A0A060GTH2_HUMAN Loading...

MHC class I antigen

AlphaFold DB (A8E0Y3), UniProt , Accession A0A060GTH2, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 273 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
1S94.9Very high98.4Very high95 Ų9537.1 Ų37.166%0.66420%0.204SC*.  0162.3038.60000107.5V102S1-V102 WeakPolarHBondContact CA-O 3.32Å; S1-V102 VanDerWaalsContact CB-O 3.3Å; S1-V102 WeakPolarHBondContact CB-O 3.45Å
2H98.2Very high98.4Very high42 Ų4235.3 Ų35.319%0.19420%0.196CC..EExtended strand (participates in β ladder)trans-138.7158.7-178.4-64.7-76.8000111.3D28 D101 V102 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.39Å; H2-D28 IonicContact CE1-OD2 2.67Å; H2-D28 IonicContact CG-OD2 3.07Å; H2-D28 IonicContact ND1-OD1 3.98Å; H2-D28 IonicContact ND1-OD2 2.96Å; H2-D28 PolarHBondContact ND1-OD2 2.67Å; H2-D101 WeakPolarHBondContact O-CA 3.27Å; H2-V102 HydrophobicContact CB-CG2 4.06Å; H2-V102 PolarHBondContact N-O 2.92Å; H2-V102 PolarHBondContact O-N 2.88Å; H2-L167 HydrophobicContact CB-CD1 4.38Å; H2-L171 HydrophobicContact CB-CD1 3.71Å; H2-L171 HydrophobicContact CB-CD2 3.97Å; H2-L171 HydrophobicContact CB-CG 4.41Å; H2-L171 VanDerWaalsContact CG-CD2 3.46Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.33Å
3S98.6Very high98.3Very high24 Ų2438.3 Ų38.317%0.16820%0.203CC..EExtended strand (participates in β ladder)trans-133.2149.8177.666.10000111.5V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.57Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.47Å; S3-D28 PolarHBondContact N-OD1 3.24Å; S3-D28 PolarHBondContact O-N 3.14Å; S3-D28 PolarHBondContact OG-OD1 3.17Å; S3-C100 WeakPolarHBondContact CA-O 3.26Å; S3-D101 WeakPolarHBondContact CB-OD1 3.46Å
4M98.9Very high97.9Very high1 Ų139.5 Ų39.51%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-122.8126.8165.5-174170.365.200108.5Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.29Å; M4-Y6 HydrophobicContact CG-CE2 4.3Å; M4-Y6 HydrophobicContact SD-CE2 4.26Å; M4-Y26 CarbonylContact C-O 3.6Å; M4-Y26 WeakPolarHBondContact CA-O 3.31Å; M4-V27 HydrophobicContact CG-CG2 4.35Å; M4-F32 HydrophobicContact CG-CE1 4.42Å; M4-F32 HydrophobicContact SD-CZ 4.34Å; M4-G99 CarbonylContact O-C 3.59Å; M4-G99 WeakPolarHBondContact O-CA 3.36Å; M4-C100 PolarHBondContact N-O 3.26Å; M4-C100 PolarHBondContact O-N 2.94Å; M4-C163 HydrophobicContact CE-CB 4.14Å; M4-C163 WeakPolarHBondContact CE-O 3.32Å; M4-C163 WeakPolarHBondContact CE-SG 3.46Å; M4-W166 HydrophobicContact CE-CB 4.1Å; M4-W166 HydrophobicContact SD-CB 4.44Å; M4-L167 HydrophobicContact CB-CB 4.06Å; M4-L167 HydrophobicContact CB-CD1 4.02Å; M4-L167 HydrophobicContact CB-CD2 4.1Å; M4-L167 HydrophobicContact CB-CG 4.27Å; M4-L167 HydrophobicContact CE-CB 4.44Å; M4-L167 HydrophobicContact SD-CB 4.42Å; M4-Y170 HydrophobicContact SD-CD2 3.72Å; M4-Y170 HydrophobicContact SD-CE2 3.54Å; M4-Y170 VanDerWaalsContact SD-CE2 3.54Å
5R98.8Very high97.7Very high47 Ų4742.8 Ų42.818%0.17726%0.261CS..EExtended strand (participates in β ladder)trans-132.9138.1-177.4-57.5-62.9178.778.55.1111F7 G25 Y26 Y98 D101R5-F7 HydrophobicContact CB-CD2 4.36Å; R5-F7 HydrophobicContact CB-CE2 3.55Å; R5-F7 HydrophobicContact CB-CZ 3.83Å; R5-F7 HydrophobicContact CG-CZ 4.43Å; R5-G25 CarbonylContact O-C 3.58Å; R5-G25 WeakPolarHBondContact O-CA 3.11Å; R5-Y26 PolarHBondContact N-O 2.62Å; R5-Y26 PolarHBondContact O-N 2.86Å; R5-Y98 WeakPolarHBondContact CA-O 3.41Å; R5-D101 IonicContact CZ-OD1 3.23Å; R5-D101 IonicContact NE-OD1 3.06Å; R5-D101 PolarHBondContact NE-OD1 3.35Å; R5-D101 IonicContact NH2-OD1 3.4Å; R5-D101 PolarHBondContact NH2-OD1 3.12Å; R5-D101 IonicContact NH2-OD2 2.94Å; R5-D101 PolarHBondContact NH2-OD2 2.78Å
6Y98.9Very high97.5Very high7 Ų753.1 Ų53.13%0.02729%0.294CS..EExtended strand (participates in β ladder)trans-111.2137.1166.6-70.6-92.3000109.2M4 Y8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.29Å; M4-Y6 HydrophobicContact CG-CE2 4.3Å; M4-Y6 HydrophobicContact SD-CE2 4.26Å; Y6-Y8 HydrophobicContact CD1-CE1 4.33Å; Y6-V24 WeakPolarHBondContact CA-O 3.31Å; Y6-F32 HydrophobicContact CE1-CZ 4.18Å; Y6-F32 AromaticContact CZ-CZ 3.85Å; Y6-V33 HydrophobicContact CE1-CG2 4.08Å; Y6-M97 WeakPolarHBondContact O-CA 3.33Å; Y6-Y98 AromaticContact CD2-CE2 3.72Å; Y6-Y98 HydrophobicContact CD2-CE2 3.72Å; Y6-Y98 AromaticContact CD2-CZ 3.86Å; Y6-Y98 HydrophobicContact CG-CE1 4.39Å; Y6-Y98 HydrophobicContact CG-CE2 4.17Å; Y6-Y98 AromaticContact CG-CZ 3.83Å; Y6-Y98 PolarHBondContact N-O 3.18Å; Y6-Y98 PolarHBondContact O-N 3.19Å
7F98.9Very high97.2Very high84 Ų8453.4 Ų53.437%0.36831%0.311SS..EExtended strand (participates in β ladder)trans-122.7119177.5-57.2-94000109.1R5 A23 V24 Y26 I96 M97R5-F7 HydrophobicContact CB-CD2 4.36Å; R5-F7 HydrophobicContact CB-CE2 3.55Å; R5-F7 HydrophobicContact CB-CZ 3.83Å; R5-F7 HydrophobicContact CG-CZ 4.43Å; F7-A23 WeakPolarHBondContact O-CA 3.46Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.28Å; F7-V24 PolarHBondContact N-O 3.3Å; F7-V24 PolarHBondContact O-N 3.43Å; F7-Y26 HydrophobicContact CD2-CD2 4.06Å; F7-Y26 HydrophobicContact CE2-CD2 4.04Å; F7-I96 CarbonylContact C-O 3.47Å; F7-I96 WeakPolarHBondContact CA-O 3.24Å; F7-M97 HydrophobicContact CD1-CB 4.07Å; F7-M97 HydrophobicContact CD1-CG 3.68Å; F7-M97 HydrophobicContact CE1-CB 4.22Å; F7-M97 HydrophobicContact CE1-CG 3.41Å; F7-M97 VanDerWaalsContact CE1-CG 3.41Å; F7-M97 HydrophobicContact CZ-CG 4.11Å
8Y98.8Very high97.1Very high9 Ų955.7 Ų55.74%0.03532%0.319CS..EExtended strand (participates in β ladder)trans-109.1142.7175.8-54.2-21.7000110Y6 F21 I22 A23 Q69 Q95 I96 Y98Y6-Y8 HydrophobicContact CD1-CE1 4.33Å; Y8-F21 HydrophobicContact CD1-CZ 4.08Å; Y8-F21 HydrophobicContact CD2-CE2 4.28Å; Y8-F21 HydrophobicContact CD2-CZ 4.02Å; Y8-F21 HydrophobicContact CE2-CZ 4.43Å; Y8-F21 HydrophobicContact CG-CE2 4.15Å; Y8-F21 AromaticContact CG-CZ 3.81Å; Y8-F21 HydrophobicContact CG-CZ 3.81Å; Y8-I22 CarbonylContact C-O 3.59Å; Y8-I22 WeakPolarHBondContact CA-O 3.16Å; Y8-A23 HydrophobicContact CD1-CB 3.31Å; Y8-A23 HydrophobicContact CE1-CB 3.38Å; Y8-A23 HydrophobicContact CG-CB 4.36Å; Y8-Q69 HydrophobicContact CD2-CG 3.75Å; Y8-Q69 HydrophobicContact CE2-CB 4.47Å; Y8-Q69 HydrophobicContact CE2-CG 3.77Å; Y8-Q95 VanDerWaalsContact O-CA 3.32Å; Y8-Q95 WeakPolarHBondContact O-CA 3.46Å; Y8-I96 HydrophobicContact CD2-CB 4.42Å; Y8-I96 HydrophobicContact CD2-CD1 4.42Å; Y8-I96 PolarHBondContact N-O 2.8Å; Y8-I96 PolarHBondContact O-N 2.8Å; Y8-Y98 HydrophobicContact CD2-CE1 4.19Å; Y8-Y98 HydrophobicContact CE1-CE1 4.32Å; Y8-Y98 AromaticContact CE2-CE1 3.52Å; Y8-Y98 HydrophobicContact CE2-CE1 3.52Å; Y8-Y98 AromaticContact CZ-CE1 3.62Å; Y8-Y98 AromaticContact CZ-CZ 3.99Å; Y8-Y98 PolarHBondContact OH-OH 3.1Å
9T98.9Very high97.1Very high46 Ų4654.3 Ų54.328%0.28231%0.312SS..EExtended strand (participates in β ladder)trans-137.5122.2174.1-54.90000108.6V11 F21 I22 T93 I94 Q95T9-V11 HydrophobicContact CG2-CG2 3.91Å; T9-F21 WeakPolarHBondContact O-CA 3.22Å; T9-I22 PolarHBondContact N-O 2.91Å; T9-I22 PolarHBondContact O-N 2.68Å; T9-T93 HydrophobicContact CG2-CG2 3.97Å; T9-I94 WeakPolarHBondContact CA-O 3.36Å; T9-Q95 HydrophobicContact CG2-CG 4.31Å
10S98.8Very high97.2Very high2 Ų256 Ų561%0.01431%0.313CS..EExtended strand (participates in β ladder)trans-117.3120.1176.3-730000109.7R20 F21 D73 T93 I94S10-R20 CarbonylContact C-O 3.59Å; S10-R20 VanDerWaalsContact CA-O 3.32Å; S10-R20 WeakPolarHBondContact CA-O 3.19Å; S10-F21 WeakPolarHBondContact OG-CD2 3.43Å; S10-D73 WeakPolarHBondContact CB-OD2 3.47Å; S10-D73 WeakPolarHBondContact OG-CB 3.34Å; S10-D73 PolarHBondContact OG-OD2 2.83Å; S10-T93 CarbonylContact O-C 3.59Å; S10-T93 VanDerWaalsContact O-CA 3.29Å; S10-T93 WeakPolarHBondContact O-CA 3.36Å; S10-I94 PolarHBondContact N-O 2.9Å; S10-I94 PolarHBondContact O-N 3.1Å
11V98.7Very high97.2Very high51 Ų5153.5 Ų53.531%0.30930%0.299SS..EExtended strand (participates in β ladder)trans-119.3114.2-176.5-174.30000109.6T9 P19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 3.91Å; V11-P19 CarbonylContact O-C 3.59Å; V11-P19 WeakPolarHBondContact O-CA 3.43Å; V11-R20 PolarHBondContact N-O 2.99Å; V11-R20 PolarHBondContact O-N 2.72Å; V11-H92 WeakPolarHBondContact CA-O 3.32Å; V11-T93 HydrophobicContact CG2-CG2 4.15Å
12S98.2Very high97.4Very high16 Ų1651.1 Ų51.111%0.11228%0.278CS..  trans-70.4146173.377.10000110.4S91 H92S12-S91 WeakPolarHBondContact O-CB 2.84Å; S12-S91 PolarHBondContact O-OG 2.87Å; S12-H92 PolarHBondContact N-O 3.03Å; S12-H92 PolarHBondContact OG-N 2.99Å; S12-H92 PolarHBondContact OG-O 2.97Å
13R96.8Very high97.5Very high74 Ų7449.2 Ų49.228%0.27927%0.269SS..  trans-14270.9-178.651.9175.2175.3-162.2-8.4111G15 R16 E18 D38R13-G15 PolarHBondContact O-N 3.09Å; R13-R16 HydrophobicContact CB-CB 4.13Å; R13-R16 WeakPolarHBondContact CD-O 3.33Å; R13-R16 HydrophobicContact CG-CB 4.18Å; R13-R16 PolarHBondContact NE-O 3.35Å; R13-R16 WeakPolarHBondContact O-CA 3.22Å; R13-R16 PolarHBondContact O-N 3.06Å; R13-E18 PolarHBondContact NE-O 3Å; R13-E18 PolarHBondContact NH2-O 3.25Å; R13-D38 IonicContact CZ-OD1 2.72Å; R13-D38 IonicContact CZ-OD2 3.52Å; R13-D38 IonicContact NH1-OD1 3.48Å; R13-D38 IonicContact NH1-OD2 3.5Å; R13-D38 PolarHBondContact NH1-OD2 2.87Å; R13-D38 IonicContact NH2-OD1 2.76Å; R13-D38 PolarHBondContact NH2-OD1 2.93Å; R13-D38 IonicContact NH2-OD2 3.24Å
14P93.9Very high97.5Very high55 Ų5549.5 Ų49.536%0.35727%0.27SS..THydrogen-bonded Turntrans-48.1133.6-177.7-27.235.1000112.3R16 E88 G90P14-R16 PolarHBondContact O-N 2.93Å; P14-E88 WeakPolarHBondContact CB-O 3.45Å; P14-E88 WeakPolarHBondContact CG-O 3.38Å; P14-G90 VanDerWaalsContact CG-O 3.28Å; P14-G90 WeakPolarHBondContact CG-O 3.48Å
15G93.6Very high97.5Very high89 Ų8949.4 Ų49.492%0.91827%0.27SS*.THydrogen-bonded Turntrans74.70-176.500000116.1R13R13-G15 PolarHBondContact O-N 3.09Å
16R94.7Very high97.5Very high208 Ų20850.5 Ų50.579%0.78527%0.274SS*.SBendtrans-124.824.1179.8-58.2-174.7-179.7-177.80.9113.6R13 P14R13-R16 HydrophobicContact CB-CB 4.13Å; R13-R16 WeakPolarHBondContact CD-O 3.33Å; R13-R16 HydrophobicContact CG-CB 4.18Å; R13-R16 PolarHBondContact NE-O 3.35Å; R13-R16 WeakPolarHBondContact O-CA 3.22Å; R13-R16 PolarHBondContact O-N 3.06Å; P14-R16 PolarHBondContact O-N 2.93Å
17G92.9Very high97.5Very high58 Ų5850.1 Ų50.160%0.59827%0.273SS*.SBendtrans94.5-164.3179.400000113.6
18E94.9Very high97.4Very high94 Ų9447.6 Ų47.644%0.43926%0.263SS..SBendtrans-68.4155.5-178.1-63.8-58.5161.900112.6R13 R20 R74R13-E18 PolarHBondContact NE-O 3Å; R13-E18 PolarHBondContact NH2-O 3.25Å; E18-R20 PolarHBondContact O-N 3.29Å; E18-R74 VanDerWaalsContact CD-NH1 3.25Å; E18-R74 IonicContact OE1-CZ 3.39Å; E18-R74 IonicContact OE1-NE 2.76Å; E18-R74 IonicContact OE1-NH1 3.73Å; E18-R74 PolarHBondContact OE1-NH1 2.93Å; E18-R74 IonicContact OE1-NH2 2.72Å; E18-R74 PolarHBondContact OE1-NH2 2.94Å; E18-R74 WeakPolarHBondContact OE2-CD 3.49Å; E18-R74 IonicContact OE2-CZ 3.28Å; E18-R74 IonicContact OE2-NE 3.52Å; E18-R74 PolarHBondContact OE2-NE 3.02Å; E18-R74 IonicContact OE2-NH1 2.86Å; E18-R74 PolarHBondContact OE2-NH1 3.34Å; E18-R74 IonicContact OE2-NH2 3.51Å; E18-R74 PolarHBondContact OE2-NH2 3.42Å
19P97.6Very high97.4Very high29 Ų2950.3 Ų50.319%0.18828%0.278CS..PPolyproline II helixtrans-51.4135.5173.1-25.734.6000111.9V11 R74 L77V11-P19 CarbonylContact O-C 3.59Å; V11-P19 WeakPolarHBondContact O-CA 3.43Å; P19-R74 HydrophobicContact CG-CB 4.46Å; P19-R74 HydrophobicContact CG-CG 4.26Å; P19-L77 HydrophobicContact CB-CD1 3.55Å; P19-L77 HydrophobicContact CG-CD1 3.64Å
20R98.4Very high97.3Very high89 Ų8949.5 Ų49.534%0.33627%0.273SS..EExtended strand (participates in β ladder)trans-79.9128173.9-175.6-178.4-175.9-179.1-0.4108.8S10 V11 E18 I22 D36 S37 D38S10-R20 CarbonylContact C-O 3.59Å; S10-R20 VanDerWaalsContact CA-O 3.32Å; S10-R20 WeakPolarHBondContact CA-O 3.19Å; V11-R20 PolarHBondContact N-O 2.99Å; V11-R20 PolarHBondContact O-N 2.72Å; E18-R20 PolarHBondContact O-N 3.29Å; R20-I22 HydrophobicContact CG-CG1 4.39Å; R20-D36 IonicContact CZ-OD1 3.86Å; R20-D36 IonicContact CZ-OD2 3.54Å; R20-D36 IonicContact NE-OD1 2.71Å; R20-D36 PolarHBondContact NE-OD1 2.88Å; R20-D36 IonicContact NE-OD2 2.97Å; R20-D36 IonicContact NH2-OD1 2.68Å; R20-D36 PolarHBondContact NH2-OD1 3.11Å; R20-D36 IonicContact NH2-OD2 3.94Å; R20-D36 PolarHBondContact NH2-OD2 2.89Å; R20-S37 WeakPolarHBondContact CA-OG 3.49Å; R20-D38 VanDerWaalsContact CD-OD2 3.29Å; R20-D38 WeakPolarHBondContact CD-OD2 3.31Å; R20-D38 HydrophobicContact CG-CB 4.46Å; R20-D38 IonicContact NE-OD2 3.88Å
21F98.8Very high97.3Very high3 Ų352 Ų521%0.01329%0.285CS..EExtended strand (participates in β ladder)trans-110.3124.8175.6177.4-85.2000109.7Y8 T9 S10 A23 F35 S37 V66 Q69 S70 D73Y8-F21 HydrophobicContact CD1-CZ 4.08Å; Y8-F21 HydrophobicContact CD2-CE2 4.28Å; Y8-F21 HydrophobicContact CD2-CZ 4.02Å; Y8-F21 HydrophobicContact CE2-CZ 4.43Å; Y8-F21 HydrophobicContact CG-CE2 4.15Å; Y8-F21 AromaticContact CG-CZ 3.81Å; Y8-F21 HydrophobicContact CG-CZ 3.81Å; T9-F21 WeakPolarHBondContact O-CA 3.22Å; S10-F21 WeakPolarHBondContact OG-CD2 3.43Å; F21-A23 HydrophobicContact CE1-CB 3.59Å; F21-A23 HydrophobicContact CZ-CB 3.95Å; F21-F35 AromaticContact CD1-CD1 3.66Å; F21-F35 HydrophobicContact CD1-CD1 3.66Å; F21-F35 AromaticContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CD1-CE1 3.77Å; F21-F35 AromaticContact CE1-CD1 3.96Å; F21-F35 HydrophobicContact CE1-CD1 3.96Å; F21-F35 HydrophobicContact CE1-CE1 4.36Å; F21-S37 PolarHBondContact N-OG 2.85Å; F21-S37 PolarHBondContact O-N 2.96Å; F21-S37 PolarHBondContact O-OG 2.89Å; F21-V66 HydrophobicContact CE1-CB 4Å; F21-Q69 HydrophobicContact CE2-CB 4.24Å; F21-Q69 HydrophobicContact CE2-CG 3.79Å; F21-Q69 HydrophobicContact CZ-CB 4.13Å; F21-Q69 HydrophobicContact CZ-CG 3.98Å; F21-S70 VanDerWaalsContact CG-CB 3.44Å; F21-D73 HydrophobicContact CD2-CB 4.5Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.43Å
22I98.8Very high97.3Very high46 Ų4649.6 Ų49.624%0.23627%0.27CS..EExtended strand (participates in β ladder)trans-121.1134172.5-64.8160.9000108.2Y8 T9 R20 V24 F35Y8-I22 CarbonylContact C-O 3.59Å; Y8-I22 WeakPolarHBondContact CA-O 3.16Å; T9-I22 PolarHBondContact N-O 2.91Å; T9-I22 PolarHBondContact O-N 2.68Å; R20-I22 HydrophobicContact CG-CG1 4.39Å; I22-V24 HydrophobicContact CG2-CG1 4.38Å; I22-F35 WeakPolarHBondContact CA-O 3.44Å
23A98.8Very high97.3Very high1 Ų148.9 Ų48.91%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-125.9137.6171.500000110.4F7 Y8 F21 R34 F35 V66F7-A23 WeakPolarHBondContact O-CA 3.46Å; Y8-A23 HydrophobicContact CD1-CB 3.31Å; Y8-A23 HydrophobicContact CE1-CB 3.38Å; Y8-A23 HydrophobicContact CG-CB 4.36Å; F21-A23 HydrophobicContact CE1-CB 3.59Å; F21-A23 HydrophobicContact CZ-CB 3.95Å; A23-R34 CarbonylContact O-C 3.58Å; A23-R34 VanDerWaalsContact O-CA 3.3Å; A23-R34 WeakPolarHBondContact O-CA 3.19Å; A23-F35 HydrophobicContact CB-CB 4.27Å; A23-F35 PolarHBondContact N-O 2.8Å; A23-F35 PolarHBondContact O-N 3.03Å; A23-V66 HydrophobicContact CB-CG1 4.16Å
24V98.9Very high97.4Very high30 Ų3049.6 Ų49.618%0.18227%0.268CS..EExtended strand (participates in β ladder)trans-134144.1172.5-62.60000110.1Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 WeakPolarHBondContact CA-O 3.31Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.28Å; F7-V24 PolarHBondContact N-O 3.3Å; F7-V24 PolarHBondContact O-N 3.43Å; I22-V24 HydrophobicContact CG2-CG1 4.38Å; V24-Y26 HydrophobicContact CB-CE2 4.13Å; V24-Y26 HydrophobicContact CG2-CD2 4.31Å; V24-Y26 HydrophobicContact CG2-CE2 3.82Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.27Å; V24-V33 WeakPolarHBondContact CA-O 3.46Å; V24-R34 HydrophobicContact CG1-CB 4.38Å; V24-R34 HydrophobicContact CG1-CG 4.2Å
25G98.8Very high97.7Very high0 Ų047 Ų470%025%0.251CS..EExtended strand (participates in β ladder)trans-118.5138.4176.500000110.8R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.58Å; R5-G25 WeakPolarHBondContact O-CA 3.11Å; G25-Q31 WeakPolarHBondContact O-CA 3.35Å; G25-F32 WeakPolarHBondContact O-CD1 3.35Å; G25-F32 PolarHBondContact O-N 3.3Å; G25-V33 PolarHBondContact N-O 2.99Å; G25-V33 VanDerWaalsContact N-O 3.14Å
26Y98.9Very high97.9Very high69 Ų6943.5 Ų43.527%0.27121%0.211SC..EExtended strand (participates in β ladder)trans-125.6141.8178.6-78-102.4000111M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.6Å; M4-Y26 WeakPolarHBondContact CA-O 3.31Å; R5-Y26 PolarHBondContact N-O 2.62Å; R5-Y26 PolarHBondContact O-N 2.86Å; F7-Y26 HydrophobicContact CD2-CD2 4.06Å; F7-Y26 HydrophobicContact CE2-CD2 4.04Å; V24-Y26 HydrophobicContact CB-CE2 4.13Å; V24-Y26 HydrophobicContact CG2-CD2 4.31Å; V24-Y26 HydrophobicContact CG2-CE2 3.82Å; Y26-T30 WeakPolarHBondContact CA-O 3.41Å; Y26-T30 VanDerWaalsContact CD1-C 3.5Å; Y26-Q31 HydrophobicContact CD1-CB 4.1Å; Y26-Q31 HydrophobicContact CD2-CG 4.4Å; Y26-Q31 HydrophobicContact CE1-CB 3.59Å; Y26-Q31 HydrophobicContact CE1-CG 4.36Å; Y26-Q31 HydrophobicContact CE2-CB 4.05Å; Y26-Q31 HydrophobicContact CE2-CG 3.89Å
27V98.8Very high98.1Very high0 Ų034.4 Ų34.40%018%0.179CC..EExtended strand (participates in β ladder)trans-110.5118.4156.2177.10000106.3S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.57Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.47Å; M4-V27 HydrophobicContact CG-CG2 4.35Å; V27-D29 PolarHBondContact O-N 3.01Å; V27-T30 PolarHBondContact N-O 3.19Å; V27-T30 WeakPolarHBondContact O-CB 3.44Å; V27-T30 PolarHBondContact O-N 3.13Å; V27-F32 HydrophobicContact CG2-CD1 4.07Å; V27-F32 HydrophobicContact CG2-CE1 4.11Å; V27-W50 HydrophobicContact CG2-CH2 3.93Å; V27-W50 HydrophobicContact CG2-CZ2 4.4Å; V27-L167 HydrophobicContact CB-CD1 4.5Å; V27-L167 HydrophobicContact CG1-CD1 3.59Å; V27-L167 HydrophobicContact CG2-CD1 4.2Å; V27-Y170 HydrophobicContact CG2-CD2 3.96Å; V27-L171 HydrophobicContact CG1-CD2 4.09Å; V27-L178 HydrophobicContact CB-CD1 4.27Å; V27-L178 HydrophobicContact CB-CD2 4.04Å; V27-L178 HydrophobicContact CG1-CD1 3.92Å; V27-L178 HydrophobicContact CG1-CD2 4.02Å; V27-L178 HydrophobicContact CG1-CG 4.47Å
28D97.9Very high98.3Very high31 Ų3135.1 Ų35.117%0.16617%0.169CC..THydrogen-bonded Turntrans48.2-124.4-166.6-52.3-41.5000110.9H2 S3 T30H2-D28 WeakPolarHBondContact CA-OD1 3.39Å; H2-D28 IonicContact CE1-OD2 2.67Å; H2-D28 IonicContact CG-OD2 3.07Å; H2-D28 IonicContact ND1-OD1 3.98Å; H2-D28 IonicContact ND1-OD2 2.96Å; H2-D28 PolarHBondContact ND1-OD2 2.67Å; S3-D28 PolarHBondContact N-OD1 3.24Å; S3-D28 PolarHBondContact O-N 3.14Å; S3-D28 PolarHBondContact OG-OD1 3.17Å; D28-T30 VanDerWaalsContact C-N 3.33Å
29D97.8Very high98.4Very high66 Ų6632.1 Ų32.135%0.35316%0.161SC..THydrogen-bonded Turntrans-91.89.5179.3-64-51.6000113.5V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 3.01Å; D29-Y208 HydrophobicContact CB-CE2 3.85Å; D29-P209 WeakPolarHBondContact OD2-CB 3.3Å; D29-A210 WeakPolarHBondContact OD2-CB 3.42Å; D29-A210 PolarHBondContact OD2-N 2.88Å; D29-F240 HydrophobicContact CB-CE2 3.81Å; D29-F240 HydrophobicContact CB-CZ 3.76Å
30T98.1Very high98.3Very high28 Ų2836.3 Ų36.317%0.17220%0.198CC..EExtended strand (participates in β ladder)trans-105.6113.2-177.1-61.60000111.7Y26 V27 D28 F32 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.41Å; Y26-T30 VanDerWaalsContact CD1-C 3.5Å; V27-T30 PolarHBondContact N-O 3.19Å; V27-T30 WeakPolarHBondContact O-CB 3.44Å; V27-T30 PolarHBondContact O-N 3.13Å; D28-T30 VanDerWaalsContact C-N 3.33Å; T30-F32 PolarHBondContact O-N 2.95Å; T30-L178 HydrophobicContact CG2-CD2 4Å; T30-Y208 PolarHBondContact OG1-OH 3.09Å
31Q98.4Very high97.9Very high55 Ų5534.9 Ų34.926%0.25720%0.201SC..EExtended strand (participates in β ladder)trans-68.7130.3172.4-168.4179.31.500110.5V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.27Å; G25-Q31 WeakPolarHBondContact O-CA 3.35Å; Y26-Q31 HydrophobicContact CD1-CB 4.1Å; Y26-Q31 HydrophobicContact CD2-CG 4.4Å; Y26-Q31 HydrophobicContact CE1-CB 3.59Å; Y26-Q31 HydrophobicContact CE1-CG 4.36Å; Y26-Q31 HydrophobicContact CE2-CB 4.05Å; Y26-Q31 HydrophobicContact CE2-CG 3.89Å; Q31-V33 PolarHBondContact NE2-O 2.94Å; Q31-R47 HydrophobicContact CG-CB 4.16Å; Q31-R47 HydrophobicContact CG-CG 4.39Å
32F98.6Very high97.8Very high0 Ų038.6 Ų38.60%022%0.219CC..EExtended strand (participates in β ladder)trans-119.9-22.6-179.574.9-83.8000114.6M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.42Å; M4-F32 HydrophobicContact SD-CZ 4.34Å; Y6-F32 HydrophobicContact CE1-CZ 4.18Å; Y6-F32 AromaticContact CZ-CZ 3.85Å; G25-F32 WeakPolarHBondContact O-CD1 3.35Å; G25-F32 PolarHBondContact O-N 3.3Å; V27-F32 HydrophobicContact CG2-CD1 4.07Å; V27-F32 HydrophobicContact CG2-CE1 4.11Å; T30-F32 PolarHBondContact O-N 2.95Å; F32-R47 PolarHBondContact O-N 2.82Å; F32-A48 HydrophobicContact CB-CB 4.09Å; F32-W50 HydrophobicContact CB-CH2 3.15Å; F32-W50 HydrophobicContact CB-CZ2 3.31Å; F32-W50 HydrophobicContact CB-CZ3 4.01Å; F32-W50 HydrophobicContact CD1-CH2 4.02Å; F32-W50 AromaticContact CD2-CH2 3.72Å; F32-W50 HydrophobicContact CD2-CH2 3.72Å; F32-W50 HydrophobicContact CD2-CZ3 4.04Å; F32-W50 AromaticContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CZ2 4.03Å; F32-W50 HydrophobicContact CG-CZ3 4.17Å; F32-I51 HydrophobicContact CD2-CB 4.43Å; F32-I51 HydrophobicContact CD2-CD1 3.98Å; F32-I51 HydrophobicContact CD2-CG1 4.03Å; F32-I51 HydrophobicContact CE2-CD1 4.3Å; F32-I51 VanDerWaalsContact O-CG2 3.3Å; F32-I51 WeakPolarHBondContact O-CG2 3.19Å; F32-Y170 HydrophobicContact CE2-CD2 4.35Å; F32-Y170 AromaticContact CE2-CE2 3.72Å; F32-Y170 HydrophobicContact CE2-CE2 3.72Å; F32-Y170 HydrophobicContact CZ-CD2 4.39Å; F32-Y170 AromaticContact CZ-CE2 3.86Å; F32-Y170 HydrophobicContact CZ-CE2 3.86Å
33V98.7Very high97.8Very high1 Ų143.6 Ų43.61%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-141.2156.1176.7-71.60000113.1Y6 V24 G25 Q31 M44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 4.08Å; V24-V33 WeakPolarHBondContact CA-O 3.46Å; G25-V33 PolarHBondContact N-O 2.99Å; G25-V33 VanDerWaalsContact N-O 3.14Å; Q31-V33 PolarHBondContact NE2-O 2.94Å; V33-M44 HydrophobicContact CB-CG 4.08Å; V33-M44 HydrophobicContact CB-SD 3.66Å; V33-M44 HydrophobicContact CG1-CG 4.16Å; V33-M44 HydrophobicContact CG1-SD 4.38Å; V33-M44 HydrophobicContact CG2-SD 4.03Å; V33-E45 VanDerWaalsContact CA-O 3.31Å; V33-E45 WeakPolarHBondContact CA-O 3.44Å; V33-I51 HydrophobicContact CG1-CG1 4.35Å; V33-W59 HydrophobicContact CG1-CH2 4.03Å; V33-W59 HydrophobicContact CG1-CZ3 3.83Å
34R98.6Very high97.8Very high89 Ų8943.9 Ų43.934%0.33624%0.236SC..EExtended strand (participates in β ladder)trans-145.7142.6171.7177.2170.7168.1174.6-1111.8A23 V24 D36 M44 E45 R47A23-R34 CarbonylContact O-C 3.58Å; A23-R34 VanDerWaalsContact O-CA 3.3Å; A23-R34 WeakPolarHBondContact O-CA 3.19Å; V24-R34 HydrophobicContact CG1-CB 4.38Å; V24-R34 HydrophobicContact CG1-CG 4.2Å; R34-D36 IonicContact NH2-OD2 2.79Å; R34-D36 PolarHBondContact NH2-OD2 3.37Å; R34-M44 VanDerWaalsContact C-SD 3.51Å; R34-E45 PolarHBondContact N-O 2.72Å; R34-E45 PolarHBondContact O-N 2.88Å; R34-R47 HydrophobicContact CB-CG 3.98Å
35F98.8Very high97.7Very high2 Ų245.4 Ų45.41%0.00924%0.241CC..EExtended strand (participates in β ladder)trans-128.1145.5163.6175.5-83.5000109.8F21 I22 A23 Q42 R43 M44 V66 K67F21-F35 AromaticContact CD1-CD1 3.66Å; F21-F35 HydrophobicContact CD1-CD1 3.66Å; F21-F35 AromaticContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CD1-CE1 3.77Å; F21-F35 AromaticContact CE1-CD1 3.96Å; F21-F35 HydrophobicContact CE1-CD1 3.96Å; F21-F35 HydrophobicContact CE1-CE1 4.36Å; I22-F35 WeakPolarHBondContact CA-O 3.44Å; A23-F35 HydrophobicContact CB-CB 4.27Å; A23-F35 PolarHBondContact N-O 2.8Å; A23-F35 PolarHBondContact O-N 3.03Å; F35-Q42 VanDerWaalsContact CE2-C 3.47Å; F35-Q42 HydrophobicContact CE2-CB 4.22Å; F35-Q42 WeakPolarHBondContact CE2-O 3.47Å; F35-Q42 HydrophobicContact CZ-CB 4.24Å; F35-R43 WeakPolarHBondContact CD2-O 3.42Å; F35-M44 HydrophobicContact CB-CE 4.26Å; F35-M44 HydrophobicContact CB-SD 3.97Å; F35-V66 HydrophobicContact CB-CB 4.47Å; F35-V66 HydrophobicContact CB-CG2 3.93Å; F35-V66 HydrophobicContact CD1-CB 4.37Å; F35-V66 HydrophobicContact CD1-CG2 4.01Å; F35-V66 HydrophobicContact CD2-CB 4.44Å; F35-V66 HydrophobicContact CD2-CG2 3.3Å; F35-V66 HydrophobicContact CE1-CG2 4.36Å; F35-V66 HydrophobicContact CE2-CG2 3.7Å; F35-V66 HydrophobicContact CG-CB 4.19Å; F35-V66 HydrophobicContact CG-CG2 3.47Å; F35-V66 VanDerWaalsContact CG-CG2 3.47Å; F35-V66 HydrophobicContact CZ-CG2 4.23Å; F35-K67 HydrophobicContact CE2-CG 4.09Å; F35-K67 HydrophobicContact CZ-CG 3.97Å
36D98.6Very high97.7Very high15 Ų1547.6 Ų47.68%0.0826%0.255CS..EExtended strand (participates in β ladder)trans-141.5120.2175.8-165.3-27.4000109.1R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.86Å; R20-D36 IonicContact CZ-OD2 3.54Å; R20-D36 IonicContact NE-OD1 2.71Å; R20-D36 PolarHBondContact NE-OD1 2.88Å; R20-D36 IonicContact NE-OD2 2.97Å; R20-D36 IonicContact NH2-OD1 2.68Å; R20-D36 PolarHBondContact NH2-OD1 3.11Å; R20-D36 IonicContact NH2-OD2 3.94Å; R20-D36 PolarHBondContact NH2-OD2 2.89Å; R34-D36 IonicContact NH2-OD2 2.79Å; R34-D36 PolarHBondContact NH2-OD2 3.37Å; D36-D38 PolarHBondContact O-N 2.81Å; D36-D38 PolarHBondContact OD1-N 3.18Å; D36-D38 VanDerWaalsContact OD1-N 3.13Å; D36-A39 HydrophobicContact CB-CB 4.2Å; D36-A39 WeakPolarHBondContact O-CB 3.33Å; D36-A39 PolarHBondContact O-N 2.89Å; D36-A39 VanDerWaalsContact O-N 3.12Å
37S98.3Very high97.7Very high17 Ų1749.6 Ų49.612%0.11926%0.262CS..THydrogen-bonded Turntrans-65.6-20.8-179.266.60000113.1R20 F21 Q42R20-S37 WeakPolarHBondContact CA-OG 3.49Å; F21-S37 PolarHBondContact N-OG 2.85Å; F21-S37 PolarHBondContact O-N 2.96Å; F21-S37 PolarHBondContact O-OG 2.89Å; S37-Q42 PolarHBondContact O-NE2 2.83Å
38D97.7Very high97.6Very high72 Ų7249.8 Ų49.839%0.38526%0.264SS..THydrogen-bonded Turntrans-87.3-6.6177.9-75.34.5000112.5R13 R20 D36R13-D38 IonicContact CZ-OD1 2.72Å; R13-D38 IonicContact CZ-OD2 3.52Å; R13-D38 IonicContact NH1-OD1 3.48Å; R13-D38 IonicContact NH1-OD2 3.5Å; R13-D38 PolarHBondContact NH1-OD2 2.87Å; R13-D38 IonicContact NH2-OD1 2.76Å; R13-D38 PolarHBondContact NH2-OD1 2.93Å; R13-D38 IonicContact NH2-OD2 3.24Å; R20-D38 VanDerWaalsContact CD-OD2 3.29Å; R20-D38 WeakPolarHBondContact CD-OD2 3.31Å; R20-D38 HydrophobicContact CG-CB 4.46Å; R20-D38 IonicContact NE-OD2 3.88Å; D36-D38 PolarHBondContact O-N 2.81Å; D36-D38 PolarHBondContact OD1-N 3.18Å; D36-D38 VanDerWaalsContact OD1-N 3.13Å
39A96.9Very high97.6Very high32 Ų3253.2 Ų53.226%0.26429%0.288SS..SBendtrans-70.6147.5175.200000111.3D36 S41 Q42D36-A39 HydrophobicContact CB-CB 4.2Å; D36-A39 WeakPolarHBondContact O-CB 3.33Å; D36-A39 PolarHBondContact O-N 2.89Å; D36-A39 VanDerWaalsContact O-N 3.12Å; A39-S41 VanDerWaalsContact C-N 3.32Å; A39-S41 PolarHBondContact O-N 3.33Å; A39-Q42 WeakPolarHBondContact O-CG 3.38Å; A39-Q42 PolarHBondContact O-N 2.82Å
40A95.4Very high97.6Very high117 Ų11750.9 Ų50.997%0.96727%0.274SS*.SBendtrans-62.9-35.2-178.100000113.7
41S91.5Very high97.6Very high58 Ų5849.5 Ų49.541%0.40627%0.266SS..SBendtrans-83.3-26.9-179.258.70000113A39 R43 E45A39-S41 VanDerWaalsContact C-N 3.32Å; A39-S41 PolarHBondContact O-N 3.33Å; S41-R43 VanDerWaalsContact C-N 3.34Å; S41-R43 WeakPolarHBondContact O-CG 3.43Å; S41-R43 PolarHBondContact O-N 2.99Å; S41-E45 PolarHBondContact OG-OE1 3.38Å
42Q96.1Very high97.5Very high81 Ų8152.9 Ų52.938%0.37928%0.282SS..  trans40.758.2-171.5-58.4-177.2-19.700112.1F35 S37 A39 K67F35-Q42 VanDerWaalsContact CE2-C 3.47Å; F35-Q42 HydrophobicContact CE2-CB 4.22Å; F35-Q42 WeakPolarHBondContact CE2-O 3.47Å; F35-Q42 HydrophobicContact CZ-CB 4.24Å; S37-Q42 PolarHBondContact O-NE2 2.83Å; A39-Q42 WeakPolarHBondContact O-CG 3.38Å; A39-Q42 PolarHBondContact O-N 2.82Å; Q42-K67 WeakPolarHBondContact O-CE 3.42Å; Q42-K67 PolarHBondContact O-NZ 3.34Å
43R98Very high97.4Very high152 Ų15258.4 Ų58.457%0.57431%0.308SS*.  trans-122.8156.8177-71.2-174.9178.1-155-4.9110.7F35 S41 E45 T63F35-R43 WeakPolarHBondContact CD2-O 3.42Å; S41-R43 VanDerWaalsContact C-N 3.34Å; S41-R43 WeakPolarHBondContact O-CG 3.43Å; S41-R43 PolarHBondContact O-N 2.99Å; R43-E45 PolarHBondContact O-N 2.94Å; R43-T63 HydrophobicContact CB-CG2 4.48Å; R43-T63 HydrophobicContact CG-CG2 4.29Å
44M98.4Very high97.4Very high7 Ų759 Ų593%0.03431%0.31CS..  trans-69.1125.1164.9-172.264.483.100107.9V33 R34 F35 W59 E62 T63 V66V33-M44 HydrophobicContact CB-CG 4.08Å; V33-M44 HydrophobicContact CB-SD 3.66Å; V33-M44 HydrophobicContact CG1-CG 4.16Å; V33-M44 HydrophobicContact CG1-SD 4.38Å; V33-M44 HydrophobicContact CG2-SD 4.03Å; R34-M44 VanDerWaalsContact C-SD 3.51Å; F35-M44 HydrophobicContact CB-CE 4.26Å; F35-M44 HydrophobicContact CB-SD 3.97Å; M44-W59 HydrophobicContact CB-CE3 4.24Å; M44-W59 HydrophobicContact CG-CE3 4.14Å; M44-W59 HydrophobicContact CG-CZ3 3.98Å; M44-E62 HydrophobicContact CB-CB 4.12Å; M44-E62 HydrophobicContact CE-CB 4.42Å; M44-E62 HydrophobicContact CG-CB 4.09Å; M44-T63 PolarHBondContact N-OG1 2.94Å; M44-V66 HydrophobicContact CE-CB 4.4Å; M44-V66 HydrophobicContact CE-CG1 3.37Å; M44-V66 HydrophobicContact CE-CG2 4.22Å
45E98.3Very high97.3Very high61 Ų6156.1 Ų56.129%0.28531%0.308SS..EExtended strand (participates in β ladder)trans-114.3140.8-174.5-65.2179.7169.100110.7V33 R34 S41 R43 R47V33-E45 VanDerWaalsContact CA-O 3.31Å; V33-E45 WeakPolarHBondContact CA-O 3.44Å; R34-E45 PolarHBondContact N-O 2.72Å; R34-E45 PolarHBondContact O-N 2.88Å; S41-E45 PolarHBondContact OG-OE1 3.38Å; R43-E45 PolarHBondContact O-N 2.94Å; E45-R47 IonicContact OE2-CZ 3.42Å; E45-R47 IonicContact OE2-NH1 3.16Å; E45-R47 PolarHBondContact OE2-NH1 3.37Å; E45-R47 IonicContact OE2-NH2 3.72Å; E45-R47 PolarHBondContact OE2-NH2 3Å
46P98.4Very high97.3Very high46 Ų4660.2 Ų60.230%0.29934%0.335SS..EExtended strand (participates in β ladder)trans-66.9146.3172.828.7-34.1000111.3I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.73Å; P46-E52 HydrophobicContact CB-CG 3.83Å; P46-E52 HydrophobicContact CG-CG 4.13Å; P46-W59 HydrophobicContact CB-CH2 3.65Å; P46-W59 HydrophobicContact CB-CZ2 4Å; P46-W59 HydrophobicContact CG-CH2 4.28Å; P46-W59 HydrophobicContact CG-CZ2 4.43Å
47R98Very high97.3Very high111 Ų11166.4 Ų66.442%0.41936%0.364SS..  trans-130-2173.5-63.4-64.3179.2-124.9-1.2113.6Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.16Å; Q31-R47 HydrophobicContact CG-CG 4.39Å; F32-R47 PolarHBondContact O-N 2.82Å; R34-R47 HydrophobicContact CB-CG 3.98Å; E45-R47 IonicContact OE2-CZ 3.42Å; E45-R47 IonicContact OE2-NH1 3.16Å; E45-R47 PolarHBondContact OE2-NH1 3.37Å; E45-R47 IonicContact OE2-NH2 3.72Å; E45-R47 PolarHBondContact OE2-NH2 3Å
48A97.3Very high97.2Very high5 Ų566.5 Ų66.54%0.04136%0.362CS..SBendtrans-135.7144.7173.500000110.9F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.09Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.21Å; A48-W50 HydrophobicContact CB-CG 4.39Å; A48-W50 HydrophobicContact CB-CZ2 4.06Å; A48-W50 PolarHBondContact O-N 3Å; A48-I51 WeakPolarHBondContact O-CG2 3.37Å; A48-I51 PolarHBondContact O-N 2.03Å
49P97.3Very high97.3Very high103 Ų10365 Ų6567%0.66935%0.351SS*.G310 helixtrans-59.1-37.5-177.1-26.534.9000113.9I51 E52P49-I51 PolarHBondContact O-N 2.83Å; P49-E52 WeakPolarHBondContact O-CB 2.93Å; P49-E52 PolarHBondContact O-N 2.98Å; P49-E52 VanDerWaalsContact O-N 3.13Å
50W97.4Very high97.4Very high16 Ų1667.3 Ų67.36%0.06136%0.359CS..G310 helixtrans-70-15.2-175.253.7-105.8000114.3V27 F32 A48 Q53 Y170 L178V27-W50 HydrophobicContact CG2-CH2 3.93Å; V27-W50 HydrophobicContact CG2-CZ2 4.4Å; F32-W50 HydrophobicContact CB-CH2 3.15Å; F32-W50 HydrophobicContact CB-CZ2 3.31Å; F32-W50 HydrophobicContact CB-CZ3 4.01Å; F32-W50 HydrophobicContact CD1-CH2 4.02Å; F32-W50 AromaticContact CD2-CH2 3.72Å; F32-W50 HydrophobicContact CD2-CH2 3.72Å; F32-W50 HydrophobicContact CD2-CZ3 4.04Å; F32-W50 AromaticContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CZ2 4.03Å; F32-W50 HydrophobicContact CG-CZ3 4.17Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.21Å; A48-W50 HydrophobicContact CB-CG 4.39Å; A48-W50 HydrophobicContact CB-CZ2 4.06Å; A48-W50 PolarHBondContact O-N 3Å; W50-Q53 WeakPolarHBondContact O-CG 3.03Å; W50-Q53 PolarHBondContact O-NE2 2.8Å; W50-Y170 HydrophobicContact CE3-CD1 4.29Å; W50-Y170 HydrophobicContact CE3-CG 4.45Å; W50-Y170 HydrophobicContact CH2-CD2 4.36Å; W50-Y170 HydrophobicContact CH2-CG 4.05Å; W50-Y170 AromaticContact CZ3-CD1 3.61Å; W50-Y170 HydrophobicContact CZ3-CD1 3.61Å; W50-Y170 HydrophobicContact CZ3-CD2 4.19Å; W50-Y170 HydrophobicContact CZ3-CE1 4.33Å; W50-Y170 AromaticContact CZ3-CG 3.54Å; W50-Y170 HydrophobicContact CZ3-CG 3.54Å; W50-L178 HydrophobicContact CD2-CD1 4.39Å; W50-L178 HydrophobicContact CH2-CD1 4.35Å; W50-L178 HydrophobicContact CZ2-CD1 3.8Å; W50-L178 HydrophobicContact CZ2-CD2 4.1Å; W50-L178 HydrophobicContact CZ2-CG 4.37Å
51I98.2Very high97.5Very high0 Ų065.4 Ų65.40%033%0.329CS..G310 helixtrans-88.5-19.1174.3-163.272000111.8F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CB 4.43Å; F32-I51 HydrophobicContact CD2-CD1 3.98Å; F32-I51 HydrophobicContact CD2-CG1 4.03Å; F32-I51 HydrophobicContact CE2-CD1 4.3Å; F32-I51 VanDerWaalsContact O-CG2 3.3Å; F32-I51 WeakPolarHBondContact O-CG2 3.19Å; V33-I51 HydrophobicContact CG1-CG1 4.35Å; P46-I51 HydrophobicContact CB-CG2 3.73Å; A48-I51 WeakPolarHBondContact O-CG2 3.37Å; A48-I51 PolarHBondContact O-N 2.03Å; P49-I51 PolarHBondContact O-N 2.83Å; I51-Q53 PolarHBondContact O-N 2.85Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; I51-E54 HydrophobicContact CD1-CG 3.66Å; I51-E54 HydrophobicContact CG1-CG 4.19Å; I51-E54 WeakPolarHBondContact O-CB 3.43Å; I51-E54 WeakPolarHBondContact O-CG 3.13Å; I51-E54 PolarHBondContact O-N 3.32Å; I51-Y58 HydrophobicContact CD1-CE1 4.11Å; I51-Y58 HydrophobicContact CG1-CE1 4.12Å; I51-W59 HydrophobicContact CB-CH2 4.44Å; I51-W59 HydrophobicContact CG1-CH2 3.74Å; I51-W59 HydrophobicContact CG1-CZ2 4.01Å; I51-W59 HydrophobicContact CG2-CH2 3.95Å; I51-W59 HydrophobicContact CG2-CZ2 4.34Å; I51-W59 WeakPolarHBondContact O-CZ2 3.26Å; I51-Y170 HydrophobicContact CD1-CD1 3.88Å; I51-Y170 HydrophobicContact CD1-CE1 3.28Å
52E97.3Very high97.8Very high126 Ų12664 Ų6459%0.58932%0.317SS*.THydrogen-bonded Turntrans-64.3-22.4-176.9-64.5-178.6-17500113.4P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.83Å; P46-E52 HydrophobicContact CG-CG 4.13Å; P49-E52 WeakPolarHBondContact O-CB 2.93Å; P49-E52 PolarHBondContact O-N 2.98Å; P49-E52 VanDerWaalsContact O-N 3.13Å; E52-E54 PolarHBondContact O-N 2.88Å
53Q96.6Very high97.9Very high115 Ų11560.8 Ų60.854%0.53730%0.302SS..THydrogen-bonded Turntrans-71.7-12.9175.370.9-173.2-3800114W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.03Å; W50-Q53 PolarHBondContact O-NE2 2.8Å; I51-Q53 PolarHBondContact O-N 2.85Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; Q53-N173 PolarHBondContact NE2-ND2 2.98Å
54E97.9Very high97.9Very high13 Ų1360.4 Ų60.46%0.06130%0.301CS..SBendtrans-66.3137.6176.5-63.9-59.6161.800110.9I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.66Å; I51-E54 HydrophobicContact CG1-CG 4.19Å; I51-E54 WeakPolarHBondContact O-CB 3.43Å; I51-E54 WeakPolarHBondContact O-CG 3.13Å; I51-E54 PolarHBondContact O-N 3.32Å; E52-E54 PolarHBondContact O-N 2.88Å; E54-Y58 HydrophobicContact CB-CD1 3.56Å; E54-Y58 HydrophobicContact CB-CE1 4.23Å; E54-Y58 HydrophobicContact CB-CG 3.76Å; E54-Y58 HydrophobicContact CG-CD1 4.05Å; E54-Y58 HydrophobicContact CG-CE1 4.31Å; E54-Y58 HydrophobicContact CG-CG 4.17Å; E54-W59 PolarHBondContact O-NE1 2.89Å; E54-R169 IonicContact OE1-CZ 2.77Å; E54-R169 IonicContact OE1-NE 3.34Å; E54-R169 PolarHBondContact OE1-NE 3.28Å; E54-R169 IonicContact OE1-NH2 3.54Å; E54-R169 PolarHBondContact OE1-NH2 3.23Å; E54-R169 VanDerWaalsContact OE1-NH2 3.16Å; E54-R169 IonicContact OE2-CZ 3.67Å; E54-R169 IonicContact OE2-NE 3.24Å; E54-R169 PolarHBondContact OE2-NE 3.14Å; E54-R169 IonicContact OE2-NH2 3.39Å; E54-R169 PolarHBondContact OE2-NH2 3.32Å; E54-N173 PolarHBondContact OE1-ND2 3.05Å
55G97.6Very high97.9Very high29 Ų2962.9 Ų62.930%0.29931%0.314SS..  trans-68.7168.2-175.100000114E57 Y58 W59G55-E57 PolarHBondContact O-N 2.91Å; G55-Y58 WeakPolarHBondContact O-CB 3.5Å; G55-Y58 PolarHBondContact O-N 2.99Å; G55-Y58 VanDerWaalsContact O-N 3.09Å; G55-W59 VanDerWaalsContact O-CD1 3.27Å; G55-W59 PolarHBondContact O-N 2.73Å
56P97.8Very high97.9Very high88 Ų8860 Ų6057%0.57130%0.301SS*.Hα-helixtrans-57.7-32.1179.524.9-34000112.9Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.29Å; P56-Y58 PolarHBondContact O-N 2.95Å; P56-W59 PolarHBondContact O-N 3.4Å; P56-D60 WeakPolarHBondContact O-CB 3.38Å; P56-D60 PolarHBondContact O-N 3.28Å
57E98.1Very high97.9Very high145 Ų14561.5 Ų61.568%0.67830%0.303SS*.Hα-helixtrans-62.9-35.5178.4-59.490.6174.100112.6G55 Q61G55-E57 PolarHBondContact O-N 2.91Å; E57-Q61 VanDerWaalsContact O-CB 3.22Å; E57-Q61 WeakPolarHBondContact O-CB 3.48Å; E57-Q61 PolarHBondContact O-N 3.36Å
58Y98.2Very high97.9Very high20 Ų2059 Ų598%0.07831%0.306CS..Hα-helixtrans-63.3-52.6175.4171.3-94.9000110.3I51 E54 G55 P56 D60 Q61 E62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.11Å; I51-Y58 HydrophobicContact CG1-CE1 4.12Å; E54-Y58 HydrophobicContact CB-CD1 3.56Å; E54-Y58 HydrophobicContact CB-CE1 4.23Å; E54-Y58 HydrophobicContact CB-CG 3.76Å; E54-Y58 HydrophobicContact CG-CD1 4.05Å; E54-Y58 HydrophobicContact CG-CE1 4.31Å; E54-Y58 HydrophobicContact CG-CG 4.17Å; G55-Y58 WeakPolarHBondContact O-CB 3.5Å; G55-Y58 PolarHBondContact O-N 2.99Å; G55-Y58 VanDerWaalsContact O-N 3.09Å; P56-Y58 VanDerWaalsContact C-N 3.29Å; P56-Y58 PolarHBondContact O-N 2.95Å; Y58-D60 VanDerWaalsContact C-N 3.34Å; Y58-D60 PolarHBondContact O-N 2.96Å; Y58-Q61 PolarHBondContact O-N 3.18Å; Y58-E62 HydrophobicContact CD1-CG 4.42Å; Y58-E62 HydrophobicContact CD2-CG 4.15Å; Y58-E62 HydrophobicContact CE1-CG 4.06Å; Y58-E62 HydrophobicContact CE2-CG 3.76Å; Y58-E62 HydrophobicContact CG-CG 4.46Å; Y58-E62 WeakPolarHBondContact O-CB 3.44Å; Y58-E62 WeakPolarHBondContact O-CG 3.27Å; Y58-E62 PolarHBondContact O-N 2.68Å; Y58-W166 AromaticContact CD2-CH2 3.51Å; Y58-W166 HydrophobicContact CD2-CH2 3.51Å; Y58-W166 HydrophobicContact CD2-CZ2 4Å; Y58-W166 AromaticContact CD2-CZ3 3.98Å; Y58-W166 HydrophobicContact CD2-CZ3 3.98Å; Y58-W166 HydrophobicContact CE2-CE3 4.45Å; Y58-W166 AromaticContact CE2-CH2 3.89Å; Y58-W166 HydrophobicContact CE2-CH2 3.89Å; Y58-W166 HydrophobicContact CE2-CZ2 4.29Å; Y58-W166 AromaticContact CE2-CZ3 3.97Å; Y58-W166 HydrophobicContact CE2-CZ3 3.97Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.25Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.34Å; Y58-Y170 PolarHBondContact OH-OH 2.89Å
59W98.5Very high98Very high41 Ų4160.8 Ų60.816%0.15531%0.313CS..Hα-helixtrans-63.4-38.9-178.3-63.3111.6000112.9V33 M44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.03Å; V33-W59 HydrophobicContact CG1-CZ3 3.83Å; M44-W59 HydrophobicContact CB-CE3 4.24Å; M44-W59 HydrophobicContact CG-CE3 4.14Å; M44-W59 HydrophobicContact CG-CZ3 3.98Å; P46-W59 HydrophobicContact CB-CH2 3.65Å; P46-W59 HydrophobicContact CB-CZ2 4Å; P46-W59 HydrophobicContact CG-CH2 4.28Å; P46-W59 HydrophobicContact CG-CZ2 4.43Å; I51-W59 HydrophobicContact CB-CH2 4.44Å; I51-W59 HydrophobicContact CG1-CH2 3.74Å; I51-W59 HydrophobicContact CG1-CZ2 4.01Å; I51-W59 HydrophobicContact CG2-CH2 3.95Å; I51-W59 HydrophobicContact CG2-CZ2 4.34Å; I51-W59 WeakPolarHBondContact O-CZ2 3.26Å; E54-W59 PolarHBondContact O-NE1 2.89Å; G55-W59 VanDerWaalsContact O-CD1 3.27Å; G55-W59 PolarHBondContact O-N 2.73Å; P56-W59 PolarHBondContact O-N 3.4Å; W59-T63 WeakPolarHBondContact O-CB 3.38Å; W59-T63 PolarHBondContact O-N 2.71Å; W59-T63 PolarHBondContact O-OG1 2.95Å
60D98.4Very high98Very high80 Ų8056.7 Ų56.743%0.42829%0.287SS..Hα-helixtrans-69.3-37.7176.7-76.9-17.8000111.9P56 Y58 R64P56-D60 WeakPolarHBondContact O-CB 3.38Å; P56-D60 PolarHBondContact O-N 3.28Å; Y58-D60 VanDerWaalsContact C-N 3.34Å; Y58-D60 PolarHBondContact O-N 2.96Å; D60-R64 WeakPolarHBondContact O-CB 3.39Å; D60-R64 VanDerWaalsContact O-CG 3.29Å; D60-R64 WeakPolarHBondContact O-CG 3.49Å; D60-R64 PolarHBondContact O-N 3.22Å; D60-R64 VanDerWaalsContact O-N 3.1Å; D60-R64 PolarHBondContact O-NE 3.31Å
61Q98.1Very high98Very high76 Ų7660.9 Ų60.936%0.35531%0.307SS..Hα-helixtrans-68.9-47.9175.5-174.961.953.500111.4E57 Y58 T63 R64 N65E57-Q61 VanDerWaalsContact O-CB 3.22Å; E57-Q61 WeakPolarHBondContact O-CB 3.48Å; E57-Q61 PolarHBondContact O-N 3.36Å; Y58-Q61 PolarHBondContact O-N 3.18Å; Q61-T63 VanDerWaalsContact C-N 3.35Å; Q61-T63 PolarHBondContact O-N 3.35Å; Q61-R64 PolarHBondContact O-N 2.65Å; Q61-N65 PolarHBondContact NE2-OD1 2.9Å; Q61-N65 PolarHBondContact O-N 3.4Å; Q61-N65 PolarHBondContact O-ND2 3.37Å; Q61-N65 PolarHBondContact O-OD1 2.61Å
62E98.2Very high98Very high29 Ų2964 Ų6414%0.13633%0.326CS..Hα-helixtrans-63.9-41.3179.7-70.8-54.3103.100111.5M44 Y58 R64 N65 V66M44-E62 HydrophobicContact CB-CB 4.12Å; M44-E62 HydrophobicContact CE-CB 4.42Å; M44-E62 HydrophobicContact CG-CB 4.09Å; Y58-E62 HydrophobicContact CD1-CG 4.42Å; Y58-E62 HydrophobicContact CD2-CG 4.15Å; Y58-E62 HydrophobicContact CE1-CG 4.06Å; Y58-E62 HydrophobicContact CE2-CG 3.76Å; Y58-E62 HydrophobicContact CG-CG 4.46Å; Y58-E62 WeakPolarHBondContact O-CB 3.44Å; Y58-E62 WeakPolarHBondContact O-CG 3.27Å; Y58-E62 PolarHBondContact O-N 2.68Å; E62-R64 VanDerWaalsContact C-N 3.34Å; E62-R64 PolarHBondContact O-N 2.87Å; E62-N65 PolarHBondContact O-N 2.88Å; E62-N65 PolarHBondContact OE1-ND2 3.19Å; E62-N65 VanDerWaalsContact OE1-ND2 3.13Å; E62-V66 WeakPolarHBondContact O-CG2 3.34Å; E62-V66 PolarHBondContact O-N 2.91Å
63T98.6Very high98.1Very high13 Ų1358 Ų588%0.0830%0.298CS..Hα-helixtrans-60.7-42.5173.9-62.60000111.8R43 M44 W59 Q61 V66 K67R43-T63 HydrophobicContact CB-CG2 4.48Å; R43-T63 HydrophobicContact CG-CG2 4.29Å; M44-T63 PolarHBondContact N-OG1 2.94Å; W59-T63 WeakPolarHBondContact O-CB 3.38Å; W59-T63 PolarHBondContact O-N 2.71Å; W59-T63 PolarHBondContact O-OG1 2.95Å; Q61-T63 VanDerWaalsContact C-N 3.35Å; Q61-T63 PolarHBondContact O-N 3.35Å; T63-V66 WeakPolarHBondContact O-CG2 3.3Å; T63-K67 HydrophobicContact CG2-CD 4.21Å; T63-K67 WeakPolarHBondContact O-CB 3.35Å; T63-K67 WeakPolarHBondContact O-CG 3.37Å; T63-K67 PolarHBondContact O-N 3.35Å; T63-K67 VanDerWaalsContact O-N 3.11Å
64R98.4Very high98.1Very high145 Ų14557.6 Ų57.655%0.54729%0.292SS..Hα-helixtrans-64.7-42.3176.2-79.5-177.1-70.1137.1-0.9111.7D60 Q61 E62 K67 A68D60-R64 WeakPolarHBondContact O-CB 3.39Å; D60-R64 VanDerWaalsContact O-CG 3.29Å; D60-R64 WeakPolarHBondContact O-CG 3.49Å; D60-R64 PolarHBondContact O-N 3.22Å; D60-R64 VanDerWaalsContact O-N 3.1Å; D60-R64 PolarHBondContact O-NE 3.31Å; Q61-R64 PolarHBondContact O-N 2.65Å; E62-R64 VanDerWaalsContact C-N 3.34Å; E62-R64 PolarHBondContact O-N 2.87Å; R64-K67 PolarHBondContact O-N 3.18Å; R64-A68 WeakPolarHBondContact O-CB 2.98Å; R64-A68 PolarHBondContact O-N 2.98Å
65N97.8Very high98.1Very high59 Ų5961.4 Ų61.432%0.31632%0.316SS..Hα-helixtrans-59.7-51.1179.2-68.1-17.5000111.3Q61 E62 K67 A68 Q69Q61-N65 PolarHBondContact NE2-OD1 2.9Å; Q61-N65 PolarHBondContact O-N 3.4Å; Q61-N65 PolarHBondContact O-ND2 3.37Å; Q61-N65 PolarHBondContact O-OD1 2.61Å; E62-N65 PolarHBondContact O-N 2.88Å; E62-N65 PolarHBondContact OE1-ND2 3.19Å; E62-N65 VanDerWaalsContact OE1-ND2 3.13Å; N65-K67 VanDerWaalsContact C-N 3.35Å; N65-K67 PolarHBondContact O-N 2.97Å; N65-A68 PolarHBondContact O-N 2.86Å; N65-Q69 PolarHBondContact O-N 3.44Å
66V98.1Very high98.1Very high0 Ų062.9 Ų62.90%032%0.317CS..Hα-helixtrans-70.2-29.2-179.2-64.30000113.4F21 A23 F35 M44 E62 T63 Q69 S70F21-V66 HydrophobicContact CE1-CB 4Å; A23-V66 HydrophobicContact CB-CG1 4.16Å; F35-V66 HydrophobicContact CB-CB 4.47Å; F35-V66 HydrophobicContact CB-CG2 3.93Å; F35-V66 HydrophobicContact CD1-CB 4.37Å; F35-V66 HydrophobicContact CD1-CG2 4.01Å; F35-V66 HydrophobicContact CD2-CB 4.44Å; F35-V66 HydrophobicContact CD2-CG2 3.3Å; F35-V66 HydrophobicContact CE1-CG2 4.36Å; F35-V66 HydrophobicContact CE2-CG2 3.7Å; F35-V66 HydrophobicContact CG-CB 4.19Å; F35-V66 HydrophobicContact CG-CG2 3.47Å; F35-V66 VanDerWaalsContact CG-CG2 3.47Å; F35-V66 HydrophobicContact CZ-CG2 4.23Å; M44-V66 HydrophobicContact CE-CB 4.4Å; M44-V66 HydrophobicContact CE-CG1 3.37Å; M44-V66 HydrophobicContact CE-CG2 4.22Å; E62-V66 WeakPolarHBondContact O-CG2 3.34Å; E62-V66 PolarHBondContact O-N 2.91Å; T63-V66 WeakPolarHBondContact O-CG2 3.3Å; V66-Q69 PolarHBondContact O-N 3.06Å; V66-S70 WeakPolarHBondContact O-CB 3.18Å; V66-S70 PolarHBondContact O-N 3.42Å
67K98.4Very high98.2Very high78 Ų7859.2 Ų59.234%0.33929%0.292SS..Hα-helixtrans-68.2-38.6170.6-76.8-176.1178.1-178.40112.3F35 Q42 T63 R64 N65 S70 Q71F35-K67 HydrophobicContact CE2-CG 4.09Å; F35-K67 HydrophobicContact CZ-CG 3.97Å; Q42-K67 WeakPolarHBondContact O-CE 3.42Å; Q42-K67 PolarHBondContact O-NZ 3.34Å; T63-K67 HydrophobicContact CG2-CD 4.21Å; T63-K67 WeakPolarHBondContact O-CB 3.35Å; T63-K67 WeakPolarHBondContact O-CG 3.37Å; T63-K67 PolarHBondContact O-N 3.35Å; T63-K67 VanDerWaalsContact O-N 3.11Å; R64-K67 PolarHBondContact O-N 3.18Å; N65-K67 VanDerWaalsContact C-N 3.35Å; N65-K67 PolarHBondContact O-N 2.97Å; K67-S70 PolarHBondContact O-N 3.28Å; K67-S70 PolarHBondContact O-OG 3.28Å; K67-Q71 PolarHBondContact O-N 2.95Å
68A98.4Very high98.1Very high58 Ų5853.9 Ų53.948%0.47928%0.277SS..Hα-helixtrans-66.3-40.9173.900000111.2R64 N65 Q71 T72R64-A68 WeakPolarHBondContact O-CB 2.98Å; R64-A68 PolarHBondContact O-N 2.98Å; N65-A68 PolarHBondContact O-N 2.86Å; A68-Q71 PolarHBondContact O-N 3.09Å; A68-T72 PolarHBondContact O-N 2.61Å; A68-T72 VanDerWaalsContact O-N 3.08Å; A68-T72 PolarHBondContact O-OG1 3.37Å
69Q98.2Very high98.1Very high42 Ų4255.1 Ų55.120%0.19629%0.286CS..Hα-helixtrans-62.9-42.9174.8-170.465.355.100111.7Y8 F21 N65 V66 Q71 T72 D73Y8-Q69 HydrophobicContact CD2-CG 3.75Å; Y8-Q69 HydrophobicContact CE2-CB 4.47Å; Y8-Q69 HydrophobicContact CE2-CG 3.77Å; F21-Q69 HydrophobicContact CE2-CB 4.24Å; F21-Q69 HydrophobicContact CE2-CG 3.79Å; F21-Q69 HydrophobicContact CZ-CB 4.13Å; F21-Q69 HydrophobicContact CZ-CG 3.98Å; N65-Q69 PolarHBondContact O-N 3.44Å; V66-Q69 PolarHBondContact O-N 3.06Å; Q69-Q71 VanDerWaalsContact C-N 3.27Å; Q69-Q71 PolarHBondContact O-N 3.23Å; Q69-T72 CarbonylContact O-C 3.52Å; Q69-T72 WeakPolarHBondContact O-CA 3.39Å; Q69-T72 WeakPolarHBondContact O-CB 3.01Å; Q69-T72 PolarHBondContact O-N 3.3Å; Q69-D73 PolarHBondContact NE2-OD1 3.28Å; Q69-D73 PolarHBondContact O-N 3.37Å
70S97.9Very high98.1Very high17 Ų1753.7 Ų53.712%0.11928%0.281CS..Hα-helixtrans-61.6-34.7179.377.50000113.3F21 V66 K67 R74F21-S70 VanDerWaalsContact CG-CB 3.44Å; V66-S70 WeakPolarHBondContact O-CB 3.18Å; V66-S70 PolarHBondContact O-N 3.42Å; K67-S70 PolarHBondContact O-N 3.28Å; K67-S70 PolarHBondContact O-OG 3.28Å; S70-R74 WeakPolarHBondContact O-CB 3.22Å; S70-R74 PolarHBondContact O-N 2.84Å; S70-R74 VanDerWaalsContact O-N 3.12Å
71Q98.1Very high98Very high105 Ų10553.3 Ų53.349%0.49127%0.274SS..Hα-helixtrans-70.9-35.4172.4-62.9-48.5-62.200112.4K67 A68 Q69 R74 V75K67-Q71 PolarHBondContact O-N 2.95Å; A68-Q71 PolarHBondContact O-N 3.09Å; Q69-Q71 VanDerWaalsContact C-N 3.27Å; Q69-Q71 PolarHBondContact O-N 3.23Å; Q71-R74 PolarHBondContact O-N 3.18Å; Q71-V75 WeakPolarHBondContact O-CG2 3.26Å; Q71-V75 PolarHBondContact O-N 2.84Å
72T98.3Very high98Very high65 Ų6551.8 Ų51.840%0.39928%0.279SS..Hα-helixtrans-63.6-51.8175.3-55.90000110.2A68 Q69 R74 V75 D76A68-T72 PolarHBondContact O-N 2.61Å; A68-T72 VanDerWaalsContact O-N 3.08Å; A68-T72 PolarHBondContact O-OG1 3.37Å; Q69-T72 CarbonylContact O-C 3.52Å; Q69-T72 WeakPolarHBondContact O-CA 3.39Å; Q69-T72 WeakPolarHBondContact O-CB 3.01Å; Q69-T72 PolarHBondContact O-N 3.3Å; T72-R74 VanDerWaalsContact C-N 3.25Å; T72-R74 PolarHBondContact O-N 2.87Å; T72-V75 PolarHBondContact O-N 3.04Å; T72-D76 PolarHBondContact O-N 3.39Å
73D97.9Very high98Very high0 Ų052.9 Ų52.90%028%0.282CS..Hα-helixtrans-60.3-34.9178.9-74.822000112.4S10 F21 Q69 D76 L77S10-D73 WeakPolarHBondContact CB-OD2 3.47Å; S10-D73 WeakPolarHBondContact OG-CB 3.34Å; S10-D73 PolarHBondContact OG-OD2 2.83Å; F21-D73 HydrophobicContact CD2-CB 4.5Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.43Å; Q69-D73 PolarHBondContact NE2-OD1 3.28Å; Q69-D73 PolarHBondContact O-N 3.37Å; D73-D76 PolarHBondContact O-N 3.48Å; D73-L77 WeakPolarHBondContact O-CB 3.36Å; D73-L77 VanDerWaalsContact O-CG 3.32Å; D73-L77 WeakPolarHBondContact O-CG 3.46Å; D73-L77 PolarHBondContact O-N 2.66Å
74R97.6Very high98Very high106 Ų10655.5 Ų55.540%0.429%0.291SS..Hα-helixtrans-60.1-45.1173.6174.4-171.6167.2163.514.1111.6E18 P19 S70 Q71 T72E18-R74 VanDerWaalsContact CD-NH1 3.25Å; E18-R74 IonicContact OE1-CZ 3.39Å; E18-R74 IonicContact OE1-NE 2.76Å; E18-R74 IonicContact OE1-NH1 3.73Å; E18-R74 PolarHBondContact OE1-NH1 2.93Å; E18-R74 IonicContact OE1-NH2 2.72Å; E18-R74 PolarHBondContact OE1-NH2 2.94Å; E18-R74 WeakPolarHBondContact OE2-CD 3.49Å; E18-R74 IonicContact OE2-CZ 3.28Å; E18-R74 IonicContact OE2-NE 3.52Å; E18-R74 PolarHBondContact OE2-NE 3.02Å; E18-R74 IonicContact OE2-NH1 2.86Å; E18-R74 PolarHBondContact OE2-NH1 3.34Å; E18-R74 IonicContact OE2-NH2 3.51Å; E18-R74 PolarHBondContact OE2-NH2 3.42Å; P19-R74 HydrophobicContact CG-CB 4.46Å; P19-R74 HydrophobicContact CG-CG 4.26Å; S70-R74 WeakPolarHBondContact O-CB 3.22Å; S70-R74 PolarHBondContact O-N 2.84Å; S70-R74 VanDerWaalsContact O-N 3.12Å; Q71-R74 PolarHBondContact O-N 3.18Å; T72-R74 VanDerWaalsContact C-N 3.25Å; T72-R74 PolarHBondContact O-N 2.87Å
75V97.9Very high97.9Very high94 Ų9455.8 Ų55.857%0.5730%0.303SS*.Hα-helixtrans-69.4-39.2177.3175.20000110.5Q71 T72 G78 T79Q71-V75 WeakPolarHBondContact O-CG2 3.26Å; Q71-V75 PolarHBondContact O-N 2.84Å; T72-V75 PolarHBondContact O-N 3.04Å; V75-G78 PolarHBondContact O-N 2.82Å; V75-T79 PolarHBondContact O-N 3.17Å; V75-T79 PolarHBondContact O-OG1 3.06Å
76D98.2Very high97.9Very high60 Ų6055.8 Ų55.832%0.32130%0.301SS..Hα-helixtrans-66-38179.4-71-20000111.8T72 D73 G78 T79 L80 I94T72-D76 PolarHBondContact O-N 3.39Å; D73-D76 PolarHBondContact O-N 3.48Å; D76-G78 VanDerWaalsContact C-N 3.29Å; D76-G78 PolarHBondContact O-N 2.83Å; D76-T79 WeakPolarHBondContact O-CB 3.33Å; D76-T79 PolarHBondContact O-N 3.45Å; D76-T79 VanDerWaalsContact O-N 3.07Å; D76-L80 WeakPolarHBondContact O-CB 3.15Å; D76-L80 VanDerWaalsContact O-CG 3.29Å; D76-L80 WeakPolarHBondContact O-CG 3.33Å; D76-L80 PolarHBondContact O-N 2.9Å; D76-I94 HydrophobicContact CB-CD1 3.7Å
77L98.2Very high97.7Very high10 Ų1059.4 Ų59.45%0.05233%0.327CS..Hα-helixtrans-57.2-42.7173.1-80.9164000111.6P19 D73 R81 H92 I94 Y117P19-L77 HydrophobicContact CB-CD1 3.55Å; P19-L77 HydrophobicContact CG-CD1 3.64Å; D73-L77 WeakPolarHBondContact O-CB 3.36Å; D73-L77 VanDerWaalsContact O-CG 3.32Å; D73-L77 WeakPolarHBondContact O-CG 3.46Å; D73-L77 PolarHBondContact O-N 2.66Å; L77-R81 VanDerWaalsContact O-CB 3.3Å; L77-R81 WeakPolarHBondContact O-CB 3.19Å; L77-R81 PolarHBondContact O-N 2.86Å; L77-R81 VanDerWaalsContact O-N 3.12Å; L77-H92 HydrophobicContact CD2-CB 4.08Å; L77-I94 HydrophobicContact CB-CD1 4.44Å; L77-I94 HydrophobicContact CD2-CD1 4Å; L77-I94 HydrophobicContact CD2-CG1 3.79Å; L77-I94 HydrophobicContact CG-CD1 3.73Å; L77-I94 HydrophobicContact CG-CG1 4.07Å; L77-Y117 HydrophobicContact CD2-CE2 4.36Å
78G96.6Very high97.4Very high34 Ų3461.6 Ų61.635%0.35134%0.338SS..Hα-helixtrans-67-38174.800000112.9V75 D76 G82V75-G78 PolarHBondContact O-N 2.82Å; D76-G78 VanDerWaalsContact C-N 3.29Å; D76-G78 PolarHBondContact O-N 2.83Å; G78-G82 PolarHBondContact O-N 3.28Å
79T97.9Very high97.1Very high45 Ų4565.8 Ų65.828%0.27635%0.353SS..Hα-helixtrans-67.5-48.4178.7-60.60000111.8V75 D76 G82 Y83V75-T79 PolarHBondContact O-N 3.17Å; V75-T79 PolarHBondContact O-OG1 3.06Å; D76-T79 WeakPolarHBondContact O-CB 3.33Å; D76-T79 PolarHBondContact O-N 3.45Å; D76-T79 VanDerWaalsContact O-N 3.07Å; T79-G82 WeakPolarHBondContact O-CA 3.22Å; T79-G82 PolarHBondContact O-N 2.85Å; T79-G82 VanDerWaalsContact O-N 3.1Å; T79-Y83 HydrophobicContact CG2-CD1 4.37Å; T79-Y83 HydrophobicContact CG2-CD2 4.5Å; T79-Y83 HydrophobicContact CG2-CE1 3.75Å; T79-Y83 HydrophobicContact CG2-CE2 3.9Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.47Å; T79-Y83 PolarHBondContact O-N 3.25Å
80L98.3Very high96.9Very high11 Ų1164.8 Ų64.86%0.05835%0.354CS..Hα-helixtrans-63.7-43.3179.9-68.9174.5000111.1D76 G82 Y83 Y84 I94 Y117 Y122D76-L80 WeakPolarHBondContact O-CB 3.15Å; D76-L80 VanDerWaalsContact O-CG 3.29Å; D76-L80 WeakPolarHBondContact O-CG 3.33Å; D76-L80 PolarHBondContact O-N 2.9Å; L80-G82 PolarHBondContact O-N 2.94Å; L80-Y83 HydrophobicContact CD2-CD2 4.17Å; L80-Y83 PolarHBondContact O-N 3.02Å; L80-Y84 HydrophobicContact CD2-CE2 4.49Å; L80-Y84 VanDerWaalsContact O-CD2 3.26Å; L80-Y84 WeakPolarHBondContact O-CD2 3.31Å; L80-Y84 PolarHBondContact O-N 2.9Å; L80-I94 HydrophobicContact CD1-CD1 3.56Å; L80-I94 HydrophobicContact CD1-CG1 3.65Å; L80-Y117 HydrophobicContact CB-CD2 4.13Å; L80-Y117 HydrophobicContact CB-CE1 4.23Å; L80-Y117 HydrophobicContact CB-CE2 3.75Å; L80-Y117 HydrophobicContact CD1-CD2 3.44Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.44Å; L80-Y117 HydrophobicContact CD1-CE2 3.81Å; L80-Y117 HydrophobicContact CD1-CG 3.97Å; L80-Y117 HydrophobicContact CG-CD2 4.38Å; L80-Y117 HydrophobicContact CG-CE2 4.43Å; L80-Y122 HydrophobicContact CD2-CD2 4.3Å; L80-Y122 HydrophobicContact CD2-CE1 3.83Å; L80-Y122 HydrophobicContact CD2-CE2 3.54Å; L80-Y122 VanDerWaalsContact CD2-OH 3.27Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.37Å
81R97.3Very high96.9Very high72 Ų7267.4 Ų67.427%0.27237%0.372SS..Hα-helixtrans-52.2-42.5171.8-173.6-172.867-179.711.4111.7L77 N85 Q86 S87 E88L77-R81 VanDerWaalsContact O-CB 3.3Å; L77-R81 WeakPolarHBondContact O-CB 3.19Å; L77-R81 PolarHBondContact O-N 2.86Å; L77-R81 VanDerWaalsContact O-N 3.12Å; R81-N85 PolarHBondContact O-N 2.8Å; R81-N85 VanDerWaalsContact O-N 3.09Å; R81-Q86 HydrophobicContact CG-CB 3.79Å; R81-Q86 WeakPolarHBondContact CG-O 3.4Å; R81-Q86 PolarHBondContact O-N 3.43Å; R81-S87 WeakPolarHBondContact CD-O 3.46Å; R81-E88 IonicContact CZ-OE1 3.72Å; R81-E88 IonicContact NH1-OE1 3.49Å; R81-E88 IonicContact NH2-OE1 3.17Å; R81-E88 PolarHBondContact NH2-OE1 3.18Å
82G97.4Very high96.9Very high44 Ų4463.2 Ų63.245%0.45435%0.352SS..Hα-helixtrans-65-45.1174.700000113.4G78 T79 L80 Y84 N85G78-G82 PolarHBondContact O-N 3.28Å; T79-G82 WeakPolarHBondContact O-CA 3.22Å; T79-G82 PolarHBondContact O-N 2.85Å; T79-G82 VanDerWaalsContact O-N 3.1Å; L80-G82 PolarHBondContact O-N 2.94Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.85Å; G82-N85 PolarHBondContact O-N 3.11Å
83Y98.1Very high96.9Very high52 Ų5261.8 Ų61.820%0.20434%0.343CS..Hα-helixtrans-61.2-35.8178-67-9.3000113T79 L80 A138 I141 K145T79-Y83 HydrophobicContact CG2-CD1 4.37Å; T79-Y83 HydrophobicContact CG2-CD2 4.5Å; T79-Y83 HydrophobicContact CG2-CE1 3.75Å; T79-Y83 HydrophobicContact CG2-CE2 3.9Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.47Å; T79-Y83 PolarHBondContact O-N 3.25Å; L80-Y83 HydrophobicContact CD2-CD2 4.17Å; L80-Y83 PolarHBondContact O-N 3.02Å; Y83-A138 HydrophobicContact CD2-CB 4.4Å; Y83-I141 HydrophobicContact CD1-CD1 4.06Å; Y83-I141 HydrophobicContact CD2-CD1 4.44Å; Y83-I141 HydrophobicContact CE1-CD1 4.23Å; Y83-I141 HydrophobicContact CE1-CG2 3.99Å; Y83-I141 HydrophobicContact CE2-CB 4.05Å; Y83-I141 HydrophobicContact CE2-CG2 4.07Å; Y83-I141 HydrophobicContact CG-CD1 4.18Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.42Å; Y83-K145 WeakPolarHBondContact OH-CE 3.46Å; Y83-K145 PolarHBondContact OH-NZ 2.98Å
84Y98.1Very high97Very high68 Ų6862.1 Ų62.127%0.26735%0.345SS..THydrogen-bonded Turntrans-92.93.3-180-69.7-72.1000114.1L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.49Å; L80-Y84 VanDerWaalsContact O-CD2 3.26Å; L80-Y84 WeakPolarHBondContact O-CD2 3.31Å; L80-Y84 PolarHBondContact O-N 2.9Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.85Å; Y84-Q86 PolarHBondContact O-N 2.64Å; Y84-Y117 AromaticContact CD2-CD1 3.69Å; Y84-Y117 HydrophobicContact CD2-CD1 3.69Å; Y84-Y117 AromaticContact CD2-CE1 3.48Å; Y84-Y117 HydrophobicContact CD2-CE1 3.48Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.48Å; Y84-Y117 AromaticContact CE2-CD1 3.48Å; Y84-Y117 HydrophobicContact CE2-CD1 3.48Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.48Å; Y84-Y117 AromaticContact CE2-CE1 3.81Å; Y84-Y117 HydrophobicContact CE2-CE1 3.81Å; Y84-Y117 HydrophobicContact CE2-CG 4.39Å; Y84-Y117 HydrophobicContact CG-CE1 4.33Å; Y84-Y122 HydrophobicContact CE2-CD2 4.36Å; Y84-Y122 HydrophobicContact CE2-CE2 4.06Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.35Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.28Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.2Å; Y84-D136 VanDerWaalsContact OH-CG 3.26Å; Y84-D136 PolarHBondContact OH-OD1 3.07Å; Y84-D136 PolarHBondContact OH-OD2 2.99Å; Y84-A138 HydrophobicContact CD1-CB 4.21Å; Y84-A138 HydrophobicContact CD2-CB 4.42Å; Y84-A138 HydrophobicContact CE1-CB 3.65Å; Y84-A138 HydrophobicContact CE2-CB 3.88Å; Y84-A138 VanDerWaalsContact CZ-CB 3.47Å
85N97.1Very high97Very high151 Ų15161 Ų6181%0.80734%0.344SS*.THydrogen-bonded Turntrans51.340.5-176.6-56-61000113.3R81 G82R81-N85 PolarHBondContact O-N 2.8Å; R81-N85 VanDerWaalsContact O-N 3.09Å; G82-N85 PolarHBondContact O-N 3.11Å
86Q97.4Very high97.1Very high59 Ų5956.8 Ų56.828%0.27632%0.319SS..  trans-86.7155.8-177.4-71.3168.3-35.800111.8R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.79Å; R81-Q86 WeakPolarHBondContact CG-O 3.4Å; R81-Q86 PolarHBondContact O-N 3.43Å; Y84-Q86 PolarHBondContact O-N 2.64Å; Q86-H92 PolarHBondContact NE2-CE1 3.28Å; Q86-H92 PolarHBondContact OE1-CE1 3.15Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.3Å; Q86-Y117 VanDerWaalsContact OE1-CE1 3.31Å; Q86-Y117 PolarHBondContact OE1-OH 3.39Å; Q86-D118 PolarHBondContact NE2-OD2 2.72Å
87S95Very high97.1Very high76 Ų7654.8 Ų54.853%0.53131%0.308SS..  trans-72.9157.9-179.965.40000112.6R81 D89R81-S87 WeakPolarHBondContact CD-O 3.46Å; S87-D89 VanDerWaalsContact C-N 3.3Å; S87-D89 PolarHBondContact O-N 2.87Å
88E91.5Very high97.1Very high125 Ų12555.6 Ų55.658%0.58431%0.31SS*.THydrogen-bonded Turntrans-74.6-21.1178.7-55.6-154.5127.700113.7P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.45Å; P14-E88 WeakPolarHBondContact CG-O 3.38Å; R81-E88 IonicContact CZ-OE1 3.72Å; R81-E88 IonicContact NH1-OE1 3.49Å; R81-E88 IonicContact NH2-OE1 3.17Å; R81-E88 PolarHBondContact NH2-OE1 3.18Å; E88-G90 VanDerWaalsContact C-N 3.29Å
89D92.1Very high97.2Very high146 Ų14654 Ų5478%0.78129%0.294SS*.THydrogen-bonded Turntrans-81.9-10.1-177.7-57.7-40.9000112.9S87S87-D89 VanDerWaalsContact C-N 3.3Å; S87-D89 PolarHBondContact O-N 2.87Å
90G93.9Very high97.3Very high21 Ų2151.9 Ų51.922%0.21628%0.28CS..  trans-76.2135.2179.300000113.2P14 E88 H92P14-G90 VanDerWaalsContact CG-O 3.28Å; P14-G90 WeakPolarHBondContact CG-O 3.48Å; E88-G90 VanDerWaalsContact C-N 3.29Å; G90-H92 PolarHBondContact O-CD2 3.21Å; G90-H92 VanDerWaalsContact O-CD2 3.29Å
91S97.6Very high97.3Very high72 Ų7252.7 Ų52.750%0.50329%0.285SS..  trans-82.6131.6164.7-179.80000109.1S12S12-S91 WeakPolarHBondContact O-CB 2.84Å; S12-S91 PolarHBondContact O-OG 2.87Å
92H98.4Very high97.4Very high17 Ų1749.3 Ų49.38%0.07927%0.272CS..  trans-131.8154-175.8-65-69.7000110.5V11 S12 L77 Q86 G90 Y117 D118V11-H92 WeakPolarHBondContact CA-O 3.32Å; S12-H92 PolarHBondContact N-O 3.03Å; S12-H92 PolarHBondContact OG-N 2.99Å; S12-H92 PolarHBondContact OG-O 2.97Å; L77-H92 HydrophobicContact CD2-CB 4.08Å; Q86-H92 PolarHBondContact NE2-CE1 3.28Å; Q86-H92 PolarHBondContact OE1-CE1 3.15Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.3Å; G90-H92 PolarHBondContact O-CD2 3.21Å; G90-H92 VanDerWaalsContact O-CD2 3.29Å; H92-Y117 HydrophobicContact CB-CE2 3.9Å; H92-Y117 WeakPolarHBondContact CB-OH 3.49Å; H92-Y117 VanDerWaalsContact CG-OH 3.22Å; H92-Y117 AromaticContact ND1-CZ 3.96Å; H92-Y117 PolarHBondContact ND1-OH 3.47Å; H92-D118 WeakPolarHBondContact CA-OD1 3.5Å; H92-D118 IonicContact CE1-OD2 3.37Å; H92-D118 IonicContact CG-OD1 3.76Å; H92-D118 IonicContact CG-OD2 3.6Å; H92-D118 IonicContact ND1-OD1 2.98Å; H92-D118 IonicContact ND1-OD2 2.7Å; H92-D118 PolarHBondContact ND1-OD2 3.29Å
93T98.8Very high97.4Very high34 Ų3447.4 Ų47.421%0.20925%0.252CS..EExtended strand (participates in β ladder)trans-127.3130.5-175.2-53.40000111.5T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 3.97Å; S10-T93 CarbonylContact O-C 3.59Å; S10-T93 VanDerWaalsContact O-CA 3.29Å; S10-T93 WeakPolarHBondContact O-CA 3.36Å; V11-T93 HydrophobicContact CG2-CG2 4.15Å; T93-Q95 HydrophobicContact CG2-CG 3.85Å; T93-Y117 CarbonylContact O-C 3.58Å; T93-Y117 WeakPolarHBondContact O-CA 3.44Å; T93-Y117 VanDerWaalsContact O-CD2 3.3Å; T93-Y117 WeakPolarHBondContact O-CD2 3.36Å; T93-D118 PolarHBondContact N-OD1 2.82Å; T93-D118 PolarHBondContact O-N 2.84Å
94I98.8Very high97.2Very high7 Ų751 Ų514%0.03628%0.282CS..EExtended strand (participates in β ladder)trans-104.5133.1162.3-64.9173.6000107.8T9 S10 D76 L77 L80 I96 A116 Y117T9-I94 WeakPolarHBondContact CA-O 3.36Å; S10-I94 PolarHBondContact N-O 2.9Å; S10-I94 PolarHBondContact O-N 3.1Å; D76-I94 HydrophobicContact CB-CD1 3.7Å; L77-I94 HydrophobicContact CB-CD1 4.44Å; L77-I94 HydrophobicContact CD2-CD1 4Å; L77-I94 HydrophobicContact CD2-CG1 3.79Å; L77-I94 HydrophobicContact CG-CD1 3.73Å; L77-I94 HydrophobicContact CG-CG1 4.07Å; L80-I94 HydrophobicContact CD1-CD1 3.56Å; L80-I94 HydrophobicContact CD1-CG1 3.65Å; I94-I96 HydrophobicContact CG2-CD1 4.25Å; I94-I96 HydrophobicContact CG2-CG1 4.04Å; I94-A116 WeakPolarHBondContact CA-O 3.47Å; I94-Y117 HydrophobicContact CG1-CD2 4Å; I94-Y117 HydrophobicContact CG1-CE2 4.44Å
95Q98.9Very high97.1Very high83 Ų8352.1 Ų52.139%0.38829%0.293SS..EExtended strand (participates in β ladder)trans-123.2137.7170.9-59.6174.8-95.500109.2Y8 T9 T93 D115 A116Y8-Q95 VanDerWaalsContact O-CA 3.32Å; Y8-Q95 WeakPolarHBondContact O-CA 3.46Å; T9-Q95 HydrophobicContact CG2-CG 4.31Å; T93-Q95 HydrophobicContact CG2-CG 3.85Å; Q95-D115 CarbonylContact O-C 3.58Å; Q95-D115 VanDerWaalsContact O-CA 3.28Å; Q95-D115 WeakPolarHBondContact O-CA 3.32Å; Q95-A116 HydrophobicContact CB-CB 4.33Å; Q95-A116 PolarHBondContact N-O 3.26Å; Q95-A116 PolarHBondContact O-N 3.08Å
96I98.8Very high97Very high5 Ų545.6 Ų45.63%0.02626%0.261CS..EExtended strand (participates in β ladder)trans-129.6132.8179.1-60.8165000108F7 Y8 I94 Y98 Q114 D115F7-I96 CarbonylContact C-O 3.47Å; F7-I96 WeakPolarHBondContact CA-O 3.24Å; Y8-I96 HydrophobicContact CD2-CB 4.42Å; Y8-I96 HydrophobicContact CD2-CD1 4.42Å; Y8-I96 PolarHBondContact N-O 2.8Å; Y8-I96 PolarHBondContact O-N 2.8Å; I94-I96 HydrophobicContact CG2-CD1 4.25Å; I94-I96 HydrophobicContact CG2-CG1 4.04Å; I96-Y98 HydrophobicContact CG2-CD1 4.05Å; I96-Q114 WeakPolarHBondContact CA-O 3.3Å; I96-D115 HydrophobicContact CG1-CB 4.35Å
97M98.8Very high97Very high19 Ų1950.8 Ų50.89%0.09428%0.278CS..EExtended strand (participates in β ladder)trans-123.5129.3167.3-172.7-78.1-68.500109.4Y6 F7 Y112 R113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.33Å; F7-M97 HydrophobicContact CD1-CB 4.07Å; F7-M97 HydrophobicContact CD1-CG 3.68Å; F7-M97 HydrophobicContact CE1-CB 4.22Å; F7-M97 HydrophobicContact CE1-CG 3.41Å; F7-M97 VanDerWaalsContact CE1-CG 3.41Å; F7-M97 HydrophobicContact CZ-CG 4.11Å; M97-Y112 HydrophobicContact CE-CD1 4.16Å; M97-Y112 HydrophobicContact CE-CG 4.05Å; M97-R113 CarbonylContact O-C 3.54Å; M97-R113 WeakPolarHBondContact O-CA 3.42Å; M97-Q114 HydrophobicContact CB-CG 4.08Å; M97-Q114 VanDerWaalsContact CE-CD 3.4Å; M97-Q114 HydrophobicContact CE-CG 3.88Å; M97-Q114 VanDerWaalsContact CE-NE2 3.33Å; M97-Q114 PolarHBondContact N-O 2.89Å; M97-Q114 PolarHBondContact O-N 2.87Å
98Y98.8Very high97.2Very high27 Ų2750.1 Ų50.111%0.10627%0.266CS..EExtended strand (participates in β ladder)trans-146159.3170.570.7-88.2000111.5R5 Y6 Y8 I96 Y112 Y158R5-Y98 WeakPolarHBondContact CA-O 3.41Å; Y6-Y98 AromaticContact CD2-CE2 3.72Å; Y6-Y98 HydrophobicContact CD2-CE2 3.72Å; Y6-Y98 AromaticContact CD2-CZ 3.86Å; Y6-Y98 HydrophobicContact CG-CE1 4.39Å; Y6-Y98 HydrophobicContact CG-CE2 4.17Å; Y6-Y98 AromaticContact CG-CZ 3.83Å; Y6-Y98 PolarHBondContact N-O 3.18Å; Y6-Y98 PolarHBondContact O-N 3.19Å; Y8-Y98 HydrophobicContact CD2-CE1 4.19Å; Y8-Y98 HydrophobicContact CE1-CE1 4.32Å; Y8-Y98 AromaticContact CE2-CE1 3.52Å; Y8-Y98 HydrophobicContact CE2-CE1 3.52Å; Y8-Y98 AromaticContact CZ-CE1 3.62Å; Y8-Y98 AromaticContact CZ-CZ 3.99Å; Y8-Y98 PolarHBondContact OH-OH 3.1Å; I96-Y98 HydrophobicContact CG2-CD1 4.05Å; Y98-Y112 CarbonylContact C-O 3.57Å; Y98-Y112 WeakPolarHBondContact CA-O 3.46Å; Y98-Y112 WeakPolarHBondContact CB-O 3.47Å; Y98-Y158 AromaticContact CD2-CE1 3.77Å; Y98-Y158 HydrophobicContact CD2-CE1 3.77Å; Y98-Y158 AromaticContact CE2-CE1 3.64Å; Y98-Y158 HydrophobicContact CE2-CE1 3.64Å; Y98-Y158 AromaticContact CE2-CZ 3.91Å
99G98.8Very high97.5Very high0 Ų049.4 Ų49.40%027%0.265CS..EExtended strand (participates in β ladder)trans156.7-174.1-179.500000113.5M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.59Å; M4-G99 WeakPolarHBondContact O-CA 3.36Å; G99-G111 CarbonylContact O-C 3.53Å; G99-G111 WeakPolarHBondContact O-CA 3.43Å; G99-Y112 PolarHBondContact N-O 3.27Å; G99-Y112 PolarHBondContact O-N 2.81Å; G99-L159 WeakPolarHBondContact O-CD2 3.16Å
100C98.8Very high97.7Very high0 Ų046.9 Ų46.90%025%0.245CC..EExtended strand (participates in β ladder)trans-133.7149.1-17353.20000111.4S3 M4 F108 R110 C163 V164S3-C100 WeakPolarHBondContact CA-O 3.26Å; M4-C100 PolarHBondContact N-O 3.26Å; M4-C100 PolarHBondContact O-N 2.94Å; C100-F108 HydrophobicContact CB-CD2 4.38Å; C100-F108 HydrophobicContact CB-CE2 4.19Å; C100-R110 CarbonylContact C-O 3.55Å; C100-R110 WeakPolarHBondContact CA-O 3.41Å; C100-C163 HydrophobicContact CB-CB 3.91Å; C100-C163 WeakPolarHBondContact CB-SG 3.41Å; C100-C163 PolarHBondContact N-SG 3.08Å; C100-C163 WeakPolarHBondContact SG-CB 3.43Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.22Å; C100-V164 HydrophobicContact CB-CG2 4.34Å
101D98.8Very high98Very high29 Ų2946.1 Ų46.116%0.15524%0.237CC..EExtended strand (participates in β ladder)trans-110.6140171.1-59.6-14.6000109.1H2 S3 R5 L109 R110 Y112H2-D101 WeakPolarHBondContact O-CA 3.27Å; S3-D101 WeakPolarHBondContact CB-OD1 3.46Å; R5-D101 IonicContact CZ-OD1 3.23Å; R5-D101 IonicContact NE-OD1 3.06Å; R5-D101 PolarHBondContact NE-OD1 3.35Å; R5-D101 IonicContact NH2-OD1 3.4Å; R5-D101 PolarHBondContact NH2-OD1 3.12Å; R5-D101 IonicContact NH2-OD2 2.94Å; R5-D101 PolarHBondContact NH2-OD2 2.78Å; D101-L109 HydrophobicContact CB-CB 4.45Å; D101-L109 PolarHBondContact O-N 3.28Å; D101-R110 HydrophobicContact CB-CB 4.48Å; D101-R110 PolarHBondContact N-O 2.89Å; D101-R110 PolarHBondContact O-N 2.86Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.3Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.32Å; D101-Y112 PolarHBondContact OD2-OH 3.49Å
102V98.6Very high98Very high1 Ų144.6 Ų44.61%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-125.3146176.7-610000112S1 H2 R107 V164 L167S1-V102 WeakPolarHBondContact CA-O 3.32Å; S1-V102 VanDerWaalsContact CB-O 3.3Å; S1-V102 WeakPolarHBondContact CB-O 3.45Å; H2-V102 HydrophobicContact CB-CG2 4.06Å; H2-V102 PolarHBondContact N-O 2.92Å; H2-V102 PolarHBondContact O-N 2.88Å; V102-R107 CarbonylContact C-O 3.5Å; V102-R107 WeakPolarHBondContact CA-O 3.44Å; V102-R107 WeakPolarHBondContact CB-O 3.42Å; V102-V164 HydrophobicContact CG1-CB 4.41Å; V102-V164 HydrophobicContact CG1-CG1 3.94Å; V102-V164 HydrophobicContact CG1-CG2 4Å; V102-L167 HydrophobicContact CB-CD2 4.38Å; V102-L167 HydrophobicContact CG1-CD2 3.96Å; V102-L167 HydrophobicContact CG2-CD2 3.62Å; V102-L167 HydrophobicContact CG2-CG 4.23Å
103G97.6Very high98Very high3 Ų344.8 Ų44.83%0.03122%0.22CC..  trans-71.6174.8174.700000112.4D105 G106 R107G103-D105 PolarHBondContact O-N 2.99Å; G103-G106 WeakPolarHBondContact O-CA 3.41Å; G103-G106 PolarHBondContact O-N 2.72Å; G103-R107 PolarHBondContact N-O 2.82Å
104P94.8Very high98Very high128 Ų12847 Ų4783%0.83123%0.228SC*.THydrogen-bonded Turntrans-58.8-26.4173.8-2334000113.7G106P104-G106 PolarHBondContact O-N 3.29Å
105D95.1Very high98Very high92 Ų9247.5 Ų47.549%0.49223%0.231SC..THydrogen-bonded Turntrans-81.85.1173.467.4-10.3000113.1G103 R107G103-D105 PolarHBondContact O-N 2.99Å; D105-R107 PolarHBondContact O-N 2.83Å; D105-R107 WeakPolarHBondContact OD1-CB 3.29Å; D105-R107 PolarHBondContact OD1-N 2.86Å; D105-R107 WeakPolarHBondContact OD2-CD 3.44Å; D105-R107 VanDerWaalsContact OD2-CG 3.31Å; D105-R107 WeakPolarHBondContact OD2-CG 3.28Å; D105-R107 IonicContact OD2-CZ 3.52Å; D105-R107 IonicContact OD2-NE 3.66Å; D105-R107 PolarHBondContact OD2-NE 2.62Å; D105-R107 IonicContact OD2-NH1 3.86Å; D105-R107 PolarHBondContact OD2-NH1 2.62Å; D105-R107 VanDerWaalsContact OD2-NH1 3.14Å
106G95.1Very high98Very high13 Ų1344.3 Ų44.313%0.13422%0.219CC..  trans71.44.4-17700000114G103 P104 R168G103-G106 WeakPolarHBondContact O-CA 3.41Å; G103-G106 PolarHBondContact O-N 2.72Å; P104-G106 PolarHBondContact O-N 3.29Å; G106-R168 PolarHBondContact O-NE 3.43Å; G106-R168 PolarHBondContact O-NH2 2.87Å
107R97.6Very high98Very high169 Ų16944.6 Ų44.664%0.63822%0.22SC*.  trans-76.8147.1-179.7-65.9-173.4-173144.4-7.3111.3V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.5Å; V102-R107 WeakPolarHBondContact CA-O 3.44Å; V102-R107 WeakPolarHBondContact CB-O 3.42Å; G103-R107 PolarHBondContact N-O 2.82Å; D105-R107 PolarHBondContact O-N 2.83Å; D105-R107 WeakPolarHBondContact OD1-CB 3.29Å; D105-R107 PolarHBondContact OD1-N 2.86Å; D105-R107 WeakPolarHBondContact OD2-CD 3.44Å; D105-R107 VanDerWaalsContact OD2-CG 3.31Å; D105-R107 WeakPolarHBondContact OD2-CG 3.28Å; D105-R107 IonicContact OD2-CZ 3.52Å; D105-R107 IonicContact OD2-NE 3.66Å; D105-R107 PolarHBondContact OD2-NE 2.62Å; D105-R107 IonicContact OD2-NH1 3.86Å; D105-R107 PolarHBondContact OD2-NH1 2.62Å; D105-R107 VanDerWaalsContact OD2-NH1 3.14Å; R107-L109 PolarHBondContact O-N 3.18Å
108F98.5Very high98Very high62 Ų6246.7 Ų46.727%0.27223%0.231SC..EExtended strand (participates in β ladder)trans-55.6127.9175.9-179.9-97.7000110.7C100 R110 L129 L159 E160 V164C100-F108 HydrophobicContact CB-CD2 4.38Å; C100-F108 HydrophobicContact CB-CE2 4.19Å; F108-R110 VanDerWaalsContact CE2-C 3.41Å; F108-R110 VanDerWaalsContact CE2-O 3.29Å; F108-R110 WeakPolarHBondContact CE2-O 3.2Å; F108-L129 HydrophobicContact CE1-CD1 4.15Å; F108-L129 HydrophobicContact CZ-CD1 3.72Å; F108-L159 HydrophobicContact CE2-CB 4.43Å; F108-E160 HydrophobicContact CD1-CG 4.36Å; F108-E160 HydrophobicContact CE1-CG 4.25Å; F108-E160 HydrophobicContact CZ-CG 4.35Å; F108-V164 HydrophobicContact CB-CG2 4.07Å; F108-V164 HydrophobicContact CD2-CG2 3.73Å; F108-V164 HydrophobicContact CG-CG2 4.39Å
109L98.1Very high97.9Very high110 Ų11048.1 Ų48.158%0.57625%0.254SS*.EExtended strand (participates in β ladder)trans-106.8-48.9173.3-66.7179.6000111.2D101 R107D101-L109 HydrophobicContact CB-CB 4.45Å; D101-L109 PolarHBondContact O-N 3.28Å; R107-L109 PolarHBondContact O-N 3.18Å
110R97.9Very high97.9Very high93 Ų9355.9 Ų55.935%0.35129%0.288SS..EExtended strand (participates in β ladder)trans-156.7151-172.7-173.6165.1170.1149.97111.1C100 D101 F108 Y112 E127C100-R110 CarbonylContact C-O 3.55Å; C100-R110 WeakPolarHBondContact CA-O 3.41Å; D101-R110 HydrophobicContact CB-CB 4.48Å; D101-R110 PolarHBondContact N-O 2.89Å; D101-R110 PolarHBondContact O-N 2.86Å; F108-R110 VanDerWaalsContact CE2-C 3.41Å; F108-R110 VanDerWaalsContact CE2-O 3.29Å; F108-R110 WeakPolarHBondContact CE2-O 3.2Å; R110-Y112 HydrophobicContact CB-CE2 4.27Å; R110-Y112 VanDerWaalsContact CD-OH 3.24Å; R110-Y112 WeakPolarHBondContact CD-OH 3.2Å; R110-Y112 HydrophobicContact CG-CE1 4.17Å; R110-Y112 HydrophobicContact CG-CE2 3.89Å; R110-Y112 VanDerWaalsContact NE-CE1 3.26Å; R110-Y112 PolarHBondContact NE-OH 3.36Å; R110-E127 VanDerWaalsContact CZ-CG 3.48Å; R110-E127 IonicContact CZ-OE1 3.55Å; R110-E127 IonicContact NH1-OE1 3.53Å; R110-E127 PolarHBondContact NH1-OE1 2.77Å; R110-E127 IonicContact NH1-OE2 3.96Å; R110-E127 VanDerWaalsContact NH2-CD 3.29Å; R110-E127 VanDerWaalsContact NH2-CG 3.26Å; R110-E127 IonicContact NH2-OE1 3.63Å; R110-E127 PolarHBondContact NH2-OE1 2.86Å
111G98.4Very high97.9Very high4 Ų462.1 Ų62.14%0.04132%0.321CS..EExtended strand (participates in β ladder)trans-128153.8176.700000110.3G99G99-G111 CarbonylContact O-C 3.53Å; G99-G111 WeakPolarHBondContact O-CA 3.43Å
112Y98.6Very high97.9Very high41 Ų4161.2 Ų61.216%0.16132%0.316CS..EExtended strand (participates in β ladder)trans-134.3141-177.1-52.9-96.2000109.6M97 Y98 G99 D101 R110M97-Y112 HydrophobicContact CE-CD1 4.16Å; M97-Y112 HydrophobicContact CE-CG 4.05Å; Y98-Y112 CarbonylContact C-O 3.57Å; Y98-Y112 WeakPolarHBondContact CA-O 3.46Å; Y98-Y112 WeakPolarHBondContact CB-O 3.47Å; G99-Y112 PolarHBondContact N-O 3.27Å; G99-Y112 PolarHBondContact O-N 2.81Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.3Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.32Å; D101-Y112 PolarHBondContact OD2-OH 3.49Å; R110-Y112 HydrophobicContact CB-CE2 4.27Å; R110-Y112 VanDerWaalsContact CD-OH 3.24Å; R110-Y112 WeakPolarHBondContact CD-OH 3.2Å; R110-Y112 HydrophobicContact CG-CE1 4.17Å; R110-Y112 HydrophobicContact CG-CE2 3.89Å; R110-Y112 VanDerWaalsContact NE-CE1 3.26Å; R110-Y112 PolarHBondContact NE-OH 3.36Å
113R98.5Very high97.9Very high21 Ų2161.4 Ų61.48%0.07932%0.317CS..EExtended strand (participates in β ladder)trans-149.8111.5159.9170.862.1-168.4-143.11.7106.8M97 D115 L125 W132 Q155M97-R113 CarbonylContact O-C 3.54Å; M97-R113 WeakPolarHBondContact O-CA 3.42Å; R113-D115 IonicContact CZ-OD1 3.38Å; R113-D115 IonicContact CZ-OD2 2.84Å; R113-D115 IonicContact NE-OD1 3.09Å; R113-D115 PolarHBondContact NE-OD1 3.2Å; R113-D115 IonicContact NE-OD2 3.14Å; R113-D115 IonicContact NH2-OD1 2.84Å; R113-D115 PolarHBondContact NH2-OD1 2.9Å; R113-D115 IonicContact NH2-OD2 3.47Å; R113-D115 PolarHBondContact NH2-OD2 3.35Å; R113-L125 HydrophobicContact CB-CB 3.97Å; R113-L125 HydrophobicContact CB-CD2 4.24Å; R113-L125 WeakPolarHBondContact O-CB 3.46Å; R113-L125 PolarHBondContact O-N 2.86Å; R113-W132 HydrophobicContact CG-CH2 4.06Å; R113-W132 HydrophobicContact CG-CZ3 4.09Å; R113-Q155 HydrophobicContact CG-CG 4.48Å
114Q98.6Very high98Very high81 Ų8162.7 Ų62.738%0.37933%0.327SS..EExtended strand (participates in β ladder)trans-141.9139.2-179.666.3-166.835.900110.6I96 M97 I123 A124I96-Q114 WeakPolarHBondContact CA-O 3.3Å; M97-Q114 HydrophobicContact CB-CG 4.08Å; M97-Q114 VanDerWaalsContact CE-CD 3.4Å; M97-Q114 HydrophobicContact CE-CG 3.88Å; M97-Q114 VanDerWaalsContact CE-NE2 3.33Å; M97-Q114 PolarHBondContact N-O 2.89Å; M97-Q114 PolarHBondContact O-N 2.87Å; Q114-I123 WeakPolarHBondContact CA-O 3.38Å; Q114-A124 HydrophobicContact CB-CB 3.9Å
115D98.8Very high98.2Very high16 Ų1657.2 Ų57.29%0.08629%0.291CS..EExtended strand (participates in β ladder)trans-123.8140.4-174.3-57.318.7000107.7Q95 I96 R113 Y122 I123Q95-D115 CarbonylContact O-C 3.58Å; Q95-D115 VanDerWaalsContact O-CA 3.28Å; Q95-D115 WeakPolarHBondContact O-CA 3.32Å; I96-D115 HydrophobicContact CG1-CB 4.35Å; R113-D115 IonicContact CZ-OD1 3.38Å; R113-D115 IonicContact CZ-OD2 2.84Å; R113-D115 IonicContact NE-OD1 3.09Å; R113-D115 PolarHBondContact NE-OD1 3.2Å; R113-D115 IonicContact NE-OD2 3.14Å; R113-D115 IonicContact NH2-OD1 2.84Å; R113-D115 PolarHBondContact NH2-OD1 2.9Å; R113-D115 IonicContact NH2-OD2 3.47Å; R113-D115 PolarHBondContact NH2-OD2 3.35Å; D115-Y122 WeakPolarHBondContact O-CA 3.12Å; D115-Y122 VanDerWaalsContact O-CB 3.32Å; D115-Y122 WeakPolarHBondContact O-CB 3.44Å; D115-Y122 PolarHBondContact O-N 3.42Å; D115-I123 HydrophobicContact CB-CG2 4.12Å; D115-I123 PolarHBondContact N-O 2.83Å; D115-I123 PolarHBondContact O-N 3.04Å
116A98.9Very high98.4Very high17 Ų1755 Ų5514%0.1428%0.279CS..EExtended strand (participates in β ladder)trans-126.7147.4177.700000110.4I94 Q95 K120I94-A116 WeakPolarHBondContact CA-O 3.47Å; Q95-A116 HydrophobicContact CB-CB 4.33Å; Q95-A116 PolarHBondContact N-O 3.26Å; Q95-A116 PolarHBondContact O-N 3.08Å; A116-K120 CarbonylContact C-O 3.58Å; A116-K120 WeakPolarHBondContact CA-O 3.29Å; A116-K120 VanDerWaalsContact CB-O 3.22Å; A116-K120 WeakPolarHBondContact CB-O 3.28Å
117Y98.8Very high98.5Very high11 Ų1160.8 Ų60.84%0.04330%0.302CS..EExtended strand (participates in β ladder)trans-125.1127.2177.2-173.9-117.4000110.1L77 L80 Y84 Q86 H92 T93 I94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.36Å; L80-Y117 HydrophobicContact CB-CD2 4.13Å; L80-Y117 HydrophobicContact CB-CE1 4.23Å; L80-Y117 HydrophobicContact CB-CE2 3.75Å; L80-Y117 HydrophobicContact CD1-CD2 3.44Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.44Å; L80-Y117 HydrophobicContact CD1-CE2 3.81Å; L80-Y117 HydrophobicContact CD1-CG 3.97Å; L80-Y117 HydrophobicContact CG-CD2 4.38Å; L80-Y117 HydrophobicContact CG-CE2 4.43Å; Y84-Y117 AromaticContact CD2-CD1 3.69Å; Y84-Y117 HydrophobicContact CD2-CD1 3.69Å; Y84-Y117 AromaticContact CD2-CE1 3.48Å; Y84-Y117 HydrophobicContact CD2-CE1 3.48Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.48Å; Y84-Y117 AromaticContact CE2-CD1 3.48Å; Y84-Y117 HydrophobicContact CE2-CD1 3.48Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.48Å; Y84-Y117 AromaticContact CE2-CE1 3.81Å; Y84-Y117 HydrophobicContact CE2-CE1 3.81Å; Y84-Y117 HydrophobicContact CE2-CG 4.39Å; Y84-Y117 HydrophobicContact CG-CE1 4.33Å; Q86-Y117 VanDerWaalsContact OE1-CE1 3.31Å; Q86-Y117 PolarHBondContact OE1-OH 3.39Å; H92-Y117 HydrophobicContact CB-CE2 3.9Å; H92-Y117 WeakPolarHBondContact CB-OH 3.49Å; H92-Y117 VanDerWaalsContact CG-OH 3.22Å; H92-Y117 AromaticContact ND1-CZ 3.96Å; H92-Y117 PolarHBondContact ND1-OH 3.47Å; T93-Y117 CarbonylContact O-C 3.58Å; T93-Y117 WeakPolarHBondContact O-CA 3.44Å; T93-Y117 VanDerWaalsContact O-CD2 3.3Å; T93-Y117 WeakPolarHBondContact O-CD2 3.36Å; I94-Y117 HydrophobicContact CG1-CD2 4Å; I94-Y117 HydrophobicContact CG1-CE2 4.44Å; Y117-G119 PolarHBondContact O-N 3.34Å; Y117-K120 PolarHBondContact N-O 2.76Å; Y117-K120 PolarHBondContact O-N 3.04Å
118D98.4Very high98.5Very high62 Ų6256.5 Ų56.533%0.33229%0.292SS..THydrogen-bonded Turntrans49.340.5-175.9-66.3-21.5000113.3Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 2.72Å; H92-D118 WeakPolarHBondContact CA-OD1 3.5Å; H92-D118 IonicContact CE1-OD2 3.37Å; H92-D118 IonicContact CG-OD1 3.76Å; H92-D118 IonicContact CG-OD2 3.6Å; H92-D118 IonicContact ND1-OD1 2.98Å; H92-D118 IonicContact ND1-OD2 2.7Å; H92-D118 PolarHBondContact ND1-OD2 3.29Å; T93-D118 PolarHBondContact N-OD1 2.82Å; T93-D118 PolarHBondContact O-N 2.84Å; D118-K120 VanDerWaalsContact C-N 3.32Å; D118-K120 PolarHBondContact O-N 2.84Å
119G97.9Very high98.5Very high58 Ų5853.7 Ų53.760%0.59828%0.28SS*.THydrogen-bonded Turntrans77.68.5177.500000115.4Y117Y117-G119 PolarHBondContact O-N 3.34Å
120K98.6Very high98.5Very high162 Ų16256.2 Ų56.270%0.70428%0.282SS*.EExtended strand (participates in β ladder)trans-115.2144.8176.3-62.5-179.8-177.1176.60110.8A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.58Å; A116-K120 WeakPolarHBondContact CA-O 3.29Å; A116-K120 VanDerWaalsContact CB-O 3.22Å; A116-K120 WeakPolarHBondContact CB-O 3.28Å; Y117-K120 PolarHBondContact N-O 2.76Å; Y117-K120 PolarHBondContact O-N 3.04Å; D118-K120 VanDerWaalsContact C-N 3.32Å; D118-K120 PolarHBondContact O-N 2.84Å; K120-Y122 PolarHBondContact O-N 2.94Å
121D98.8Very high98.5Very high131 Ų13153.6 Ų53.670%0.70128%0.278SS*.EExtended strand (participates in β ladder)trans-51.6133.6173.2-68.2-20.8000110.4A135D121-A135 HydrophobicContact CB-CB 4.4Å; D121-A135 WeakPolarHBondContact O-CB 3.38Å
122Y98.9Very high98.5Very high11 Ų1153.7 Ų53.74%0.04328%0.277CS..EExtended strand (participates in β ladder)trans-112.9-62.7178.8179.4-107.8000110.2L80 Y84 D115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD2 4.3Å; L80-Y122 HydrophobicContact CD2-CE1 3.83Å; L80-Y122 HydrophobicContact CD2-CE2 3.54Å; L80-Y122 VanDerWaalsContact CD2-OH 3.27Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.37Å; Y84-Y122 HydrophobicContact CE2-CD2 4.36Å; Y84-Y122 HydrophobicContact CE2-CE2 4.06Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.35Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.28Å; D115-Y122 WeakPolarHBondContact O-CA 3.12Å; D115-Y122 VanDerWaalsContact O-CB 3.32Å; D115-Y122 WeakPolarHBondContact O-CB 3.44Å; D115-Y122 PolarHBondContact O-N 3.42Å; K120-Y122 PolarHBondContact O-N 2.94Å; Y122-A135 WeakPolarHBondContact O-CB 3.18Å; Y122-A135 PolarHBondContact O-N 3.01Å; Y122-A138 HydrophobicContact CE2-CB 4.39Å; Y122-A138 PolarHBondContact OH-O 2.87Å; Y122-A139 HydrophobicContact CD1-CB 4.49Å; Y122-A139 HydrophobicContact CD2-CB 3.79Å; Y122-A139 HydrophobicContact CE1-CB 4.36Å; Y122-A139 HydrophobicContact CE2-CB 3.65Å; Y122-A139 HydrophobicContact CG-CB 4.21Å; Y122-A139 WeakPolarHBondContact O-CB 3.3Å; Y122-T142 HydrophobicContact CE1-CG2 4.19Å; Y122-T142 PolarHBondContact OH-OG1 2.89Å
123I98.8Very high98.5Very high4 Ų455.4 Ų55.42%0.02129%0.292CS..EExtended strand (participates in β ladder)trans-148.7141.7178.6-162.3172.7000110.7Q114 D115 W132 T133 T142 K143 W146Q114-I123 WeakPolarHBondContact CA-O 3.38Å; D115-I123 HydrophobicContact CB-CG2 4.12Å; D115-I123 PolarHBondContact N-O 2.83Å; D115-I123 PolarHBondContact O-N 3.04Å; I123-W132 HydrophobicContact CD1-CB 4.18Å; I123-W132 HydrophobicContact CD1-CD2 4.47Å; I123-W132 HydrophobicContact CD1-CE3 4.31Å; I123-W132 HydrophobicContact CD1-CG 4.44Å; I123-W132 HydrophobicContact CG1-CB 4.26Å; I123-W132 HydrophobicContact CG1-CE3 4.13Å; I123-T133 CarbonylContact C-O 3.53Å; I123-T133 WeakPolarHBondContact CA-O 3.38Å; I123-T133 WeakPolarHBondContact CG1-O 3.34Å; I123-T142 HydrophobicContact CD1-CG2 4.08Å; I123-K143 HydrophobicContact CD1-CB 3.88Å; I123-W146 HydrophobicContact CD1-CE3 4.07Å; I123-W146 HydrophobicContact CD1-CZ3 4.31Å; I123-W146 HydrophobicContact CG2-CH2 4.05Å; I123-W146 HydrophobicContact CG2-CZ3 3.76Å
124A98.9Very high98.6Very high30 Ų3055.2 Ų55.225%0.24830%0.295CS..EExtended strand (participates in β ladder)trans-135.3139.3179.100000111.7Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.9Å; A124-W132 CarbonylContact O-C 3.6Å; A124-W132 WeakPolarHBondContact O-CA 3.48Å; A124-T133 PolarHBondContact N-O 2.88Å; A124-T133 PolarHBondContact O-N 2.99Å
125L98.9Very high98.6Very high14 Ų1454.2 Ų54.27%0.07330%0.3CS..EExtended strand (participates in β ladder)trans-72.5125.9168.5-174.364.4000108.2R113 L129 W132 A152 Q155 L159R113-L125 HydrophobicContact CB-CB 3.97Å; R113-L125 HydrophobicContact CB-CD2 4.24Å; R113-L125 WeakPolarHBondContact O-CB 3.46Å; R113-L125 PolarHBondContact O-N 2.86Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.71Å; L125-L129 HydrophobicContact CG-CD2 4.21Å; L125-W132 HydrophobicContact CB-CE3 3.91Å; L125-W132 HydrophobicContact CB-CH2 3.99Å; L125-W132 HydrophobicContact CB-CZ3 3.55Å; L125-W132 HydrophobicContact CD1-CD2 4.09Å; L125-W132 HydrophobicContact CD1-CE3 4.24Å; L125-W132 HydrophobicContact CD1-CH2 4.01Å; L125-W132 HydrophobicContact CD1-CZ2 3.86Å; L125-W132 HydrophobicContact CD1-CZ3 4.18Å; L125-W132 HydrophobicContact CG-CH2 4.44Å; L125-W132 HydrophobicContact CG-CZ3 4.41Å; L125-A152 HydrophobicContact CD1-CB 3.95Å; L125-Q155 HydrophobicContact CD2-CB 3.89Å; L125-L159 HydrophobicContact CD2-CD1 3.96Å
126N98.7Very high98.5Very high46 Ų4656.2 Ų56.225%0.24631%0.311CS..  trans-70.2163.1179.3-67.4-30.9000111D128 L129 S131 T133N126-D128 PolarHBondContact O-N 3.06Å; N126-L129 PolarHBondContact O-N 3.24Å; N126-S131 WeakPolarHBondContact CB-O 3.5Å; N126-S131 PolarHBondContact N-O 2.71Å; N126-S131 PolarHBondContact ND2-O 2.77Å; N126-S131 PolarHBondContact ND2-OG 3.03Å; N126-T133 PolarHBondContact ND2-OG1 2.94Å; N126-T133 WeakPolarHBondContact OD1-CB 3.35Å; N126-T133 PolarHBondContact OD1-OG1 3.28Å
127E97.9Very high98.5Very high133 Ų13362.2 Ų62.262%0.62134%0.338SS*.THydrogen-bonded Turntrans-58-23.4-179.6-65.9-178.8-164.400113.6R110 L129R110-E127 VanDerWaalsContact CZ-CG 3.48Å; R110-E127 IonicContact CZ-OE1 3.55Å; R110-E127 IonicContact NH1-OE1 3.53Å; R110-E127 PolarHBondContact NH1-OE1 2.77Å; R110-E127 IonicContact NH1-OE2 3.96Å; R110-E127 VanDerWaalsContact NH2-CD 3.29Å; R110-E127 VanDerWaalsContact NH2-CG 3.26Å; R110-E127 IonicContact NH2-OE1 3.63Å; R110-E127 PolarHBondContact NH2-OE1 2.86Å; E127-L129 PolarHBondContact O-N 2.92Å
128D97.9Very high98.5Very high79 Ų7962.1 Ų62.142%0.42234%0.339SS..THydrogen-bonded Turntrans-69.8-9.6174.969.17.7000114N126 R130 S131N126-D128 PolarHBondContact O-N 3.06Å; D128-R130 WeakPolarHBondContact O-CG 3.46Å; D128-R130 PolarHBondContact O-N 3.17Å; D128-R130 PolarHBondContact OD1-N 3.48Å; D128-S131 VanDerWaalsContact CG-OG 3.28Å; D128-S131 PolarHBondContact OD1-N 2.92Å; D128-S131 PolarHBondContact OD1-OG 2.86Å; D128-S131 WeakPolarHBondContact OD2-CB 3.44Å; D128-S131 PolarHBondContact OD2-OG 2.89Å
129L98.4Very high98.5Very high3 Ų359.1 Ų59.12%0.01632%0.323CS..SBendtrans52.927.6-174.1-54.6-175.3000114.4F108 L125 N126 E127 R156 L159 E160F108-L129 HydrophobicContact CE1-CD1 4.15Å; F108-L129 HydrophobicContact CZ-CD1 3.72Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.71Å; L125-L129 HydrophobicContact CG-CD2 4.21Å; N126-L129 PolarHBondContact O-N 3.24Å; E127-L129 PolarHBondContact O-N 2.92Å; L129-R156 HydrophobicContact CB-CB 4.02Å; L129-R156 HydrophobicContact CB-CG 3.88Å; L129-R156 HydrophobicContact CD1-CB 4.49Å; L129-R156 HydrophobicContact CD1-CG 3.99Å; L129-L159 HydrophobicContact CD1-CB 4.42Å; L129-L159 HydrophobicContact CD2-CD1 3.9Å; L129-E160 HydrophobicContact CD1-CG 4.03Å
130R97.9Very high98.5Very high164 Ų16459.1 Ų59.162%0.61931%0.308SS*.SBendtrans-132.6-30.3-174.3-71169.8-175.4-93.811.9112.5D128 A152D128-R130 WeakPolarHBondContact O-CG 3.46Å; D128-R130 PolarHBondContact O-N 3.17Å; D128-R130 PolarHBondContact OD1-N 3.48Å; R130-A152 WeakPolarHBondContact O-CB 3.46Å
131S98.3Very high98.5Very high38 Ų3854.3 Ų54.327%0.26629%0.289SS..  trans-119.7159-175.966.30000112.1N126 D128N126-S131 WeakPolarHBondContact CB-O 3.5Å; N126-S131 PolarHBondContact N-O 2.71Å; N126-S131 PolarHBondContact ND2-O 2.77Å; N126-S131 PolarHBondContact ND2-OG 3.03Å; D128-S131 VanDerWaalsContact CG-OG 3.28Å; D128-S131 PolarHBondContact OD1-N 2.92Å; D128-S131 PolarHBondContact OD1-OG 2.86Å; D128-S131 WeakPolarHBondContact OD2-CB 3.44Å; D128-S131 PolarHBondContact OD2-OG 2.89Å
132W98.8Very high98.5Very high5 Ų548.9 Ų48.92%0.01926%0.261CS..EExtended strand (participates in β ladder)trans-117139.7-178.1-59.292.3000111.5R113 I123 A124 L125 K143 W146 A151 A152 Q155R113-W132 HydrophobicContact CG-CH2 4.06Å; R113-W132 HydrophobicContact CG-CZ3 4.09Å; I123-W132 HydrophobicContact CD1-CB 4.18Å; I123-W132 HydrophobicContact CD1-CD2 4.47Å; I123-W132 HydrophobicContact CD1-CE3 4.31Å; I123-W132 HydrophobicContact CD1-CG 4.44Å; I123-W132 HydrophobicContact CG1-CB 4.26Å; I123-W132 HydrophobicContact CG1-CE3 4.13Å; A124-W132 CarbonylContact O-C 3.6Å; A124-W132 WeakPolarHBondContact O-CA 3.48Å; L125-W132 HydrophobicContact CB-CE3 3.91Å; L125-W132 HydrophobicContact CB-CH2 3.99Å; L125-W132 HydrophobicContact CB-CZ3 3.55Å; L125-W132 HydrophobicContact CD1-CD2 4.09Å; L125-W132 HydrophobicContact CD1-CE3 4.24Å; L125-W132 HydrophobicContact CD1-CH2 4.01Å; L125-W132 HydrophobicContact CD1-CZ2 3.86Å; L125-W132 HydrophobicContact CD1-CZ3 4.18Å; L125-W132 HydrophobicContact CG-CH2 4.44Å; L125-W132 HydrophobicContact CG-CZ3 4.41Å; W132-K143 HydrophobicContact CB-CD 4.24Å; W132-K143 HydrophobicContact CB-CG 4.14Å; W132-K143 WeakPolarHBondContact O-CE 3.19Å; W132-K143 PolarHBondContact O-NZ 3.32Å; W132-W146 AromaticContact CD2-CE3 3.84Å; W132-W146 HydrophobicContact CD2-CE3 3.84Å; W132-W146 HydrophobicContact CD2-CZ3 4.34Å; W132-W146 AromaticContact CE2-CE3 3.7Å; W132-W146 AromaticContact CE3-CE3 3.75Å; W132-W146 HydrophobicContact CE3-CE3 3.75Å; W132-W146 AromaticContact CE3-CZ3 3.77Å; W132-W146 HydrophobicContact CE3-CZ3 3.77Å; W132-W146 AromaticContact CH2-CE3 3.42Å; W132-W146 HydrophobicContact CH2-CE3 3.42Å; W132-W146 VanDerWaalsContact CH2-CE3 3.42Å; W132-W146 HydrophobicContact CH2-CH2 4.46Å; W132-W146 AromaticContact CH2-CZ3 3.36Å; W132-W146 HydrophobicContact CH2-CZ3 3.36Å; W132-W146 HydrophobicContact CZ2-CD2 4.42Å; W132-W146 AromaticContact CZ2-CE3 3.49Å; W132-W146 HydrophobicContact CZ2-CE3 3.49Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.49Å; W132-W146 AromaticContact CZ2-CZ3 3.96Å; W132-W146 HydrophobicContact CZ2-CZ3 3.96Å; W132-W146 AromaticContact CZ3-CE3 3.56Å; W132-W146 HydrophobicContact CZ3-CE3 3.56Å; W132-W146 HydrophobicContact CZ3-CH2 4.45Å; W132-W146 AromaticContact CZ3-CZ3 3.26Å; W132-W146 HydrophobicContact CZ3-CZ3 3.26Å; W132-A151 HydrophobicContact CZ2-CB 4.36Å; W132-A152 HydrophobicContact CZ2-CB 4.28Å; W132-Q155 HydrophobicContact CH2-CG 4.22Å; W132-Q155 HydrophobicContact CZ2-CG 4.48Å
133T98.8Very high98.5Very high78 Ų7850.4 Ų50.448%0.47927%0.268SS..EExtended strand (participates in β ladder)trans-100.6123.1165.5-660000108.9I123 A124 N126I123-T133 CarbonylContact C-O 3.53Å; I123-T133 WeakPolarHBondContact CA-O 3.38Å; I123-T133 WeakPolarHBondContact CG1-O 3.34Å; A124-T133 PolarHBondContact N-O 2.88Å; A124-T133 PolarHBondContact O-N 2.99Å; N126-T133 PolarHBondContact ND2-OG1 2.94Å; N126-T133 WeakPolarHBondContact OD1-CB 3.35Å; N126-T133 PolarHBondContact OD1-OG1 3.28Å
134A98.8Very high98.5Very high16 Ų1657.5 Ų57.513%0.13229%0.294CS..EExtended strand (participates in β ladder)trans-106.5131.9177.700000109.1A139 Q140 K143A134-A139 HydrophobicContact CB-CB 3.69Å; A134-Q140 HydrophobicContact CB-CG 4.15Å; A134-K143 HydrophobicContact CB-CB 4.31Å; A134-K143 HydrophobicContact CB-CD 4.22Å
135A98.6Very high98.5Very high60 Ų6061.7 Ų61.750%0.49631%0.307SS..SBendtrans-73.5-32.1-173.300000113.3D121 Y122D121-A135 HydrophobicContact CB-CB 4.4Å; D121-A135 WeakPolarHBondContact O-CB 3.38Å; Y122-A135 WeakPolarHBondContact O-CB 3.18Å; Y122-A135 PolarHBondContact O-N 3.01Å
136D98.3Very high98.4Very high58 Ų5864 Ų6431%0.3131%0.314SS..SBendtrans-150-175.4-17866.827.8000113Y84 A138 A139 Q140Y84-D136 WeakPolarHBondContact CE1-OD2 3.2Å; Y84-D136 VanDerWaalsContact OH-CG 3.26Å; Y84-D136 PolarHBondContact OH-OD1 3.07Å; Y84-D136 PolarHBondContact OH-OD2 2.99Å; D136-A138 VanDerWaalsContact C-N 3.29Å; D136-A138 PolarHBondContact O-N 3.35Å; D136-A138 WeakPolarHBondContact OD1-CA 3.43Å; D136-A138 WeakPolarHBondContact OD1-CB 3.35Å; D136-A138 PolarHBondContact OD1-N 3.23Å; D136-A139 PolarHBondContact O-N 3.33Å; D136-A139 PolarHBondContact OD1-N 2.84Å; D136-Q140 VanDerWaalsContact O-CG 3.3Å; D136-Q140 WeakPolarHBondContact O-CG 3.42Å; D136-Q140 PolarHBondContact O-N 2.6Å
137M98Very high98.4Very high143 Ų14366.1 Ų66.170%0.70432%0.323SS*.Hα-helixtrans-65.5-27.3-179.1-68.9-58.8-62.900114.1
138A98.1Very high98.5Very high9 Ų963.7 Ų63.77%0.07433%0.325CS..Hα-helixtrans-72.2-46.4174.700000109.9Y83 Y84 Y122 D136 Q140 I141Y83-A138 HydrophobicContact CD2-CB 4.4Å; Y84-A138 HydrophobicContact CD1-CB 4.21Å; Y84-A138 HydrophobicContact CD2-CB 4.42Å; Y84-A138 HydrophobicContact CE1-CB 3.65Å; Y84-A138 HydrophobicContact CE2-CB 3.88Å; Y84-A138 VanDerWaalsContact CZ-CB 3.47Å; Y122-A138 HydrophobicContact CE2-CB 4.39Å; Y122-A138 PolarHBondContact OH-O 2.87Å; D136-A138 VanDerWaalsContact C-N 3.29Å; D136-A138 PolarHBondContact O-N 3.35Å; D136-A138 WeakPolarHBondContact OD1-CA 3.43Å; D136-A138 WeakPolarHBondContact OD1-CB 3.35Å; D136-A138 PolarHBondContact OD1-N 3.23Å; A138-Q140 PolarHBondContact O-N 2.88Å; A138-I141 VanDerWaalsContact O-CB 3.26Å; A138-I141 WeakPolarHBondContact O-CB 3.22Å; A138-I141 PolarHBondContact O-N 3.2Å
139A98.6Very high98.5Very high0 Ų062.8 Ų62.80%033%0.329CS..Hα-helixtrans-60.4-31174.800000113.4Y122 A134 D136 I141 T142 K143Y122-A139 HydrophobicContact CD1-CB 4.49Å; Y122-A139 HydrophobicContact CD2-CB 3.79Å; Y122-A139 HydrophobicContact CE1-CB 4.36Å; Y122-A139 HydrophobicContact CE2-CB 3.65Å; Y122-A139 HydrophobicContact CG-CB 4.21Å; Y122-A139 WeakPolarHBondContact O-CB 3.3Å; A134-A139 HydrophobicContact CB-CB 3.69Å; D136-A139 PolarHBondContact O-N 3.33Å; D136-A139 PolarHBondContact OD1-N 2.84Å; A139-I141 PolarHBondContact O-N 2.91Å; A139-T142 PolarHBondContact O-N 2.94Å; A139-T142 VanDerWaalsContact O-N 3.15Å; A139-K143 PolarHBondContact O-N 2.78Å
140Q98.7Very high98.4Very high58 Ų5867.9 Ų67.927%0.27135%0.353SS..Hα-helixtrans-60.3-29.4172.6-70-72.9-16.400112.7A134 D136 A138 R144A134-Q140 HydrophobicContact CB-CG 4.15Å; D136-Q140 VanDerWaalsContact O-CG 3.3Å; D136-Q140 WeakPolarHBondContact O-CG 3.42Å; D136-Q140 PolarHBondContact O-N 2.6Å; A138-Q140 PolarHBondContact O-N 2.88Å; Q140-R144 WeakPolarHBondContact O-CG 3.13Å; Q140-R144 PolarHBondContact O-N 2.98Å; Q140-R144 VanDerWaalsContact O-N 3.11Å
141I98.6Very high98.4Very high61 Ų6160.9 Ų60.931%0.31333%0.33SS..Hα-helixtrans-67.4-46.6175-55.5170.8000109.7Y83 A138 A139 R144 K145Y83-I141 HydrophobicContact CD1-CD1 4.06Å; Y83-I141 HydrophobicContact CD2-CD1 4.44Å; Y83-I141 HydrophobicContact CE1-CD1 4.23Å; Y83-I141 HydrophobicContact CE1-CG2 3.99Å; Y83-I141 HydrophobicContact CE2-CB 4.05Å; Y83-I141 HydrophobicContact CE2-CG2 4.07Å; Y83-I141 HydrophobicContact CG-CD1 4.18Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.42Å; A138-I141 VanDerWaalsContact O-CB 3.26Å; A138-I141 WeakPolarHBondContact O-CB 3.22Å; A138-I141 PolarHBondContact O-N 3.2Å; A139-I141 PolarHBondContact O-N 2.91Å; I141-R144 PolarHBondContact O-N 2.88Å; I141-K145 WeakPolarHBondContact O-CG 3.48Å; I141-K145 PolarHBondContact O-N 3.4Å
142T98.6Very high98.4Very high17 Ų1759.5 Ų59.510%0.10432%0.32CS..Hα-helixtrans-61.8-45.4174.7-68.10000111.3Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.19Å; Y122-T142 PolarHBondContact OH-OG1 2.89Å; I123-T142 HydrophobicContact CD1-CG2 4.08Å; A139-T142 PolarHBondContact O-N 2.94Å; A139-T142 VanDerWaalsContact O-N 3.15Å; T142-R144 PolarHBondContact O-N 3.34Å; T142-K145 WeakPolarHBondContact O-CB 3.1Å; T142-K145 PolarHBondContact O-N 2.7Å; T142-K145 VanDerWaalsContact O-N 3.08Å; T142-W146 HydrophobicContact CG2-CD2 3.82Å; T142-W146 HydrophobicContact CG2-CE3 4.32Å; T142-W146 HydrophobicContact CG2-CG 4.14Å; T142-W146 HydrophobicContact CG2-CH2 4.49Å; T142-W146 HydrophobicContact CG2-CZ2 4.01Å; T142-W146 PolarHBondContact O-N 2.94Å
143K98.8Very high98.4Very high43 Ų4365.3 Ų65.319%0.18735%0.348CS..Hα-helixtrans-51.8-51.1177.1176171175170.80111.9I123 W132 A134 A139 K145 W146 E147I123-K143 HydrophobicContact CD1-CB 3.88Å; W132-K143 HydrophobicContact CB-CD 4.24Å; W132-K143 HydrophobicContact CB-CG 4.14Å; W132-K143 WeakPolarHBondContact O-CE 3.19Å; W132-K143 PolarHBondContact O-NZ 3.32Å; A134-K143 HydrophobicContact CB-CB 4.31Å; A134-K143 HydrophobicContact CB-CD 4.22Å; A139-K143 PolarHBondContact O-N 2.78Å; K143-K145 VanDerWaalsContact C-N 3.32Å; K143-K145 PolarHBondContact O-N 3.37Å; K143-W146 PolarHBondContact O-N 3.17Å; K143-E147 WeakPolarHBondContact CE-OE1 3.47Å; K143-E147 HydrophobicContact CG-CG 4.33Å; K143-E147 IonicContact NZ-OE1 3.57Å; K143-E147 WeakPolarHBondContact O-CB 3.31Å; K143-E147 WeakPolarHBondContact O-CG 3.45Å; K143-E147 PolarHBondContact O-N 3.23Å
144R98.7Very high98.3Very high152 Ų15268.1 Ų68.157%0.57436%0.356SS*.Hα-helixtrans-59.7-40.4178.7-69.8170.2-169.7158.64112.6Q140 I141 T142 A148Q140-R144 WeakPolarHBondContact O-CG 3.13Å; Q140-R144 PolarHBondContact O-N 2.98Å; Q140-R144 VanDerWaalsContact O-N 3.11Å; I141-R144 PolarHBondContact O-N 2.88Å; T142-R144 PolarHBondContact O-N 3.34Å; R144-A148 WeakPolarHBondContact O-CB 3.4Å; R144-A148 PolarHBondContact O-N 2.84Å
145K98.4Very high98.3Very high118 Ų11869.6 Ų69.651%0.51336%0.36SS..Hα-helixtrans-64.6-44.7176.9-70.7178.5175.6-176.80111.3Y83 I141 T142 K143 A148 A149Y83-K145 WeakPolarHBondContact OH-CE 3.46Å; Y83-K145 PolarHBondContact OH-NZ 2.98Å; I141-K145 WeakPolarHBondContact O-CG 3.48Å; I141-K145 PolarHBondContact O-N 3.4Å; T142-K145 WeakPolarHBondContact O-CB 3.1Å; T142-K145 PolarHBondContact O-N 2.7Å; T142-K145 VanDerWaalsContact O-N 3.08Å; K143-K145 VanDerWaalsContact C-N 3.32Å; K143-K145 PolarHBondContact O-N 3.37Å; K145-A148 PolarHBondContact O-N 3.14Å; K145-A149 VanDerWaalsContact O-CB 3.31Å; K145-A149 WeakPolarHBondContact O-CB 3.37Å; K145-A149 PolarHBondContact O-N 3.38Å
146W98.5Very high98.3Very high62 Ų6270.2 Ų70.224%0.23535%0.349CS..Hα-helixtrans-70.1-36.2-179.2-76.810.5000112.8I123 W132 T142 K143 A149 H150 A151I123-W146 HydrophobicContact CD1-CE3 4.07Å; I123-W146 HydrophobicContact CD1-CZ3 4.31Å; I123-W146 HydrophobicContact CG2-CH2 4.05Å; I123-W146 HydrophobicContact CG2-CZ3 3.76Å; W132-W146 AromaticContact CD2-CE3 3.84Å; W132-W146 HydrophobicContact CD2-CE3 3.84Å; W132-W146 HydrophobicContact CD2-CZ3 4.34Å; W132-W146 AromaticContact CE2-CE3 3.7Å; W132-W146 AromaticContact CE3-CE3 3.75Å; W132-W146 HydrophobicContact CE3-CE3 3.75Å; W132-W146 AromaticContact CE3-CZ3 3.77Å; W132-W146 HydrophobicContact CE3-CZ3 3.77Å; W132-W146 AromaticContact CH2-CE3 3.42Å; W132-W146 HydrophobicContact CH2-CE3 3.42Å; W132-W146 VanDerWaalsContact CH2-CE3 3.42Å; W132-W146 HydrophobicContact CH2-CH2 4.46Å; W132-W146 AromaticContact CH2-CZ3 3.36Å; W132-W146 HydrophobicContact CH2-CZ3 3.36Å; W132-W146 HydrophobicContact CZ2-CD2 4.42Å; W132-W146 AromaticContact CZ2-CE3 3.49Å; W132-W146 HydrophobicContact CZ2-CE3 3.49Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.49Å; W132-W146 AromaticContact CZ2-CZ3 3.96Å; W132-W146 HydrophobicContact CZ2-CZ3 3.96Å; W132-W146 AromaticContact CZ3-CE3 3.56Å; W132-W146 HydrophobicContact CZ3-CE3 3.56Å; W132-W146 HydrophobicContact CZ3-CH2 4.45Å; W132-W146 AromaticContact CZ3-CZ3 3.26Å; W132-W146 HydrophobicContact CZ3-CZ3 3.26Å; T142-W146 HydrophobicContact CG2-CD2 3.82Å; T142-W146 HydrophobicContact CG2-CE3 4.32Å; T142-W146 HydrophobicContact CG2-CG 4.14Å; T142-W146 HydrophobicContact CG2-CH2 4.49Å; T142-W146 HydrophobicContact CG2-CZ2 4.01Å; T142-W146 PolarHBondContact O-N 2.94Å; K143-W146 PolarHBondContact O-N 3.17Å; W146-A149 CarbonylContact O-C 3.58Å; W146-A149 PolarHBondContact O-N 3.26Å; W146-H150 PolarHBondContact O-N 3.39Å; W146-A151 HydrophobicContact CB-CB 3.87Å; W146-A151 HydrophobicContact CD2-CB 4.48Å; W146-A151 HydrophobicContact CG-CB 4.04Å; W146-A151 WeakPolarHBondContact O-CB 3.3Å; W146-A151 PolarHBondContact O-N 3.06Å
147E98.6Very high98.3Very high92 Ų9270.7 Ų70.743%0.4336%0.361SS..Hα-helixtrans-64.5-47.6172-73.9173.6162.400111.2K143 A149 H150K143-E147 WeakPolarHBondContact CE-OE1 3.47Å; K143-E147 HydrophobicContact CG-CG 4.33Å; K143-E147 IonicContact NZ-OE1 3.57Å; K143-E147 WeakPolarHBondContact O-CB 3.31Å; K143-E147 WeakPolarHBondContact O-CG 3.45Å; K143-E147 PolarHBondContact O-N 3.23Å; E147-A149 PolarHBondContact O-N 3.01Å; E147-H150 PolarHBondContact O-N 3.06Å
148A98.4Very high98.3Very high81 Ų8165.6 Ų65.667%0.66933%0.334SS*.Hα-helixtrans-62.2-29.4176.500000113.1R144 K145R144-A148 WeakPolarHBondContact O-CB 3.4Å; R144-A148 PolarHBondContact O-N 2.84Å; K145-A148 PolarHBondContact O-N 3.14Å
149A98.1Very high98.4Very high60 Ų6065.1 Ų65.150%0.49633%0.331SS..THydrogen-bonded Turntrans-91.23.1177.200000113.9K145 W146 E147 A151K145-A149 VanDerWaalsContact O-CB 3.31Å; K145-A149 WeakPolarHBondContact O-CB 3.37Å; K145-A149 PolarHBondContact O-N 3.38Å; W146-A149 CarbonylContact O-C 3.58Å; W146-A149 PolarHBondContact O-N 3.26Å; E147-A149 PolarHBondContact O-N 3.01Å; A149-A151 PolarHBondContact O-N 3.05Å
150H97.7Very high98.4Very high111 Ų11169 Ų6951%0.51435%0.349SS..THydrogen-bonded Turntrans53.133.9-176.3-63.6-95.3000113.7W146 E147 A152 E153W146-H150 PolarHBondContact O-N 3.39Å; E147-H150 PolarHBondContact O-N 3.06Å; H150-A152 PolarHBondContact O-N 3.46Å; H150-A152 VanDerWaalsContact O-N 3.16Å; H150-E153 HydrophobicContact CB-CG 4.42Å; H150-E153 IonicContact CE1-OE1 2.74Å; H150-E153 IonicContact CG-OE1 3Å; H150-E153 IonicContact ND1-OE1 3.52Å; H150-E153 PolarHBondContact ND1-OE1 2.84Å; H150-E153 WeakPolarHBondContact O-CB 3.45Å; H150-E153 PolarHBondContact O-N 3.03Å
151A98Very high98.4Very high17 Ų1767.2 Ų67.214%0.1435%0.346CS..Hα-helixtrans-60.8-30.6-173.100000113.1W132 W146 A149 E153 Q154 Q155W132-A151 HydrophobicContact CZ2-CB 4.36Å; W146-A151 HydrophobicContact CB-CB 3.87Å; W146-A151 HydrophobicContact CD2-CB 4.48Å; W146-A151 HydrophobicContact CG-CB 4.04Å; W146-A151 WeakPolarHBondContact O-CB 3.3Å; W146-A151 PolarHBondContact O-N 3.06Å; A149-A151 PolarHBondContact O-N 3.05Å; A151-E153 VanDerWaalsContact C-N 3.28Å; A151-E153 PolarHBondContact O-N 3.46Å; A151-Q154 PolarHBondContact O-N 3.35Å; A151-Q155 WeakPolarHBondContact O-CG 3.44Å; A151-Q155 PolarHBondContact O-N 3.23Å; A151-Q155 VanDerWaalsContact O-N 3.13Å
152A98.5Very high98.3Very high8 Ų871.2 Ų71.27%0.06636%0.357CS..Hα-helixtrans-61.1-35.7177.100000112.3L125 R130 W132 H150 Q154 Q155 R156L125-A152 HydrophobicContact CD1-CB 3.95Å; R130-A152 WeakPolarHBondContact O-CB 3.46Å; W132-A152 HydrophobicContact CZ2-CB 4.28Å; H150-A152 PolarHBondContact O-N 3.46Å; H150-A152 VanDerWaalsContact O-N 3.16Å; A152-Q154 VanDerWaalsContact C-N 3.34Å; A152-Q154 PolarHBondContact O-N 3.16Å; A152-Q155 PolarHBondContact O-N 3.07Å; A152-R156 VanDerWaalsContact O-CB 3.26Å; A152-R156 WeakPolarHBondContact O-CB 3.43Å; A152-R156 PolarHBondContact O-N 3.37Å
153E98.2Very high98.3Very high127 Ų12770.4 Ų70.459%0.59335%0.352SS*.Hα-helixtrans-66-38.9179.8-63.5174.7-158.600111.4H150 A151 A157H150-E153 HydrophobicContact CB-CG 4.42Å; H150-E153 IonicContact CE1-OE1 2.74Å; H150-E153 IonicContact CG-OE1 3Å; H150-E153 IonicContact ND1-OE1 3.52Å; H150-E153 PolarHBondContact ND1-OE1 2.84Å; H150-E153 WeakPolarHBondContact O-CB 3.45Å; H150-E153 PolarHBondContact O-N 3.03Å; A151-E153 VanDerWaalsContact C-N 3.28Å; A151-E153 PolarHBondContact O-N 3.46Å; E153-A157 WeakPolarHBondContact O-CB 3.27Å; E153-A157 PolarHBondContact O-N 3.35Å
154Q97Very high98.3Very high138 Ų13868.6 Ų68.665%0.64535%0.345SS*.Hα-helixtrans-67.3-43.8176-61.2-179.8900111.6A151 A152 A157 Y158A151-Q154 PolarHBondContact O-N 3.35Å; A152-Q154 VanDerWaalsContact C-N 3.34Å; A152-Q154 PolarHBondContact O-N 3.16Å; Q154-A157 PolarHBondContact O-N 3.4Å; Q154-Y158 PolarHBondContact O-N 2.89Å; Q154-Y158 VanDerWaalsContact O-N 3.14Å
155Q98.2Very high98.3Very high47 Ų4767.2 Ų67.222%0.2235%0.345CS..Hα-helixtrans-62.5-46176.2-65.9-56.1-37.900110.8R113 L125 W132 A151 A152 A157 Y158 L159R113-Q155 HydrophobicContact CG-CG 4.48Å; L125-Q155 HydrophobicContact CD2-CB 3.89Å; W132-Q155 HydrophobicContact CH2-CG 4.22Å; W132-Q155 HydrophobicContact CZ2-CG 4.48Å; A151-Q155 WeakPolarHBondContact O-CG 3.44Å; A151-Q155 PolarHBondContact O-N 3.23Å; A151-Q155 VanDerWaalsContact O-N 3.13Å; A152-Q155 PolarHBondContact O-N 3.07Å; Q155-A157 PolarHBondContact O-N 3.22Å; Q155-Y158 PolarHBondContact O-N 2.89Å; Q155-L159 HydrophobicContact CB-CD1 4.49Å; Q155-L159 WeakPolarHBondContact O-CB 3.32Å; Q155-L159 WeakPolarHBondContact O-CG 3.19Å; Q155-L159 PolarHBondContact O-N 3.13Å
156R98.6Very high98.3Very high72 Ų7265.2 Ų65.227%0.27233%0.334SS..Hα-helixtrans-57.9-46.8176.6-175.9172.7179.1-131.7-13.5112.3L129 A152 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.02Å; L129-R156 HydrophobicContact CB-CG 3.88Å; L129-R156 HydrophobicContact CD1-CB 4.49Å; L129-R156 HydrophobicContact CD1-CG 3.99Å; A152-R156 VanDerWaalsContact O-CB 3.26Å; A152-R156 WeakPolarHBondContact O-CB 3.43Å; A152-R156 PolarHBondContact O-N 3.37Å; R156-Y158 VanDerWaalsContact C-N 3.28Å; R156-Y158 PolarHBondContact O-N 3.01Å; R156-L159 PolarHBondContact O-N 3.27Å; R156-E160 HydrophobicContact CG-CG 4.14Å; R156-E160 IonicContact CZ-OE1 2.83Å; R156-E160 IonicContact CZ-OE2 3.47Å; R156-E160 VanDerWaalsContact NE-CD 3.32Å; R156-E160 IonicContact NE-OE1 3.94Å; R156-E160 PolarHBondContact NE-OE1 2.87Å; R156-E160 IonicContact NE-OE2 3.31Å; R156-E160 PolarHBondContact NE-OE2 2.87Å; R156-E160 IonicContact NH2-OE1 3.67Å; R156-E160 PolarHBondContact NH2-OE1 2.86Å; R156-E160 IonicContact NH2-OE2 2.68Å; R156-E160 PolarHBondContact NH2-OE2 3.19Å; R156-E160 VanDerWaalsContact NH2-OE2 3.17Å; R156-E160 WeakPolarHBondContact O-CB 3.46Å; R156-E160 PolarHBondContact O-N 2.71Å
157A98.6Very high98.4Very high68 Ų6862.2 Ų62.256%0.56232%0.323SS*.Hα-helixtrans-60.3-37.3178.200000112.6E153 Q154 Q155 G161E153-A157 WeakPolarHBondContact O-CB 3.27Å; E153-A157 PolarHBondContact O-N 3.35Å; Q154-A157 PolarHBondContact O-N 3.4Å; Q155-A157 PolarHBondContact O-N 3.22Å; A157-G161 PolarHBondContact O-N 3.18Å
158Y98.5Very high98.3Very high36 Ų3663.5 Ų63.514%0.14132%0.323CS..Iπ-helixtrans-69.3-48.3173.3171.3-98.3000112.2Y98 Q154 Q155 R156 G161 R162 C163Y98-Y158 AromaticContact CD2-CE1 3.77Å; Y98-Y158 HydrophobicContact CD2-CE1 3.77Å; Y98-Y158 AromaticContact CE2-CE1 3.64Å; Y98-Y158 HydrophobicContact CE2-CE1 3.64Å; Y98-Y158 AromaticContact CE2-CZ 3.91Å; Q154-Y158 PolarHBondContact O-N 2.89Å; Q154-Y158 VanDerWaalsContact O-N 3.14Å; Q155-Y158 PolarHBondContact O-N 2.89Å; R156-Y158 VanDerWaalsContact C-N 3.28Å; R156-Y158 PolarHBondContact O-N 3.01Å; Y158-G161 CarbonylContact O-C 3.52Å; Y158-G161 PolarHBondContact O-N 2.04Å; Y158-R162 HydrophobicContact CD2-CB 3.86Å; Y158-R162 HydrophobicContact CE2-CB 4.08Å; Y158-R162 PolarHBondContact O-N 2.71Å; Y158-R162 VanDerWaalsContact O-N 3.14Å; Y158-C163 HydrophobicContact CD1-CB 4.26Å; Y158-C163 HydrophobicContact CE1-CB 3.82Å; Y158-C163 WeakPolarHBondContact O-CB 3.17Å; Y158-C163 PolarHBondContact O-N 2.93Å
159L98.8Very high98.3Very high0 Ų065.3 Ų65.30%031%0.313CS..Iπ-helixtrans-68.2-42.4-173.1-69.8171.7000112.8G99 F108 L125 L129 Q155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.16Å; F108-L159 HydrophobicContact CE2-CB 4.43Å; L125-L159 HydrophobicContact CD2-CD1 3.96Å; L129-L159 HydrophobicContact CD1-CB 4.42Å; L129-L159 HydrophobicContact CD2-CD1 3.9Å; Q155-L159 HydrophobicContact CB-CD1 4.49Å; Q155-L159 WeakPolarHBondContact O-CB 3.32Å; Q155-L159 WeakPolarHBondContact O-CG 3.19Å; Q155-L159 PolarHBondContact O-N 3.13Å; R156-L159 PolarHBondContact O-N 3.27Å; L159-V164 WeakPolarHBondContact O-CG2 3.49Å
160E98.6Very high98.3Very high82 Ų8262.5 Ų62.538%0.38329%0.29SS..Iπ-helixtrans-79.1-22.6177.6-67.4-179.316800112.6F108 L129 R156F108-E160 HydrophobicContact CD1-CG 4.36Å; F108-E160 HydrophobicContact CE1-CG 4.25Å; F108-E160 HydrophobicContact CZ-CG 4.35Å; L129-E160 HydrophobicContact CD1-CG 4.03Å; R156-E160 HydrophobicContact CG-CG 4.14Å; R156-E160 IonicContact CZ-OE1 2.83Å; R156-E160 IonicContact CZ-OE2 3.47Å; R156-E160 VanDerWaalsContact NE-CD 3.32Å; R156-E160 IonicContact NE-OE1 3.94Å; R156-E160 PolarHBondContact NE-OE1 2.87Å; R156-E160 IonicContact NE-OE2 3.31Å; R156-E160 PolarHBondContact NE-OE2 2.87Å; R156-E160 IonicContact NH2-OE1 3.67Å; R156-E160 PolarHBondContact NH2-OE1 2.86Å; R156-E160 IonicContact NH2-OE2 2.68Å; R156-E160 PolarHBondContact NH2-OE2 3.19Å; R156-E160 VanDerWaalsContact NH2-OE2 3.17Å; R156-E160 WeakPolarHBondContact O-CB 3.46Å; R156-E160 PolarHBondContact O-N 2.71Å
161G98.4Very high98.4Very high20 Ų2057.9 Ų57.921%0.20627%0.268CS..Iπ-helixtrans-107.1-97.6-177.200000112.7A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 3.18Å; Y158-G161 CarbonylContact O-C 3.52Å; Y158-G161 PolarHBondContact O-N 2.04Å; G161-C163 VanDerWaalsContact C-N 3.27Å; G161-C163 PolarHBondContact O-N 3.23Å; G161-C163 VanDerWaalsContact O-N 3.14Å; G161-V164 PolarHBondContact O-N 3.19Å; G161-E165 WeakPolarHBondContact O-CG 3.17Å; G161-E165 PolarHBondContact O-N 2.72Å
162R98.1Very high98.4Very high144 Ų14463 Ų6354%0.54329%0.29SS..Iπ-helixtrans-53.1-40-170.8-70.7-166.9-66.9163.11.4113.6Y158 V164 E165 W166Y158-R162 HydrophobicContact CD2-CB 3.86Å; Y158-R162 HydrophobicContact CE2-CB 4.08Å; Y158-R162 PolarHBondContact O-N 2.71Å; Y158-R162 VanDerWaalsContact O-N 3.14Å; R162-V164 PolarHBondContact O-N 2.82Å; R162-E165 PolarHBondContact O-N 2.99Å; R162-W166 WeakPolarHBondContact O-CB 3.37Å; R162-W166 PolarHBondContact O-N 2.83Å
163C98.8Very high98.3Very high0 Ų065 Ų650%030%0.299CS..Hα-helixtrans-59.5-48.8178.9-174.10000111.3M4 C100 Y158 G161 L167M4-C163 HydrophobicContact CE-CB 4.14Å; M4-C163 WeakPolarHBondContact CE-O 3.32Å; M4-C163 WeakPolarHBondContact CE-SG 3.46Å; C100-C163 HydrophobicContact CB-CB 3.91Å; C100-C163 WeakPolarHBondContact CB-SG 3.41Å; C100-C163 PolarHBondContact N-SG 3.08Å; C100-C163 WeakPolarHBondContact SG-CB 3.43Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.22Å; Y158-C163 HydrophobicContact CD1-CB 4.26Å; Y158-C163 HydrophobicContact CE1-CB 3.82Å; Y158-C163 WeakPolarHBondContact O-CB 3.17Å; Y158-C163 PolarHBondContact O-N 2.93Å; G161-C163 VanDerWaalsContact C-N 3.27Å; G161-C163 PolarHBondContact O-N 3.23Å; G161-C163 VanDerWaalsContact O-N 3.14Å; C163-L167 WeakPolarHBondContact O-CB 3.47Å; C163-L167 PolarHBondContact O-N 2.85Å
164V98.7Very high98.3Very high6 Ų659.1 Ų59.14%0.03627%0.273CS..Hα-helixtrans-67.1-41.3179.7173.60000111.3C100 V102 F108 L159 G161 R162 L167 R168C100-V164 HydrophobicContact CB-CG2 4.34Å; V102-V164 HydrophobicContact CG1-CB 4.41Å; V102-V164 HydrophobicContact CG1-CG1 3.94Å; V102-V164 HydrophobicContact CG1-CG2 4Å; F108-V164 HydrophobicContact CB-CG2 4.07Å; F108-V164 HydrophobicContact CD2-CG2 3.73Å; F108-V164 HydrophobicContact CG-CG2 4.39Å; L159-V164 WeakPolarHBondContact O-CG2 3.49Å; G161-V164 PolarHBondContact O-N 3.19Å; R162-V164 PolarHBondContact O-N 2.82Å; V164-L167 PolarHBondContact O-N 3Å; V164-R168 VanDerWaalsContact O-CG 3.32Å; V164-R168 WeakPolarHBondContact O-CG 3.48Å; V164-R168 PolarHBondContact O-N 3.26Å
165E98.5Very high98.2Very high122 Ų12257.8 Ų57.857%0.5726%0.264SS*.Hα-helixtrans-60.1-48.2177.5-70.3170.2176.600111.8G161 R162 R168 R169G161-E165 WeakPolarHBondContact O-CG 3.17Å; G161-E165 PolarHBondContact O-N 2.72Å; R162-E165 PolarHBondContact O-N 2.99Å; E165-R168 PolarHBondContact O-N 3.24Å; E165-R169 PolarHBondContact O-N 3.49Å; E165-R169 VanDerWaalsContact O-N 3.11Å
166W98.6Very high97.9Very high76 Ų7664.1 Ų64.129%0.28829%0.294SS..Hα-helixtrans-67.6-42.9178-82.3110.2000112.4M4 Y58 R162 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.1Å; M4-W166 HydrophobicContact SD-CB 4.44Å; Y58-W166 AromaticContact CD2-CH2 3.51Å; Y58-W166 HydrophobicContact CD2-CH2 3.51Å; Y58-W166 HydrophobicContact CD2-CZ2 4Å; Y58-W166 AromaticContact CD2-CZ3 3.98Å; Y58-W166 HydrophobicContact CD2-CZ3 3.98Å; Y58-W166 HydrophobicContact CE2-CE3 4.45Å; Y58-W166 AromaticContact CE2-CH2 3.89Å; Y58-W166 HydrophobicContact CE2-CH2 3.89Å; Y58-W166 HydrophobicContact CE2-CZ2 4.29Å; Y58-W166 AromaticContact CE2-CZ3 3.97Å; Y58-W166 HydrophobicContact CE2-CZ3 3.97Å; R162-W166 WeakPolarHBondContact O-CB 3.37Å; R162-W166 PolarHBondContact O-N 2.83Å; W166-R168 VanDerWaalsContact C-N 3.31Å; W166-R168 PolarHBondContact O-N 3.08Å; W166-R169 WeakPolarHBondContact O-CB 3.48Å; W166-R169 PolarHBondContact O-N 3.12Å; W166-R169 VanDerWaalsContact O-N 3.13Å; W166-Y170 HydrophobicContact CB-CE2 4Å; W166-Y170 HydrophobicContact CD2-CE1 4.47Å; W166-Y170 HydrophobicContact CE3-CD1 4.32Å; W166-Y170 AromaticContact CE3-CE1 3.39Å; W166-Y170 HydrophobicContact CE3-CE1 3.39Å; W166-Y170 HydrophobicContact CE3-CE2 4.35Å; W166-Y170 AromaticContact CE3-CZ 3.4Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.4Å; W166-Y170 AromaticContact CZ3-CE1 3.79Å; W166-Y170 HydrophobicContact CZ3-CE1 3.79Å; W166-Y170 WeakPolarHBondContact O-CD2 3.29Å; W166-Y170 PolarHBondContact O-N 2.85Å
167L98.8Very high97.7Very high0 Ų063 Ų630%030%0.295CS..Hα-helixtrans-57.4-44.6175.8174.853000111.3H2 M4 V27 V102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.38Å; M4-L167 HydrophobicContact CB-CB 4.06Å; M4-L167 HydrophobicContact CB-CD1 4.02Å; M4-L167 HydrophobicContact CB-CD2 4.1Å; M4-L167 HydrophobicContact CB-CG 4.27Å; M4-L167 HydrophobicContact CE-CB 4.44Å; M4-L167 HydrophobicContact SD-CB 4.42Å; V27-L167 HydrophobicContact CB-CD1 4.5Å; V27-L167 HydrophobicContact CG1-CD1 3.59Å; V27-L167 HydrophobicContact CG2-CD1 4.2Å; V102-L167 HydrophobicContact CB-CD2 4.38Å; V102-L167 HydrophobicContact CG1-CD2 3.96Å; V102-L167 HydrophobicContact CG2-CD2 3.62Å; V102-L167 HydrophobicContact CG2-CG 4.23Å; C163-L167 WeakPolarHBondContact O-CB 3.47Å; C163-L167 PolarHBondContact O-N 2.85Å; V164-L167 PolarHBondContact O-N 3Å; L167-R169 PolarHBondContact O-N 3.47Å; L167-Y170 PolarHBondContact O-N 2.83Å; L167-L171 HydrophobicContact CD1-CD1 3.9Å; L167-L171 HydrophobicContact CD1-CD2 4.42Å; L167-L171 HydrophobicContact CD1-CG 3.9Å; L167-L171 HydrophobicContact CG-CD1 4.02Å; L167-L171 HydrophobicContact CG-CG 4.47Å; L167-L171 WeakPolarHBondContact O-CB 3.35Å; L167-L171 VanDerWaalsContact O-CG 3.25Å; L167-L171 WeakPolarHBondContact O-CG 3.26Å; L167-L171 PolarHBondContact O-N 3.48Å
168R98.3Very high97.5Very high118 Ų11859.9 Ų59.945%0.44527%0.269SS..Hα-helixtrans-61.5-43.2175.9-72.8174.8-176174.32.4112.4G106 V164 E165 W166 Y170 L171 E172G106-R168 PolarHBondContact O-NE 3.43Å; G106-R168 PolarHBondContact O-NH2 2.87Å; V164-R168 VanDerWaalsContact O-CG 3.32Å; V164-R168 WeakPolarHBondContact O-CG 3.48Å; V164-R168 PolarHBondContact O-N 3.26Å; E165-R168 PolarHBondContact O-N 3.24Å; W166-R168 VanDerWaalsContact C-N 3.31Å; W166-R168 PolarHBondContact O-N 3.08Å; R168-Y170 VanDerWaalsContact C-N 3.34Å; R168-L171 PolarHBondContact O-N 3.07Å; R168-E172 PolarHBondContact O-N 2.99Å; R168-E172 VanDerWaalsContact O-N 3.09Å
169R98.2Very high97.2Very high120 Ų12062.2 Ų62.245%0.45328%0.281SS..Hα-helixtrans-60.3-44.9175.8177.2177173101.7-7.1111.2E54 E165 W166 L167 E172 N173E54-R169 IonicContact OE1-CZ 2.77Å; E54-R169 IonicContact OE1-NE 3.34Å; E54-R169 PolarHBondContact OE1-NE 3.28Å; E54-R169 IonicContact OE1-NH2 3.54Å; E54-R169 PolarHBondContact OE1-NH2 3.23Å; E54-R169 VanDerWaalsContact OE1-NH2 3.16Å; E54-R169 IonicContact OE2-CZ 3.67Å; E54-R169 IonicContact OE2-NE 3.24Å; E54-R169 PolarHBondContact OE2-NE 3.14Å; E54-R169 IonicContact OE2-NH2 3.39Å; E54-R169 PolarHBondContact OE2-NH2 3.32Å; E165-R169 PolarHBondContact O-N 3.49Å; E165-R169 VanDerWaalsContact O-N 3.11Å; W166-R169 WeakPolarHBondContact O-CB 3.48Å; W166-R169 PolarHBondContact O-N 3.12Å; W166-R169 VanDerWaalsContact O-N 3.13Å; L167-R169 PolarHBondContact O-N 3.47Å; R169-E172 PolarHBondContact O-N 2.96Å; R169-N173 VanDerWaalsContact O-CB 3.25Å; R169-N173 WeakPolarHBondContact O-CB 3.09Å; R169-N173 PolarHBondContact O-N 2.9Å; R169-N173 PolarHBondContact O-OD1 2.73Å
170Y98.4Very high97Very high1 Ų166 Ų660%0.00430%0.296CS..Hα-helixtrans-65.6-40.2178.4-60.6-26.6000112.5M4 V27 F32 W50 I51 Y58 W166 L167 R168 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.72Å; M4-Y170 HydrophobicContact SD-CE2 3.54Å; M4-Y170 VanDerWaalsContact SD-CE2 3.54Å; V27-Y170 HydrophobicContact CG2-CD2 3.96Å; F32-Y170 HydrophobicContact CE2-CD2 4.35Å; F32-Y170 AromaticContact CE2-CE2 3.72Å; F32-Y170 HydrophobicContact CE2-CE2 3.72Å; F32-Y170 HydrophobicContact CZ-CD2 4.39Å; F32-Y170 AromaticContact CZ-CE2 3.86Å; F32-Y170 HydrophobicContact CZ-CE2 3.86Å; W50-Y170 HydrophobicContact CE3-CD1 4.29Å; W50-Y170 HydrophobicContact CE3-CG 4.45Å; W50-Y170 HydrophobicContact CH2-CD2 4.36Å; W50-Y170 HydrophobicContact CH2-CG 4.05Å; W50-Y170 AromaticContact CZ3-CD1 3.61Å; W50-Y170 HydrophobicContact CZ3-CD1 3.61Å; W50-Y170 HydrophobicContact CZ3-CD2 4.19Å; W50-Y170 HydrophobicContact CZ3-CE1 4.33Å; W50-Y170 AromaticContact CZ3-CG 3.54Å; W50-Y170 HydrophobicContact CZ3-CG 3.54Å; I51-Y170 HydrophobicContact CD1-CD1 3.88Å; I51-Y170 HydrophobicContact CD1-CE1 3.28Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.25Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.34Å; Y58-Y170 PolarHBondContact OH-OH 2.89Å; W166-Y170 HydrophobicContact CB-CE2 4Å; W166-Y170 HydrophobicContact CD2-CE1 4.47Å; W166-Y170 HydrophobicContact CE3-CD1 4.32Å; W166-Y170 AromaticContact CE3-CE1 3.39Å; W166-Y170 HydrophobicContact CE3-CE1 3.39Å; W166-Y170 HydrophobicContact CE3-CE2 4.35Å; W166-Y170 AromaticContact CE3-CZ 3.4Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.4Å; W166-Y170 AromaticContact CZ3-CE1 3.79Å; W166-Y170 HydrophobicContact CZ3-CE1 3.79Å; W166-Y170 WeakPolarHBondContact O-CD2 3.29Å; W166-Y170 PolarHBondContact O-N 2.85Å; L167-Y170 PolarHBondContact O-N 2.83Å; R168-Y170 VanDerWaalsContact C-N 3.34Å; Y170-E172 VanDerWaalsContact C-N 3.29Å; Y170-E172 PolarHBondContact O-N 2.9Å; Y170-N173 PolarHBondContact O-N 3.44Å; Y170-G174 WeakPolarHBondContact O-CA 3.31Å; Y170-G174 PolarHBondContact O-N 3.24Å; Y170-L178 WeakPolarHBondContact O-CD1 3.48Å
171L98.1Very high96.8Very high13 Ų1364.7 Ų64.77%0.06829%0.293CS..Hα-helixtrans-63.3-34175.7-71.3169.3000112.9H2 V27 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.71Å; H2-L171 HydrophobicContact CB-CD2 3.97Å; H2-L171 HydrophobicContact CB-CG 4.41Å; H2-L171 VanDerWaalsContact CG-CD2 3.46Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.33Å; V27-L171 HydrophobicContact CG1-CD2 4.09Å; L167-L171 HydrophobicContact CD1-CD1 3.9Å; L167-L171 HydrophobicContact CD1-CD2 4.42Å; L167-L171 HydrophobicContact CD1-CG 3.9Å; L167-L171 HydrophobicContact CG-CD1 4.02Å; L167-L171 HydrophobicContact CG-CG 4.47Å; L167-L171 WeakPolarHBondContact O-CB 3.35Å; L167-L171 VanDerWaalsContact O-CG 3.25Å; L167-L171 WeakPolarHBondContact O-CG 3.26Å; L167-L171 PolarHBondContact O-N 3.48Å; R168-L171 PolarHBondContact O-N 3.07Å; L171-K175 VanDerWaalsContact O-CA 3.25Å; L171-K175 WeakPolarHBondContact O-CA 3.29Å; L171-K175 WeakPolarHBondContact O-CB 3.47Å; L171-K175 PolarHBondContact O-N 2.67Å; L171-L178 HydrophobicContact CD2-CB 4.09Å; L171-L178 HydrophobicContact CD2-CD1 4.39Å; L171-Q179 PolarHBondContact O-NE2 2.97Å
172E97.8Very high96.8Very high125 Ų12566 Ų6658%0.58430%0.296SS*.Hα-helixtrans-73.7-49.9174-172.959.6-152.500110.9R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 2.99Å; R168-E172 VanDerWaalsContact O-N 3.09Å; R169-E172 PolarHBondContact O-N 2.96Å; Y170-E172 VanDerWaalsContact C-N 3.29Å; Y170-E172 PolarHBondContact O-N 2.9Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 3Å; E172-K175 WeakPolarHBondContact O-CB 3.45Å; E172-K175 PolarHBondContact O-N 2.89Å
173N97.7Very high96.8Very high51 Ų5162.1 Ų62.127%0.27329%0.289SS..Hα-helixtrans-59.5-39.4179.7-77.71.2000113.1Q53 E54 R169 Y170Q53-N173 PolarHBondContact NE2-ND2 2.98Å; E54-N173 PolarHBondContact OE1-ND2 3.05Å; R169-N173 VanDerWaalsContact O-CB 3.25Å; R169-N173 WeakPolarHBondContact O-CB 3.09Å; R169-N173 PolarHBondContact O-N 2.9Å; R169-N173 PolarHBondContact O-OD1 2.73Å; Y170-N173 PolarHBondContact O-N 3.44Å
174G97.1Very high96.8Very high3 Ų362.6 Ų62.63%0.03129%0.292CS..THydrogen-bonded Turntrans-104.417.3-176.100000113.8Y170 E172 E176 T177 L178Y170-G174 WeakPolarHBondContact O-CA 3.31Å; Y170-G174 PolarHBondContact O-N 3.24Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 3Å; G174-E176 VanDerWaalsContact C-N 3.26Å; G174-E176 PolarHBondContact O-N 2.74Å; G174-E176 VanDerWaalsContact O-N 3.1Å; G174-T177 PolarHBondContact O-N 3.13Å; G174-T177 PolarHBondContact O-OG1 3Å; G174-L178 PolarHBondContact O-N 2.68Å
175K95.6Very high96.7Very high109 Ų10969.8 Ų69.847%0.47432%0.323SS..Hα-helixtrans-48.2-42.4-170.8-178.9172.1-175176.60114.4L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.25Å; L171-K175 WeakPolarHBondContact O-CA 3.29Å; L171-K175 WeakPolarHBondContact O-CB 3.47Å; L171-K175 PolarHBondContact O-N 2.67Å; E172-K175 WeakPolarHBondContact O-CB 3.45Å; E172-K175 PolarHBondContact O-N 2.89Å; K175-T177 PolarHBondContact O-N 3.24Å; K175-Q179 HydrophobicContact CG-CB 4.46Å; K175-Q179 HydrophobicContact CG-CG 4.4Å; K175-Q179 WeakPolarHBondContact O-CB 3.2Å; K175-Q179 PolarHBondContact O-N 3.29Å
176E92.6Very high96.7Very high181 Ų18165.6 Ų65.685%0.84631%0.306SS*.Hα-helixtrans-62.8-25179.6-62.6-175.1165.700113.6G174G174-E176 VanDerWaalsContact C-N 3.26Å; G174-E176 PolarHBondContact O-N 2.74Å; G174-E176 VanDerWaalsContact O-N 3.1Å
177T92.8Very high96.6Very high47 Ų4765.8 Ų65.829%0.28831%0.31SS..Hα-helixtrans-108.7-40.6-177.356.10000113.4G174 K175 R180G174-T177 PolarHBondContact O-N 3.13Å; G174-T177 PolarHBondContact O-OG1 3Å; K175-T177 PolarHBondContact O-N 3.24Å; T177-R180 VanDerWaalsContact O-CG 3.27Å; T177-R180 WeakPolarHBondContact O-CG 3.36Å
178L94.4Very high96.6Very high3 Ų367.4 Ų67.42%0.01632%0.318CS..Hα-helixtrans-85.1-27.6-173.7-63.4173.8000112.8V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.27Å; V27-L178 HydrophobicContact CB-CD2 4.04Å; V27-L178 HydrophobicContact CG1-CD1 3.92Å; V27-L178 HydrophobicContact CG1-CD2 4.02Å; V27-L178 HydrophobicContact CG1-CG 4.47Å; T30-L178 HydrophobicContact CG2-CD2 4Å; W50-L178 HydrophobicContact CD2-CD1 4.39Å; W50-L178 HydrophobicContact CH2-CD1 4.35Å; W50-L178 HydrophobicContact CZ2-CD1 3.8Å; W50-L178 HydrophobicContact CZ2-CD2 4.1Å; W50-L178 HydrophobicContact CZ2-CG 4.37Å; Y170-L178 WeakPolarHBondContact O-CD1 3.48Å; L171-L178 HydrophobicContact CD2-CB 4.09Å; L171-L178 HydrophobicContact CD2-CD1 4.39Å; G174-L178 PolarHBondContact O-N 2.68Å
179Q93Very high96.5Very high86 Ų8663.5 Ų63.540%0.40231%0.307SS..SBendtrans-101.712.7176.4-55.7-179.229.200111.9L171 K175L171-Q179 PolarHBondContact O-NE2 2.97Å; K175-Q179 HydrophobicContact CG-CB 4.46Å; K175-Q179 HydrophobicContact CG-CG 4.4Å; K175-Q179 WeakPolarHBondContact O-CB 3.2Å; K175-Q179 PolarHBondContact O-N 3.29Å
180R93.7Very high96.5Very high80 Ų8060.1 Ų60.130%0.30230%0.296SS..  trans-79.1152.517287.5-173.4170-175.53.2109.7T177 D182 Y208T177-R180 VanDerWaalsContact O-CG 3.27Å; T177-R180 WeakPolarHBondContact O-CG 3.36Å; R180-D182 WeakPolarHBondContact CD-OD2 3.31Å; R180-D182 IonicContact CZ-OD2 3.5Å; R180-D182 IonicContact NE-OD2 2.73Å; R180-D182 PolarHBondContact NE-OD2 3.28Å; R180-Y208 HydrophobicContact CG-CD1 3.99Å; R180-Y208 HydrophobicContact CG-CE1 4.45Å; R180-Y208 WeakPolarHBondContact O-CD1 3.48Å
181T95.4Very high96.4Very high54 Ų5464 Ų6433%0.33131%0.314SS..  trans-135112169.6-38.20000107.9P183 Y208 E263T181-P183 WeakPolarHBondContact O-CD 3.39Å; T181-Y208 WeakPolarHBondContact CA-O 3.35Å; T181-Y208 WeakPolarHBondContact CG2-O 3.49Å; T181-E263 HydrophobicContact CG2-CB 4.14Å; T181-E263 HydrophobicContact CG2-CG 4.31Å
182D97.5Very high96.2Very high48 Ų4868 Ų6826%0.25734%0.341SS..BIsolated β-bridgetrans-96.9112.4-178.8-63.6-40.6000107.8R180 F207 Y208 H262R180-D182 WeakPolarHBondContact CD-OD2 3.31Å; R180-D182 IonicContact CZ-OD2 3.5Å; R180-D182 IonicContact NE-OD2 2.73Å; R180-D182 PolarHBondContact NE-OD2 3.28Å; D182-F207 WeakPolarHBondContact O-CA 3.47Å; D182-F207 WeakPolarHBondContact O-CB 3.2Å; D182-Y208 PolarHBondContact N-O 3.46Å; D182-Y208 PolarHBondContact O-N 3.27Å; D182-Y208 VanDerWaalsContact O-N 3.08Å; D182-H262 PolarHBondContact O-CE1 3.35Å
183P98.3Very high96.1Very high62 Ų6266.6 Ų66.640%0.40334%0.336SS..  trans-68.6147.7-179.826.4-33000111.5T181 K185 L265T181-P183 WeakPolarHBondContact O-CD 3.39Å; P183-K185 PolarHBondContact O-N 3.41Å; P183-L265 HydrophobicContact CB-CD2 3.9Å; P183-L265 HydrophobicContact CB-CG 4.44Å
184P98.5Very high95.9Very high9 Ų966.7 Ų66.76%0.05834%0.341CS..  trans-64.3132.4178.527.2-35.2000111.5T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.09Å; P184-T186 HydrophobicContact CG-CG2 4.25Å; P184-T186 PolarHBondContact O-N 3.43Å; P184-A204 HydrophobicContact CB-CB 3.81Å; P184-F207 HydrophobicContact CB-CB 3.89Å; P184-F207 HydrophobicContact CB-CD1 3.98Å; P184-F207 HydrophobicContact CB-CG 4.21Å; P184-I212 HydrophobicContact CB-CD1 3.96Å; P184-I212 HydrophobicContact CG-CD1 4.02Å; P184-V260 HydrophobicContact CG-CG1 3.9Å; P184-H262 HydrophobicContact CG-CB 4.04Å; P184-L265 HydrophobicContact CG-CD1 3.9Å; P184-L265 HydrophobicContact CG-CD2 4.48Å; P184-L265 HydrophobicContact CG-CG 4.25Å
185K98.5Very high95.7Very high157 Ų15773.8 Ų73.868%0.68338%0.378SS*.EExtended strand (participates in β ladder)trans-78.7108.3163.4-65.3173.2-173.6168.40107.6P183 L205P183-K185 PolarHBondContact O-N 3.41Å; K185-L205 PolarHBondContact N-O 3.38Å; K185-L205 PolarHBondContact O-N 3.13Å
186T98.3Very high95.7Very high35 Ų3575.4 Ų75.422%0.21539%0.387CS..EExtended strand (participates in β ladder)trans-103.1138.7-174.958.90000112.2P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.09Å; P184-T186 HydrophobicContact CG-CG2 4.25Å; P184-T186 PolarHBondContact O-N 3.43Å; T186-W203 WeakPolarHBondContact CA-O 3.37Å; T186-A204 HydrophobicContact CG2-CB 4.48Å; T186-V260 HydrophobicContact CG2-CB 4.34Å; T186-V260 HydrophobicContact CG2-CG1 4.09Å; T186-V260 HydrophobicContact CG2-CG2 3.99Å; T186-L269 HydrophobicContact CG2-CD1 4.16Å; T186-L271 HydrophobicContact CG2-CD1 4.14Å
187H96.8Very high95.9Very high80 Ų8071.1 Ų71.137%0.3737%0.367SS..EExtended strand (participates in β ladder)trans-150.6163.9170.168.5-76.9000110.3W203H187-W203 WeakPolarHBondContact CE1-CB 3.34Å; H187-W203 AromaticContact CE1-CD1 3.81Å; H187-W203 AromaticContact CE1-CG 3.53Å; H187-W203 PolarHBondContact N-O 3.36Å; H187-W203 AromaticContact NE2-CD1 3.45Å; H187-W203 AromaticContact NE2-CG 3.66Å; H187-W203 PolarHBondContact O-N 2.94Å
188M96.9Very high96.1Very high34 Ų3469 Ų6917%0.16735%0.354CS..EExtended strand (participates in β ladder)trans-114.8147.2176.9-76.4-178.247.400111.1L200 R201 W216 L271 W273M188-L200 HydrophobicContact CE-CD1 4.45Å; M188-L200 HydrophobicContact CE-CD2 4.43Å; M188-R201 WeakPolarHBondContact CA-O 3.25Å; M188-W216 HydrophobicContact CE-CH2 3.5Å; M188-W216 HydrophobicContact CE-CZ2 4.4Å; M188-W216 HydrophobicContact CE-CZ3 4.3Å; M188-W216 HydrophobicContact SD-CH2 4.03Å; M188-L271 HydrophobicContact CG-CB 4.36Å; M188-L271 HydrophobicContact SD-CB 3.76Å; M188-W273 VanDerWaalsContact CE-CA 3.49Å; M188-W273 HydrophobicContact CE-CB 3.54Å
189T97.3Very high96.3Very high35 Ų3569.8 Ų69.822%0.21536%0.359CS..EExtended strand (participates in β ladder)trans-129.5141.6174.8500000109.2H191 R201 W203T189-H191 VanDerWaalsContact CB-CE1 3.44Å; T189-H191 WeakPolarHBondContact CB-CE1 3.4Å; T189-H191 PolarHBondContact OG1-CE1 3.43Å; T189-R201 PolarHBondContact N-O 3.49Å; T189-R201 PolarHBondContact O-N 3.46Å; T189-R201 WeakPolarHBondContact OG1-CB 3.33Å; T189-R201 PolarHBondContact OG1-O 3.01Å; T189-W203 PolarHBondContact OG1-NE1 2.86Å
190H97.3Very high96.5Very high50 Ų5065.7 Ų65.723%0.23134%0.34CS..EExtended strand (participates in β ladder)trans-120.7125.4-177.9168.8-88.7000109A198 T199 L200 E253 W273H190-A198 WeakPolarHBondContact NE2-CB 3.45Å; H190-T199 WeakPolarHBondContact CA-O 3.03Å; H190-L200 HydrophobicContact CB-CD2 4.07Å; H190-E253 IonicContact NE2-OE1 3.2Å; H190-W273 HydrophobicContact CB-CD2 4.13Å; H190-W273 HydrophobicContact CB-CG 4.28Å; H190-W273 HydrophobicContact CB-CZ2 3.98Å; H190-W273 AromaticContact CG-CE2 3.7Å; H190-W273 AromaticContact CG-CZ2 3.69Å; H190-W273 AromaticContact ND1-CZ2 3.8Å
191H96.3Very high96.8Very high81 Ų8164.3 Ų64.338%0.37534%0.335SS..EExtended strand (participates in β ladder)trans-128.1106.6-177.4-56.284.3000109.4T189 I193 A198 T199 R201T189-H191 VanDerWaalsContact CB-CE1 3.44Å; T189-H191 WeakPolarHBondContact CB-CE1 3.4Å; T189-H191 PolarHBondContact OG1-CE1 3.43Å; H191-I193 PolarHBondContact O-N 3.14Å; H191-A198 CarbonylContact O-C 3.58Å; H191-A198 VanDerWaalsContact O-CA 3.31Å; H191-A198 WeakPolarHBondContact O-CA 3.06Å; H191-T199 PolarHBondContact N-O 3.11Å; H191-T199 PolarHBondContact O-N 3.03Å; H191-R201 PolarHBondContact CE1-NH1 3.14Å
192P95.5Very high96.9Very high97 Ų9761.8 Ų61.863%0.6332%0.319SS*.EExtended strand (participates in β ladder)trans-57.9130.5172.4-21.431.9000110.7
193I94.6Very high97Very high96 Ų9661.6 Ų61.649%0.49232%0.315SS..  trans-99.6-42.4173.5-60.5162000109.5H191 E197 T199 V247H191-I193 PolarHBondContact O-N 3.14Å; I193-E197 PolarHBondContact N-O 3.14Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.5Å; I193-V247 HydrophobicContact CD1-CG1 3.98Å; I193-V247 HydrophobicContact CD1-CG2 4.01Å
194S94.6Very high97Very high53 Ų5358.7 Ų58.737%0.37130%0.296SS..SBendtrans-148.8-178.1178.571.80000110.5H196 E197S194-H196 PolarHBondContact O-N 2.87Å; S194-H196 VanDerWaalsContact O-N 3.14Å; S194-H196 PolarHBondContact OG-N 2.95Å; S194-H196 VanDerWaalsContact OG-N 3.17Å; S194-E197 PolarHBondContact N-O 3Å; S194-E197 VanDerWaalsContact N-O 3.11Å; S194-E197 PolarHBondContact OG-N 3.43Å
195D92.4Very high97Very high152 Ų15260.9 Ų60.981%0.81331%0.307SS*.SBendtrans-65.5-9.3172.4-65-20.8000113.4
196H94.9Very high97Very high144 Ų14454.5 Ų54.567%0.66729%0.286SS*.SBendtrans-116.9-16.1-175.3-56.1-43.9000113.6S194 P249 S250S194-H196 PolarHBondContact O-N 2.87Å; S194-H196 VanDerWaalsContact O-N 3.14Å; S194-H196 PolarHBondContact OG-N 2.95Å; S194-H196 VanDerWaalsContact OG-N 3.17Å; H196-P249 CarbonylContact O-C 3.56Å; H196-P249 VanDerWaalsContact O-CA 3.31Å; H196-P249 WeakPolarHBondContact O-CA 3.09Å; H196-S250 VanDerWaalsContact C-OG 3.24Å; H196-S250 PolarHBondContact O-N 3.19Å
197E96.4Very high97Very high91 Ų9152.9 Ų52.943%0.42528%0.276SS..EExtended strand (participates in β ladder)trans-144.7146.5-170.2-67.1-178.8158.600112.6I193 S194 V247 V248 S250I193-E197 PolarHBondContact N-O 3.14Å; S194-E197 PolarHBondContact N-O 3Å; S194-E197 VanDerWaalsContact N-O 3.11Å; S194-E197 PolarHBondContact OG-N 3.43Å; E197-V247 HydrophobicContact CB-CG1 4.02Å; E197-V247 HydrophobicContact CG-CG1 4.23Å; E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.45Å; E197-S250 PolarHBondContact N-OG 3.5Å
198A97.3Very high97Very high1 Ų149.2 Ų49.21%0.00826%0.259CS..EExtended strand (participates in β ladder)trans-137.1154.1171.600000111.2H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.45Å; H191-A198 CarbonylContact O-C 3.58Å; H191-A198 VanDerWaalsContact O-CA 3.31Å; H191-A198 WeakPolarHBondContact O-CA 3.06Å; A198-V247 WeakPolarHBondContact O-CA 3.39Å; A198-V248 PolarHBondContact N-O 3.13Å; A198-V248 PolarHBondContact O-N 3.4Å
199T98.2Very high97.1Very high21 Ų2148.7 Ų48.713%0.12926%0.258CS..EExtended strand (participates in β ladder)trans-90.4122.4168.5-53.60000109.9H190 H191 I193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.03Å; H191-T199 PolarHBondContact N-O 3.11Å; H191-T199 PolarHBondContact O-N 3.03Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.5Å; T199-A245 HydrophobicContact CG2-CB 3.84Å; T199-V246 WeakPolarHBondContact CA-O 3.1Å
200L98.4Very high97.1Very high0 Ų047.8 Ų47.80%025%0.254CS..EExtended strand (participates in β ladder)trans-93.3123.5162.2-63.9-177.9000108.9M188 H190 W216 A245 V246 V248 E253 W273M188-L200 HydrophobicContact CE-CD1 4.45Å; M188-L200 HydrophobicContact CE-CD2 4.43Å; H190-L200 HydrophobicContact CB-CD2 4.07Å; L200-W216 HydrophobicContact CB-CH2 3.65Å; L200-W216 HydrophobicContact CB-CZ2 3.82Å; L200-W216 HydrophobicContact CB-CZ3 4.48Å; L200-W216 HydrophobicContact CD1-CH2 4.06Å; L200-W216 HydrophobicContact CD1-CZ3 4.26Å; L200-W216 HydrophobicContact CG-CH2 4.5Å; L200-A245 CarbonylContact O-C 3.6Å; L200-A245 WeakPolarHBondContact O-CA 3.31Å; L200-V246 HydrophobicContact CB-CG2 4.2Å; L200-V246 PolarHBondContact N-O 3.4Å; L200-V246 PolarHBondContact O-N 2.85Å; L200-V248 HydrophobicContact CD1-CG1 3.96Å; L200-V248 HydrophobicContact CD1-CG2 3.98Å; L200-V248 HydrophobicContact CG-CG1 4.18Å; L200-V248 HydrophobicContact CG-CG2 3.82Å; L200-E253 HydrophobicContact CD1-CB 4.14Å; L200-E253 HydrophobicContact CD1-CG 4.49Å; L200-E253 HydrophobicContact CD2-CG 4.34Å; L200-W273 HydrophobicContact CD2-CB 4.01Å; L200-W273 HydrophobicContact CD2-CD2 4.47Å; L200-W273 HydrophobicContact CD2-CG 4.1Å
201R98.6Very high97.2Very high51 Ų5152.3 Ų52.319%0.19228%0.275CS..EExtended strand (participates in β ladder)trans-120.2120.4176.4-176179.7-64.2113.52.3110.5M188 T189 H191 W203 W243 A244 A245M188-R201 WeakPolarHBondContact CA-O 3.25Å; T189-R201 PolarHBondContact N-O 3.49Å; T189-R201 PolarHBondContact O-N 3.46Å; T189-R201 WeakPolarHBondContact OG1-CB 3.33Å; T189-R201 PolarHBondContact OG1-O 3.01Å; H191-R201 PolarHBondContact CE1-NH1 3.14Å; R201-W203 VanDerWaalsContact CD-CE2 3.42Å; R201-W203 VanDerWaalsContact CD-CZ2 3.44Å; R201-W203 HydrophobicContact CG-CZ2 4.48Å; R201-W243 HydrophobicContact CG-CB 3.99Å; R201-W243 HydrophobicContact CG-CD2 4.14Å; R201-W243 HydrophobicContact CG-CE3 3.92Å; R201-W243 HydrophobicContact CG-CG 4.22Å; R201-A244 WeakPolarHBondContact CA-O 3.37Å; R201-A245 HydrophobicContact CB-CB 4.06Å; R201-A245 HydrophobicContact CG-CB 4.14Å
202C98.5Very high97.3Very high0 Ų049 Ų490%026%0.26CS..EExtended strand (participates in β ladder)trans-93.9122.5174.7-174.60000109.7W216 W243 A244 C258C202-W216 HydrophobicContact CB-CZ2 3.71Å; C202-W243 CarbonylContact O-C 3.5Å; C202-W243 WeakPolarHBondContact O-CA 3.5Å; C202-W243 VanDerWaalsContact O-CB 3.26Å; C202-W243 WeakPolarHBondContact O-CB 3.41Å; C202-A244 PolarHBondContact N-O 3.48Å; C202-A244 PolarHBondContact O-N 2.76Å; C202-C258 HydrophobicContact CB-CB 3.48Å; C202-C258 VanDerWaalsContact CB-CB 3.48Å; C202-C258 WeakPolarHBondContact CB-SG 3.33Å; C202-C258 WeakPolarHBondContact SG-CB 3.41Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 2.73Å
203W98.6Very high97.4Very high45 Ų4547.1 Ų47.117%0.1725%0.247CC..EExtended strand (participates in β ladder)trans-106.1142.7-179.5-71.290.8000110.8T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.37Å; H187-W203 WeakPolarHBondContact CE1-CB 3.34Å; H187-W203 AromaticContact CE1-CD1 3.81Å; H187-W203 AromaticContact CE1-CG 3.53Å; H187-W203 PolarHBondContact N-O 3.36Å; H187-W203 AromaticContact NE2-CD1 3.45Å; H187-W203 AromaticContact NE2-CG 3.66Å; H187-W203 PolarHBondContact O-N 2.94Å; T189-W203 PolarHBondContact OG1-NE1 2.86Å; R201-W203 VanDerWaalsContact CD-CE2 3.42Å; R201-W203 VanDerWaalsContact CD-CZ2 3.44Å; R201-W203 HydrophobicContact CG-CZ2 4.48Å; W203-L205 HydrophobicContact CE3-CD2 3.87Å; W203-L205 HydrophobicContact CZ3-CD2 4.39Å; W203-W243 HydrophobicContact CD2-CB 3.88Å; W203-W243 HydrophobicContact CD2-CG 4.41Å; W203-W243 HydrophobicContact CE3-CB 3.84Å; W203-W243 AromaticContact CE3-CD1 3.88Å; W203-W243 HydrophobicContact CE3-CG 4.19Å; W203-W243 HydrophobicContact CG-CB 4.32Å; W203-W243 AromaticContact CH2-CD1 3.5Å; W203-W243 VanDerWaalsContact CH2-CD1 3.5Å; W203-W243 HydrophobicContact CH2-CG 4.17Å; W203-W243 AromaticContact CH2-NE1 3.97Å; W203-W243 HydrophobicContact CZ2-CG 4.39Å; W203-W243 HydrophobicContact CZ3-CB 4.24Å; W203-W243 AromaticContact CZ3-CD1 3.37Å; W203-W243 HydrophobicContact CZ3-CG 4.08Å
204A98.8Very high97.6Very high0 Ų042.8 Ų42.80%023%0.225CC..EExtended strand (participates in β ladder)trans-125.4123163.100000108P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.81Å; T186-A204 HydrophobicContact CG2-CB 4.48Å; A204-F207 HydrophobicContact CB-CD1 4.08Å; A204-F207 HydrophobicContact CB-CE1 3.87Å; A204-F207 WeakPolarHBondContact O-CE1 3.36Å; A204-I212 HydrophobicContact CB-CD1 3.6Å; A204-L214 HydrophobicContact CB-CD1 3.98Å; A204-L214 HydrophobicContact CB-CD2 4.14Å; A204-Q241 VanDerWaalsContact O-CA 3.31Å; A204-Q241 WeakPolarHBondContact O-CA 3.25Å; A204-K242 PolarHBondContact N-O 3.5Å; A204-K242 PolarHBondContact O-N 3.12Å; A204-K242 VanDerWaalsContact O-O 3.1Å
205L98.6Very high97.8Very high56 Ų5642.3 Ų42.329%0.29322%0.219SC..EExtended strand (participates in β ladder)trans-129.7149.6-175.4-59.7179000111.2K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 3.38Å; K185-L205 PolarHBondContact O-N 3.13Å; W203-L205 HydrophobicContact CE3-CD2 3.87Å; W203-L205 HydrophobicContact CZ3-CD2 4.39Å; L205-F207 VanDerWaalsContact C-N 3.33Å; L205-F207 PolarHBondContact O-N 2.9Å; L205-Q241 HydrophobicContact CD2-CB 3.54Å
206G98.2Very high98Very high23 Ų2335.1 Ų35.124%0.23718%0.181CC..EExtended strand (participates in β ladder)trans68.430.7167.900000113.8T239 F240G206-T239 WeakPolarHBondContact CA-OG1 3.4Å; G206-F240 PolarHBondContact N-O 2.76Å
207F98.5Very high98.2Very high0 Ų030.3 Ų30.30%016%0.159CC..EExtended strand (participates in β ladder)trans-100.8153.6-179.460-89.5000112.6D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 WeakPolarHBondContact O-CA 3.47Å; D182-F207 WeakPolarHBondContact O-CB 3.2Å; P184-F207 HydrophobicContact CB-CB 3.89Å; P184-F207 HydrophobicContact CB-CD1 3.98Å; P184-F207 HydrophobicContact CB-CG 4.21Å; A204-F207 HydrophobicContact CB-CD1 4.08Å; A204-F207 HydrophobicContact CB-CE1 3.87Å; A204-F207 WeakPolarHBondContact O-CE1 3.36Å; L205-F207 VanDerWaalsContact C-N 3.33Å; L205-F207 PolarHBondContact O-N 2.9Å; F207-P209 WeakPolarHBondContact CD2-O 3.15Å; F207-I212 HydrophobicContact CD1-CD1 3.86Å; F207-I212 HydrophobicContact CD2-CB 4.23Å; F207-I212 HydrophobicContact CD2-CD1 3.99Å; F207-I212 HydrophobicContact CD2-CG2 4.5Å; F207-I212 HydrophobicContact CE1-CD1 3.79Å; F207-I212 HydrophobicContact CE1-CG2 4.42Å; F207-I212 HydrophobicContact CE2-CB 3.75Å; F207-I212 HydrophobicContact CE2-CD1 3.96Å; F207-I212 HydrophobicContact CE2-CG1 4.44Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 3.97Å; F207-I212 HydrophobicContact CZ-CB 4.13Å; F207-I212 HydrophobicContact CZ-CD1 3.87Å; F207-I212 HydrophobicContact CZ-CG2 3.54Å; F207-T232 HydrophobicContact CE2-CG2 4.05Å; F207-T232 HydrophobicContact CZ-CG2 3.88Å; F207-T239 CarbonylContact O-C 3.52Å; F207-T239 WeakPolarHBondContact O-CA 3.47Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.39Å; F207-F240 HydrophobicContact CD2-CB 3.9Å; F207-F240 HydrophobicContact CE1-CB 4.22Å; F207-F240 WeakPolarHBondContact CE1-O 3.46Å; F207-F240 HydrophobicContact CE2-CB 3.44Å; F207-F240 VanDerWaalsContact CE2-CB 3.44Å; F207-F240 HydrophobicContact CE2-CG 4.43Å; F207-F240 HydrophobicContact CG-CB 4.42Å; F207-F240 HydrophobicContact CZ-CB 3.61Å; F207-F240 PolarHBondContact N-O 3.34Å; F207-F240 PolarHBondContact O-N 2.97Å; F207-K242 HydrophobicContact CE1-CB 4.33Å; F207-K242 HydrophobicContact CZ-CB 4.11Å; F207-H262 AromaticContact CD2-CD2 3.86Å; F207-H262 AromaticContact CD2-NE2 3.79Å
208Y98.1Very high98.3Very high4 Ų429.4 Ų29.42%0.01615%0.152CC..BIsolated β-bridgetrans-150.9135.3173.1179.8-85.6000108.8D29 T30 R180 T181 D182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 3.85Å; T30-Y208 PolarHBondContact OG1-OH 3.09Å; R180-Y208 HydrophobicContact CG-CD1 3.99Å; R180-Y208 HydrophobicContact CG-CE1 4.45Å; R180-Y208 WeakPolarHBondContact O-CD1 3.48Å; T181-Y208 WeakPolarHBondContact CA-O 3.35Å; T181-Y208 WeakPolarHBondContact CG2-O 3.49Å; D182-Y208 PolarHBondContact N-O 3.46Å; D182-Y208 PolarHBondContact O-N 3.27Å; D182-Y208 VanDerWaalsContact O-N 3.08Å; Y208-G238 VanDerWaalsContact CD2-O 3.3Å; Y208-G238 WeakPolarHBondContact CD2-O 3.44Å; Y208-F240 HydrophobicContact CD2-CD2 4.46Å; Y208-F240 AromaticContact CD2-CE2 3.99Å; Y208-F240 HydrophobicContact CD2-CE2 3.99Å; Y208-F240 HydrophobicContact CE2-CE2 4.44Å; Y208-H262 PolarHBondContact O-CE1 3.09Å
209P97.6Very high98.3Very high22 Ų2234.2 Ų34.214%0.14318%0.177CC..SBendcis-71.8-177.92.730.9-36.6000114D29 F207 E211 H262D29-P209 WeakPolarHBondContact OD2-CB 3.3Å; F207-P209 WeakPolarHBondContact CD2-O 3.15Å; P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 3.36Å; P209-H262 PolarHBondContact O-NE2 2.94Å
210A97.9Very high98.1Very high17 Ų1735.5 Ų35.514%0.1420%0.195CC..SBendtrans-70.5-23-176.200000114D29 I212 T232 F240D29-A210 WeakPolarHBondContact OD2-CB 3.42Å; D29-A210 PolarHBondContact OD2-N 2.88Å; A210-I212 PolarHBondContact O-N 3.32Å; A210-T232 HydrophobicContact CB-CG2 4.33Å; A210-F240 HydrophobicContact CB-CD1 3.77Å; A210-F240 HydrophobicContact CB-CD2 3.73Å; A210-F240 HydrophobicContact CB-CE1 3.7Å; A210-F240 HydrophobicContact CB-CE2 3.67Å; A210-F240 HydrophobicContact CB-CG 3.8Å; A210-F240 HydrophobicContact CB-CZ 3.67Å
211E98.1Very high98Very high145 Ų14542.4 Ų42.468%0.67823%0.227SC*.  trans-67.1117.2-178.3-173.157.4-142.600110.7P209 H262P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 3.36Å; E211-H262 PolarHBondContact O-CD2 3.35Å; E211-H262 VanDerWaalsContact O-CD2 3.28Å
212I98.6Very high98Very high11 Ų1144.4 Ų44.46%0.05624%0.242CC..  trans-152.5143.6-178.5-163.1171.7000109.8P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 3.96Å; P184-I212 HydrophobicContact CG-CD1 4.02Å; A204-I212 HydrophobicContact CB-CD1 3.6Å; F207-I212 HydrophobicContact CD1-CD1 3.86Å; F207-I212 HydrophobicContact CD2-CB 4.23Å; F207-I212 HydrophobicContact CD2-CD1 3.99Å; F207-I212 HydrophobicContact CD2-CG2 4.5Å; F207-I212 HydrophobicContact CE1-CD1 3.79Å; F207-I212 HydrophobicContact CE1-CG2 4.42Å; F207-I212 HydrophobicContact CE2-CB 3.75Å; F207-I212 HydrophobicContact CE2-CD1 3.96Å; F207-I212 HydrophobicContact CE2-CG1 4.44Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 3.97Å; F207-I212 HydrophobicContact CZ-CB 4.13Å; F207-I212 HydrophobicContact CZ-CD1 3.87Å; F207-I212 HydrophobicContact CZ-CG2 3.54Å; A210-I212 PolarHBondContact O-N 3.32Å; I212-L214 HydrophobicContact CB-CD1 4.46Å; I212-L214 HydrophobicContact CD1-CD1 3.62Å; I212-L214 HydrophobicContact CG1-CD1 3.63Å; I212-L214 HydrophobicContact CG2-CD1 4.08Å; I212-K242 HydrophobicContact CG2-CB 4.29Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; I212-V260 HydrophobicContact CD1-CG1 4.06Å; I212-V260 HydrophobicContact CG1-CG1 4.37Å; I212-Q261 VanDerWaalsContact CG1-O 3.27Å; I212-Q261 WeakPolarHBondContact CG1-O 3.5Å; I212-H262 HydrophobicContact CD1-CB 4.43Å; I212-H262 HydrophobicContact CG1-CB 4.16Å
213T98.4Very high97.9Very high57 Ų5745.7 Ų45.735%0.3525%0.248SC..EExtended strand (participates in β ladder)trans-114.2123172.9-61.30000110.1T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 3.96Å; T213-V260 WeakPolarHBondContact O-CA 3.41Å; T213-Q261 PolarHBondContact N-O 3.03Å; T213-Q261 PolarHBondContact O-N 3.13Å
214L98.4Very high97.7Very high6 Ų648.8 Ų48.83%0.03127%0.272CS..EExtended strand (participates in β ladder)trans-117.3123.2171.3-85.562.9000108A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 3.98Å; A204-L214 HydrophobicContact CB-CD2 4.14Å; I212-L214 HydrophobicContact CB-CD1 4.46Å; I212-L214 HydrophobicContact CD1-CD1 3.62Å; I212-L214 HydrophobicContact CG1-CD1 3.63Å; I212-L214 HydrophobicContact CG2-CD1 4.08Å; L214-L229 HydrophobicContact CB-CD1 4.24Å; L214-K242 HydrophobicContact CD1-CD 4.26Å; L214-K242 HydrophobicContact CD2-CB 4.34Å; L214-K242 HydrophobicContact CD2-CG 4.39Å; L214-A244 HydrophobicContact CB-CB 4Å; L214-A244 HydrophobicContact CD2-CB 4.32Å; L214-H259 WeakPolarHBondContact CA-O 3.45Å; L214-V260 HydrophobicContact CD1-CG1 4.13Å; L214-V260 HydrophobicContact CG-CG2 4.36Å
215T98.3Very high97.6Very high42 Ų4258 Ų5826%0.25831%0.314SS..EExtended strand (participates in β ladder)trans-134.4146.1179.246.90000110.6T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 3.96Å; T215-C258 CarbonylContact O-C 3.54Å; T215-C258 WeakPolarHBondContact O-CA 3.3Å; T215-H259 PolarHBondContact N-O 3.22Å; T215-H259 PolarHBondContact O-N 3.39Å; T215-H259 WeakPolarHBondContact OG1-CB 3.46Å
216W98.4Very high97.3Very high2 Ų260.6 Ų60.61%0.00833%0.329CS..EExtended strand (participates in β ladder)trans-104.7136.1171.1-83.6105.5000109.9M188 L200 C202 Q223 A244 V246 T257 C258M188-W216 HydrophobicContact CE-CH2 3.5Å; M188-W216 HydrophobicContact CE-CZ2 4.4Å; M188-W216 HydrophobicContact CE-CZ3 4.3Å; M188-W216 HydrophobicContact SD-CH2 4.03Å; L200-W216 HydrophobicContact CB-CH2 3.65Å; L200-W216 HydrophobicContact CB-CZ2 3.82Å; L200-W216 HydrophobicContact CB-CZ3 4.48Å; L200-W216 HydrophobicContact CD1-CH2 4.06Å; L200-W216 HydrophobicContact CD1-CZ3 4.26Å; L200-W216 HydrophobicContact CG-CH2 4.5Å; C202-W216 HydrophobicContact CB-CZ2 3.71Å; W216-Q223 HydrophobicContact CB-CB 4.3Å; W216-Q223 PolarHBondContact O-N 2.96Å; W216-A244 PolarHBondContact NE1-O 3.4Å; W216-V246 HydrophobicContact CB-CG1 3.71Å; W216-V246 HydrophobicContact CB-CG2 4.49Å; W216-V246 HydrophobicContact CD2-CG1 4.31Å; W216-V246 HydrophobicContact CD2-CG2 3.65Å; W216-V246 HydrophobicContact CE3-CG2 3.99Å; W216-V246 HydrophobicContact CG-CB 4.42Å; W216-V246 HydrophobicContact CG-CG1 3.64Å; W216-V246 HydrophobicContact CG-CG2 3.89Å; W216-V246 HydrophobicContact CZ2-CG2 4.25Å; W216-V246 HydrophobicContact CZ3-CG2 4.43Å; W216-T257 WeakPolarHBondContact CA-O 3.42Å; W216-T257 VanDerWaalsContact CE3-O 3.31Å; W216-C258 HydrophobicContact CD2-CB 4.19Å; W216-C258 HydrophobicContact CE3-CB 4.16Å; W216-C258 HydrophobicContact CH2-CB 4.05Å; W216-C258 HydrophobicContact CZ2-CB 4.06Å; W216-C258 HydrophobicContact CZ3-CB 4.08Å
217Q98.4Very high97.3Very high43 Ų4360.8 Ų60.820%0.20133%0.325CS..EExtended strand (participates in β ladder)trans-120.1144.7171.1-70.2-174.9-7.800110.4E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.56Å; Q217-E221 WeakPolarHBondContact CA-O 3.42Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.41Å; Q217-D222 PolarHBondContact NE2-OD1 2.95Å; Q217-Y256 CarbonylContact O-C 3.53Å; Q217-Y256 VanDerWaalsContact O-CA 3.22Å; Q217-Y256 WeakPolarHBondContact O-CA 3.46Å; Q217-T257 PolarHBondContact N-O 2.86Å; Q217-T257 PolarHBondContact O-N 3.22Å; Q217-H259 PolarHBondContact OE1-NE2 2.96Å
218R98.1Very high97.3Very high72 Ų7266.2 Ų66.227%0.27235%0.351SS..EExtended strand (participates in β ladder)trans-116.1119167.5-176.3-172.4-176.1176.5-1.3108G220 E221 Q223 E252 R255 Y256R218-G220 PolarHBondContact O-N 2.97Å; R218-E221 PolarHBondContact N-O 3.22Å; R218-E221 PolarHBondContact O-N 2.92Å; R218-Q223 HydrophobicContact CB-CG 3.96Å; R218-E252 IonicContact CZ-OE2 3.13Å; R218-E252 IonicContact NE-OE2 3.3Å; R218-E252 IonicContact NH2-OE1 2.62Å; R218-E252 IonicContact NH2-OE2 2.86Å; R218-E252 PolarHBondContact NH2-OE2 2.78Å; R218-R255 WeakPolarHBondContact CA-O 3.39Å; R218-R255 HydrophobicContact CG-CB 4.39Å; R218-Y256 HydrophobicContact CB-CD1 4.01Å; R218-Y256 HydrophobicContact CB-CE1 3.77Å; R218-Y256 WeakPolarHBondContact CD-OH 3.43Å; R218-Y256 HydrophobicContact CG-CD1 4.36Å; R218-Y256 HydrophobicContact CG-CE1 3.92Å; R218-Y256 HydrophobicContact CG-CE2 4.16Å; R218-Y256 PolarHBondContact NE-OH 2.93Å
219D96.8Very high97.3Very high101 Ų10170.2 Ų70.254%0.5437%0.372SS..THydrogen-bonded Turntrans51.228.5-175-53-50.7000114.1R255D219-R255 PolarHBondContact N-O 3.1Å; D219-R255 IonicContact OD1-NE 3.64Å; D219-R255 PolarHBondContact OD1-NE 3.38Å; D219-R255 IonicContact OD2-CZ 3.66Å; D219-R255 IonicContact OD2-NE 3.77Å; D219-R255 PolarHBondContact OD2-NE 3.3Å; D219-R255 IonicContact OD2-NH2 2.71Å; D219-R255 PolarHBondContact OD2-NH2 3.46Å
220G94.4Very high97.3Very high49 Ų4970.9 Ų70.951%0.50538%0.375SS..THydrogen-bonded Turntrans91.6-0.8-177.900000115.6R218R218-G220 PolarHBondContact O-N 2.97Å
221E97.5Very high97.3Very high145 Ų14578.1 Ų78.168%0.67841%0.406SS*.EExtended strand (participates in β ladder)trans-100128.7177.3-63.1-172.1172.100112.1Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.56Å; Q217-E221 WeakPolarHBondContact CA-O 3.42Å; R218-E221 PolarHBondContact N-O 3.22Å; R218-E221 PolarHBondContact O-N 2.92Å; E221-Q223 PolarHBondContact O-NE2 3.11Å
222D97.4Very high97.3Very high93 Ų9373.5 Ų73.550%0.49739%0.388SS..EExtended strand (participates in β ladder)trans-61.8132.9-179-70.4-14.5000112.4Q217Q217-D222 WeakPolarHBondContact CG-OD1 3.41Å; Q217-D222 PolarHBondContact NE2-OD1 2.95Å
223Q97.3Very high97.3Very high27 Ų2777.6 Ų77.613%0.12640%0.403CS..  trans-102.741.9-177.5-58-60.3-71.800112.1W216 R218 E221 Q225 D226 T227 V246 Y256W216-Q223 HydrophobicContact CB-CB 4.3Å; W216-Q223 PolarHBondContact O-N 2.96Å; R218-Q223 HydrophobicContact CB-CG 3.96Å; E221-Q223 PolarHBondContact O-NE2 3.11Å; Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.04Å; Q223-D226 PolarHBondContact O-N 2.8Å; Q223-T227 WeakPolarHBondContact O-CB 3.41Å; Q223-T227 PolarHBondContact O-N 3.44Å; Q223-T227 PolarHBondContact O-OG1 3.39Å; Q223-V246 HydrophobicContact CB-CG1 4.41Å; Q223-Y256 HydrophobicContact CG-CE1 4.48Å
224T94.4Very high97.2Very high110 Ų11079.5 Ų79.568%0.67542%0.416SS*.THydrogen-bonded Turntrans-59.1-36-170.3-48.20000113.8
225Q95Very high97.2Very high192 Ų19281.6 Ų81.690%0.89743%0.434SS*.THydrogen-bonded Turntrans-75.8-30.1-179.2-65.7-174.1-2.800113Q223Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.04Å
226D94.1Very high97Very high112 Ų11283.2 Ų83.260%0.59946%0.46SS*.THydrogen-bonded Turntrans-96.6-2-176.7-55.4-59.8000112.7Q223Q223-D226 PolarHBondContact O-N 2.8Å
227T97.5Very high96.8Very high26 Ų2688.3 Ų88.316%0.1649%0.487CS..EExtended strand (participates in β ladder)trans-90.4119179.3-62.30000110.8Q223 L229 A244 A245 V246Q223-T227 WeakPolarHBondContact O-CB 3.41Å; Q223-T227 PolarHBondContact O-N 3.44Å; Q223-T227 PolarHBondContact O-OG1 3.39Å; T227-L229 HydrophobicContact CG2-CB 4.34Å; T227-L229 PolarHBondContact O-N 3.27Å; T227-A244 HydrophobicContact CG2-CB 3.91Å; T227-A245 CarbonylContact C-O 3.52Å; T227-A245 WeakPolarHBondContact CA-O 3.3Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.46Å
228E97.9Very high96.6Very high114 Ų11488.1 Ų88.153%0.53350%0.497SS..EExtended strand (participates in β ladder)trans-75.8110.3162.3-172.8-174.3-171.200108.9W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.18Å; E228-W243 HydrophobicContact CG-CH2 3.85Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.32Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.16Å; E228-A244 CarbonylContact O-C 3.56Å; E228-A244 WeakPolarHBondContact O-CA 3.32Å; E228-A245 HydrophobicContact CB-CB 4.44Å; E228-A245 PolarHBondContact N-O 3.37Å; E228-A245 PolarHBondContact O-N 2.9Å
229L97.8Very high96.6Very high89 Ų8985.4 Ų85.447%0.46649%0.488SS..EExtended strand (participates in β ladder)trans-117.4117.9-179.2-172.967.6000110.1L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.24Å; T227-L229 HydrophobicContact CG2-CB 4.34Å; T227-L229 PolarHBondContact O-N 3.27Å; L229-K242 HydrophobicContact CD1-CD 4.46Å; L229-A244 HydrophobicContact CD1-CB 3.61Å
230V97.8Very high96.7Very high35 Ų3582 Ų8221%0.21247%0.468CS..PPolyproline II helixtrans-81.8153.8175.7-65.60000112.2K242 W243V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 WeakPolarHBondContact O-CE 3.48Å; V230-K242 PolarHBondContact O-NZ 3.46Å; V230-W243 HydrophobicContact CB-CZ2 4.41Å; V230-W243 HydrophobicContact CG1-CD2 3.98Å; V230-W243 HydrophobicContact CG1-CE3 4.35Å; V230-W243 HydrophobicContact CG1-CH2 3.63Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.18Å; V230-W243 HydrophobicContact CG2-CD2 3.81Å; V230-W243 HydrophobicContact CG2-CG 3.76Å; V230-W243 HydrophobicContact CG2-CZ2 4.45Å; V230-W243 WeakPolarHBondContact CG2-O 3.41Å; V230-W243 PolarHBondContact N-O 3.22Å
231E97.6Very high96.9Very high170 Ų17081.8 Ų81.879%0.79445%0.454SS*.PPolyproline II helixtrans-56146.2166.9-68.3-174.7172.400111R233E231-R233 PolarHBondContact O-N 3.26Å
232T98.5Very high96.9Very high47 Ų4776 Ų7629%0.28843%0.427SS..PPolyproline II helixtrans-66.5129.2172-57.70000108.2F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.05Å; F207-T232 HydrophobicContact CZ-CG2 3.88Å; A210-T232 HydrophobicContact CB-CG2 4.33Å; T232-F240 HydrophobicContact CG2-CB 3.84Å; T232-F240 HydrophobicContact CG2-CD1 3.94Å; T232-F240 HydrophobicContact CG2-CG 4.16Å; T232-K242 WeakPolarHBondContact OG1-CD 3.32Å; T232-K242 PolarHBondContact OG1-NZ 3.45Å
233R98.2Very high97Very high98 Ų9872.7 Ų72.737%0.3741%0.407SS..EExtended strand (participates in β ladder)trans-128.3145.7-173.667.5-169.6-178.5-174.23.5111.5E231 F240 Q241E231-R233 PolarHBondContact O-N 3.26Å; R233-F240 WeakPolarHBondContact O-CA 3.25Å; R233-Q241 HydrophobicContact CG-CG 3.55Å; R233-Q241 PolarHBondContact N-O 3.31Å; R233-Q241 WeakPolarHBondContact O-CG 3.47Å; R233-Q241 PolarHBondContact O-N 3.33Å
234P97.8Very high97.1Very high96 Ų9671.4 Ų71.462%0.62340%0.401SS*.EExtended strand (participates in β ladder)trans-69.2146179.429-34.9000111.3F240P234-F240 HydrophobicContact CB-CE1 4.37Å
235A97.4Very high97.2Very high50 Ų5066.2 Ų66.241%0.41337%0.37SS..  trans-89.3-17172.600000113T239A235-T239 PolarHBondContact N-O 2.82Å
236G95.2Very high97.4Very high77 Ų7757.3 Ų57.379%0.79433%0.328SS*.SBendtrans95.5-6.8179.200000114.9
237D94.4Very high97.6Very high109 Ų10955.6 Ų55.658%0.58332%0.322SS*.SBendtrans-106.214.1176.961.90.4000113T239D237-T239 WeakPolarHBondContact OD1-CB 3.49Å; D237-T239 PolarHBondContact OD1-N 3.46Å; D237-T239 PolarHBondContact OD1-OG1 3.24Å
238G93.7Very high97.6Very high39 Ų3954.4 Ų54.440%0.40231%0.314SS..SBendtrans84.46.6-173.800000114.3Y208Y208-G238 VanDerWaalsContact CD2-O 3.3Å; Y208-G238 WeakPolarHBondContact CD2-O 3.44Å
239T97.8Very high97.6Very high15 Ų1551.1 Ų51.19%0.09230%0.303CS..  trans-110173.1171.473.70000112.2G206 F207 A235 D237G206-T239 WeakPolarHBondContact CA-OG1 3.4Å; F207-T239 CarbonylContact O-C 3.52Å; F207-T239 WeakPolarHBondContact O-CA 3.47Å; A235-T239 PolarHBondContact N-O 2.82Å; D237-T239 WeakPolarHBondContact OD1-CB 3.49Å; D237-T239 PolarHBondContact OD1-N 3.46Å; D237-T239 PolarHBondContact OD1-OG1 3.24Å
240F98.6Very high97.4Very high29 Ų2949.7 Ų49.713%0.12730%0.3CS..EExtended strand (participates in β ladder)trans-121162.5-178-63.7-86.4000112.3D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.81Å; D29-F240 HydrophobicContact CB-CZ 3.76Å; G206-F240 PolarHBondContact N-O 2.76Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.39Å; F207-F240 HydrophobicContact CD2-CB 3.9Å; F207-F240 HydrophobicContact CE1-CB 4.22Å; F207-F240 WeakPolarHBondContact CE1-O 3.46Å; F207-F240 HydrophobicContact CE2-CB 3.44Å; F207-F240 VanDerWaalsContact CE2-CB 3.44Å; F207-F240 HydrophobicContact CE2-CG 4.43Å; F207-F240 HydrophobicContact CG-CB 4.42Å; F207-F240 HydrophobicContact CZ-CB 3.61Å; F207-F240 PolarHBondContact N-O 3.34Å; F207-F240 PolarHBondContact O-N 2.97Å; Y208-F240 HydrophobicContact CD2-CD2 4.46Å; Y208-F240 AromaticContact CD2-CE2 3.99Å; Y208-F240 HydrophobicContact CD2-CE2 3.99Å; Y208-F240 HydrophobicContact CE2-CE2 4.44Å; A210-F240 HydrophobicContact CB-CD1 3.77Å; A210-F240 HydrophobicContact CB-CD2 3.73Å; A210-F240 HydrophobicContact CB-CE1 3.7Å; A210-F240 HydrophobicContact CB-CE2 3.67Å; A210-F240 HydrophobicContact CB-CG 3.8Å; A210-F240 HydrophobicContact CB-CZ 3.67Å; T232-F240 HydrophobicContact CG2-CB 3.84Å; T232-F240 HydrophobicContact CG2-CD1 3.94Å; T232-F240 HydrophobicContact CG2-CG 4.16Å; R233-F240 WeakPolarHBondContact O-CA 3.25Å; P234-F240 HydrophobicContact CB-CE1 4.37Å
241Q98.6Very high97.3Very high45 Ų4551.2 Ų51.221%0.2132%0.323CS..EExtended strand (participates in β ladder)trans-140.1147174.147.8169.2-26.500110.4A204 L205 R233A204-Q241 VanDerWaalsContact O-CA 3.31Å; A204-Q241 WeakPolarHBondContact O-CA 3.25Å; L205-Q241 HydrophobicContact CD2-CB 3.54Å; R233-Q241 HydrophobicContact CG-CG 3.55Å; R233-Q241 PolarHBondContact N-O 3.31Å; R233-Q241 WeakPolarHBondContact O-CG 3.47Å; R233-Q241 PolarHBondContact O-N 3.33Å
242K98.8Very high97.3Very high22 Ų2245.6 Ų45.610%0.09630%0.297CS..EExtended strand (participates in β ladder)trans-151.4153.7176.6-162.6-177.1-171.569.80109.2A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 3.5Å; A204-K242 PolarHBondContact O-N 3.12Å; A204-K242 VanDerWaalsContact O-O 3.1Å; F207-K242 HydrophobicContact CE1-CB 4.33Å; F207-K242 HydrophobicContact CZ-CB 4.11Å; I212-K242 HydrophobicContact CG2-CB 4.29Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; L214-K242 HydrophobicContact CD1-CD 4.26Å; L214-K242 HydrophobicContact CD2-CB 4.34Å; L214-K242 HydrophobicContact CD2-CG 4.39Å; L229-K242 HydrophobicContact CD1-CD 4.46Å; V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 WeakPolarHBondContact O-CE 3.48Å; V230-K242 PolarHBondContact O-NZ 3.46Å; T232-K242 WeakPolarHBondContact OG1-CD 3.32Å; T232-K242 PolarHBondContact OG1-NZ 3.45Å
243W98.6Very high97.2Very high24 Ų2444.3 Ų44.39%0.09129%0.288CS..EExtended strand (participates in β ladder)trans-142156.3168.159.7-98.5000111.4R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 3.99Å; R201-W243 HydrophobicContact CG-CD2 4.14Å; R201-W243 HydrophobicContact CG-CE3 3.92Å; R201-W243 HydrophobicContact CG-CG 4.22Å; C202-W243 CarbonylContact O-C 3.5Å; C202-W243 WeakPolarHBondContact O-CA 3.5Å; C202-W243 VanDerWaalsContact O-CB 3.26Å; C202-W243 WeakPolarHBondContact O-CB 3.41Å; W203-W243 HydrophobicContact CD2-CB 3.88Å; W203-W243 HydrophobicContact CD2-CG 4.41Å; W203-W243 HydrophobicContact CE3-CB 3.84Å; W203-W243 AromaticContact CE3-CD1 3.88Å; W203-W243 HydrophobicContact CE3-CG 4.19Å; W203-W243 HydrophobicContact CG-CB 4.32Å; W203-W243 AromaticContact CH2-CD1 3.5Å; W203-W243 VanDerWaalsContact CH2-CD1 3.5Å; W203-W243 HydrophobicContact CH2-CG 4.17Å; W203-W243 AromaticContact CH2-NE1 3.97Å; W203-W243 HydrophobicContact CZ2-CG 4.39Å; W203-W243 HydrophobicContact CZ3-CB 4.24Å; W203-W243 AromaticContact CZ3-CD1 3.37Å; W203-W243 HydrophobicContact CZ3-CG 4.08Å; E228-W243 HydrophobicContact CB-CZ3 4.18Å; E228-W243 HydrophobicContact CG-CH2 3.85Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.32Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.16Å; V230-W243 HydrophobicContact CB-CZ2 4.41Å; V230-W243 HydrophobicContact CG1-CD2 3.98Å; V230-W243 HydrophobicContact CG1-CE3 4.35Å; V230-W243 HydrophobicContact CG1-CH2 3.63Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.18Å; V230-W243 HydrophobicContact CG2-CD2 3.81Å; V230-W243 HydrophobicContact CG2-CG 3.76Å; V230-W243 HydrophobicContact CG2-CZ2 4.45Å; V230-W243 WeakPolarHBondContact CG2-O 3.41Å; V230-W243 PolarHBondContact N-O 3.22Å; W243-A245 HydrophobicContact CE3-CB 3.93Å; W243-A245 HydrophobicContact CZ3-CB 3.65Å
244A98.5Very high97.1Very high0 Ų044.9 Ų44.90%029%0.294CS..EExtended strand (participates in β ladder)trans-129.4133.9173.600000108.5R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.37Å; C202-A244 PolarHBondContact N-O 3.48Å; C202-A244 PolarHBondContact O-N 2.76Å; L214-A244 HydrophobicContact CB-CB 4Å; L214-A244 HydrophobicContact CD2-CB 4.32Å; W216-A244 PolarHBondContact NE1-O 3.4Å; T227-A244 HydrophobicContact CG2-CB 3.91Å; E228-A244 CarbonylContact O-C 3.56Å; E228-A244 WeakPolarHBondContact O-CA 3.32Å; L229-A244 HydrophobicContact CD1-CB 3.61Å
245A98.4Very high97.1Very high2 Ų244.9 Ų44.92%0.01728%0.282CS..EExtended strand (participates in β ladder)trans-128.1146.6-179.600000112.3T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.84Å; L200-A245 CarbonylContact O-C 3.6Å; L200-A245 WeakPolarHBondContact O-CA 3.31Å; R201-A245 HydrophobicContact CB-CB 4.06Å; R201-A245 HydrophobicContact CG-CB 4.14Å; T227-A245 CarbonylContact C-O 3.52Å; T227-A245 WeakPolarHBondContact CA-O 3.3Å; E228-A245 HydrophobicContact CB-CB 4.44Å; E228-A245 PolarHBondContact N-O 3.37Å; E228-A245 PolarHBondContact O-N 2.9Å; W243-A245 HydrophobicContact CE3-CB 3.93Å; W243-A245 HydrophobicContact CZ3-CB 3.65Å
246V98.3Very high97.2Very high4 Ų442.9 Ų42.92%0.02426%0.264CS..EExtended strand (participates in β ladder)trans-131.3145.3172.5-72.70000109.2T199 L200 W216 Q223 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.1Å; L200-V246 HydrophobicContact CB-CG2 4.2Å; L200-V246 PolarHBondContact N-O 3.4Å; L200-V246 PolarHBondContact O-N 2.85Å; W216-V246 HydrophobicContact CB-CG1 3.71Å; W216-V246 HydrophobicContact CB-CG2 4.49Å; W216-V246 HydrophobicContact CD2-CG1 4.31Å; W216-V246 HydrophobicContact CD2-CG2 3.65Å; W216-V246 HydrophobicContact CE3-CG2 3.99Å; W216-V246 HydrophobicContact CG-CB 4.42Å; W216-V246 HydrophobicContact CG-CG1 3.64Å; W216-V246 HydrophobicContact CG-CG2 3.89Å; W216-V246 HydrophobicContact CZ2-CG2 4.25Å; W216-V246 HydrophobicContact CZ3-CG2 4.43Å; Q223-V246 HydrophobicContact CB-CG1 4.41Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.46Å; V246-V248 HydrophobicContact CB-CG1 4.38Å; V246-V248 HydrophobicContact CG2-CG1 3.76Å; V246-Y256 HydrophobicContact CG2-CD1 4.09Å
247V98.2Very high97.3Very high76 Ų7639.6 Ų39.646%0.46123%0.229SC..EExtended strand (participates in β ladder)trans-87.3127.5168-179.90000107.7I193 E197 A198I193-V247 HydrophobicContact CD1-CG1 3.98Å; I193-V247 HydrophobicContact CD1-CG2 4.01Å; E197-V247 HydrophobicContact CB-CG1 4.02Å; E197-V247 HydrophobicContact CG-CG1 4.23Å; A198-V247 WeakPolarHBondContact O-CA 3.39Å
248V97.6Very high97.5Very high1 Ų134.4 Ų34.41%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-126.1145.8-175.7-52.80000110.6E197 A198 L200 V246 E253 Y256E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.45Å; A198-V248 PolarHBondContact N-O 3.13Å; A198-V248 PolarHBondContact O-N 3.4Å; L200-V248 HydrophobicContact CD1-CG1 3.96Å; L200-V248 HydrophobicContact CD1-CG2 3.98Å; L200-V248 HydrophobicContact CG-CG1 4.18Å; L200-V248 HydrophobicContact CG-CG2 3.82Å; V246-V248 HydrophobicContact CB-CG1 4.38Å; V246-V248 HydrophobicContact CG2-CG1 3.76Å; V248-E253 HydrophobicContact CG2-CG 3.99Å; V248-Y256 HydrophobicContact CB-CD2 4.02Å; V248-Y256 HydrophobicContact CB-CE2 3.67Å; V248-Y256 HydrophobicContact CG1-CD1 3.78Å; V248-Y256 HydrophobicContact CG1-CD2 3.59Å; V248-Y256 HydrophobicContact CG1-CE1 3.69Å; V248-Y256 HydrophobicContact CG1-CE2 3.52Å; V248-Y256 HydrophobicContact CG1-CG 3.72Å
249P97.4Very high97.7Very high46 Ų4634.1 Ų34.130%0.29919%0.189SC..EExtended strand (participates in β ladder)trans-63.2140.6170.6-20.332.4000111.3H196 G251 E252H196-P249 CarbonylContact O-C 3.56Å; H196-P249 VanDerWaalsContact O-CA 3.31Å; H196-P249 WeakPolarHBondContact O-CA 3.09Å; P249-G251 PolarHBondContact O-N 2.9Å; P249-E252 HydrophobicContact CB-CB 4.33Å; P249-E252 HydrophobicContact CB-CG 4.09Å; P249-E252 HydrophobicContact CG-CG 4.48Å; P249-E252 WeakPolarHBondContact O-CB 3.35Å; P249-E252 PolarHBondContact O-N 3.46Å
250S95Very high97.8Very high58 Ų5833.4 Ų33.441%0.40619%0.185SC..THydrogen-bonded Turntrans-59.4129.2176-62.10000111.2H196 E197 E253H196-S250 VanDerWaalsContact C-OG 3.24Å; H196-S250 PolarHBondContact O-N 3.19Å; E197-S250 PolarHBondContact N-OG 3.5Å; S250-E253 WeakPolarHBondContact CA-OE1 3.25Å
251G94.9Very high97.8Very high67 Ų6736.8 Ų36.869%0.69120%0.201SC*.THydrogen-bonded Turntrans89.6-5.7-176.300000114.7P249 E253P249-G251 PolarHBondContact O-N 2.9Å; G251-E253 WeakPolarHBondContact CA-OE2 3.4Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.37Å; G251-E253 PolarHBondContact N-OE2 3.22Å
252E97.2Very high97.8Very high53 Ų5335.4 Ų35.425%0.24819%0.194CC..  trans-101.24.5175.7-66-160.9-16200113.9R218 P249 Q254 R255 Y256R218-E252 IonicContact CZ-OE2 3.13Å; R218-E252 IonicContact NE-OE2 3.3Å; R218-E252 IonicContact NH2-OE1 2.62Å; R218-E252 IonicContact NH2-OE2 2.86Å; R218-E252 PolarHBondContact NH2-OE2 2.78Å; P249-E252 HydrophobicContact CB-CB 4.33Å; P249-E252 HydrophobicContact CB-CG 4.09Å; P249-E252 HydrophobicContact CG-CG 4.48Å; P249-E252 WeakPolarHBondContact O-CB 3.35Å; P249-E252 PolarHBondContact O-N 3.46Å; E252-Q254 PolarHBondContact O-N 2.79Å; E252-Q254 VanDerWaalsContact O-N 3.09Å; E252-R255 VanDerWaalsContact CD-NH1 3.3Å; E252-R255 WeakPolarHBondContact O-CB 3.43Å; E252-R255 PolarHBondContact O-N 2.87Å; E252-R255 IonicContact OE1-NH1 2.68Å; E252-R255 IonicContact OE2-CZ 3.49Å; E252-R255 IonicContact OE2-NE 3.71Å; E252-R255 IonicContact OE2-NH1 3.77Å; E252-R255 PolarHBondContact OE2-NH1 3.44Å; E252-Y256 HydrophobicContact CB-CE2 4.31Å; E252-Y256 WeakPolarHBondContact O-CD2 3.41Å
253E96.7Very high97.7Very high19 Ų1941.2 Ų41.29%0.08922%0.222CC..G310 helixtrans-57.1-34.7-170.3-58.482.1-179.500112.6H190 L200 V248 S250 G251 R255 Y256 W273H190-E253 IonicContact NE2-OE1 3.2Å; L200-E253 HydrophobicContact CD1-CB 4.14Å; L200-E253 HydrophobicContact CD1-CG 4.49Å; L200-E253 HydrophobicContact CD2-CG 4.34Å; V248-E253 HydrophobicContact CG2-CG 3.99Å; S250-E253 WeakPolarHBondContact CA-OE1 3.25Å; G251-E253 WeakPolarHBondContact CA-OE2 3.4Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.37Å; G251-E253 PolarHBondContact N-OE2 3.22Å; E253-R255 PolarHBondContact O-N 3.25Å; E253-Y256 PolarHBondContact O-N 3.1Å; E253-Y256 VanDerWaalsContact O-N 3.13Å; E253-W273 HydrophobicContact CB-CD2 4.49Å; E253-W273 HydrophobicContact CB-CE3 3.51Å; E253-W273 HydrophobicContact CB-CZ3 4.05Å; E253-W273 HydrophobicContact CG-CE3 3.63Å; E253-W273 HydrophobicContact CG-CZ3 3.78Å
254Q96.7Very high97.6Very high110 Ų11041.1 Ų41.151%0.51423%0.228SC..G310 helixtrans-70.2-16.1-179.9-64.7-58.3-45.800114.3E252 W273E252-Q254 PolarHBondContact O-N 2.79Å; E252-Q254 VanDerWaalsContact O-N 3.09Å; Q254-W273 PolarHBondContact NE2-O 3.16Å
255R97.8Very high97.5Very high96 Ų9642.4 Ų42.436%0.36224%0.235SC..G310 helixtrans-75.6-17173.5-64174.267.1-179.85.7112R218 D219 E252 E253R218-R255 WeakPolarHBondContact CA-O 3.39Å; R218-R255 HydrophobicContact CG-CB 4.39Å; D219-R255 PolarHBondContact N-O 3.1Å; D219-R255 IonicContact OD1-NE 3.64Å; D219-R255 PolarHBondContact OD1-NE 3.38Å; D219-R255 IonicContact OD2-CZ 3.66Å; D219-R255 IonicContact OD2-NE 3.77Å; D219-R255 PolarHBondContact OD2-NE 3.3Å; D219-R255 IonicContact OD2-NH2 2.71Å; D219-R255 PolarHBondContact OD2-NH2 3.46Å; E252-R255 VanDerWaalsContact CD-NH1 3.3Å; E252-R255 WeakPolarHBondContact O-CB 3.43Å; E252-R255 PolarHBondContact O-N 2.87Å; E252-R255 IonicContact OE1-NH1 2.68Å; E252-R255 IonicContact OE2-CZ 3.49Å; E252-R255 IonicContact OE2-NE 3.71Å; E252-R255 IonicContact OE2-NH1 3.77Å; E252-R255 PolarHBondContact OE2-NH1 3.44Å; E253-R255 PolarHBondContact O-N 3.25Å
256Y98.3Very high97.5Very high9 Ų948.6 Ų48.64%0.03528%0.275CS..EExtended strand (participates in β ladder)trans-98.1132.3-176.4-66.4-97.8000111.4Q217 R218 Q223 V246 V248 E252 E253Q217-Y256 CarbonylContact O-C 3.53Å; Q217-Y256 VanDerWaalsContact O-CA 3.22Å; Q217-Y256 WeakPolarHBondContact O-CA 3.46Å; R218-Y256 HydrophobicContact CB-CD1 4.01Å; R218-Y256 HydrophobicContact CB-CE1 3.77Å; R218-Y256 WeakPolarHBondContact CD-OH 3.43Å; R218-Y256 HydrophobicContact CG-CD1 4.36Å; R218-Y256 HydrophobicContact CG-CE1 3.92Å; R218-Y256 HydrophobicContact CG-CE2 4.16Å; R218-Y256 PolarHBondContact NE-OH 2.93Å; Q223-Y256 HydrophobicContact CG-CE1 4.48Å; V246-Y256 HydrophobicContact CG2-CD1 4.09Å; V248-Y256 HydrophobicContact CB-CD2 4.02Å; V248-Y256 HydrophobicContact CB-CE2 3.67Å; V248-Y256 HydrophobicContact CG1-CD1 3.78Å; V248-Y256 HydrophobicContact CG1-CD2 3.59Å; V248-Y256 HydrophobicContact CG1-CE1 3.69Å; V248-Y256 HydrophobicContact CG1-CE2 3.52Å; V248-Y256 HydrophobicContact CG1-CG 3.72Å; E252-Y256 HydrophobicContact CB-CE2 4.31Å; E252-Y256 WeakPolarHBondContact O-CD2 3.41Å; E253-Y256 PolarHBondContact O-N 3.1Å; E253-Y256 VanDerWaalsContact O-N 3.13Å
257T98.3Very high97.4Very high8 Ų856.2 Ų56.25%0.04931%0.308CS..EExtended strand (participates in β ladder)trans-124.7132.8174.844.10000110.9W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.42Å; W216-T257 VanDerWaalsContact CE3-O 3.31Å; Q217-T257 PolarHBondContact N-O 2.86Å; Q217-T257 PolarHBondContact O-N 3.22Å; T257-H259 WeakPolarHBondContact CB-NE2 3.37Å; T257-H259 PolarHBondContact OG1-NE2 3.01Å; T257-T270 HydrophobicContact CG2-CG2 3.84Å; T257-L271 CarbonylContact C-O 3.53Å; T257-L271 VanDerWaalsContact CA-O 3.3Å; T257-L271 WeakPolarHBondContact CA-O 3.41Å; T257-R272 HydrophobicContact CG2-CG 3.53Å
258C98.5Very high97.4Very high0 Ų056.5 Ų56.50%031%0.311CS..EExtended strand (participates in β ladder)trans-91.5129.4167.2175.30000109.8C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.48Å; C202-C258 VanDerWaalsContact CB-CB 3.48Å; C202-C258 WeakPolarHBondContact CB-SG 3.33Å; C202-C258 WeakPolarHBondContact SG-CB 3.41Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 2.73Å; T215-C258 CarbonylContact O-C 3.54Å; T215-C258 WeakPolarHBondContact O-CA 3.3Å; W216-C258 HydrophobicContact CD2-CB 4.19Å; W216-C258 HydrophobicContact CE3-CB 4.16Å; W216-C258 HydrophobicContact CH2-CB 4.05Å; W216-C258 HydrophobicContact CZ2-CB 4.06Å; W216-C258 HydrophobicContact CZ3-CB 4.08Å; C258-T270 CarbonylContact O-C 3.6Å; C258-T270 WeakPolarHBondContact O-CA 3.29Å; C258-L271 HydrophobicContact CB-CB 4.27Å; C258-L271 PolarHBondContact N-O 3.37Å; C258-L271 PolarHBondContact O-N 3.19Å
259H98.4Very high97.4Very high33 Ų3359.2 Ų59.215%0.15333%0.326CS..EExtended strand (participates in β ladder)trans-109.8129176.4-63.3-103.8000110L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.45Å; T215-H259 PolarHBondContact N-O 3.22Å; T215-H259 PolarHBondContact O-N 3.39Å; T215-H259 WeakPolarHBondContact OG1-CB 3.46Å; Q217-H259 PolarHBondContact OE1-NE2 2.96Å; T257-H259 WeakPolarHBondContact CB-NE2 3.37Å; T257-H259 PolarHBondContact OG1-NE2 3.01Å; H259-L269 WeakPolarHBondContact CA-O 3.18Å; H259-T270 PolarHBondContact ND1-OG1 3.5Å
260V98.6Very high97.4Very high0 Ų061 Ų610%034%0.336CS..EExtended strand (participates in β ladder)trans-122.4123.1-177.5-173.80000109.6P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.9Å; T186-V260 HydrophobicContact CG2-CB 4.34Å; T186-V260 HydrophobicContact CG2-CG1 4.09Å; T186-V260 HydrophobicContact CG2-CG2 3.99Å; I212-V260 HydrophobicContact CD1-CG1 4.06Å; I212-V260 HydrophobicContact CG1-CG1 4.37Å; T213-V260 WeakPolarHBondContact O-CA 3.41Å; L214-V260 HydrophobicContact CD1-CG1 4.13Å; L214-V260 HydrophobicContact CG-CG2 4.36Å; V260-L265 HydrophobicContact CG1-CD1 4.24Å; V260-P268 WeakPolarHBondContact O-CA 2.93Å; V260-L269 HydrophobicContact CB-CB 4.33Å; V260-L269 PolarHBondContact N-O 3.29Å; V260-L269 PolarHBondContact O-N 3.15Å; V260-L271 HydrophobicContact CG2-CD1 4Å
261Q98.6Very high97.5Very high100 Ų10060 Ų6047%0.46733%0.325SS..EExtended strand (participates in β ladder)trans-119.5131.7173.8-53.9-176.910.200109.8I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.27Å; I212-Q261 WeakPolarHBondContact CG1-O 3.5Å; T213-Q261 PolarHBondContact N-O 3.03Å; T213-Q261 PolarHBondContact O-N 3.13Å; Q261-P268 HydrophobicContact CG-CB 4.06Å; Q261-P268 HydrophobicContact CG-CG 4.12Å
262H98.5Very high97.5Very high15 Ų1564.1 Ų64.17%0.06932%0.32CS..  trans-156.4145.7179.4-177.4-98.7000108.5D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 3.35Å; P184-H262 HydrophobicContact CG-CB 4.04Å; F207-H262 AromaticContact CD2-CD2 3.86Å; F207-H262 AromaticContact CD2-NE2 3.79Å; Y208-H262 PolarHBondContact O-CE1 3.09Å; P209-H262 PolarHBondContact O-NE2 2.94Å; E211-H262 PolarHBondContact O-CD2 3.35Å; E211-H262 VanDerWaalsContact O-CD2 3.28Å; I212-H262 HydrophobicContact CD1-CB 4.43Å; I212-H262 HydrophobicContact CG1-CB 4.16Å; H262-G264 PolarHBondContact ND1-N 2.97Å; H262-G264 PolarHBondContact O-N 3.06Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.17Å; H262-L265 WeakPolarHBondContact O-CB 3.22Å; H262-L265 PolarHBondContact O-N 3.36Å
263E96.6Very high97.2Very high144 Ų14468.5 Ų68.567%0.67334%0.335SS*.THydrogen-bonded Turntrans-58.4-32.1-178-176.1172.8170.900112.8T181 L265T181-E263 HydrophobicContact CG2-CB 4.14Å; T181-E263 HydrophobicContact CG2-CG 4.31Å; E263-L265 PolarHBondContact O-N 3.19Å
264G96.4Very high97.2Very high22 Ų2271 Ų7123%0.22735%0.347CS..THydrogen-bonded Turntrans-73.2-8.3177.800000114.7H262H262-G264 PolarHBondContact ND1-N 2.97Å; H262-G264 PolarHBondContact O-N 3.06Å
265L97.9Very high97.2Very high27 Ų2768.9 Ų68.914%0.14134%0.338CS..  trans-93.8126.9177.4-67.1170.7000110P183 P184 V260 H262 E263 K267 L269P183-L265 HydrophobicContact CB-CD2 3.9Å; P183-L265 HydrophobicContact CB-CG 4.44Å; P184-L265 HydrophobicContact CG-CD1 3.9Å; P184-L265 HydrophobicContact CG-CD2 4.48Å; P184-L265 HydrophobicContact CG-CG 4.25Å; V260-L265 HydrophobicContact CG1-CD1 4.24Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.17Å; H262-L265 WeakPolarHBondContact O-CB 3.22Å; H262-L265 PolarHBondContact O-N 3.36Å; E263-L265 PolarHBondContact O-N 3.19Å; L265-K267 WeakPolarHBondContact CB-O 3.4Å; L265-K267 PolarHBondContact O-N 2.93Å; L265-L269 HydrophobicContact CD1-CD1 4.05Å; L265-L269 HydrophobicContact CD1-CG 3.92Å; L265-L269 HydrophobicContact CD2-CD1 3.79Å; L265-L269 HydrophobicContact CD2-CD2 4.48Å; L265-L269 HydrophobicContact CD2-CG 4.01Å
266P96.9Very high97.2Very high133 Ų13367.4 Ų67.486%0.86434%0.337SS*.SBendtrans-65.7-24.4177.427-34.6000112.5
267K97.2Very high97.1Very high163 Ų16370.9 Ų70.971%0.70936%0.355SS*.SBendtrans-148150.3173.1-61.4-175.8-176.3178.50109.1L265L265-K267 WeakPolarHBondContact CB-O 3.4Å; L265-K267 PolarHBondContact O-N 2.93Å
268P97.7Very high97.1Very high82 Ų8274.8 Ų74.853%0.53237%0.374SS..  trans-52.3142171.6-27.436.1000112.3V260 Q261V260-P268 WeakPolarHBondContact O-CA 2.93Å; Q261-P268 HydrophobicContact CG-CB 4.06Å; Q261-P268 HydrophobicContact CG-CG 4.12Å
269L98.1Very high97Very high59 Ų5979.8 Ų79.831%0.30940%0.399SS..EExtended strand (participates in β ladder)trans-90.8146.5174-60.7177.9000110.1T186 H259 V260 L265T186-L269 HydrophobicContact CG2-CD1 4.16Å; H259-L269 WeakPolarHBondContact CA-O 3.18Å; V260-L269 HydrophobicContact CB-CB 4.33Å; V260-L269 PolarHBondContact N-O 3.29Å; V260-L269 PolarHBondContact O-N 3.15Å; L265-L269 HydrophobicContact CD1-CD1 4.05Å; L265-L269 HydrophobicContact CD1-CG 3.92Å; L265-L269 HydrophobicContact CD2-CD1 3.79Å; L265-L269 HydrophobicContact CD2-CD2 4.48Å; L265-L269 HydrophobicContact CD2-CG 4.01Å
270T98Very high96.9Very high83 Ų8383.1 Ų83.151%0.50942%0.416SS..EExtended strand (participates in β ladder)trans-125.8121.5170.5-56.60000107.8T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.84Å; C258-T270 CarbonylContact O-C 3.6Å; C258-T270 WeakPolarHBondContact O-CA 3.29Å; H259-T270 PolarHBondContact ND1-OG1 3.5Å
271L96.6Very high96.7Very high37 Ų3789.5 Ų89.519%0.19445%0.448CS..EExtended strand (participates in β ladder)trans-119143.5-173.2-59.8156.1000109.3T186 M188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.14Å; M188-L271 HydrophobicContact CG-CB 4.36Å; M188-L271 HydrophobicContact SD-CB 3.76Å; T257-L271 CarbonylContact C-O 3.53Å; T257-L271 VanDerWaalsContact CA-O 3.3Å; T257-L271 WeakPolarHBondContact CA-O 3.41Å; C258-L271 HydrophobicContact CB-CB 4.27Å; C258-L271 PolarHBondContact N-O 3.37Å; C258-L271 PolarHBondContact O-N 3.19Å; V260-L271 HydrophobicContact CG2-CD1 4Å
272R94.7Very high96.6Very high154 Ų15488.7 Ų88.758%0.58145%0.446SS*.  trans-129.8160170.1-68.8-173.2175.6144.42.9108.7T257T257-R272 HydrophobicContact CG2-CG 3.53Å
273W90.2Very high96.4Very high145 Ų14595.4 Ų95.455%0.54948%0.481SS..  trans-72.20174.2-178.850.3000110.8M188 H190 L200 E253 Q254M188-W273 VanDerWaalsContact CE-CA 3.49Å; M188-W273 HydrophobicContact CE-CB 3.54Å; H190-W273 HydrophobicContact CB-CD2 4.13Å; H190-W273 HydrophobicContact CB-CG 4.28Å; H190-W273 HydrophobicContact CB-CZ2 3.98Å; H190-W273 AromaticContact CG-CE2 3.7Å; H190-W273 AromaticContact CG-CZ2 3.69Å; H190-W273 AromaticContact ND1-CZ2 3.8Å; L200-W273 HydrophobicContact CD2-CB 4.01Å; L200-W273 HydrophobicContact CD2-CD2 4.47Å; L200-W273 HydrophobicContact CD2-CG 4.1Å; E253-W273 HydrophobicContact CB-CD2 4.49Å; E253-W273 HydrophobicContact CB-CE3 3.51Å; E253-W273 HydrophobicContact CB-CZ3 4.05Å; E253-W273 HydrophobicContact CG-CE3 3.63Å; E253-W273 HydrophobicContact CG-CZ3 3.78Å; Q254-W273 PolarHBondContact NE2-O 3.16Å

Retrieved 273 of 273 residues in 96.8 ms (Link to these results)

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