A0A076V5S4_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A076V5S4, 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
1S94.3Very high98.2Very high100 Ų10036.7 Ų36.770%0.69920%0.203SC*.  0163.1039.90000107.6V102S1-V102 WeakPolarHBondContact CA-O 3.47Å; S1-V102 VanDerWaalsContact CB-O 3.26Å; S1-V102 WeakPolarHBondContact CB-O 3.35Å
2H97.8Very high98.2Very high34 Ų3435 Ų3516%0.15720%0.196CC..EExtended strand (participates in β ladder)trans-137.4159179.2-64.5-78.1000111.3D28 D101 V102 L171H2-D28 VanDerWaalsContact CA-OD1 3.22Å; H2-D28 WeakPolarHBondContact CA-OD1 3.48Å; H2-D28 IonicContact CE1-OD2 3.43Å; H2-D28 IonicContact CG-OD2 3.55Å; H2-D28 IonicContact ND1-OD1 2.75Å; H2-D28 IonicContact ND1-OD2 3.23Å; H2-D28 PolarHBondContact ND1-OD2 2.88Å; H2-D101 WeakPolarHBondContact O-CA 3.35Å; H2-V102 HydrophobicContact CB-CG2 4.08Å; H2-V102 PolarHBondContact N-O 2.9Å; H2-V102 PolarHBondContact O-N 3.46Å; H2-L171 HydrophobicContact CB-CD1 3.42Å; H2-L171 VanDerWaalsContact CB-CD1 3.42Å; H2-L171 HydrophobicContact CB-CD2 4.22Å; H2-L171 HydrophobicContact CB-CG 4.47Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.34Å
3S98.4Very high98.1Very high23 Ų2338 Ų3816%0.16120%0.202CC..EExtended strand (participates in β ladder)trans-134.3149.6178.666.50000111.7V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.57Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.33Å; S3-D28 PolarHBondContact N-OD1 3.3Å; S3-D28 PolarHBondContact O-N 3.15Å; S3-D28 PolarHBondContact OG-OD1 2.88Å; S3-C100 WeakPolarHBondContact CA-O 3.43Å; S3-D101 WeakPolarHBondContact CB-OD1 3.2Å
4M98.8Very high97.8Very high1 Ų139.4 Ų39.41%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-121128165.2-170.6169.157.500108.5Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.39Å; M4-Y6 HydrophobicContact CG-CE2 4.35Å; M4-Y6 HydrophobicContact SD-CE2 4.23Å; M4-Y26 CarbonylContact C-O 3.57Å; M4-Y26 WeakPolarHBondContact CA-O 3.44Å; M4-V27 HydrophobicContact CG-CG2 4.4Å; M4-F32 HydrophobicContact CG-CE1 4.46Å; M4-F32 HydrophobicContact SD-CZ 4.41Å; M4-G99 CarbonylContact O-C 3.58Å; M4-G99 WeakPolarHBondContact O-CA 3.19Å; M4-C100 PolarHBondContact N-O 3.04Å; M4-C100 PolarHBondContact O-N 3.23Å; M4-C163 HydrophobicContact CE-CB 4.13Å; M4-C163 WeakPolarHBondContact CE-O 3.07Å; M4-C163 WeakPolarHBondContact CE-SG 3.21Å; M4-W166 HydrophobicContact CE-CB 4.14Å; M4-W166 HydrophobicContact SD-CB 4.48Å; M4-L167 HydrophobicContact CB-CB 4.14Å; M4-L167 HydrophobicContact CB-CD1 3.98Å; M4-L167 HydrophobicContact CB-CD2 4.13Å; M4-L167 HydrophobicContact CB-CG 4.3Å; M4-L167 HydrophobicContact CE-CB 4.44Å; M4-Y170 HydrophobicContact SD-CD2 3.76Å; M4-Y170 HydrophobicContact SD-CE2 3.52Å; M4-Y170 VanDerWaalsContact SD-CE2 3.52Å
5R98.8Very high97.6Very high47 Ų4742.8 Ų42.818%0.17726%0.262CS..EExtended strand (participates in β ladder)trans-133.9138.5-179.1-58.6-64.3177.678.75.1111.2F7 G25 Y26 Y98 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.32Å; R5-F7 HydrophobicContact CB-CE2 3.51Å; R5-F7 HydrophobicContact CB-CZ 3.78Å; R5-F7 HydrophobicContact CG-CE2 4.5Å; R5-F7 HydrophobicContact CG-CZ 4.37Å; R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.47Å; R5-Y26 PolarHBondContact N-O 3.22Å; R5-Y26 PolarHBondContact O-N 3.06Å; R5-Y98 WeakPolarHBondContact CA-O 3.46Å; R5-D101 IonicContact CZ-OD1 2.8Å; R5-D101 IonicContact NE-OD1 3.38Å; R5-D101 PolarHBondContact NE-OD1 2.88Å; R5-D101 IonicContact NH2-OD1 3.49Å; R5-D101 PolarHBondContact NH2-OD1 2.84Å; R5-D101 IonicContact NH2-OD2 3.55Å; R5-D101 PolarHBondContact NH2-OD2 3.18Å; R5-Y112 VanDerWaalsContact NH2-CZ 3.35Å
6Y98.9Very high97.4Very high11 Ų1153 Ų534%0.04330%0.295CS..EExtended strand (participates in β ladder)trans-111.8135.1166.7-71.7-87.9000109.5M4 F8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.39Å; M4-Y6 HydrophobicContact CG-CE2 4.35Å; M4-Y6 HydrophobicContact SD-CE2 4.23Å; Y6-F8 HydrophobicContact CD1-CE1 4.25Å; Y6-F8 HydrophobicContact CG-CE1 4.44Å; Y6-V24 WeakPolarHBondContact CA-O 3.46Å; Y6-F32 HydrophobicContact CE1-CZ 4.11Å; Y6-F32 AromaticContact CZ-CZ 3.82Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.42Å; Y6-V33 HydrophobicContact CE1-CG2 4.04Å; Y6-M97 WeakPolarHBondContact O-CA 3.33Å; Y6-Y98 AromaticContact CD2-CE2 3.7Å; Y6-Y98 HydrophobicContact CD2-CE2 3.7Å; Y6-Y98 AromaticContact CD2-CZ 3.77Å; Y6-Y98 HydrophobicContact CG-CE1 4.3Å; Y6-Y98 HydrophobicContact CG-CE2 4.19Å; Y6-Y98 AromaticContact CG-CZ 3.77Å; Y6-Y98 PolarHBondContact N-O 3.41Å; Y6-Y98 PolarHBondContact O-N 3.09Å; Y6-Y98 VanDerWaalsContact O-N 3.16Å
7F98.9Very high97.2Very high84 Ų8453.4 Ų53.437%0.36831%0.313SS..EExtended strand (participates in β ladder)trans-121.4117.3177.9-56.7-94.6000109.2R5 A23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CD2 4.32Å; R5-F7 HydrophobicContact CB-CE2 3.51Å; R5-F7 HydrophobicContact CB-CZ 3.78Å; R5-F7 HydrophobicContact CG-CE2 4.5Å; R5-F7 HydrophobicContact CG-CZ 4.37Å; F7-A23 WeakPolarHBondContact O-CA 3.19Å; F7-V24 HydrophobicContact CB-CG2 3.84Å; F7-V24 HydrophobicContact CD2-CG2 4.26Å; F7-V24 HydrophobicContact CG-CG2 4.49Å; F7-V24 PolarHBondContact N-O 3.36Å; F7-V24 PolarHBondContact O-N 2.91Å; F7-Y26 HydrophobicContact CD2-CD2 4.01Å; F7-Y26 AromaticContact CE2-CD2 3.99Å; F7-Y26 HydrophobicContact CE2-CD2 3.99Å; F7-Y26 HydrophobicContact CE2-CG 4.49Å; F7-R96 WeakPolarHBondContact CA-O 3.5Å; F7-M97 HydrophobicContact CD1-CB 4.03Å; F7-M97 HydrophobicContact CD1-CG 3.68Å; F7-M97 HydrophobicContact CE1-CB 4.22Å; F7-M97 HydrophobicContact CE1-CG 3.45Å; F7-M97 VanDerWaalsContact CE1-CG 3.45Å; F7-M97 HydrophobicContact CZ-CG 4.14Å
8F98.8Very high97Very high6 Ų655.4 Ų55.43%0.02632%0.319CS..EExtended strand (participates in β ladder)trans-110.5136177.4-57.5-14.5000109.3Y6 F21 I22 A23 H69 H73 Q95 R96 Y98Y6-F8 HydrophobicContact CD1-CE1 4.25Å; Y6-F8 HydrophobicContact CG-CE1 4.44Å; F8-F21 HydrophobicContact CB-CE2 3.94Å; F8-F21 HydrophobicContact CB-CZ 3.81Å; F8-F21 HydrophobicContact CD1-CZ 4.21Å; F8-F21 HydrophobicContact CD2-CE2 4.35Å; F8-F21 AromaticContact CD2-CZ 3.85Å; F8-F21 HydrophobicContact CD2-CZ 3.85Å; F8-F21 HydrophobicContact CE2-CZ 4.45Å; F8-F21 HydrophobicContact CG-CE2 4.27Å; F8-F21 AromaticContact CG-CZ 3.71Å; F8-F21 HydrophobicContact CG-CZ 3.71Å; F8-I22 CarbonylContact C-O 3.53Å; F8-I22 WeakPolarHBondContact CA-O 3.42Å; F8-A23 HydrophobicContact CD1-CB 3.32Å; F8-A23 HydrophobicContact CE1-CB 3.49Å; F8-A23 VanDerWaalsContact CE1-CB 3.49Å; F8-A23 HydrophobicContact CG-CB 4.29Å; F8-H69 HydrophobicContact CD2-CB 4.45Å; F8-H69 HydrophobicContact CE2-CB 4.11Å; F8-H69 AromaticContact CE2-CD2 3.61Å; F8-H69 AromaticContact CE2-CG 3.79Å; F8-H73 AromaticContact CD2-NE2 3.94Å; F8-Q95 CarbonylContact O-C 3.6Å; F8-Q95 VanDerWaalsContact O-CA 3.27Å; F8-Q95 WeakPolarHBondContact O-CA 3.41Å; F8-R96 HydrophobicContact CB-CB 4.26Å; F8-R96 PolarHBondContact N-O 3.32Å; F8-R96 PolarHBondContact O-N 2.81Å; F8-Y98 HydrophobicContact CD2-CE1 4.25Å; F8-Y98 HydrophobicContact CE1-CE1 4.16Å; F8-Y98 AromaticContact CE2-CE1 3.58Å; F8-Y98 HydrophobicContact CE2-CE1 3.58Å; F8-Y98 AromaticContact CZ-CE1 3.53Å; F8-Y98 HydrophobicContact CZ-CE1 3.53Å; F8-Y98 AromaticContact CZ-CZ 3.88Å; F8-Y98 VanDerWaalsContact CZ-OH 3.3Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.35Å
9T98.8Very high97Very high45 Ų4553.7 Ų53.728%0.27631%0.31SS..EExtended strand (participates in β ladder)trans-131.1124.9174.5-57.30000108.7V11 F21 I22 T93 Q95T9-V11 HydrophobicContact CG2-CG2 3.99Å; T9-F21 WeakPolarHBondContact O-CA 3.44Å; T9-I22 PolarHBondContact N-O 3.38Å; T9-I22 PolarHBondContact O-N 2.85Å; T9-T93 HydrophobicContact CG2-CG2 4.05Å; T9-Q95 HydrophobicContact CG2-CG 4.13Å
10S98.7Very high97.1Very high1 Ų155.6 Ų55.61%0.00731%0.312CS..EExtended strand (participates in β ladder)trans-118.6126.1171.9-166.80000110R20 L77 T93 V94S10-R20 CarbonylContact C-O 3.6Å; S10-R20 VanDerWaalsContact CA-O 3.25Å; S10-R20 WeakPolarHBondContact CA-O 3.49Å; S10-L77 WeakPolarHBondContact OG-CD1 3.48Å; S10-T93 CarbonylContact O-C 3.58Å; S10-T93 VanDerWaalsContact O-CA 3.31Å; S10-T93 WeakPolarHBondContact O-CA 3.41Å; S10-V94 PolarHBondContact N-O 3.33Å; S10-V94 PolarHBondContact O-N 3.26Å
11V98.6Very high97.2Very high52 Ų5252.9 Ų52.932%0.31530%0.297SS..EExtended strand (participates in β ladder)trans-120.8114.1-178.6-173.90000108.9T9 P19 R20 T93T9-V11 HydrophobicContact CG2-CG2 3.99Å; V11-P19 CarbonylContact O-C 3.52Å; V11-P19 WeakPolarHBondContact O-CA 3.49Å; V11-R20 PolarHBondContact N-O 3.49Å; V11-R20 PolarHBondContact O-N 3.14Å; V11-T93 HydrophobicContact CG2-CG2 4.21Å
12S98.1Very high97.4Very high16 Ų1650.5 Ų50.511%0.11228%0.275CS..  trans-71.1144.9173.254.70000110.9S91 H92S12-S91 WeakPolarHBondContact O-CB 3.33Å; S12-S91 PolarHBondContact O-OG 2.85Å; S12-H92 PolarHBondContact N-O 2.94Å; S12-H92 WeakPolarHBondContact OG-CA 3.27Å; S12-H92 PolarHBondContact OG-N 3.38Å; S12-H92 PolarHBondContact OG-O 2.97Å
13R96.8Very high97.4Very high74 Ų7448.9 Ų48.928%0.27927%0.268SS..  trans-13973-176.752174.7174.3-160.9-8.1111G15 R16 E18 D38R13-G15 PolarHBondContact O-N 2.79Å; R13-R16 HydrophobicContact CB-CB 4.12Å; R13-R16 WeakPolarHBondContact CD-O 3.42Å; R13-R16 HydrophobicContact CG-CB 4.15Å; R13-R16 PolarHBondContact NE-O 2.95Å; R13-R16 WeakPolarHBondContact O-CA 3.48Å; R13-R16 PolarHBondContact O-N 3.03Å; R13-E18 PolarHBondContact NE-O 2.77Å; R13-E18 PolarHBondContact NH2-O 2.71Å; R13-E18 VanDerWaalsContact NH2-O 3.08Å; R13-D38 IonicContact CZ-OD1 2.99Å; R13-D38 IonicContact CZ-OD2 3.31Å; R13-D38 IonicContact NH1-OD1 2.73Å; R13-D38 IonicContact NH1-OD2 2.71Å; R13-D38 PolarHBondContact NH1-OD2 2.82Å; R13-D38 IonicContact NH2-OD1 2.69Å; R13-D38 PolarHBondContact NH2-OD1 2.96Å; R13-D38 IonicContact NH2-OD2 3.33Å
14P94.4Very high97.5Very high57 Ų5749.1 Ų49.137%0.3727%0.269SS..THydrogen-bonded Turntrans-49.1132.1-177.2-2734.9000112.4R16 E88 G90P14-R16 PolarHBondContact O-N 2.91Å; P14-E88 WeakPolarHBondContact CB-O 3.44Å; P14-E88 WeakPolarHBondContact CG-O 3.43Å; P14-G90 VanDerWaalsContact CG-O 3.25Å; P14-G90 WeakPolarHBondContact CG-O 3.47Å
15G93.8Very high97.5Very high91 Ų9149.1 Ų49.194%0.93827%0.269SS*.THydrogen-bonded Turntrans75.21.1-176.800000115.8R13R13-G15 PolarHBondContact O-N 2.79Å
16R94.9Very high97.5Very high206 Ų20650.2 Ų50.278%0.77727%0.273SS*.SBendtrans-125.226179.5-58.5-174.6179.7-177.90.2113.4R13 P14R13-R16 HydrophobicContact CB-CB 4.12Å; R13-R16 WeakPolarHBondContact CD-O 3.42Å; R13-R16 HydrophobicContact CG-CB 4.15Å; R13-R16 PolarHBondContact NE-O 2.95Å; R13-R16 WeakPolarHBondContact O-CA 3.48Å; R13-R16 PolarHBondContact O-N 3.03Å; P14-R16 PolarHBondContact O-N 2.91Å
17G93.1Very high97.5Very high59 Ų5949.7 Ų49.761%0.60827%0.271SS*.SBendtrans91.5-162.7179.600000113.8
18E94.8Very high97.4Very high91 Ų9147.3 Ų47.343%0.42526%0.262SS..SBendtrans-69.4155.4-177-64.8-58.8162.400112.9R13 R20 R74R13-E18 PolarHBondContact NE-O 2.77Å; R13-E18 PolarHBondContact NH2-O 2.71Å; R13-E18 VanDerWaalsContact NH2-O 3.08Å; E18-R20 PolarHBondContact O-N 2.97Å; E18-R74 IonicContact OE1-CZ 3.03Å; E18-R74 IonicContact OE1-NH1 3.52Å; E18-R74 PolarHBondContact OE1-NH1 3.45Å; E18-R74 VanDerWaalsContact OE1-NH1 3.15Å; E18-R74 IonicContact OE1-NH2 3.89Å; E18-R74 PolarHBondContact OE1-NH2 2.8Å; E18-R74 WeakPolarHBondContact OE2-CD 3.41Å; E18-R74 IonicContact OE2-CZ 3.06Å; E18-R74 IonicContact OE2-NE 3.97Å; E18-R74 PolarHBondContact OE2-NE 2.81Å; E18-R74 IonicContact OE2-NH1 2.68Å; E18-R74 PolarHBondContact OE2-NH1 2.6Å; E18-R74 IonicContact OE2-NH2 2.83Å; E18-R74 PolarHBondContact OE2-NH2 2.9Å
19P97.5Very high97.4Very high22 Ų2250.1 Ų50.114%0.14328%0.277CS..PPolyproline II helixtrans-51.7133.1173.8-25.534.4000112V11 R74 L77V11-P19 CarbonylContact O-C 3.52Å; V11-P19 WeakPolarHBondContact O-CA 3.49Å; P19-R74 HydrophobicContact CG-CG 4.29Å; P19-L77 HydrophobicContact CB-CD1 3.57Å; P19-L77 HydrophobicContact CG-CD1 3.67Å
20R98.4Very high97.3Very high91 Ų9149.3 Ų49.334%0.34327%0.272SS..EExtended strand (participates in β ladder)trans-75.4131172.7-176-179.6-177-178.2-0.2108.5S10 V11 E18 I22 D36 S37 D38S10-R20 CarbonylContact C-O 3.6Å; S10-R20 VanDerWaalsContact CA-O 3.25Å; S10-R20 WeakPolarHBondContact CA-O 3.49Å; V11-R20 PolarHBondContact N-O 3.49Å; V11-R20 PolarHBondContact O-N 3.14Å; E18-R20 PolarHBondContact O-N 2.97Å; R20-I22 HydrophobicContact CG-CG1 4.34Å; R20-D36 IonicContact CZ-OD1 3.53Å; R20-D36 IonicContact CZ-OD2 3.55Å; R20-D36 IonicContact NE-OD1 3.51Å; R20-D36 PolarHBondContact NE-OD1 2.94Å; R20-D36 IonicContact NE-OD2 3.64Å; R20-D36 IonicContact NH2-OD1 3.65Å; R20-D36 PolarHBondContact NH2-OD1 2.98Å; R20-D36 IonicContact NH2-OD2 3.61Å; R20-D36 PolarHBondContact NH2-OD2 3.16Å; R20-S37 WeakPolarHBondContact CA-OG 3.44Å; R20-D38 VanDerWaalsContact CD-OD2 3.29Å; R20-D38 WeakPolarHBondContact CD-OD2 3.42Å; R20-D38 HydrophobicContact CG-CB 4.44Å; R20-D38 IonicContact NE-OD2 3.71Å
21F98.7Very high97.3Very high0 Ų051.8 Ų51.80%028%0.284CS..EExtended strand (participates in β ladder)trans-116.8126.1177.4-179.2-85.3000110F8 T9 A23 F35 S37 V66 H69 S70 H73F8-F21 HydrophobicContact CB-CE2 3.94Å; F8-F21 HydrophobicContact CB-CZ 3.81Å; F8-F21 HydrophobicContact CD1-CZ 4.21Å; F8-F21 HydrophobicContact CD2-CE2 4.35Å; F8-F21 AromaticContact CD2-CZ 3.85Å; F8-F21 HydrophobicContact CD2-CZ 3.85Å; F8-F21 HydrophobicContact CE2-CZ 4.45Å; F8-F21 HydrophobicContact CG-CE2 4.27Å; F8-F21 AromaticContact CG-CZ 3.71Å; F8-F21 HydrophobicContact CG-CZ 3.71Å; T9-F21 WeakPolarHBondContact O-CA 3.44Å; F21-A23 HydrophobicContact CE1-CB 3.71Å; F21-A23 HydrophobicContact CZ-CB 4.22Å; F21-F35 AromaticContact CD1-CD1 3.84Å; F21-F35 HydrophobicContact CD1-CD1 3.84Å; F21-F35 AromaticContact CD1-CE1 3.92Å; F21-F35 HydrophobicContact CD1-CE1 3.92Å; F21-F35 HydrophobicContact CE1-CD1 4.21Å; F21-S37 PolarHBondContact N-OG 3.08Å; F21-S37 PolarHBondContact O-N 2.88Å; F21-S37 PolarHBondContact O-OG 3.03Å; F21-V66 HydrophobicContact CD1-CG2 4.43Å; F21-V66 HydrophobicContact CE1-CG2 3.54Å; F21-V66 HydrophobicContact CZ-CG2 4.3Å; F21-H69 HydrophobicContact CE2-CB 4.47Å; F21-H69 HydrophobicContact CZ-CB 4.05Å; F21-S70 WeakPolarHBondContact CB-OG 3.37Å; F21-H73 HydrophobicContact CD2-CB 4.07Å; F21-H73 HydrophobicContact CE2-CB 4.18Å; F21-H73 AromaticContact CE2-CD2 3.95Å; F21-H73 AromaticContact CE2-CE1 3.99Å; F21-H73 AromaticContact CE2-CG 3.72Å; F21-H73 AromaticContact CE2-ND1 3.75Å
22I98.8Very high97.3Very high49 Ų4949.3 Ų49.325%0.25127%0.269SS..EExtended strand (participates in β ladder)trans-122.4133.3176-57.8174.1000107.9F8 T9 R20 V24 F35F8-I22 CarbonylContact C-O 3.53Å; F8-I22 WeakPolarHBondContact CA-O 3.42Å; T9-I22 PolarHBondContact N-O 3.38Å; T9-I22 PolarHBondContact O-N 2.85Å; R20-I22 HydrophobicContact CG-CG1 4.34Å; I22-V24 HydrophobicContact CG2-CG1 4.42Å; I22-F35 WeakPolarHBondContact CA-O 3.34Å
23A98.8Very high97.3Very high1 Ų148.7 Ų48.71%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-126.2138.5170.900000110.2F7 F8 F21 R34 F35 V66F7-A23 WeakPolarHBondContact O-CA 3.19Å; F8-A23 HydrophobicContact CD1-CB 3.32Å; F8-A23 HydrophobicContact CE1-CB 3.49Å; F8-A23 VanDerWaalsContact CE1-CB 3.49Å; F8-A23 HydrophobicContact CG-CB 4.29Å; F21-A23 HydrophobicContact CE1-CB 3.71Å; F21-A23 HydrophobicContact CZ-CB 4.22Å; A23-R34 CarbonylContact O-C 3.58Å; A23-R34 VanDerWaalsContact O-CA 3.32Å; A23-R34 WeakPolarHBondContact O-CA 3.3Å; A23-F35 HydrophobicContact CB-CB 4.32Å; A23-F35 PolarHBondContact N-O 2.88Å; A23-F35 PolarHBondContact O-N 3.45Å; A23-V66 HydrophobicContact CB-CG2 3.62Å
24V98.9Very high97.4Very high28 Ų2849.3 Ų49.317%0.1727%0.267CS..EExtended strand (participates in β ladder)trans-133.9144.6173.2-62.60000109.8Y6 F7 I22 Y26 V33 R34Y6-V24 WeakPolarHBondContact CA-O 3.46Å; F7-V24 HydrophobicContact CB-CG2 3.84Å; F7-V24 HydrophobicContact CD2-CG2 4.26Å; F7-V24 HydrophobicContact CG-CG2 4.49Å; F7-V24 PolarHBondContact N-O 3.36Å; F7-V24 PolarHBondContact O-N 2.91Å; I22-V24 HydrophobicContact CG2-CG1 4.42Å; V24-Y26 HydrophobicContact CB-CE2 4.09Å; V24-Y26 HydrophobicContact CG2-CD2 4.29Å; V24-Y26 HydrophobicContact CG2-CE2 3.78Å; V24-V33 WeakPolarHBondContact CA-O 3.35Å; V24-R34 HydrophobicContact CG1-CB 4.45Å; V24-R34 HydrophobicContact CG1-CG 4.24Å
25G98.8Very high97.6Very high0 Ų046.7 Ų46.70%025%0.25CC..EExtended strand (participates in β ladder)trans-118.4138.5176.200000110.6R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.47Å; G25-Q31 WeakPolarHBondContact O-CA 3.35Å; G25-F32 WeakPolarHBondContact O-CD1 3.35Å; G25-F32 PolarHBondContact O-N 2.82Å; G25-V33 PolarHBondContact N-O 2.9Å; G25-V33 VanDerWaalsContact N-O 3.11Å
26Y98.8Very high97.9Very high71 Ų7143.1 Ų43.128%0.27821%0.209SC..EExtended strand (participates in β ladder)trans-125.9141.6178.4-77.2-101.9000110.9M4 R5 F7 V24 T30 Q31 F32M4-Y26 CarbonylContact C-O 3.57Å; M4-Y26 WeakPolarHBondContact CA-O 3.44Å; R5-Y26 PolarHBondContact N-O 3.22Å; R5-Y26 PolarHBondContact O-N 3.06Å; F7-Y26 HydrophobicContact CD2-CD2 4.01Å; F7-Y26 AromaticContact CE2-CD2 3.99Å; F7-Y26 HydrophobicContact CE2-CD2 3.99Å; F7-Y26 HydrophobicContact CE2-CG 4.49Å; V24-Y26 HydrophobicContact CB-CE2 4.09Å; V24-Y26 HydrophobicContact CG2-CD2 4.29Å; V24-Y26 HydrophobicContact CG2-CE2 3.78Å; Y26-T30 WeakPolarHBondContact CA-O 3.19Å; Y26-Q31 HydrophobicContact CD1-CB 4.09Å; Y26-Q31 HydrophobicContact CD2-CG 4.42Å; Y26-Q31 HydrophobicContact CE1-CB 3.59Å; Y26-Q31 HydrophobicContact CE1-CG 4.34Å; Y26-Q31 HydrophobicContact CE2-CB 4.09Å; Y26-Q31 HydrophobicContact CE2-CG 3.92Å; Y26-F32 VanDerWaalsContact N-CE1 3.35Å
27V98.6Very high98Very high0 Ų034 Ų340%018%0.177CC..EExtended strand (participates in β ladder)trans-110.3117.9156.1177.10000106S3 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 3.33Å; M4-V27 HydrophobicContact CG-CG2 4.4Å; V27-D29 PolarHBondContact O-N 2.9Å; V27-T30 PolarHBondContact N-O 2.98Å; V27-T30 WeakPolarHBondContact O-CB 3.39Å; V27-T30 PolarHBondContact O-N 3.16Å; V27-F32 HydrophobicContact CG2-CD1 4.04Å; V27-F32 HydrophobicContact CG2-CE1 4.09Å; V27-W50 HydrophobicContact CG2-CH2 3.93Å; V27-W50 HydrophobicContact CG2-CZ2 4.43Å; V27-L167 HydrophobicContact CB-CD1 4.49Å; V27-L167 HydrophobicContact CG1-CD1 3.62Å; V27-L167 HydrophobicContact CG2-CD1 4.16Å; V27-Y170 HydrophobicContact CG2-CD2 3.94Å; V27-Y170 HydrophobicContact CG2-CG 4.5Å; V27-L171 HydrophobicContact CG1-CD2 4.01Å; V27-L171 HydrophobicContact CG1-CG 4.27Å; V27-L178 HydrophobicContact CB-CD1 4.27Å; V27-L178 HydrophobicContact CB-CD2 4.06Å; V27-L178 HydrophobicContact CG1-CD1 3.93Å; V27-L178 HydrophobicContact CG1-CD2 4.05Å; V27-L178 HydrophobicContact CG1-CG 4.48Å
28D97.8Very high98.2Very high34 Ų3434.7 Ų34.718%0.18217%0.167CC..THydrogen-bonded Turntrans48.6-124.7-166.8-52.4-41.7000111.1H2 S3 T30H2-D28 VanDerWaalsContact CA-OD1 3.22Å; H2-D28 WeakPolarHBondContact CA-OD1 3.48Å; H2-D28 IonicContact CE1-OD2 3.43Å; H2-D28 IonicContact CG-OD2 3.55Å; H2-D28 IonicContact ND1-OD1 2.75Å; H2-D28 IonicContact ND1-OD2 3.23Å; H2-D28 PolarHBondContact ND1-OD2 2.88Å; S3-D28 PolarHBondContact N-OD1 3.3Å; S3-D28 PolarHBondContact O-N 3.15Å; S3-D28 PolarHBondContact OG-OD1 2.88Å; D28-T30 VanDerWaalsContact C-N 3.32Å
29D97.7Very high98.3Very high64 Ų6431.9 Ų31.934%0.34216%0.159SC..THydrogen-bonded Turntrans-91.18.2179.2-65.6-48.9000113.4V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 2.9Å; D29-Y208 HydrophobicContact CB-CE2 3.81Å; D29-P209 VanDerWaalsContact OD2-CB 3.22Å; D29-P209 WeakPolarHBondContact OD2-CB 3.26Å; D29-A210 WeakPolarHBondContact OD2-CB 3.42Å; D29-A210 PolarHBondContact OD2-N 2.91Å; D29-F240 HydrophobicContact CB-CE2 3.8Å; D29-F240 HydrophobicContact CB-CZ 3.77Å
30T98.1Very high98.2Very high28 Ų2836.3 Ų36.317%0.17220%0.198CC..EExtended strand (participates in β ladder)trans-104.9113.5-176.8-610000111.7Y26 V27 D28 F32 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.19Å; V27-T30 PolarHBondContact N-O 2.98Å; V27-T30 WeakPolarHBondContact O-CB 3.39Å; V27-T30 PolarHBondContact O-N 3.16Å; D28-T30 VanDerWaalsContact C-N 3.32Å; T30-F32 PolarHBondContact O-N 3Å; T30-L178 HydrophobicContact CG2-CD2 3.93Å; T30-Y208 PolarHBondContact OG1-OH 3.31Å
31Q98.4Very high97.9Very high54 Ų5435 Ų3525%0.25220%0.203SC..EExtended strand (participates in β ladder)trans-69.1130.4172.4-168.4-179.54.100110.4G25 Y26 V33 R47G25-Q31 WeakPolarHBondContact O-CA 3.35Å; Y26-Q31 HydrophobicContact CD1-CB 4.09Å; Y26-Q31 HydrophobicContact CD2-CG 4.42Å; Y26-Q31 HydrophobicContact CE1-CB 3.59Å; Y26-Q31 HydrophobicContact CE1-CG 4.34Å; Y26-Q31 HydrophobicContact CE2-CB 4.09Å; Y26-Q31 HydrophobicContact CE2-CG 3.92Å; Q31-V33 PolarHBondContact NE2-O 3.34Å; Q31-R47 HydrophobicContact CG-CB 4.15Å; Q31-R47 HydrophobicContact CG-CG 4.37Å
32F98.6Very high97.8Very high0 Ų038.9 Ų38.90%022%0.221CC..EExtended strand (participates in β ladder)trans-120.3-22.4-179.674.2-84.8000114.6M4 Y6 G25 Y26 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.46Å; M4-F32 HydrophobicContact SD-CZ 4.41Å; Y6-F32 HydrophobicContact CE1-CZ 4.11Å; Y6-F32 AromaticContact CZ-CZ 3.82Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.42Å; G25-F32 WeakPolarHBondContact O-CD1 3.35Å; G25-F32 PolarHBondContact O-N 2.82Å; Y26-F32 VanDerWaalsContact N-CE1 3.35Å; V27-F32 HydrophobicContact CG2-CD1 4.04Å; V27-F32 HydrophobicContact CG2-CE1 4.09Å; T30-F32 PolarHBondContact O-N 3Å; F32-R47 PolarHBondContact O-N 2.83Å; F32-A48 HydrophobicContact CB-CB 4.09Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.32Å; F32-W50 HydrophobicContact CB-CZ3 3.97Å; F32-W50 AromaticContact CD1-CH2 3.99Å; F32-W50 HydrophobicContact CD1-CH2 3.99Å; F32-W50 AromaticContact CD2-CH2 3.79Å; F32-W50 HydrophobicContact CD2-CH2 3.79Å; F32-W50 HydrophobicContact CD2-CZ3 4.1Å; F32-W50 AromaticContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CZ2 4.06Å; F32-W50 HydrophobicContact CG-CZ3 4.15Å; F32-I51 HydrophobicContact CD2-CB 4.46Å; F32-I51 HydrophobicContact CD2-CD1 4.03Å; F32-I51 HydrophobicContact CD2-CG1 4.06Å; F32-I51 HydrophobicContact CE2-CD1 4.38Å; F32-I51 VanDerWaalsContact O-CG2 3.31Å; F32-I51 WeakPolarHBondContact O-CG2 3.13Å; F32-Y170 HydrophobicContact CE2-CD2 4.44Å; F32-Y170 AromaticContact CE2-CE2 3.78Å; F32-Y170 HydrophobicContact CE2-CE2 3.78Å; F32-Y170 HydrophobicContact CZ-CD2 4.43Å; F32-Y170 AromaticContact CZ-CE2 3.87Å; F32-Y170 HydrophobicContact CZ-CE2 3.87Å
33V98.7Very high97.7Very high2 Ų243.9 Ų43.91%0.01224%0.236CC..EExtended strand (participates in β ladder)trans-140.8155.1176.4-72.20000113Y6 V24 G25 Q31 M44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 4.04Å; V24-V33 WeakPolarHBondContact CA-O 3.35Å; G25-V33 PolarHBondContact N-O 2.9Å; G25-V33 VanDerWaalsContact N-O 3.11Å; Q31-V33 PolarHBondContact NE2-O 3.34Å; V33-M44 HydrophobicContact CB-CG 4.05Å; V33-M44 HydrophobicContact CB-SD 3.73Å; V33-M44 HydrophobicContact CG1-CG 4.12Å; V33-M44 HydrophobicContact CG1-SD 4.44Å; V33-M44 HydrophobicContact CG2-SD 4.08Å; V33-E45 VanDerWaalsContact CA-O 3.3Å; V33-E45 WeakPolarHBondContact CA-O 3.39Å; V33-I51 HydrophobicContact CG1-CG1 4.4Å; V33-W59 HydrophobicContact CG1-CH2 4.06Å; V33-W59 HydrophobicContact CG1-CZ3 3.87Å
34R98.6Very high97.7Very high87 Ų8744.4 Ų44.433%0.32824%0.238SC..EExtended strand (participates in β ladder)trans-143.8143.8172178.7174170.6169.3-2.8111.5A23 V24 D36 M44 E45 R47A23-R34 CarbonylContact O-C 3.58Å; A23-R34 VanDerWaalsContact O-CA 3.32Å; A23-R34 WeakPolarHBondContact O-CA 3.3Å; V24-R34 HydrophobicContact CG1-CB 4.45Å; V24-R34 HydrophobicContact CG1-CG 4.24Å; R34-D36 IonicContact NH2-OD2 3.71Å; R34-D36 PolarHBondContact NH2-OD2 2.68Å; R34-M44 VanDerWaalsContact C-SD 3.56Å; R34-E45 PolarHBondContact N-O 2.03Å; R34-E45 PolarHBondContact O-N 2.89Å; R34-R47 HydrophobicContact CB-CG 3.94Å
35F98.8Very high97.7Very high3 Ų345.7 Ų45.71%0.01324%0.243CC..EExtended strand (participates in β ladder)trans-130.4143.9163.5174.2-86.3000109.8F21 I22 A23 Q42 R43 M44 V66 K67F21-F35 AromaticContact CD1-CD1 3.84Å; F21-F35 HydrophobicContact CD1-CD1 3.84Å; F21-F35 AromaticContact CD1-CE1 3.92Å; F21-F35 HydrophobicContact CD1-CE1 3.92Å; F21-F35 HydrophobicContact CE1-CD1 4.21Å; I22-F35 WeakPolarHBondContact CA-O 3.34Å; A23-F35 HydrophobicContact CB-CB 4.32Å; A23-F35 PolarHBondContact N-O 2.88Å; A23-F35 PolarHBondContact O-N 3.45Å; F35-Q42 VanDerWaalsContact CE2-C 3.5Å; F35-Q42 HydrophobicContact CE2-CB 4.17Å; F35-Q42 WeakPolarHBondContact CE2-O 3.22Å; F35-Q42 HydrophobicContact CZ-CB 4.29Å; F35-R43 WeakPolarHBondContact CD2-O 3.35Å; F35-M44 HydrophobicContact CB-CE 4.21Å; F35-M44 HydrophobicContact CB-SD 3.94Å; F35-V66 HydrophobicContact CB-CG1 3.97Å; F35-V66 HydrophobicContact CB-CG2 3.85Å; F35-V66 HydrophobicContact CD1-CG1 4.04Å; F35-V66 HydrophobicContact CD1-CG2 3.84Å; F35-V66 HydrophobicContact CD2-CG1 3.28Å; F35-V66 HydrophobicContact CD2-CG2 4.45Å; F35-V66 HydrophobicContact CE1-CG1 4.38Å; F35-V66 HydrophobicContact CE2-CG1 3.66Å; F35-V66 HydrophobicContact CG-CB 4.33Å; F35-V66 HydrophobicContact CG-CG1 3.49Å; F35-V66 VanDerWaalsContact CG-CG1 3.49Å; F35-V66 HydrophobicContact CG-CG2 3.8Å; F35-V66 HydrophobicContact CZ-CG1 4.21Å; F35-K67 HydrophobicContact CE2-CG 4.13Å; F35-K67 HydrophobicContact CZ-CG 4.06Å
36D98.6Very high97.7Very high16 Ų1648 Ų489%0.08626%0.257CS..EExtended strand (participates in β ladder)trans-139.1121.1175.3-164.1-27.4000109.2R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.53Å; R20-D36 IonicContact CZ-OD2 3.55Å; R20-D36 IonicContact NE-OD1 3.51Å; R20-D36 PolarHBondContact NE-OD1 2.94Å; R20-D36 IonicContact NE-OD2 3.64Å; R20-D36 IonicContact NH2-OD1 3.65Å; R20-D36 PolarHBondContact NH2-OD1 2.98Å; R20-D36 IonicContact NH2-OD2 3.61Å; R20-D36 PolarHBondContact NH2-OD2 3.16Å; R34-D36 IonicContact NH2-OD2 3.71Å; R34-D36 PolarHBondContact NH2-OD2 2.68Å; D36-D38 PolarHBondContact O-N 2.91Å; D36-D38 PolarHBondContact OD1-N 3.31Å; D36-D38 VanDerWaalsContact OD1-N 3.13Å; D36-A39 HydrophobicContact CB-CB 4.19Å; D36-A39 WeakPolarHBondContact O-CB 3.36Å; D36-A39 PolarHBondContact O-N 2.84Å; D36-A39 VanDerWaalsContact O-N 3.12Å
37S98.1Very high97.6Very high15 Ų1550.1 Ų50.111%0.10527%0.265CS..THydrogen-bonded Turntrans-65.9-20.7-179.766.60000113.1R20 F21 A39 Q42R20-S37 WeakPolarHBondContact CA-OG 3.44Å; F21-S37 PolarHBondContact N-OG 3.08Å; F21-S37 PolarHBondContact O-N 2.88Å; F21-S37 PolarHBondContact O-OG 3.03Å; S37-A39 VanDerWaalsContact C-N 3.35Å; S37-Q42 PolarHBondContact O-NE2 2.96Å
38D97.6Very high97.6Very high73 Ų7350.3 Ų50.339%0.3927%0.267SS..THydrogen-bonded Turntrans-88.1-5.2178.1-74.86.3000112.3R13 R20 D36R13-D38 IonicContact CZ-OD1 2.99Å; R13-D38 IonicContact CZ-OD2 3.31Å; R13-D38 IonicContact NH1-OD1 2.73Å; R13-D38 IonicContact NH1-OD2 2.71Å; R13-D38 PolarHBondContact NH1-OD2 2.82Å; R13-D38 IonicContact NH2-OD1 2.69Å; R13-D38 PolarHBondContact NH2-OD1 2.96Å; R13-D38 IonicContact NH2-OD2 3.33Å; R20-D38 VanDerWaalsContact CD-OD2 3.29Å; R20-D38 WeakPolarHBondContact CD-OD2 3.42Å; R20-D38 HydrophobicContact CG-CB 4.44Å; R20-D38 IonicContact NE-OD2 3.71Å; D36-D38 PolarHBondContact O-N 2.91Å; D36-D38 PolarHBondContact OD1-N 3.31Å; D36-D38 VanDerWaalsContact OD1-N 3.13Å
39A96.9Very high97.5Very high31 Ų3153.5 Ų53.526%0.25629%0.289SS..SBendtrans-71.2147.2174.500000111.4D36 S37 S41 Q42D36-A39 HydrophobicContact CB-CB 4.19Å; D36-A39 WeakPolarHBondContact O-CB 3.36Å; D36-A39 PolarHBondContact O-N 2.84Å; D36-A39 VanDerWaalsContact O-N 3.12Å; S37-A39 VanDerWaalsContact C-N 3.35Å; A39-S41 VanDerWaalsContact C-N 3.35Å; A39-S41 PolarHBondContact O-N 2.92Å; A39-Q42 WeakPolarHBondContact O-CG 3.22Å; A39-Q42 PolarHBondContact O-N 3Å
40A95.6Very high97.5Very high116 Ų11651.2 Ų51.296%0.95928%0.276SS*.SBendtrans-62.2-37.3-177.400000113.8
41S91.5Very high97.5Very high64 Ų6449.9 Ų49.945%0.44827%0.268SS..SBendtrans-85.1-22.6-178.559.80000113.2A39 R43A39-S41 VanDerWaalsContact C-N 3.35Å; A39-S41 PolarHBondContact O-N 2.92Å; S41-R43 VanDerWaalsContact C-N 3.33Å; S41-R43 PolarHBondContact O-N 2.94Å
42Q96Very high97.5Very high81 Ų8153.3 Ų53.338%0.37928%0.284SS..  trans39.458.3-172.8-59.6-176.4-20.300112.4F35 S37 A39 K67F35-Q42 VanDerWaalsContact CE2-C 3.5Å; F35-Q42 HydrophobicContact CE2-CB 4.17Å; F35-Q42 WeakPolarHBondContact CE2-O 3.22Å; F35-Q42 HydrophobicContact CZ-CB 4.29Å; S37-Q42 PolarHBondContact O-NE2 2.96Å; A39-Q42 WeakPolarHBondContact O-CG 3.22Å; A39-Q42 PolarHBondContact O-N 3Å; Q42-K67 WeakPolarHBondContact O-CE 3.44Å; Q42-K67 PolarHBondContact O-NZ 2.9Å; Q42-K67 VanDerWaalsContact O-NZ 3.16Å
43R98Very high97.4Very high153 Ų15358.9 Ų58.958%0.57731%0.31SS*.  trans-121.4157.5177.1-74.6-177.6176.7-163.6-5.5110.8F35 S41 T63F35-R43 WeakPolarHBondContact CD2-O 3.35Å; S41-R43 VanDerWaalsContact C-N 3.33Å; S41-R43 PolarHBondContact O-N 2.94Å; R43-T63 HydrophobicContact CG-CG2 4.23Å
44M98.4Very high97.3Very high12 Ų1259.5 Ų59.56%0.05931%0.312CS..  trans-69.8126.8164.7-169.765.479.100108V33 R34 F35 W59 E62 T63 V66V33-M44 HydrophobicContact CB-CG 4.05Å; V33-M44 HydrophobicContact CB-SD 3.73Å; V33-M44 HydrophobicContact CG1-CG 4.12Å; V33-M44 HydrophobicContact CG1-SD 4.44Å; V33-M44 HydrophobicContact CG2-SD 4.08Å; R34-M44 VanDerWaalsContact C-SD 3.56Å; F35-M44 HydrophobicContact CB-CE 4.21Å; F35-M44 HydrophobicContact CB-SD 3.94Å; M44-W59 HydrophobicContact CB-CE3 4.27Å; M44-W59 HydrophobicContact CG-CE3 4.26Å; M44-W59 HydrophobicContact CG-CZ3 4.05Å; M44-E62 HydrophobicContact CB-CB 4.17Å; M44-E62 HydrophobicContact CE-CB 4.4Å; M44-E62 HydrophobicContact CG-CB 4.13Å; M44-T63 PolarHBondContact N-OG1 2.87Å; M44-V66 HydrophobicContact CE-CB 3.84Å; M44-V66 HydrophobicContact CE-CG1 4.05Å; M44-V66 HydrophobicContact CE-CG2 3.97Å
45E98.3Very high97.3Very high56 Ų5656.7 Ų56.726%0.26231%0.311SS..EExtended strand (participates in β ladder)trans-115.7140.5-174-64.9176.8165.600110.7V33 R34 R47V33-E45 VanDerWaalsContact CA-O 3.3Å; V33-E45 WeakPolarHBondContact CA-O 3.39Å; R34-E45 PolarHBondContact N-O 2.03Å; R34-E45 PolarHBondContact O-N 2.89Å; E45-R47 IonicContact OE2-CZ 3.44Å; E45-R47 IonicContact OE2-NH1 3.19Å; E45-R47 IonicContact OE2-NH2 3.07Å; E45-R47 PolarHBondContact OE2-NH2 2.97Å
46P98.4Very high97.2Very high47 Ų4760.6 Ų60.631%0.30534%0.337SS..EExtended strand (participates in β ladder)trans-67.2146.2173.228.7-34.2000111.3I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.73Å; P46-E52 HydrophobicContact CB-CG 3.83Å; P46-E52 HydrophobicContact CG-CG 4.14Å; P46-W59 HydrophobicContact CB-CH2 3.66Å; P46-W59 HydrophobicContact CB-CZ2 4.03Å; P46-W59 HydrophobicContact CG-CH2 4.28Å; P46-W59 HydrophobicContact CG-CZ2 4.46Å
47R98Very high97.2Very high116 Ų11667 Ų6744%0.43837%0.366SS..  trans-130.4-1.6174.1-61.9-64.3176.5-1366.5113.5Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.15Å; Q31-R47 HydrophobicContact CG-CG 4.37Å; F32-R47 PolarHBondContact O-N 2.83Å; R34-R47 HydrophobicContact CB-CG 3.94Å; E45-R47 IonicContact OE2-CZ 3.44Å; E45-R47 IonicContact OE2-NH1 3.19Å; E45-R47 IonicContact OE2-NH2 3.07Å; E45-R47 PolarHBondContact OE2-NH2 2.97Å
48A97.2Very high97.2Very high4 Ų467.1 Ų67.13%0.03336%0.364CS..SBendtrans-136.8144.6173.600000110.7F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.09Å; A48-W50 VanDerWaalsContact C-N 3.3Å; A48-W50 HydrophobicContact CB-CD2 4.2Å; A48-W50 HydrophobicContact CB-CG 4.4Å; A48-W50 HydrophobicContact CB-CZ2 4.01Å; A48-W50 PolarHBondContact O-N 3.31Å; A48-I51 WeakPolarHBondContact O-CG2 3.46Å; A48-I51 PolarHBondContact O-N 3.31Å
49P97.1Very high97.2Very high102 Ų10265.6 Ų65.666%0.66235%0.353SS*.G310 helixtrans-59.2-37.7-176.7-26.434.9000113.9I51 E52P49-I51 PolarHBondContact O-N 2.85Å; P49-E52 WeakPolarHBondContact O-CB 2.93Å; P49-E52 PolarHBondContact O-N 2.74Å; P49-E52 VanDerWaalsContact O-N 3.12Å
50W97.3Very high97.3Very high16 Ų1668.1 Ų68.16%0.06136%0.362CS..G310 helixtrans-70.3-13.8-175.253.4-105.7000114.5V27 F32 A48 Q53 Y170 T177 L178V27-W50 HydrophobicContact CG2-CH2 3.93Å; V27-W50 HydrophobicContact CG2-CZ2 4.43Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.32Å; F32-W50 HydrophobicContact CB-CZ3 3.97Å; F32-W50 AromaticContact CD1-CH2 3.99Å; F32-W50 HydrophobicContact CD1-CH2 3.99Å; F32-W50 AromaticContact CD2-CH2 3.79Å; F32-W50 HydrophobicContact CD2-CH2 3.79Å; F32-W50 HydrophobicContact CD2-CZ3 4.1Å; F32-W50 AromaticContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CZ2 4.06Å; F32-W50 HydrophobicContact CG-CZ3 4.15Å; A48-W50 VanDerWaalsContact C-N 3.3Å; A48-W50 HydrophobicContact CB-CD2 4.2Å; A48-W50 HydrophobicContact CB-CG 4.4Å; A48-W50 HydrophobicContact CB-CZ2 4.01Å; A48-W50 PolarHBondContact O-N 3.31Å; W50-Q53 WeakPolarHBondContact O-CG 3.46Å; W50-Q53 PolarHBondContact O-NE2 3.22Å; W50-Y170 HydrophobicContact CE3-CD1 4.38Å; W50-Y170 HydrophobicContact CH2-CD2 4.46Å; W50-Y170 HydrophobicContact CH2-CG 4.14Å; W50-Y170 AromaticContact CZ3-CD1 3.69Å; W50-Y170 HydrophobicContact CZ3-CD1 3.69Å; W50-Y170 HydrophobicContact CZ3-CD2 4.27Å; W50-Y170 HydrophobicContact CZ3-CE1 4.43Å; W50-Y170 AromaticContact CZ3-CG 3.61Å; W50-Y170 HydrophobicContact CZ3-CG 3.61Å; W50-T177 VanDerWaalsContact CD1-OG1 3.32Å; W50-L178 HydrophobicContact CD2-CD1 4.35Å; W50-L178 HydrophobicContact CH2-CD1 4.31Å; W50-L178 HydrophobicContact CZ2-CD1 3.78Å; W50-L178 HydrophobicContact CZ2-CD2 4.03Å; W50-L178 HydrophobicContact CZ2-CG 4.32Å
51I98.1Very high97.4Very high0 Ų063.3 Ų63.30%032%0.324CS..G310 helixtrans-89-19.1173.8-162.671.5000111.8F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CB 4.46Å; F32-I51 HydrophobicContact CD2-CD1 4.03Å; F32-I51 HydrophobicContact CD2-CG1 4.06Å; F32-I51 HydrophobicContact CE2-CD1 4.38Å; F32-I51 VanDerWaalsContact O-CG2 3.31Å; F32-I51 WeakPolarHBondContact O-CG2 3.13Å; V33-I51 HydrophobicContact CG1-CG1 4.4Å; P46-I51 HydrophobicContact CB-CG2 3.73Å; A48-I51 WeakPolarHBondContact O-CG2 3.46Å; A48-I51 PolarHBondContact O-N 3.31Å; P49-I51 PolarHBondContact O-N 2.85Å; I51-Q53 PolarHBondContact O-N 2.8Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; I51-E54 HydrophobicContact CD1-CG 3.66Å; I51-E54 HydrophobicContact CG1-CG 4.2Å; I51-E54 WeakPolarHBondContact O-CB 3.3Å; I51-E54 WeakPolarHBondContact O-CG 3.25Å; I51-E54 PolarHBondContact O-N 2.81Å; I51-Y58 HydrophobicContact CD1-CE1 4.21Å; I51-Y58 HydrophobicContact CG1-CE1 4.2Å; I51-W59 HydrophobicContact CB-CH2 4.46Å; I51-W59 HydrophobicContact CG1-CH2 3.79Å; I51-W59 HydrophobicContact CG1-CZ2 4.02Å; I51-W59 HydrophobicContact CG2-CH2 3.95Å; I51-W59 HydrophobicContact CG2-CZ2 4.32Å; I51-W59 WeakPolarHBondContact O-CZ2 3.36Å; I51-Y170 HydrophobicContact CD1-CD1 3.83Å; I51-Y170 HydrophobicContact CD1-CE1 3.28Å
52E97.2Very high97.7Very high125 Ų12561.3 Ų61.358%0.58431%0.307SS*.THydrogen-bonded Turntrans-64.4-22.4-176.3-64.3-178.1-175.900113.4P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.83Å; P46-E52 HydrophobicContact CG-CG 4.14Å; P49-E52 WeakPolarHBondContact O-CB 2.93Å; P49-E52 PolarHBondContact O-N 2.74Å; P49-E52 VanDerWaalsContact O-N 3.12Å; E52-E54 PolarHBondContact O-N 3.19Å
53Q96.3Very high97.9Very high118 Ų11858.2 Ų58.255%0.55129%0.294SS*.THydrogen-bonded Turntrans-73.1-11.5175.667.3-179.5-7.300114.1W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.46Å; W50-Q53 PolarHBondContact O-NE2 3.22Å; I51-Q53 PolarHBondContact O-N 2.8Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; Q53-N173 PolarHBondContact NE2-ND2 3.35Å; Q53-N173 PolarHBondContact NE2-OD1 3.02Å
54E97.9Very high97.9Very high14 Ų1459.2 Ų59.27%0.06530%0.298CS..SBendtrans-66.3137.8175.3-64.4-60.4163.200110.8I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.66Å; I51-E54 HydrophobicContact CG1-CG 4.2Å; I51-E54 WeakPolarHBondContact O-CB 3.3Å; I51-E54 WeakPolarHBondContact O-CG 3.25Å; I51-E54 PolarHBondContact O-N 2.81Å; E52-E54 PolarHBondContact O-N 3.19Å; E54-Y58 HydrophobicContact CB-CD1 3.65Å; E54-Y58 HydrophobicContact CB-CD2 4.38Å; E54-Y58 HydrophobicContact CB-CE1 4.29Å; E54-Y58 HydrophobicContact CB-CG 3.72Å; E54-Y58 HydrophobicContact CG-CD1 4.15Å; E54-Y58 HydrophobicContact CG-CD2 4.33Å; E54-Y58 HydrophobicContact CG-CE1 4.37Å; E54-Y58 HydrophobicContact CG-CG 4.14Å; E54-W59 PolarHBondContact O-NE1 2.83Å; E54-R169 IonicContact OE1-CZ 3.89Å; E54-R169 IonicContact OE1-NE 2.86Å; E54-R169 PolarHBondContact OE1-NE 3.17Å; E54-R169 IonicContact OE1-NH2 3.58Å; E54-R169 PolarHBondContact OE1-NH2 3.44Å; E54-R169 VanDerWaalsContact OE1-NH2 3.16Å; E54-R169 IonicContact OE2-CZ 3.16Å; E54-R169 IonicContact OE2-NE 3.97Å; E54-R169 PolarHBondContact OE2-NE 3.36Å; E54-R169 IonicContact OE2-NH2 2.77Å; E54-R169 PolarHBondContact OE2-NH2 3.02Å; E54-N173 PolarHBondContact OE1-ND2 3.03Å
55G97.5Very high97.9Very high29 Ų2963.8 Ų63.830%0.29932%0.317SS..  trans-69.2168.3-174.800000114.1E57 Y58 W59G55-E57 PolarHBondContact O-N 2.93Å; G55-E57 VanDerWaalsContact O-N 3.17Å; G55-Y58 WeakPolarHBondContact O-CB 3.03Å; G55-Y58 PolarHBondContact O-N 2.98Å; G55-W59 VanDerWaalsContact O-CD1 3.26Å; G55-W59 PolarHBondContact O-N 3.32Å
56P97.6Very high97.8Very high85 Ų8561.2 Ų61.255%0.55231%0.305SS*.Hα-helixtrans-57.6-31.8-179.723.8-33000113.1Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 2.86Å; P56-W59 PolarHBondContact O-N 3.01Å; P56-D60 WeakPolarHBondContact O-CB 3.39Å; P56-D60 PolarHBondContact O-N 2.98Å
57E98.1Very high97.8Very high149 Ų14962.9 Ų62.970%0.69631%0.308SS*.Hα-helixtrans-62.9-35.3178.1-61.377.8-170.100112.4G55 G61G55-E57 PolarHBondContact O-N 2.93Å; G55-E57 VanDerWaalsContact O-N 3.17Å; E57-G61 PolarHBondContact O-N 3.32Å
58Y98.2Very high97.8Very high19 Ų1960 Ų608%0.07531%0.308CS..Hα-helixtrans-63.7-53.4174173.3-91.1000110.1I51 E54 G55 P56 D60 G61 E62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.21Å; I51-Y58 HydrophobicContact CG1-CE1 4.2Å; E54-Y58 HydrophobicContact CB-CD1 3.65Å; E54-Y58 HydrophobicContact CB-CD2 4.38Å; E54-Y58 HydrophobicContact CB-CE1 4.29Å; E54-Y58 HydrophobicContact CB-CG 3.72Å; E54-Y58 HydrophobicContact CG-CD1 4.15Å; E54-Y58 HydrophobicContact CG-CD2 4.33Å; E54-Y58 HydrophobicContact CG-CE1 4.37Å; E54-Y58 HydrophobicContact CG-CG 4.14Å; G55-Y58 WeakPolarHBondContact O-CB 3.03Å; G55-Y58 PolarHBondContact O-N 2.98Å; P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 2.86Å; Y58-D60 PolarHBondContact O-N 2.62Å; Y58-G61 PolarHBondContact O-N 2.93Å; Y58-E62 HydrophobicContact CD1-CG 4.31Å; Y58-E62 HydrophobicContact CD2-CG 4.3Å; Y58-E62 HydrophobicContact CE1-CG 3.95Å; Y58-E62 HydrophobicContact CE2-CG 3.96Å; Y58-E62 HydrophobicContact CG-CG 4.47Å; Y58-E62 WeakPolarHBondContact O-CG 3.3Å; Y58-E62 PolarHBondContact O-N 2.84Å; Y58-W166 AromaticContact CD2-CH2 3.51Å; Y58-W166 HydrophobicContact CD2-CH2 3.51Å; Y58-W166 HydrophobicContact CD2-CZ2 4.18Å; Y58-W166 AromaticContact CD2-CZ3 3.85Å; Y58-W166 HydrophobicContact CD2-CZ3 3.85Å; Y58-W166 HydrophobicContact CE2-CE3 4.26Å; Y58-W166 AromaticContact CE2-CH2 3.81Å; Y58-W166 HydrophobicContact CE2-CH2 3.81Å; Y58-W166 HydrophobicContact CE2-CZ2 4.39Å; Y58-W166 AromaticContact CE2-CZ3 3.73Å; Y58-W166 HydrophobicContact CE2-CZ3 3.73Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.27Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.46Å; Y58-Y170 PolarHBondContact OH-OH 3.37Å
59W98.5Very high97.8Very high40 Ų4062 Ų6215%0.15232%0.317CS..Hα-helixtrans-64-41.1-176.4-64.9111.2000112.9V33 M44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.06Å; V33-W59 HydrophobicContact CG1-CZ3 3.87Å; M44-W59 HydrophobicContact CB-CE3 4.27Å; M44-W59 HydrophobicContact CG-CE3 4.26Å; M44-W59 HydrophobicContact CG-CZ3 4.05Å; P46-W59 HydrophobicContact CB-CH2 3.66Å; P46-W59 HydrophobicContact CB-CZ2 4.03Å; P46-W59 HydrophobicContact CG-CH2 4.28Å; P46-W59 HydrophobicContact CG-CZ2 4.46Å; I51-W59 HydrophobicContact CB-CH2 4.46Å; I51-W59 HydrophobicContact CG1-CH2 3.79Å; I51-W59 HydrophobicContact CG1-CZ2 4.02Å; I51-W59 HydrophobicContact CG2-CH2 3.95Å; I51-W59 HydrophobicContact CG2-CZ2 4.32Å; I51-W59 WeakPolarHBondContact O-CZ2 3.36Å; E54-W59 PolarHBondContact O-NE1 2.83Å; G55-W59 VanDerWaalsContact O-CD1 3.26Å; G55-W59 PolarHBondContact O-N 3.32Å; P56-W59 PolarHBondContact O-N 3.01Å; W59-T63 WeakPolarHBondContact O-CB 3.42Å; W59-T63 PolarHBondContact O-N 3.32Å; W59-T63 PolarHBondContact O-OG1 2.89Å
60D98.3Very high97.8Very high85 Ų8558 Ų5846%0.45529%0.291SS..Hα-helixtrans-67.1-39.4175.2-76.8-16.7000111.4P56 Y58 R64P56-D60 WeakPolarHBondContact O-CB 3.39Å; P56-D60 PolarHBondContact O-N 2.98Å; Y58-D60 PolarHBondContact O-N 2.62Å; D60-R64 WeakPolarHBondContact O-CB 3.5Å; D60-R64 PolarHBondContact O-N 2.73Å
61G98.3Very high97.8Very high14 Ų1462.2 Ų62.214%0.14431%0.312CS..Hα-helixtrans-61.2-53.7174.800000112.5E57 Y58 R64 K65E57-G61 PolarHBondContact O-N 3.32Å; Y58-G61 PolarHBondContact O-N 2.93Å; G61-R64 PolarHBondContact O-N 2.99Å; G61-K65 WeakPolarHBondContact O-CG 3.2Å; G61-K65 PolarHBondContact O-N 2.99Å
62E98.3Very high97.8Very high23 Ų2365.6 Ų65.611%0.10733%0.332CS..Hα-helixtrans-65.4-38.9179.6-67.5-48.9116.800111.8M44 Y58 R64 K65 V66M44-E62 HydrophobicContact CB-CB 4.17Å; M44-E62 HydrophobicContact CE-CB 4.4Å; M44-E62 HydrophobicContact CG-CB 4.13Å; Y58-E62 HydrophobicContact CD1-CG 4.31Å; Y58-E62 HydrophobicContact CD2-CG 4.3Å; Y58-E62 HydrophobicContact CE1-CG 3.95Å; Y58-E62 HydrophobicContact CE2-CG 3.96Å; Y58-E62 HydrophobicContact CG-CG 4.47Å; Y58-E62 WeakPolarHBondContact O-CG 3.3Å; Y58-E62 PolarHBondContact O-N 2.84Å; E62-R64 VanDerWaalsContact C-N 3.35Å; E62-R64 PolarHBondContact O-N 3.24Å; E62-K65 PolarHBondContact O-N 3.36Å; E62-K65 WeakPolarHBondContact OE1-CD 3.49Å; E62-K65 IonicContact OE1-NZ 2.65Å; E62-K65 PolarHBondContact OE1-NZ 2.94Å; E62-V66 WeakPolarHBondContact O-CB 3.18Å; E62-V66 WeakPolarHBondContact O-CG1 3.38Å; E62-V66 PolarHBondContact O-N 2.95Å
63T98.6Very high97.8Very high15 Ų1559.6 Ų59.69%0.09230%0.304CS..Hα-helixtrans-61.2-42.8173.4-63.60000111.6R43 M44 W59 V66 K67R43-T63 HydrophobicContact CG-CG2 4.23Å; M44-T63 PolarHBondContact N-OG1 2.87Å; W59-T63 WeakPolarHBondContact O-CB 3.42Å; W59-T63 PolarHBondContact O-N 3.32Å; W59-T63 PolarHBondContact O-OG1 2.89Å; T63-V66 WeakPolarHBondContact O-CG1 3.39Å; T63-K67 HydrophobicContact CG2-CD 4.27Å; T63-K67 WeakPolarHBondContact O-CB 3.47Å; T63-K67 WeakPolarHBondContact O-CG 3.39Å; T63-K67 PolarHBondContact O-N 2.69Å; T63-K67 VanDerWaalsContact O-N 3.09Å
64R98.4Very high97.8Very high175 Ų17559 Ų5966%0.6630%0.297SS*.Hα-helixtrans-65.3-45.6177.2-170.3-175.7-59.5107.22.6111.2D60 G61 E62 K67 A68D60-R64 WeakPolarHBondContact O-CB 3.5Å; D60-R64 PolarHBondContact O-N 2.73Å; G61-R64 PolarHBondContact O-N 2.99Å; E62-R64 VanDerWaalsContact C-N 3.35Å; E62-R64 PolarHBondContact O-N 3.24Å; R64-K67 PolarHBondContact O-N 3.44Å; R64-A68 PolarHBondContact O-N 2.8Å
65K97.6Very high97.8Very high107 Ų10762.8 Ų62.847%0.46532%0.321SS..Hα-helixtrans-59.8-48.5178.3-71.9173.4-168166.90111.2G61 E62 K67 A68 H69G61-K65 WeakPolarHBondContact O-CG 3.2Å; G61-K65 PolarHBondContact O-N 2.99Å; E62-K65 PolarHBondContact O-N 3.36Å; E62-K65 WeakPolarHBondContact OE1-CD 3.49Å; E62-K65 IonicContact OE1-NZ 2.65Å; E62-K65 PolarHBondContact OE1-NZ 2.94Å; K65-K67 VanDerWaalsContact C-N 3.34Å; K65-K67 PolarHBondContact O-N 3.07Å; K65-A68 WeakPolarHBondContact O-CB 3.33Å; K65-A68 PolarHBondContact O-N 3.18Å; K65-H69 PolarHBondContact O-N 3.19Å; K65-H69 PolarHBondContact O-ND1 3.27Å
66V97.7Very high97.8Very high3 Ų363.5 Ų63.52%0.01832%0.318CS..Hα-helixtrans-69.2-33.1-176.679.10000112.1F21 A23 F35 M44 E62 T63 H69 S70F21-V66 HydrophobicContact CD1-CG2 4.43Å; F21-V66 HydrophobicContact CE1-CG2 3.54Å; F21-V66 HydrophobicContact CZ-CG2 4.3Å; A23-V66 HydrophobicContact CB-CG2 3.62Å; F35-V66 HydrophobicContact CB-CG1 3.97Å; F35-V66 HydrophobicContact CB-CG2 3.85Å; F35-V66 HydrophobicContact CD1-CG1 4.04Å; F35-V66 HydrophobicContact CD1-CG2 3.84Å; F35-V66 HydrophobicContact CD2-CG1 3.28Å; F35-V66 HydrophobicContact CD2-CG2 4.45Å; F35-V66 HydrophobicContact CE1-CG1 4.38Å; F35-V66 HydrophobicContact CE2-CG1 3.66Å; F35-V66 HydrophobicContact CG-CB 4.33Å; F35-V66 HydrophobicContact CG-CG1 3.49Å; F35-V66 VanDerWaalsContact CG-CG1 3.49Å; F35-V66 HydrophobicContact CG-CG2 3.8Å; F35-V66 HydrophobicContact CZ-CG1 4.21Å; M44-V66 HydrophobicContact CE-CB 3.84Å; M44-V66 HydrophobicContact CE-CG1 4.05Å; M44-V66 HydrophobicContact CE-CG2 3.97Å; E62-V66 WeakPolarHBondContact O-CB 3.18Å; E62-V66 WeakPolarHBondContact O-CG1 3.38Å; E62-V66 PolarHBondContact O-N 2.95Å; T63-V66 WeakPolarHBondContact O-CG1 3.39Å; V66-H69 PolarHBondContact O-N 3.09Å; V66-S70 PolarHBondContact O-N 2.97Å
67K98.1Very high97.8Very high82 Ų8259.9 Ų59.936%0.35729%0.294SS..Hα-helixtrans-65.3-40.5170.8-76.3-175.6179.3-174.30112.4F35 Q42 T63 R64 K65 S70 Q71F35-K67 HydrophobicContact CE2-CG 4.13Å; F35-K67 HydrophobicContact CZ-CG 4.06Å; Q42-K67 WeakPolarHBondContact O-CE 3.44Å; Q42-K67 PolarHBondContact O-NZ 2.9Å; Q42-K67 VanDerWaalsContact O-NZ 3.16Å; T63-K67 HydrophobicContact CG2-CD 4.27Å; T63-K67 WeakPolarHBondContact O-CB 3.47Å; T63-K67 WeakPolarHBondContact O-CG 3.39Å; T63-K67 PolarHBondContact O-N 2.69Å; T63-K67 VanDerWaalsContact O-N 3.09Å; R64-K67 PolarHBondContact O-N 3.44Å; K65-K67 VanDerWaalsContact C-N 3.34Å; K65-K67 PolarHBondContact O-N 3.07Å; K67-S70 WeakPolarHBondContact O-CB 3.47Å; K67-S70 PolarHBondContact O-N 3.19Å; K67-Q71 PolarHBondContact O-N 2.83Å
68A98.1Very high97.7Very high54 Ų5454.5 Ų54.545%0.44628%0.278SS..Hα-helixtrans-62-44.2173.800000111.2R64 K65 S70 Q71 T72R64-A68 PolarHBondContact O-N 2.8Å; K65-A68 WeakPolarHBondContact O-CB 3.33Å; K65-A68 PolarHBondContact O-N 3.18Å; A68-S70 VanDerWaalsContact C-N 3.33Å; A68-S70 PolarHBondContact O-N 3.12Å; A68-Q71 PolarHBondContact O-N 2.91Å; A68-Q71 VanDerWaalsContact O-N 3.16Å; A68-T72 PolarHBondContact O-N 3.35Å; A68-T72 PolarHBondContact O-OG1 3.32Å
69H97.4Very high97.7Very high48 Ų4855.9 Ų55.922%0.22229%0.289CS..Hα-helixtrans-61.5-38.8175.4-76.388.7000113.2F8 F21 K65 V66 Q71 T72 H73 R96F8-H69 HydrophobicContact CD2-CB 4.45Å; F8-H69 HydrophobicContact CE2-CB 4.11Å; F8-H69 AromaticContact CE2-CD2 3.61Å; F8-H69 AromaticContact CE2-CG 3.79Å; F21-H69 HydrophobicContact CE2-CB 4.47Å; F21-H69 HydrophobicContact CZ-CB 4.05Å; K65-H69 PolarHBondContact O-N 3.19Å; K65-H69 PolarHBondContact O-ND1 3.27Å; V66-H69 PolarHBondContact O-N 3.09Å; H69-Q71 VanDerWaalsContact C-N 3.32Å; H69-Q71 PolarHBondContact O-N 3.26Å; H69-T72 PolarHBondContact O-N 2.98Å; H69-H73 PolarHBondContact O-CD2 3.2Å; H69-H73 VanDerWaalsContact O-CD2 3.23Å; H69-H73 PolarHBondContact O-N 3.46Å; H69-R96 PolarHBondContact CD2-NH1 2.77Å; H69-R96 PolarHBondContact NE2-NH1 3.37Å
70S97.4Very high97.7Very high16 Ų1654.5 Ų54.511%0.11229%0.285CS..Hα-helixtrans-58.3-42.9173.71760000112F21 V66 K67 A68 H73 R74F21-S70 WeakPolarHBondContact CB-OG 3.37Å; V66-S70 PolarHBondContact O-N 2.97Å; K67-S70 WeakPolarHBondContact O-CB 3.47Å; K67-S70 PolarHBondContact O-N 3.19Å; A68-S70 VanDerWaalsContact C-N 3.33Å; A68-S70 PolarHBondContact O-N 3.12Å; S70-H73 PolarHBondContact O-N 3.49Å; S70-R74 PolarHBondContact O-N 3.41Å
71Q97.6Very high97.6Very high106 Ų10654 Ų5450%0.49528%0.276SS..Hα-helixtrans-67.8-40.5175.1-61.5-52.5-45.400112.5K67 A68 H69 R74 V75K67-Q71 PolarHBondContact O-N 2.83Å; A68-Q71 PolarHBondContact O-N 2.91Å; A68-Q71 VanDerWaalsContact O-N 3.16Å; H69-Q71 VanDerWaalsContact C-N 3.32Å; H69-Q71 PolarHBondContact O-N 3.26Å; Q71-R74 WeakPolarHBondContact O-CB 3.41Å; Q71-R74 PolarHBondContact O-N 3.27Å; Q71-V75 WeakPolarHBondContact O-CG2 3.49Å; Q71-V75 PolarHBondContact O-N 2.61Å; Q71-V75 VanDerWaalsContact O-N 3.12Å
72T97.3Very high97.6Very high70 Ų7055.4 Ų55.443%0.42929%0.291SS..Hα-helixtrans-59.3-49.2174.4-56.80000111.2A68 H69 R74 V75 D76A68-T72 PolarHBondContact O-N 3.35Å; A68-T72 PolarHBondContact O-OG1 3.32Å; H69-T72 PolarHBondContact O-N 2.98Å; T72-R74 VanDerWaalsContact C-N 3.27Å; T72-R74 PolarHBondContact O-N 2.88Å; T72-V75 WeakPolarHBondContact O-CB 3.27Å; T72-V75 PolarHBondContact O-N 3.32Å; T72-D76 VanDerWaalsContact O-CG 3.23Å; T72-D76 PolarHBondContact O-N 3.22Å
73H97.2Very high97.6Very high0 Ų057 Ų570%030%0.296CS..Hα-helixtrans-62.5-33.3179.1-82-129.7000112.6F8 F21 H69 S70 D76 L77F8-H73 AromaticContact CD2-NE2 3.94Å; F21-H73 HydrophobicContact CD2-CB 4.07Å; F21-H73 HydrophobicContact CE2-CB 4.18Å; F21-H73 AromaticContact CE2-CD2 3.95Å; F21-H73 AromaticContact CE2-CE1 3.99Å; F21-H73 AromaticContact CE2-CG 3.72Å; F21-H73 AromaticContact CE2-ND1 3.75Å; H69-H73 PolarHBondContact O-CD2 3.2Å; H69-H73 VanDerWaalsContact O-CD2 3.23Å; H69-H73 PolarHBondContact O-N 3.46Å; S70-H73 PolarHBondContact O-N 3.49Å; H73-D76 PolarHBondContact O-N 3.35Å; H73-L77 WeakPolarHBondContact O-CG 3.37Å; H73-L77 PolarHBondContact O-N 3.08Å
74R97Very high97.5Very high105 Ų10559.4 Ų59.440%0.39630%0.304SS..Hα-helixtrans-61.6-44.9172174.5-172.1168.2161.413.9111.5E18 P19 S70 Q71 T72 D76 G78E18-R74 IonicContact OE1-CZ 3.03Å; E18-R74 IonicContact OE1-NH1 3.52Å; E18-R74 PolarHBondContact OE1-NH1 3.45Å; E18-R74 VanDerWaalsContact OE1-NH1 3.15Å; E18-R74 IonicContact OE1-NH2 3.89Å; E18-R74 PolarHBondContact OE1-NH2 2.8Å; E18-R74 WeakPolarHBondContact OE2-CD 3.41Å; E18-R74 IonicContact OE2-CZ 3.06Å; E18-R74 IonicContact OE2-NE 3.97Å; E18-R74 PolarHBondContact OE2-NE 2.81Å; E18-R74 IonicContact OE2-NH1 2.68Å; E18-R74 PolarHBondContact OE2-NH1 2.6Å; E18-R74 IonicContact OE2-NH2 2.83Å; E18-R74 PolarHBondContact OE2-NH2 2.9Å; P19-R74 HydrophobicContact CG-CG 4.29Å; S70-R74 PolarHBondContact O-N 3.41Å; Q71-R74 WeakPolarHBondContact O-CB 3.41Å; Q71-R74 PolarHBondContact O-N 3.27Å; T72-R74 VanDerWaalsContact C-N 3.27Å; T72-R74 PolarHBondContact O-N 2.88Å; R74-D76 VanDerWaalsContact C-N 3.35Å; R74-G78 PolarHBondContact O-N 2.78Å
75V97.5Very high97.5Very high93 Ų9358.4 Ų58.456%0.56431%0.312SS*.Hα-helixtrans-66.2-40.2176175.50000110.8Q71 T72 L77 G78 T79Q71-V75 WeakPolarHBondContact O-CG2 3.49Å; Q71-V75 PolarHBondContact O-N 2.61Å; Q71-V75 VanDerWaalsContact O-N 3.12Å; T72-V75 WeakPolarHBondContact O-CB 3.27Å; T72-V75 PolarHBondContact O-N 3.32Å; V75-L77 PolarHBondContact O-N 2.93Å; V75-G78 PolarHBondContact O-N 2.76Å; V75-T79 PolarHBondContact O-N 3.12Å; V75-T79 PolarHBondContact O-OG1 2.89Å
76D97.4Very high97.4Very high44 Ų4456.2 Ų56.224%0.23530%0.303CS..Hα-helixtrans-61.9-43.6177.9-65.6-25.1000111.3T72 H73 R74 G78 T79 L80T72-D76 VanDerWaalsContact O-CG 3.23Å; T72-D76 PolarHBondContact O-N 3.22Å; H73-D76 PolarHBondContact O-N 3.35Å; R74-D76 VanDerWaalsContact C-N 3.35Å; D76-G78 VanDerWaalsContact C-N 3.31Å; D76-G78 PolarHBondContact O-N 3.42Å; D76-T79 PolarHBondContact O-N 3.13Å; D76-T79 VanDerWaalsContact O-N 3.14Å; D76-L80 HydrophobicContact CB-CD1 4.42Å; D76-L80 WeakPolarHBondContact O-CB 3.23Å; D76-L80 VanDerWaalsContact O-CG 3.23Å; D76-L80 WeakPolarHBondContact O-CG 3.49Å; D76-L80 PolarHBondContact O-N 3.46Å
77L97.9Very high97.3Very high9 Ų959.7 Ų59.75%0.04733%0.328CS..Hα-helixtrans-55.9-43.7175.2-81.3163.2000112.3S10 P19 H73 V75 R81 H92 V94 Y117S10-L77 WeakPolarHBondContact OG-CD1 3.48Å; P19-L77 HydrophobicContact CB-CD1 3.57Å; P19-L77 HydrophobicContact CG-CD1 3.67Å; H73-L77 WeakPolarHBondContact O-CG 3.37Å; H73-L77 PolarHBondContact O-N 3.08Å; V75-L77 PolarHBondContact O-N 2.93Å; L77-R81 VanDerWaalsContact O-CB 3.31Å; L77-R81 WeakPolarHBondContact O-CB 3.29Å; L77-R81 PolarHBondContact O-N 2.75Å; L77-R81 VanDerWaalsContact O-N 3.13Å; L77-H92 HydrophobicContact CD2-CB 4.01Å; L77-H92 WeakPolarHBondContact CD2-O 3.44Å; L77-V94 HydrophobicContact CD2-CB 4.42Å; L77-V94 HydrophobicContact CD2-CG2 3.69Å; L77-V94 HydrophobicContact CG-CB 4.49Å; L77-V94 HydrophobicContact CG-CG2 3.85Å; L77-Y117 HydrophobicContact CD2-CE2 4.36Å
78G96.2Very high97.1Very high36 Ų3662.2 Ų62.237%0.37134%0.341SS..Hα-helixtrans-67.4-40.417600000112.9R74 V75 D76 G82R74-G78 PolarHBondContact O-N 2.78Å; V75-G78 PolarHBondContact O-N 2.76Å; D76-G78 VanDerWaalsContact C-N 3.31Å; D76-G78 PolarHBondContact O-N 3.42Å; G78-G82 PolarHBondContact O-N 2.89Å
79T97.4Very high96.9Very high49 Ų4963.8 Ų63.830%0.30135%0.354SS..Hα-helixtrans-65.8-48.2178.8-56.80000111.3V75 D76 G82 Y83V75-T79 PolarHBondContact O-N 3.12Å; V75-T79 PolarHBondContact O-OG1 2.89Å; D76-T79 PolarHBondContact O-N 3.13Å; D76-T79 VanDerWaalsContact O-N 3.14Å; T79-G82 WeakPolarHBondContact O-CA 3.26Å; T79-G82 PolarHBondContact O-N 2.99Å; T79-G82 VanDerWaalsContact O-N 3.13Å; T79-Y83 HydrophobicContact CG2-CD1 4.44Å; T79-Y83 HydrophobicContact CG2-CD2 4.38Å; T79-Y83 HydrophobicContact CG2-CE1 3.83Å; T79-Y83 HydrophobicContact CG2-CE2 3.77Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.45Å; T79-Y83 PolarHBondContact O-N 3.24Å
80L98Very high96.7Very high11 Ų1162.6 Ų62.66%0.05835%0.354CS..Hα-helixtrans-64.3-44.1-178.6-70.3165.3000111D76 G82 Y83 Y84 V94 Y117 Y122D76-L80 HydrophobicContact CB-CD1 4.42Å; D76-L80 WeakPolarHBondContact O-CB 3.23Å; D76-L80 VanDerWaalsContact O-CG 3.23Å; D76-L80 WeakPolarHBondContact O-CG 3.49Å; D76-L80 PolarHBondContact O-N 3.46Å; L80-G82 PolarHBondContact O-N 3.26Å; L80-Y83 HydrophobicContact CD2-CD2 4.32Å; L80-Y83 PolarHBondContact O-N 3.34Å; L80-Y84 HydrophobicContact CD2-CE2 4.28Å; L80-Y84 VanDerWaalsContact O-CD2 3.24Å; L80-Y84 WeakPolarHBondContact O-CD2 3.42Å; L80-Y84 PolarHBondContact O-N 2.65Å; L80-V94 HydrophobicContact CD1-CG2 3.47Å; L80-V94 VanDerWaalsContact CD1-CG2 3.47Å; L80-Y117 HydrophobicContact CB-CD1 4.4Å; L80-Y117 HydrophobicContact CB-CD2 4.12Å; L80-Y117 HydrophobicContact CB-CE1 4.07Å; L80-Y117 HydrophobicContact CB-CE2 3.78Å; L80-Y117 HydrophobicContact CB-CG 4.41Å; L80-Y117 HydrophobicContact CD1-CD2 3.63Å; L80-Y117 HydrophobicContact CD1-CE2 4Å; L80-Y117 HydrophobicContact CD1-CG 4.09Å; L80-Y117 HydrophobicContact CG-CD2 4.41Å; L80-Y122 HydrophobicContact CD2-CD1 4.37Å; L80-Y122 HydrophobicContact CD2-CD2 4.1Å; L80-Y122 HydrophobicContact CD2-CE1 3.77Å; L80-Y122 HydrophobicContact CD2-CE2 3.45Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.45Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.39Å
81R97.1Very high96.7Very high74 Ų7465.3 Ų65.328%0.27937%0.373SS..Hα-helixtrans-52.5-42.2172.5-174.7-172.267.4-179.811.2111.7L77 N85 Q86 E88L77-R81 VanDerWaalsContact O-CB 3.31Å; L77-R81 WeakPolarHBondContact O-CB 3.29Å; L77-R81 PolarHBondContact O-N 2.75Å; L77-R81 VanDerWaalsContact O-N 3.13Å; R81-N85 PolarHBondContact O-N 3.49Å; R81-N85 VanDerWaalsContact O-N 3.12Å; R81-Q86 HydrophobicContact CG-CB 3.84Å; R81-Q86 WeakPolarHBondContact CG-O 3.31Å; R81-Q86 PolarHBondContact O-N 2.99Å; R81-E88 IonicContact CZ-OE1 3.15Å; R81-E88 VanDerWaalsContact CZ-OE1 3.31Å; R81-E88 IonicContact NH1-OE1 3.8Å; R81-E88 PolarHBondContact NH1-OE1 2.93Å; R81-E88 IonicContact NH2-OE1 3.09Å; R81-E88 PolarHBondContact NH2-OE1 2.79Å
82G97.2Very high96.8Very high44 Ų4461 Ų6145%0.45435%0.353SS..Hα-helixtrans-65.2-46.1175.100000113.2G78 T79 L80 Y84 N85G78-G82 PolarHBondContact O-N 2.89Å; T79-G82 WeakPolarHBondContact O-CA 3.26Å; T79-G82 PolarHBondContact O-N 2.99Å; T79-G82 VanDerWaalsContact O-N 3.13Å; L80-G82 PolarHBondContact O-N 3.26Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 3.29Å; G82-N85 PolarHBondContact O-N 2.9Å
83Y97.9Very high96.8Very high55 Ų5559.4 Ų59.422%0.21634%0.343CS..Hα-helixtrans-61.1-34.5178.3-67.1-13.5000113.3T79 L80 A138 I141 K145T79-Y83 HydrophobicContact CG2-CD1 4.44Å; T79-Y83 HydrophobicContact CG2-CD2 4.38Å; T79-Y83 HydrophobicContact CG2-CE1 3.83Å; T79-Y83 HydrophobicContact CG2-CE2 3.77Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.45Å; T79-Y83 PolarHBondContact O-N 3.24Å; L80-Y83 HydrophobicContact CD2-CD2 4.32Å; L80-Y83 PolarHBondContact O-N 3.34Å; Y83-A138 HydrophobicContact CD2-CB 4.44Å; Y83-I141 HydrophobicContact CD1-CD1 4.09Å; Y83-I141 HydrophobicContact CE1-CD1 4.25Å; Y83-I141 HydrophobicContact CE1-CG2 3.99Å; Y83-I141 HydrophobicContact CE2-CB 4.21Å; Y83-I141 HydrophobicContact CE2-CG2 4.17Å; Y83-I141 HydrophobicContact CG-CD1 4.28Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.38Å; Y83-K145 PolarHBondContact OH-NZ 3.35Å
84Y97.9Very high96.9Very high67 Ų6759.4 Ų59.426%0.26334%0.344SS..THydrogen-bonded Turntrans-93.84.5179.3-68.9-72.4000113.8L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.28Å; L80-Y84 VanDerWaalsContact O-CD2 3.24Å; L80-Y84 WeakPolarHBondContact O-CD2 3.42Å; L80-Y84 PolarHBondContact O-N 2.65Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 3.29Å; Y84-Q86 PolarHBondContact O-N 3.02Å; Y84-Y117 AromaticContact CD2-CD1 3.65Å; Y84-Y117 HydrophobicContact CD2-CD1 3.65Å; Y84-Y117 AromaticContact CD2-CE1 3.44Å; Y84-Y117 HydrophobicContact CD2-CE1 3.44Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.44Å; Y84-Y117 AromaticContact CE2-CD1 3.43Å; Y84-Y117 HydrophobicContact CE2-CD1 3.43Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.43Å; Y84-Y117 AromaticContact CE2-CE1 3.77Å; Y84-Y117 HydrophobicContact CE2-CE1 3.77Å; Y84-Y117 HydrophobicContact CE2-CG 4.41Å; Y84-Y117 HydrophobicContact CG-CE1 4.32Å; Y84-Y122 HydrophobicContact CE2-CD2 4.43Å; Y84-Y122 HydrophobicContact CE2-CE2 4.16Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.4Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.32Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.41Å; Y84-D136 VanDerWaalsContact OH-CG 3.26Å; Y84-D136 PolarHBondContact OH-OD1 2.91Å; Y84-D136 PolarHBondContact OH-OD2 3.14Å; Y84-A138 HydrophobicContact CD1-CB 4.22Å; Y84-A138 HydrophobicContact CD2-CB 4.45Å; Y84-A138 HydrophobicContact CE1-CB 3.65Å; Y84-A138 HydrophobicContact CE2-CB 3.9Å; Y84-A138 VanDerWaalsContact CZ-CB 3.48Å
85N97Very high97Very high153 Ų15358.1 Ų58.182%0.81834%0.342SS*.THydrogen-bonded Turntrans51.739.8-177.5-57.2-57000113.4R81 G82R81-N85 PolarHBondContact O-N 3.49Å; R81-N85 VanDerWaalsContact O-N 3.12Å; G82-N85 PolarHBondContact O-N 2.9Å
86Q97.3Very high97Very high61 Ų6154.8 Ų54.829%0.28532%0.319SS..  trans-88.8153.6-176.2-71.7164.9-36.400112R81 Y84 H92 Y117R81-Q86 HydrophobicContact CG-CB 3.84Å; R81-Q86 WeakPolarHBondContact CG-O 3.31Å; R81-Q86 PolarHBondContact O-N 2.99Å; Y84-Q86 PolarHBondContact O-N 3.02Å; Q86-H92 PolarHBondContact NE2-CE1 3.27Å; Q86-H92 PolarHBondContact OE1-CE1 2.71Å; Q86-Y117 PolarHBondContact OE1-OH 2.82Å
87S95.6Very high97.1Very high76 Ų7653.8 Ų53.853%0.53131%0.314SS..  trans-71154.6-179.488.90000112.6A89 G90S87-A89 PolarHBondContact O-N 3.28Å; S87-A89 PolarHBondContact OG-N 3.26Å; S87-G90 PolarHBondContact O-N 2.92Å; S87-G90 PolarHBondContact OG-N 2.83Å
88E92.4Very high97.1Very high135 Ų13554.4 Ų54.463%0.63132%0.315SS*.THydrogen-bonded Turntrans-72.2-16.5175-52.7-154.7128.100114.1P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.44Å; P14-E88 WeakPolarHBondContact CG-O 3.43Å; R81-E88 IonicContact CZ-OE1 3.15Å; R81-E88 VanDerWaalsContact CZ-OE1 3.31Å; R81-E88 IonicContact NH1-OE1 3.8Å; R81-E88 PolarHBondContact NH1-OE1 2.93Å; R81-E88 IonicContact NH2-OE1 3.09Å; R81-E88 PolarHBondContact NH2-OE1 2.79Å; E88-G90 VanDerWaalsContact C-N 3.32Å
89A93.5Very high97.3Very high87 Ų8752.8 Ų52.872%0.71930%0.298SS*.THydrogen-bonded Turntrans-79.9-16.3-17900000112.9S87S87-A89 PolarHBondContact O-N 3.28Å; S87-A89 PolarHBondContact OG-N 3.26Å
90G94.3Very high97.3Very high23 Ų2350.4 Ų50.424%0.23728%0.284CS..SBendtrans-75.8137.9-17900000112.8P14 S87 E88 H92P14-G90 VanDerWaalsContact CG-O 3.25Å; P14-G90 WeakPolarHBondContact CG-O 3.47Å; S87-G90 PolarHBondContact O-N 2.92Å; S87-G90 PolarHBondContact OG-N 2.83Å; E88-G90 VanDerWaalsContact C-N 3.32Å; G90-H92 PolarHBondContact O-CD2 3.23Å; G90-H92 VanDerWaalsContact O-CD2 3.27Å
91S97.6Very high97.4Very high73 Ų7351.2 Ų51.251%0.5129%0.288SS..  trans-84.4127.8164.8178.90000108.9S12S12-S91 WeakPolarHBondContact O-CB 3.33Å; S12-S91 PolarHBondContact O-OG 2.85Å
92H98.4Very high97.4Very high17 Ų1747.7 Ų47.78%0.07928%0.275CS..  trans-125.8153.2-178.6-62.3-75.3000111.4S12 L77 Q86 G90 Y117 D118S12-H92 PolarHBondContact N-O 2.94Å; S12-H92 WeakPolarHBondContact OG-CA 3.27Å; S12-H92 PolarHBondContact OG-N 3.38Å; S12-H92 PolarHBondContact OG-O 2.97Å; L77-H92 HydrophobicContact CD2-CB 4.01Å; L77-H92 WeakPolarHBondContact CD2-O 3.44Å; Q86-H92 PolarHBondContact NE2-CE1 3.27Å; Q86-H92 PolarHBondContact OE1-CE1 2.71Å; G90-H92 PolarHBondContact O-CD2 3.23Å; G90-H92 VanDerWaalsContact O-CD2 3.27Å; H92-Y117 HydrophobicContact CB-CE2 3.86Å; H92-Y117 WeakPolarHBondContact CB-OH 3.25Å; H92-Y117 VanDerWaalsContact CG-OH 3.25Å; H92-Y117 AromaticContact ND1-CZ 3.94Å; H92-Y117 PolarHBondContact ND1-OH 2.71Å; H92-D118 WeakPolarHBondContact CA-OD1 3.27Å; H92-D118 WeakPolarHBondContact CB-OD1 3.45Å; H92-D118 IonicContact CE1-OD2 3.67Å; H92-D118 IonicContact CG-OD1 2.82Å; H92-D118 IonicContact CG-OD2 3.66Å; H92-D118 IonicContact ND1-OD1 3.64Å; H92-D118 IonicContact ND1-OD2 2.71Å; H92-D118 PolarHBondContact ND1-OD2 3.39Å
93T98.7Very high97.4Very high35 Ų3545.9 Ų45.922%0.21526%0.257CS..EExtended strand (participates in β ladder)trans-124.1130.9-175.9-57.50000111.5T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 4.05Å; S10-T93 CarbonylContact O-C 3.58Å; S10-T93 VanDerWaalsContact O-CA 3.31Å; S10-T93 WeakPolarHBondContact O-CA 3.41Å; V11-T93 HydrophobicContact CG2-CG2 4.21Å; T93-Q95 HydrophobicContact CG2-CG 3.97Å; T93-Y117 WeakPolarHBondContact O-CA 3.36Å; T93-Y117 VanDerWaalsContact O-CD2 3.23Å; T93-Y117 WeakPolarHBondContact O-CD2 3.38Å; T93-D118 PolarHBondContact N-OD1 2.78Å; T93-D118 PolarHBondContact O-N 3.21Å
94V98.7Very high97Very high1 Ų148.4 Ų48.41%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-112.1125.1166.91730000108.6S10 L77 L80 Y115 Y117S10-V94 PolarHBondContact N-O 3.33Å; S10-V94 PolarHBondContact O-N 3.26Å; L77-V94 HydrophobicContact CD2-CB 4.42Å; L77-V94 HydrophobicContact CD2-CG2 3.69Å; L77-V94 HydrophobicContact CG-CB 4.49Å; L77-V94 HydrophobicContact CG-CG2 3.85Å; L80-V94 HydrophobicContact CD1-CG2 3.47Å; L80-V94 VanDerWaalsContact CD1-CG2 3.47Å; V94-Y115 HydrophobicContact CG1-CD1 4.02Å; V94-Y115 HydrophobicContact CG1-CE1 4.45Å; V94-Y117 HydrophobicContact CG2-CD2 3.77Å; V94-Y117 HydrophobicContact CG2-CE2 4.13Å
95Q98.8Very high96.8Very high78 Ų7849.1 Ų49.136%0.36429%0.29SS..EExtended strand (participates in β ladder)trans-114.9144.4173.4-68.3169.3-78.500109.9F8 T9 T93 Y115 A116F8-Q95 CarbonylContact O-C 3.6Å; F8-Q95 VanDerWaalsContact O-CA 3.27Å; F8-Q95 WeakPolarHBondContact O-CA 3.41Å; T9-Q95 HydrophobicContact CG2-CG 4.13Å; T93-Q95 HydrophobicContact CG2-CG 3.97Å; Q95-Y115 CarbonylContact O-C 3.51Å; Q95-Y115 WeakPolarHBondContact O-CA 3.4Å; Q95-A116 HydrophobicContact CB-CB 4.3Å; Q95-A116 PolarHBondContact N-O 3Å; Q95-A116 PolarHBondContact O-N 2.76Å
96R98.6Very high96.4Very high23 Ų2346 Ų469%0.08727%0.267CS..EExtended strand (participates in β ladder)trans-134.1135.3172.7-176.5-167.9-175.5-170.8-7.3109.4F7 F8 H69 Y98 H113 Q114 Y115F7-R96 WeakPolarHBondContact CA-O 3.5Å; F8-R96 HydrophobicContact CB-CB 4.26Å; F8-R96 PolarHBondContact N-O 3.32Å; F8-R96 PolarHBondContact O-N 2.81Å; H69-R96 PolarHBondContact CD2-NH1 2.77Å; H69-R96 PolarHBondContact NE2-NH1 3.37Å; R96-Y98 HydrophobicContact CG-CD1 4.26Å; R96-H113 VanDerWaalsContact CZ-NE2 3.31Å; R96-H113 PolarHBondContact NE-NE2 3.11Å; R96-H113 VanDerWaalsContact NE-NE2 3.15Å; R96-H113 PolarHBondContact NH2-CD2 2.83Å; R96-H113 VanDerWaalsContact NH2-CD2 3.31Å; R96-H113 PolarHBondContact NH2-NE2 2.91Å; R96-Q114 WeakPolarHBondContact CA-O 3.31Å; R96-Y115 HydrophobicContact CB-CD1 3.93Å; R96-Y115 HydrophobicContact CB-CE1 3.79Å; R96-Y115 HydrophobicContact CB-CE2 4.41Å; R96-Y115 HydrophobicContact CB-CG 4.34Å; R96-Y115 WeakPolarHBondContact CD-OH 3.11Å; R96-Y115 HydrophobicContact CG-CD1 4.2Å; R96-Y115 HydrophobicContact CG-CD2 4.04Å; R96-Y115 HydrophobicContact CG-CE1 3.86Å; R96-Y115 HydrophobicContact CG-CE2 3.64Å; R96-Y115 HydrophobicContact CG-CG 4.31Å; R96-Y115 PolarHBondContact NE-OH 3.44Å; R96-Y115 VanDerWaalsContact NE-OH 3.15Å
97M98.8Very high96.3Very high23 Ų2351.2 Ų51.211%0.11328%0.284CS..EExtended strand (participates in β ladder)trans-123.9132.4167-176.7-79.5-75.200108.9Y6 F7 Y112 H113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.33Å; F7-M97 HydrophobicContact CD1-CB 4.03Å; F7-M97 HydrophobicContact CD1-CG 3.68Å; F7-M97 HydrophobicContact CE1-CB 4.22Å; F7-M97 HydrophobicContact CE1-CG 3.45Å; F7-M97 VanDerWaalsContact CE1-CG 3.45Å; F7-M97 HydrophobicContact CZ-CG 4.14Å; M97-Y112 HydrophobicContact CE-CD1 4.17Å; M97-Y112 HydrophobicContact CE-CG 4.16Å; M97-Y112 HydrophobicContact SD-CG 4.44Å; M97-H113 WeakPolarHBondContact O-CA 3.15Å; M97-Q114 HydrophobicContact CB-CG 4.15Å; M97-Q114 VanDerWaalsContact CE-CD 3.41Å; M97-Q114 HydrophobicContact CE-CG 3.93Å; M97-Q114 PolarHBondContact N-O 2.92Å; M97-Q114 PolarHBondContact O-N 2.82Å
98Y98.8Very high96.4Very high22 Ų2250.4 Ų50.49%0.08627%0.271CS..EExtended strand (participates in β ladder)trans-147.7159.2170.870-84.8000111.2R5 Y6 F8 R96 Y112 Y158R5-Y98 WeakPolarHBondContact CA-O 3.46Å; Y6-Y98 AromaticContact CD2-CE2 3.7Å; Y6-Y98 HydrophobicContact CD2-CE2 3.7Å; Y6-Y98 AromaticContact CD2-CZ 3.77Å; Y6-Y98 HydrophobicContact CG-CE1 4.3Å; Y6-Y98 HydrophobicContact CG-CE2 4.19Å; Y6-Y98 AromaticContact CG-CZ 3.77Å; Y6-Y98 PolarHBondContact N-O 3.41Å; Y6-Y98 PolarHBondContact O-N 3.09Å; Y6-Y98 VanDerWaalsContact O-N 3.16Å; F8-Y98 HydrophobicContact CD2-CE1 4.25Å; F8-Y98 HydrophobicContact CE1-CE1 4.16Å; F8-Y98 AromaticContact CE2-CE1 3.58Å; F8-Y98 HydrophobicContact CE2-CE1 3.58Å; F8-Y98 AromaticContact CZ-CE1 3.53Å; F8-Y98 HydrophobicContact CZ-CE1 3.53Å; F8-Y98 AromaticContact CZ-CZ 3.88Å; F8-Y98 VanDerWaalsContact CZ-OH 3.3Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.35Å; R96-Y98 HydrophobicContact CG-CD1 4.26Å; Y98-Y112 CarbonylContact C-O 3.57Å; Y98-Y112 WeakPolarHBondContact CA-O 3.38Å; Y98-Y112 VanDerWaalsContact CB-O 3.23Å; Y98-Y112 WeakPolarHBondContact CB-O 3.25Å; Y98-Y158 AromaticContact CD2-CE1 3.81Å; Y98-Y158 HydrophobicContact CD2-CE1 3.81Å; Y98-Y158 AromaticContact CE2-CE1 3.76Å; Y98-Y158 HydrophobicContact CE2-CE1 3.76Å; Y98-Y158 AromaticContact CE2-CZ 3.95Å
99G98.7Very high96.7Very high1 Ų148.9 Ų48.91%0.0127%0.267CS..EExtended strand (participates in β ladder)trans156.8-174.1-17900000113.4M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.58Å; M4-G99 WeakPolarHBondContact O-CA 3.19Å; G99-G111 CarbonylContact O-C 3.6Å; G99-G111 WeakPolarHBondContact O-CA 3.49Å; G99-Y112 PolarHBondContact N-O 3.18Å; G99-Y112 PolarHBondContact O-N 2.98Å; G99-L159 WeakPolarHBondContact O-CD2 3.33Å
100C98.8Very high96.9Very high0 Ų048.9 Ų48.90%025%0.248CC..EExtended strand (participates in β ladder)trans-134.1149.9-173.4530000111.2S3 M4 F108 R110 C163 V164S3-C100 WeakPolarHBondContact CA-O 3.43Å; M4-C100 PolarHBondContact N-O 3.04Å; M4-C100 PolarHBondContact O-N 3.23Å; C100-F108 HydrophobicContact CB-CD2 4.43Å; C100-F108 HydrophobicContact CB-CE2 4.21Å; C100-R110 CarbonylContact C-O 3.59Å; C100-R110 WeakPolarHBondContact CA-O 3.12Å; C100-C163 HydrophobicContact CB-CB 3.89Å; C100-C163 WeakPolarHBondContact CB-SG 3.32Å; C100-C163 PolarHBondContact N-SG 3.49Å; C100-C163 WeakPolarHBondContact SG-CB 3.43Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.92Å; C100-V164 HydrophobicContact CB-CG2 4.37Å
101D98.6Very high97.1Very high27 Ų2748 Ų4814%0.14424%0.239CC..EExtended strand (participates in β ladder)trans-111.9140.8171-59.4-13.1000109.1H2 S3 R5 L109 R110 Y112H2-D101 WeakPolarHBondContact O-CA 3.35Å; S3-D101 WeakPolarHBondContact CB-OD1 3.2Å; R5-D101 IonicContact CZ-OD1 2.8Å; R5-D101 IonicContact NE-OD1 3.38Å; R5-D101 PolarHBondContact NE-OD1 2.88Å; R5-D101 IonicContact NH2-OD1 3.49Å; R5-D101 PolarHBondContact NH2-OD1 2.84Å; R5-D101 IonicContact NH2-OD2 3.55Å; R5-D101 PolarHBondContact NH2-OD2 3.18Å; D101-L109 HydrophobicContact CB-CB 4.43Å; D101-L109 PolarHBondContact O-N 2.87Å; D101-R110 HydrophobicContact CB-CB 4.47Å; D101-R110 PolarHBondContact N-O 2.85Å; D101-R110 PolarHBondContact O-N 2.85Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.31Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.3Å; D101-Y112 PolarHBondContact OD2-OH 2.88Å
102V98.2Very high97.1Very high0 Ų046.5 Ų46.50%022%0.222CC..EExtended strand (participates in β ladder)trans-124.9145.5175.9-60.10000111.6S1 H2 W106 R107 V164 L167S1-V102 WeakPolarHBondContact CA-O 3.47Å; S1-V102 VanDerWaalsContact CB-O 3.26Å; S1-V102 WeakPolarHBondContact CB-O 3.35Å; H2-V102 HydrophobicContact CB-CG2 4.08Å; H2-V102 PolarHBondContact N-O 2.9Å; H2-V102 PolarHBondContact O-N 3.46Å; V102-W106 HydrophobicContact CG2-CE3 4.5Å; V102-R107 CarbonylContact C-O 3.59Å; V102-R107 WeakPolarHBondContact CA-O 3.12Å; V102-R107 WeakPolarHBondContact CB-O 3.44Å; V102-V164 HydrophobicContact CG1-CB 4.4Å; V102-V164 HydrophobicContact CG1-CG1 3.94Å; V102-V164 HydrophobicContact CG1-CG2 3.94Å; V102-L167 HydrophobicContact CB-CD2 4.46Å; V102-L167 HydrophobicContact CG1-CD2 4.01Å; V102-L167 HydrophobicContact CG2-CD2 3.72Å; V102-L167 HydrophobicContact CG2-CG 4.36Å
103G96.1Very high97.1Very high7 Ų745.9 Ų45.97%0.07222%0.22CC..  trans-71174.4176.400000112.3D105 W106 R107G103-D105 PolarHBondContact O-N 3.38Å; G103-W106 WeakPolarHBondContact O-CA 3.22Å; G103-W106 PolarHBondContact O-N 2.83Å; G103-R107 PolarHBondContact N-O 3.15Å
104S91.3Very high97.1Very high107 Ų10747.6 Ų47.675%0.74823%0.225SC*.THydrogen-bonded Turntrans-63.1-21170.848.60000112.9
105D92.1Very high97.1Very high82 Ų8248.7 Ų48.744%0.43923%0.23SC..THydrogen-bonded Turntrans-86.69171.771.1-17.5000113.2G103 R107G103-D105 PolarHBondContact O-N 3.38Å; D105-R107 PolarHBondContact O-N 3.19Å; D105-R107 VanDerWaalsContact O-N 3.16Å; D105-R107 WeakPolarHBondContact OD1-CB 3.39Å; D105-R107 PolarHBondContact OD1-N 2.9Å; D105-R107 VanDerWaalsContact OD1-N 3.11Å; D105-R107 WeakPolarHBondContact OD2-CD 3.43Å; D105-R107 VanDerWaalsContact OD2-CG 3.3Å; D105-R107 WeakPolarHBondContact OD2-CG 3.45Å; D105-R107 IonicContact OD2-NE 3.6Å
106W90Very high97.1Very high87 Ų8745.8 Ų45.833%0.3322%0.218SC..  trans65.57.2-179.4-49.496.6000114.9V102 G103 R168 L171V102-W106 HydrophobicContact CG2-CE3 4.5Å; G103-W106 WeakPolarHBondContact O-CA 3.22Å; G103-W106 PolarHBondContact O-N 2.83Å; W106-R168 HydrophobicContact CB-CG 4.48Å; W106-R168 HydrophobicContact CE3-CG 4.18Å; W106-R168 VanDerWaalsContact O-CZ 3.32Å; W106-R168 PolarHBondContact O-NE 3.33Å; W106-R168 VanDerWaalsContact O-NE 3.12Å; W106-R168 PolarHBondContact O-NH2 2.9Å; W106-L171 HydrophobicContact CE3-CD1 4.33Å; W106-L171 HydrophobicContact CH2-CB 4.17Å; W106-L171 HydrophobicContact CH2-CD1 4.3Å; W106-L171 HydrophobicContact CZ3-CB 3.85Å; W106-L171 HydrophobicContact CZ3-CD1 3.47Å; W106-L171 VanDerWaalsContact CZ3-CD1 3.47Å; W106-L171 HydrophobicContact CZ3-CG 4.21Å
107R95.4Very high97.2Very high171 Ų17145.2 Ų45.265%0.64522%0.216SC*.  trans-81.2148.5179.9-64.2-171.7-176.4175.4-1.8110.8V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.59Å; V102-R107 WeakPolarHBondContact CA-O 3.12Å; V102-R107 WeakPolarHBondContact CB-O 3.44Å; G103-R107 PolarHBondContact N-O 3.15Å; D105-R107 PolarHBondContact O-N 3.19Å; D105-R107 VanDerWaalsContact O-N 3.16Å; D105-R107 WeakPolarHBondContact OD1-CB 3.39Å; D105-R107 PolarHBondContact OD1-N 2.9Å; D105-R107 VanDerWaalsContact OD1-N 3.11Å; D105-R107 WeakPolarHBondContact OD2-CD 3.43Å; D105-R107 VanDerWaalsContact OD2-CG 3.3Å; D105-R107 WeakPolarHBondContact OD2-CG 3.45Å; D105-R107 IonicContact OD2-NE 3.6Å; R107-L109 PolarHBondContact O-N 2.87Å
108F98Very high97.1Very high60 Ų6047.1 Ų47.126%0.26323%0.227SC..EExtended strand (participates in β ladder)trans-55126.4173.4178.3-96.3000110.3C100 R110 L129 L159 E160 V164C100-F108 HydrophobicContact CB-CD2 4.43Å; C100-F108 HydrophobicContact CB-CE2 4.21Å; F108-R110 VanDerWaalsContact CE2-C 3.45Å; F108-R110 WeakPolarHBondContact CE2-O 3.32Å; F108-L129 HydrophobicContact CE1-CD1 4.04Å; F108-L129 HydrophobicContact CZ-CD1 3.69Å; F108-L159 HydrophobicContact CE2-CB 4.42Å; F108-E160 HydrophobicContact CD1-CG 4.3Å; F108-E160 HydrophobicContact CE1-CG 4.23Å; F108-E160 HydrophobicContact CE2-CG 4.48Å; F108-E160 HydrophobicContact CG-CG 4.46Å; F108-E160 HydrophobicContact CZ-CG 4.33Å; F108-V164 HydrophobicContact CB-CG2 4.15Å; F108-V164 HydrophobicContact CD2-CG2 3.8Å; F108-V164 HydrophobicContact CG-CG2 4.47Å
109L97.6Very high97.1Very high102 Ų10248.9 Ų48.953%0.53425%0.252SS..EExtended strand (participates in β ladder)trans-104.8-50.6173.9-67.8-179.9000111.2D101 R107D101-L109 HydrophobicContact CB-CB 4.43Å; D101-L109 PolarHBondContact O-N 2.87Å; R107-L109 PolarHBondContact O-N 2.87Å
110R97.7Very high97.1Very high88 Ų8856.3 Ų56.333%0.33228%0.284SS..EExtended strand (participates in β ladder)trans-155.3150.2-172.1-171.8163.5171143.7-1.4111.5C100 D101 F108 Y112 E127C100-R110 CarbonylContact C-O 3.59Å; C100-R110 WeakPolarHBondContact CA-O 3.12Å; D101-R110 HydrophobicContact CB-CB 4.47Å; D101-R110 PolarHBondContact N-O 2.85Å; D101-R110 PolarHBondContact O-N 2.85Å; F108-R110 VanDerWaalsContact CE2-C 3.45Å; F108-R110 WeakPolarHBondContact CE2-O 3.32Å; R110-Y112 HydrophobicContact CB-CE2 4.2Å; R110-Y112 VanDerWaalsContact CD-OH 3.29Å; R110-Y112 WeakPolarHBondContact CD-OH 3.38Å; R110-Y112 HydrophobicContact CG-CE1 4.22Å; R110-Y112 HydrophobicContact CG-CE2 3.87Å; R110-E127 IonicContact CZ-OE1 2.69Å; R110-E127 IonicContact CZ-OE2 3.61Å; R110-E127 IonicContact NE-OE1 3.43Å; R110-E127 IonicContact NH1-OE1 3.83Å; R110-E127 PolarHBondContact NH1-OE1 3.32Å; R110-E127 IonicContact NH1-OE2 2.84Å; R110-E127 PolarHBondContact NH1-OE2 3.17Å; R110-E127 IonicContact NH2-OE2 2.76Å
111G98.3Very high97.1Very high4 Ų462.3 Ų62.34%0.04132%0.316CS..EExtended strand (participates in β ladder)trans-12615017700000110.3G99G99-G111 CarbonylContact O-C 3.6Å; G99-G111 WeakPolarHBondContact O-CA 3.49Å
112Y98.6Very high97.1Very high41 Ų4161.5 Ų61.516%0.16131%0.311CS..EExtended strand (participates in β ladder)trans-131.1141.3-177.3-54.2-96.3000109.6R5 M97 Y98 G99 D101 R110R5-Y112 VanDerWaalsContact NH2-CZ 3.35Å; M97-Y112 HydrophobicContact CE-CD1 4.17Å; M97-Y112 HydrophobicContact CE-CG 4.16Å; M97-Y112 HydrophobicContact SD-CG 4.44Å; Y98-Y112 CarbonylContact C-O 3.57Å; Y98-Y112 WeakPolarHBondContact CA-O 3.38Å; Y98-Y112 VanDerWaalsContact CB-O 3.23Å; Y98-Y112 WeakPolarHBondContact CB-O 3.25Å; G99-Y112 PolarHBondContact N-O 3.18Å; G99-Y112 PolarHBondContact O-N 2.98Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.31Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.3Å; D101-Y112 PolarHBondContact OD2-OH 2.88Å; R110-Y112 HydrophobicContact CB-CE2 4.2Å; R110-Y112 VanDerWaalsContact CD-OH 3.29Å; R110-Y112 WeakPolarHBondContact CD-OH 3.38Å; R110-Y112 HydrophobicContact CG-CE1 4.22Å; R110-Y112 HydrophobicContact CG-CE2 3.87Å
113H98.6Very high97.1Very high5 Ų561.7 Ų61.72%0.02331%0.312CS..EExtended strand (participates in β ladder)trans-159101.7168.6-177-88.4000109.2R96 M97 Y115 L125 W132 W146 L155R96-H113 VanDerWaalsContact CZ-NE2 3.31Å; R96-H113 PolarHBondContact NE-NE2 3.11Å; R96-H113 VanDerWaalsContact NE-NE2 3.15Å; R96-H113 PolarHBondContact NH2-CD2 2.83Å; R96-H113 VanDerWaalsContact NH2-CD2 3.31Å; R96-H113 PolarHBondContact NH2-NE2 2.91Å; M97-H113 WeakPolarHBondContact O-CA 3.15Å; H113-Y115 AromaticContact CE1-CE2 3.43Å; H113-Y115 VanDerWaalsContact CE1-CE2 3.43Å; H113-Y115 WeakPolarHBondContact CE1-CE2 3.22Å; H113-Y115 AromaticContact NE2-CE2 3.86Å; H113-L125 HydrophobicContact CB-CB 3.98Å; H113-L125 HydrophobicContact CB-CD2 4.14Å; H113-L125 WeakPolarHBondContact O-CB 3.43Å; H113-L125 PolarHBondContact O-N 3.03Å; H113-W132 AromaticContact ND1-CH2 3.64Å; H113-W132 AromaticContact ND1-CZ3 3.73Å; H113-W146 AromaticContact CE1-CH2 3.87Å; H113-W146 AromaticContact CE1-CZ3 3.94Å; H113-L155 HydrophobicContact CB-CD1 4.27Å; H113-L155 VanDerWaalsContact CE1-CD1 3.48Å; H113-L155 WeakPolarHBondContact CE1-CD1 3.23Å; H113-L155 WeakPolarHBondContact ND1-CD1 3.46Å
114Q98.7Very high97.3Very high71 Ų7162.8 Ų62.833%0.33232%0.32SS..EExtended strand (participates in β ladder)trans-140.1147.6-172.363.1-166.156.300111.9R96 M97 I123 A124R96-Q114 WeakPolarHBondContact CA-O 3.31Å; M97-Q114 HydrophobicContact CB-CG 4.15Å; M97-Q114 VanDerWaalsContact CE-CD 3.41Å; M97-Q114 HydrophobicContact CE-CG 3.93Å; M97-Q114 PolarHBondContact N-O 2.92Å; M97-Q114 PolarHBondContact O-N 2.82Å; Q114-I123 CarbonylContact C-O 3.56Å; Q114-I123 WeakPolarHBondContact CA-O 3.35Å; Q114-A124 HydrophobicContact CB-CB 3.83Å
115Y98.7Very high97.6Very high24 Ų2458.4 Ų58.49%0.09429%0.288CS..EExtended strand (participates in β ladder)trans-121.1146.9176.6-74.1-108.1000110.6V94 Q95 R96 H113 Y122 I123 W146V94-Y115 HydrophobicContact CG1-CD1 4.02Å; V94-Y115 HydrophobicContact CG1-CE1 4.45Å; Q95-Y115 CarbonylContact O-C 3.51Å; Q95-Y115 WeakPolarHBondContact O-CA 3.4Å; R96-Y115 HydrophobicContact CB-CD1 3.93Å; R96-Y115 HydrophobicContact CB-CE1 3.79Å; R96-Y115 HydrophobicContact CB-CE2 4.41Å; R96-Y115 HydrophobicContact CB-CG 4.34Å; R96-Y115 WeakPolarHBondContact CD-OH 3.11Å; R96-Y115 HydrophobicContact CG-CD1 4.2Å; R96-Y115 HydrophobicContact CG-CD2 4.04Å; R96-Y115 HydrophobicContact CG-CE1 3.86Å; R96-Y115 HydrophobicContact CG-CE2 3.64Å; R96-Y115 HydrophobicContact CG-CG 4.31Å; R96-Y115 PolarHBondContact NE-OH 3.44Å; R96-Y115 VanDerWaalsContact NE-OH 3.15Å; H113-Y115 AromaticContact CE1-CE2 3.43Å; H113-Y115 VanDerWaalsContact CE1-CE2 3.43Å; H113-Y115 WeakPolarHBondContact CE1-CE2 3.22Å; H113-Y115 AromaticContact NE2-CE2 3.86Å; Y115-Y122 WeakPolarHBondContact O-CB 3.38Å; Y115-Y122 PolarHBondContact O-N 3.25Å; Y115-I123 HydrophobicContact CD2-CG2 4.36Å; Y115-I123 PolarHBondContact N-O 3.38Å; Y115-I123 PolarHBondContact O-N 3.15Å; Y115-W146 AromaticContact CD2-CH2 3.86Å; Y115-W146 HydrophobicContact CD2-CH2 3.86Å; Y115-W146 AromaticContact CE2-CH2 3.54Å; Y115-W146 HydrophobicContact CE2-CH2 3.54Å; Y115-W146 HydrophobicContact CE2-CZ2 4.36Å; Y115-W146 HydrophobicContact CE2-CZ3 4.44Å
116A98.8Very high97.9Very high16 Ų1659 Ų5913%0.13229%0.287CS..EExtended strand (participates in β ladder)trans-124.6148167.400000110.2Q95 K120Q95-A116 HydrophobicContact CB-CB 4.3Å; Q95-A116 PolarHBondContact N-O 3Å; Q95-A116 PolarHBondContact O-N 2.76Å; A116-K120 CarbonylContact C-O 3.6Å; A116-K120 WeakPolarHBondContact CA-O 3.41Å; A116-K120 VanDerWaalsContact CB-O 3.22Å; A116-K120 WeakPolarHBondContact CB-O 3.43Å
117Y98.8Very high98.3Very high11 Ų1160.7 Ų60.74%0.04330%0.298CS..EExtended strand (participates in β ladder)trans-125.2126.7175.4-174.3-121.3000109.7L77 L80 Y84 Q86 H92 T93 V94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.36Å; L80-Y117 HydrophobicContact CB-CD1 4.4Å; L80-Y117 HydrophobicContact CB-CD2 4.12Å; L80-Y117 HydrophobicContact CB-CE1 4.07Å; L80-Y117 HydrophobicContact CB-CE2 3.78Å; L80-Y117 HydrophobicContact CB-CG 4.41Å; L80-Y117 HydrophobicContact CD1-CD2 3.63Å; L80-Y117 HydrophobicContact CD1-CE2 4Å; L80-Y117 HydrophobicContact CD1-CG 4.09Å; L80-Y117 HydrophobicContact CG-CD2 4.41Å; Y84-Y117 AromaticContact CD2-CD1 3.65Å; Y84-Y117 HydrophobicContact CD2-CD1 3.65Å; Y84-Y117 AromaticContact CD2-CE1 3.44Å; Y84-Y117 HydrophobicContact CD2-CE1 3.44Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.44Å; Y84-Y117 AromaticContact CE2-CD1 3.43Å; Y84-Y117 HydrophobicContact CE2-CD1 3.43Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.43Å; Y84-Y117 AromaticContact CE2-CE1 3.77Å; Y84-Y117 HydrophobicContact CE2-CE1 3.77Å; Y84-Y117 HydrophobicContact CE2-CG 4.41Å; Y84-Y117 HydrophobicContact CG-CE1 4.32Å; Q86-Y117 PolarHBondContact OE1-OH 2.82Å; H92-Y117 HydrophobicContact CB-CE2 3.86Å; H92-Y117 WeakPolarHBondContact CB-OH 3.25Å; H92-Y117 VanDerWaalsContact CG-OH 3.25Å; H92-Y117 AromaticContact ND1-CZ 3.94Å; H92-Y117 PolarHBondContact ND1-OH 2.71Å; T93-Y117 WeakPolarHBondContact O-CA 3.36Å; T93-Y117 VanDerWaalsContact O-CD2 3.23Å; T93-Y117 WeakPolarHBondContact O-CD2 3.38Å; V94-Y117 HydrophobicContact CG2-CD2 3.77Å; V94-Y117 HydrophobicContact CG2-CE2 4.13Å; Y117-G119 PolarHBondContact O-N 3.16Å; Y117-K120 PolarHBondContact N-O 3.32Å; Y117-K120 PolarHBondContact O-N 2.98Å
118D98.4Very high98.4Very high64 Ų6456.3 Ų56.334%0.34229%0.288SS..THydrogen-bonded Turntrans48.841.2-175.1-65.8-20.7000113.3H92 T93 K120H92-D118 WeakPolarHBondContact CA-OD1 3.27Å; H92-D118 WeakPolarHBondContact CB-OD1 3.45Å; H92-D118 IonicContact CE1-OD2 3.67Å; H92-D118 IonicContact CG-OD1 2.82Å; H92-D118 IonicContact CG-OD2 3.66Å; H92-D118 IonicContact ND1-OD1 3.64Å; H92-D118 IonicContact ND1-OD2 2.71Å; H92-D118 PolarHBondContact ND1-OD2 3.39Å; T93-D118 PolarHBondContact N-OD1 2.78Å; T93-D118 PolarHBondContact O-N 3.21Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 3.11Å
119G97.8Very high98.4Very high58 Ų5853.6 Ų53.660%0.59828%0.276SS*.THydrogen-bonded Turntrans78.25177.500000115.4Y117Y117-G119 PolarHBondContact O-N 3.16Å
120K98.6Very high98.4Very high158 Ų15856.8 Ų56.869%0.68728%0.281SS*.EExtended strand (participates in β ladder)trans-112.3144.6177.1-62.2-179-177.2177.80110.9A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.6Å; A116-K120 WeakPolarHBondContact CA-O 3.41Å; A116-K120 VanDerWaalsContact CB-O 3.22Å; A116-K120 WeakPolarHBondContact CB-O 3.43Å; Y117-K120 PolarHBondContact N-O 3.32Å; Y117-K120 PolarHBondContact O-N 2.98Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 3.11Å; K120-Y122 PolarHBondContact O-N 3.16Å
121D98.7Very high98.4Very high125 Ų12554 Ų5467%0.66828%0.275SS*.EExtended strand (participates in β ladder)trans-52.3135.2173.4-72.5-20.9000110.8A135D121-A135 HydrophobicContact CB-CB 4.44Å; D121-A135 WeakPolarHBondContact O-CB 3.37Å
122Y98.8Very high98.4Very high11 Ų1153.9 Ų53.94%0.04327%0.273CS..EExtended strand (participates in β ladder)trans-113.5-64.6179.4179.6-110.5000110.5L80 Y84 Y115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.37Å; L80-Y122 HydrophobicContact CD2-CD2 4.1Å; L80-Y122 HydrophobicContact CD2-CE1 3.77Å; L80-Y122 HydrophobicContact CD2-CE2 3.45Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.45Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.39Å; Y84-Y122 HydrophobicContact CE2-CD2 4.43Å; Y84-Y122 HydrophobicContact CE2-CE2 4.16Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.4Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.32Å; Y115-Y122 WeakPolarHBondContact O-CB 3.38Å; Y115-Y122 PolarHBondContact O-N 3.25Å; K120-Y122 PolarHBondContact O-N 3.16Å; Y122-A135 WeakPolarHBondContact O-CB 3.49Å; Y122-A135 PolarHBondContact O-N 3.4Å; Y122-A138 HydrophobicContact CE2-CB 4.39Å; Y122-A138 PolarHBondContact OH-O 2.89Å; Y122-A139 HydrophobicContact CD2-CB 3.81Å; Y122-A139 HydrophobicContact CE1-CB 4.47Å; Y122-A139 VanDerWaalsContact CE2-CA 3.48Å; Y122-A139 HydrophobicContact CE2-CB 3.65Å; Y122-A139 HydrophobicContact CG-CB 4.28Å; Y122-A139 WeakPolarHBondContact O-CB 3.45Å; Y122-T142 HydrophobicContact CE1-CG2 4.17Å; Y122-T142 WeakPolarHBondContact OH-CB 3.38Å; Y122-T142 PolarHBondContact OH-OG1 2.98Å
123I98.8Very high98.4Very high4 Ų455.6 Ų55.62%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-147.9139.6178.7-162.3174.2000110.5Q114 Y115 W132 T133 T142 K143 W146Q114-I123 CarbonylContact C-O 3.56Å; Q114-I123 WeakPolarHBondContact CA-O 3.35Å; Y115-I123 HydrophobicContact CD2-CG2 4.36Å; Y115-I123 PolarHBondContact N-O 3.38Å; Y115-I123 PolarHBondContact O-N 3.15Å; I123-W132 HydrophobicContact CD1-CB 4.29Å; I123-W132 HydrophobicContact CD1-CD2 4.37Å; I123-W132 HydrophobicContact CD1-CE3 4.15Å; I123-W132 HydrophobicContact CD1-CG 4.45Å; I123-W132 HydrophobicContact CG1-CB 4.36Å; I123-W132 HydrophobicContact CG1-CE3 4.01Å; I123-T133 CarbonylContact C-O 3.56Å; I123-T133 WeakPolarHBondContact CA-O 3.42Å; I123-T133 WeakPolarHBondContact CG1-O 3.34Å; I123-T142 HydrophobicContact CD1-CG2 4.14Å; I123-K143 HydrophobicContact CD1-CB 3.88Å; I123-W146 HydrophobicContact CD1-CE3 4.1Å; I123-W146 HydrophobicContact CD1-CZ3 4.35Å; I123-W146 HydrophobicContact CG2-CH2 4.08Å; I123-W146 HydrophobicContact CG2-CZ3 3.82Å
124A98.8Very high98.5Very high30 Ų3056.2 Ų56.225%0.24829%0.294CS..EExtended strand (participates in β ladder)trans-135.2136.7179.600000111.6Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.83Å; A124-W132 WeakPolarHBondContact O-CA 3.22Å; A124-T133 PolarHBondContact N-O 3.12Å; A124-T133 PolarHBondContact O-N 3.13Å
125L98.8Very high98.4Very high15 Ų1555.7 Ų55.78%0.07930%0.302CS..EExtended strand (participates in β ladder)trans-68.7128.4167.9-174.164.8000108.2H113 L129 W132 A152 L155 L159H113-L125 HydrophobicContact CB-CB 3.98Å; H113-L125 HydrophobicContact CB-CD2 4.14Å; H113-L125 WeakPolarHBondContact O-CB 3.43Å; H113-L125 PolarHBondContact O-N 3.03Å; L125-L129 HydrophobicContact CD2-CB 4.41Å; L125-L129 HydrophobicContact CD2-CD2 3.78Å; L125-L129 HydrophobicContact CG-CD2 4.32Å; L125-W132 HydrophobicContact CB-CE3 4.04Å; L125-W132 HydrophobicContact CB-CH2 4.08Å; L125-W132 HydrophobicContact CB-CZ3 3.64Å; L125-W132 HydrophobicContact CD1-CD2 4.21Å; L125-W132 HydrophobicContact CD1-CE3 4.29Å; L125-W132 HydrophobicContact CD1-CH2 4.03Å; L125-W132 HydrophobicContact CD1-CZ2 3.94Å; L125-W132 HydrophobicContact CD1-CZ3 4.19Å; L125-W132 HydrophobicContact CG-CZ3 4.49Å; L125-A152 HydrophobicContact CD1-CB 3.96Å; L125-L155 HydrophobicContact CD2-CB 4.27Å; L125-L155 HydrophobicContact CD2-CD1 4.48Å; L125-L159 HydrophobicContact CD2-CD1 3.97Å
126K98.6Very high98.4Very high93 Ų9357.3 Ų57.340%0.40431%0.312SS..  trans-71.7164.8176.9-63.4-162.9-158.6167.70110.7D128 L129 S131 T133K126-D128 PolarHBondContact O-N 3.12Å; K126-D128 VanDerWaalsContact O-N 3.12Å; K126-L129 PolarHBondContact O-N 2.6Å; K126-S131 WeakPolarHBondContact CB-O 3.3Å; K126-S131 VanDerWaalsContact CD-OG 3.25Å; K126-S131 WeakPolarHBondContact CD-OG 3.49Å; K126-S131 WeakPolarHBondContact CG-O 3.18Å; K126-S131 PolarHBondContact N-O 2.96Å; K126-T133 VanDerWaalsContact CE-OG1 3.26Å; K126-T133 WeakPolarHBondContact CE-OG1 3.31Å; K126-T133 WeakPolarHBondContact CG-OG1 3.37Å
127E97.7Very high98.4Very high123 Ų12363.2 Ų63.258%0.57534%0.339SS*.THydrogen-bonded Turntrans-59.9-21.9179-174.4162.5-154.600113.7R110 L129R110-E127 IonicContact CZ-OE1 2.69Å; R110-E127 IonicContact CZ-OE2 3.61Å; R110-E127 IonicContact NE-OE1 3.43Å; R110-E127 IonicContact NH1-OE1 3.83Å; R110-E127 PolarHBondContact NH1-OE1 3.32Å; R110-E127 IonicContact NH1-OE2 2.84Å; R110-E127 PolarHBondContact NH1-OE2 3.17Å; R110-E127 IonicContact NH2-OE2 2.76Å; E127-L129 PolarHBondContact O-N 3.13Å
128D97.8Very high98.3Very high79 Ų7963.1 Ų63.142%0.42234%0.34SS..THydrogen-bonded Turntrans-69.2-9.6172.467.313.4000114.2K126 R130 S131K126-D128 PolarHBondContact O-N 3.12Å; K126-D128 VanDerWaalsContact O-N 3.12Å; D128-R130 WeakPolarHBondContact O-CG 3.42Å; D128-R130 PolarHBondContact O-N 3.26Å; D128-R130 VanDerWaalsContact O-N 3.15Å; D128-R130 PolarHBondContact OD1-N 3.32Å; D128-S131 PolarHBondContact OD1-N 3.21Å; D128-S131 PolarHBondContact OD1-OG 2.99Å; D128-S131 WeakPolarHBondContact OD2-CB 2.92Å; D128-S131 PolarHBondContact OD2-OG 3.04Å
129L98.2Very high98.3Very high3 Ų360 Ų602%0.01632%0.324CS..SBendtrans53.424.9-174.6-52.7-177.2000114.6F108 L125 K126 E127 R156 L159 E160F108-L129 HydrophobicContact CE1-CD1 4.04Å; F108-L129 HydrophobicContact CZ-CD1 3.69Å; L125-L129 HydrophobicContact CD2-CB 4.41Å; L125-L129 HydrophobicContact CD2-CD2 3.78Å; L125-L129 HydrophobicContact CG-CD2 4.32Å; K126-L129 PolarHBondContact O-N 2.6Å; E127-L129 PolarHBondContact O-N 3.13Å; L129-R156 HydrophobicContact CB-CB 4.09Å; L129-R156 HydrophobicContact CB-CG 3.94Å; L129-R156 HydrophobicContact CD1-CG 3.99Å; L129-L159 HydrophobicContact CD2-CD1 3.98Å; L129-E160 HydrophobicContact CD1-CG 4.02Å
130R97.7Very high98.4Very high169 Ų16960 Ų6064%0.63831%0.308SS*.SBendtrans-130.7-30.9-175.1-69.9174.2-171.3-151.43.9112.4D128 R156D128-R130 WeakPolarHBondContact O-CG 3.42Å; D128-R130 PolarHBondContact O-N 3.26Å; D128-R130 VanDerWaalsContact O-N 3.15Å; D128-R130 PolarHBondContact OD1-N 3.32Å; R130-R156 VanDerWaalsContact NH2-NH1 3.16Å
131S97.9Very high98.4Very high30 Ų3055.4 Ų55.421%0.2129%0.29CS..  trans-121.3162.2-174.774.30000112.5K126 D128K126-S131 WeakPolarHBondContact CB-O 3.3Å; K126-S131 VanDerWaalsContact CD-OG 3.25Å; K126-S131 WeakPolarHBondContact CD-OG 3.49Å; K126-S131 WeakPolarHBondContact CG-O 3.18Å; K126-S131 PolarHBondContact N-O 2.96Å; D128-S131 PolarHBondContact OD1-N 3.21Å; D128-S131 PolarHBondContact OD1-OG 2.99Å; D128-S131 WeakPolarHBondContact OD2-CB 2.92Å; D128-S131 PolarHBondContact OD2-OG 3.04Å
132W98.8Very high98.4Very high2 Ų250.3 Ų50.31%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-117.6139.9-173.7-59.994.3000112H113 I123 A124 L125 K143 W146 V151 A152 L155H113-W132 AromaticContact ND1-CH2 3.64Å; H113-W132 AromaticContact ND1-CZ3 3.73Å; I123-W132 HydrophobicContact CD1-CB 4.29Å; I123-W132 HydrophobicContact CD1-CD2 4.37Å; I123-W132 HydrophobicContact CD1-CE3 4.15Å; I123-W132 HydrophobicContact CD1-CG 4.45Å; I123-W132 HydrophobicContact CG1-CB 4.36Å; I123-W132 HydrophobicContact CG1-CE3 4.01Å; A124-W132 WeakPolarHBondContact O-CA 3.22Å; L125-W132 HydrophobicContact CB-CE3 4.04Å; L125-W132 HydrophobicContact CB-CH2 4.08Å; L125-W132 HydrophobicContact CB-CZ3 3.64Å; L125-W132 HydrophobicContact CD1-CD2 4.21Å; L125-W132 HydrophobicContact CD1-CE3 4.29Å; L125-W132 HydrophobicContact CD1-CH2 4.03Å; L125-W132 HydrophobicContact CD1-CZ2 3.94Å; L125-W132 HydrophobicContact CD1-CZ3 4.19Å; L125-W132 HydrophobicContact CG-CZ3 4.49Å; W132-K143 HydrophobicContact CB-CD 4.07Å; W132-K143 HydrophobicContact CB-CG 4.01Å; W132-K143 PolarHBondContact O-NZ 3.03Å; W132-K143 VanDerWaalsContact O-NZ 3.08Å; W132-W146 AromaticContact CD2-CE3 3.99Å; W132-W146 HydrophobicContact CD2-CE3 3.99Å; W132-W146 AromaticContact CE2-CE3 3.77Å; W132-W146 AromaticContact CE3-CE3 3.83Å; W132-W146 HydrophobicContact CE3-CE3 3.83Å; W132-W146 AromaticContact CE3-CZ3 3.93Å; W132-W146 HydrophobicContact CE3-CZ3 3.93Å; W132-W146 HydrophobicContact CH2-CD2 4.41Å; W132-W146 AromaticContact CH2-CE3 3.22Å; W132-W146 HydrophobicContact CH2-CE3 3.22Å; W132-W146 HydrophobicContact CH2-CH2 4.46Å; W132-W146 AromaticContact CH2-CZ3 3.27Å; W132-W146 HydrophobicContact CH2-CZ3 3.27Å; W132-W146 HydrophobicContact CZ2-CD2 4.33Å; W132-W146 AromaticContact CZ2-CE3 3.4Å; W132-W146 HydrophobicContact CZ2-CE3 3.4Å; W132-W146 AromaticContact CZ2-CZ3 3.97Å; W132-W146 HydrophobicContact CZ2-CZ3 3.97Å; W132-W146 AromaticContact CZ3-CE3 3.47Å; W132-W146 HydrophobicContact CZ3-CE3 3.47Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.47Å; W132-W146 AromaticContact CZ3-CZ3 3.26Å; W132-W146 HydrophobicContact CZ3-CZ3 3.26Å; W132-V151 HydrophobicContact CZ2-CB 4.36Å; W132-V151 HydrophobicContact CZ2-CG1 4.13Å; W132-A152 HydrophobicContact CZ2-CB 4.21Å; W132-L155 HydrophobicContact CH2-CD1 3.41Å; W132-L155 VanDerWaalsContact CH2-CD1 3.41Å; W132-L155 HydrophobicContact CZ2-CD1 3.87Å
133T98.7Very high98.4Very high77 Ų7751.7 Ų51.747%0.47227%0.27SS..EExtended strand (participates in β ladder)trans-98.4121.9162.8-60.10000108.3I123 A124 K126I123-T133 CarbonylContact C-O 3.56Å; I123-T133 WeakPolarHBondContact CA-O 3.42Å; I123-T133 WeakPolarHBondContact CG1-O 3.34Å; A124-T133 PolarHBondContact N-O 3.12Å; A124-T133 PolarHBondContact O-N 3.13Å; K126-T133 VanDerWaalsContact CE-OG1 3.26Å; K126-T133 WeakPolarHBondContact CE-OG1 3.31Å; K126-T133 WeakPolarHBondContact CG-OG1 3.37Å
134A98.7Very high98.4Very high17 Ų1759 Ų5914%0.1430%0.297CS..EExtended strand (participates in β ladder)trans-109.3131.817600000108.8A139 Q140 K143A134-A139 HydrophobicContact CB-CB 3.69Å; A134-Q140 HydrophobicContact CB-CG 4.24Å; A134-K143 HydrophobicContact CB-CB 4.31Å; A134-K143 HydrophobicContact CB-CD 4.21Å
135A98.4Very high98.3Very high61 Ų6163.1 Ų63.150%0.50431%0.31SS..SBendtrans-74.5-32.3-172.200000113.4D121 Y122D121-A135 HydrophobicContact CB-CB 4.44Å; D121-A135 WeakPolarHBondContact O-CB 3.37Å; Y122-A135 WeakPolarHBondContact O-CB 3.49Å; Y122-A135 PolarHBondContact O-N 3.4Å
136D98.3Very high98.3Very high58 Ų5864.9 Ų64.931%0.3132%0.315SS..SBendtrans-150.9-175.8-177.865.328000112.5Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.41Å; Y84-D136 VanDerWaalsContact OH-CG 3.26Å; Y84-D136 PolarHBondContact OH-OD1 2.91Å; Y84-D136 PolarHBondContact OH-OD2 3.14Å; D136-A138 VanDerWaalsContact C-N 3.29Å; D136-A138 PolarHBondContact O-N 3.4Å; D136-A138 WeakPolarHBondContact OD1-CA 3.28Å; D136-A138 WeakPolarHBondContact OD1-CB 3.45Å; D136-A138 PolarHBondContact OD1-N 3.35Å; D136-A139 PolarHBondContact O-N 3.19Å; D136-A139 PolarHBondContact OD1-N 2.94Å; D136-Q140 WeakPolarHBondContact O-CG 3.39Å; D136-Q140 PolarHBondContact O-N 2.84Å
137M97.9Very high98.3Very high140 Ų14064.6 Ų64.669%0.6932%0.315SS*.Hα-helixtrans-64-29.4-179.4-69.2-57.8-63.100114Q140M137-Q140 PolarHBondContact O-N 3.25Å; M137-Q140 HydrophobicContact SD-CG 4.48Å
138A97.9Very high98.4Very high8 Ų862.6 Ų62.67%0.06632%0.32CS..Hα-helixtrans-71.4-41.8175.200000110.5Y83 Y84 Y122 D136 Q140 I141Y83-A138 HydrophobicContact CD2-CB 4.44Å; Y84-A138 HydrophobicContact CD1-CB 4.22Å; Y84-A138 HydrophobicContact CD2-CB 4.45Å; Y84-A138 HydrophobicContact CE1-CB 3.65Å; Y84-A138 HydrophobicContact CE2-CB 3.9Å; Y84-A138 VanDerWaalsContact CZ-CB 3.48Å; Y122-A138 HydrophobicContact CE2-CB 4.39Å; Y122-A138 PolarHBondContact OH-O 2.89Å; D136-A138 VanDerWaalsContact C-N 3.29Å; D136-A138 PolarHBondContact O-N 3.4Å; D136-A138 WeakPolarHBondContact OD1-CA 3.28Å; D136-A138 WeakPolarHBondContact OD1-CB 3.45Å; D136-A138 PolarHBondContact OD1-N 3.35Å; A138-Q140 VanDerWaalsContact C-N 3.28Å; A138-Q140 PolarHBondContact O-N 2.9Å; A138-I141 WeakPolarHBondContact O-CB 3.42Å; A138-I141 PolarHBondContact O-N 3.49Å; A138-I141 VanDerWaalsContact O-N 3.16Å
139A98.5Very high98.4Very high0 Ų061.6 Ų61.60%032%0.323CS..Hα-helixtrans-63.9-31.4173.300000113Y122 A134 D136 I141 T142 K143Y122-A139 HydrophobicContact CD2-CB 3.81Å; Y122-A139 HydrophobicContact CE1-CB 4.47Å; Y122-A139 VanDerWaalsContact CE2-CA 3.48Å; Y122-A139 HydrophobicContact CE2-CB 3.65Å; Y122-A139 HydrophobicContact CG-CB 4.28Å; Y122-A139 WeakPolarHBondContact O-CB 3.45Å; A134-A139 HydrophobicContact CB-CB 3.69Å; D136-A139 PolarHBondContact O-N 3.19Å; D136-A139 PolarHBondContact OD1-N 2.94Å; A139-I141 PolarHBondContact O-N 2.79Å; A139-T142 PolarHBondContact O-N 2.91Å; A139-K143 PolarHBondContact O-N 3.36Å
140Q98.7Very high98.4Very high56 Ų5666.6 Ų66.626%0.26235%0.346SS..Hα-helixtrans-61.1-31173.7-68.2-68.7-17.400112.5A134 D136 M137 A138 K143 R144A134-Q140 HydrophobicContact CB-CG 4.24Å; D136-Q140 WeakPolarHBondContact O-CG 3.39Å; D136-Q140 PolarHBondContact O-N 2.84Å; M137-Q140 PolarHBondContact O-N 3.25Å; M137-Q140 HydrophobicContact SD-CG 4.48Å; A138-Q140 VanDerWaalsContact C-N 3.28Å; A138-Q140 PolarHBondContact O-N 2.9Å; Q140-K143 PolarHBondContact O-N 2.68Å; Q140-R144 WeakPolarHBondContact O-CG 3.43Å; Q140-R144 PolarHBondContact O-N 3.37Å
141I98.4Very high98.4Very high63 Ų6359.9 Ų59.932%0.32332%0.323SS..Hα-helixtrans-64.7-47.2175.4-57.7170.5000109.8Y83 A138 A139 R144 K145Y83-I141 HydrophobicContact CD1-CD1 4.09Å; Y83-I141 HydrophobicContact CE1-CD1 4.25Å; Y83-I141 HydrophobicContact CE1-CG2 3.99Å; Y83-I141 HydrophobicContact CE2-CB 4.21Å; Y83-I141 HydrophobicContact CE2-CG2 4.17Å; Y83-I141 HydrophobicContact CG-CD1 4.28Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.38Å; A138-I141 WeakPolarHBondContact O-CB 3.42Å; A138-I141 PolarHBondContact O-N 3.49Å; A138-I141 VanDerWaalsContact O-N 3.16Å; A139-I141 PolarHBondContact O-N 2.79Å; I141-R144 PolarHBondContact O-N 2.85Å; I141-K145 WeakPolarHBondContact O-CG 3.42Å; I141-K145 PolarHBondContact O-N 2.89Å
142T98.4Very high98.4Very high17 Ų1758.9 Ų58.910%0.10432%0.317CS..Hα-helixtrans-64.1-42.9176.7-65.20000111.6Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.17Å; Y122-T142 WeakPolarHBondContact OH-CB 3.38Å; Y122-T142 PolarHBondContact OH-OG1 2.98Å; I123-T142 HydrophobicContact CD1-CG2 4.14Å; A139-T142 PolarHBondContact O-N 2.91Å; T142-R144 PolarHBondContact O-N 3.29Å; T142-K145 WeakPolarHBondContact O-CB 3.36Å; T142-K145 PolarHBondContact O-N 3.06Å; T142-K145 VanDerWaalsContact O-N 3.14Å; T142-W146 HydrophobicContact CG2-CD2 3.95Å; T142-W146 HydrophobicContact CG2-CE3 4.47Å; T142-W146 HydrophobicContact CG2-CG 4.25Å; T142-W146 HydrophobicContact CG2-CZ2 4.07Å; T142-W146 PolarHBondContact O-N 3.06Å
143K98.7Very high98.4Very high41 Ų4164.8 Ų64.818%0.17834%0.344CS..Hα-helixtrans-52.9-51.2174.9175.8172.6174.1175.70111.9I123 W132 A134 A139 Q140 K145 W146 E147I123-K143 HydrophobicContact CD1-CB 3.88Å; W132-K143 HydrophobicContact CB-CD 4.07Å; W132-K143 HydrophobicContact CB-CG 4.01Å; W132-K143 PolarHBondContact O-NZ 3.03Å; W132-K143 VanDerWaalsContact O-NZ 3.08Å; A134-K143 HydrophobicContact CB-CB 4.31Å; A134-K143 HydrophobicContact CB-CD 4.21Å; A139-K143 PolarHBondContact O-N 3.36Å; Q140-K143 PolarHBondContact O-N 2.68Å; K143-K145 VanDerWaalsContact C-N 3.31Å; K143-K145 PolarHBondContact O-N 3.03Å; K143-W146 PolarHBondContact O-N 3.3Å; K143-E147 WeakPolarHBondContact CE-OE1 3.24Å; K143-E147 HydrophobicContact CG-CG 4.31Å; K143-E147 IonicContact NZ-OE1 3.69Å; K143-E147 WeakPolarHBondContact O-CB 3.22Å; K143-E147 WeakPolarHBondContact O-CG 3.47Å; K143-E147 PolarHBondContact O-N 3.12Å
144R98.7Very high98.3Very high156 Ų15667.8 Ų67.859%0.58935%0.353SS*.Hα-helixtrans-59.3-41.3178.7-69.8170.6-169.7162.13.2112.3Q140 I141 T142 A148Q140-R144 WeakPolarHBondContact O-CG 3.43Å; Q140-R144 PolarHBondContact O-N 3.37Å; I141-R144 PolarHBondContact O-N 2.85Å; T142-R144 PolarHBondContact O-N 3.29Å; R144-A148 WeakPolarHBondContact O-CB 3.48Å; R144-A148 PolarHBondContact O-N 3.19Å
145K98.4Very high98.3Very high118 Ų11868 Ų6851%0.51335%0.352SS..Hα-helixtrans-63.3-44.5176.5-71.2178174.6-176.80111.5Y83 I141 T142 K143 A148 A149Y83-K145 PolarHBondContact OH-NZ 3.35Å; I141-K145 WeakPolarHBondContact O-CG 3.42Å; I141-K145 PolarHBondContact O-N 2.89Å; T142-K145 WeakPolarHBondContact O-CB 3.36Å; T142-K145 PolarHBondContact O-N 3.06Å; T142-K145 VanDerWaalsContact O-N 3.14Å; K143-K145 VanDerWaalsContact C-N 3.31Å; K143-K145 PolarHBondContact O-N 3.03Å; K145-A148 PolarHBondContact O-N 3.44Å; K145-A149 WeakPolarHBondContact O-CB 3.42Å; K145-A149 PolarHBondContact O-N 3.5Å
146W98.4Very high98.3Very high51 Ų5168.7 Ų68.719%0.19334%0.341CS..Hα-helixtrans-72.1-34.5-178.3-7610.9000113.2H113 Y115 I123 W132 T142 K143 A149 H150 V151H113-W146 AromaticContact CE1-CH2 3.87Å; H113-W146 AromaticContact CE1-CZ3 3.94Å; Y115-W146 AromaticContact CD2-CH2 3.86Å; Y115-W146 HydrophobicContact CD2-CH2 3.86Å; Y115-W146 AromaticContact CE2-CH2 3.54Å; Y115-W146 HydrophobicContact CE2-CH2 3.54Å; Y115-W146 HydrophobicContact CE2-CZ2 4.36Å; Y115-W146 HydrophobicContact CE2-CZ3 4.44Å; I123-W146 HydrophobicContact CD1-CE3 4.1Å; I123-W146 HydrophobicContact CD1-CZ3 4.35Å; I123-W146 HydrophobicContact CG2-CH2 4.08Å; I123-W146 HydrophobicContact CG2-CZ3 3.82Å; W132-W146 AromaticContact CD2-CE3 3.99Å; W132-W146 HydrophobicContact CD2-CE3 3.99Å; W132-W146 AromaticContact CE2-CE3 3.77Å; W132-W146 AromaticContact CE3-CE3 3.83Å; W132-W146 HydrophobicContact CE3-CE3 3.83Å; W132-W146 AromaticContact CE3-CZ3 3.93Å; W132-W146 HydrophobicContact CE3-CZ3 3.93Å; W132-W146 HydrophobicContact CH2-CD2 4.41Å; W132-W146 AromaticContact CH2-CE3 3.22Å; W132-W146 HydrophobicContact CH2-CE3 3.22Å; W132-W146 HydrophobicContact CH2-CH2 4.46Å; W132-W146 AromaticContact CH2-CZ3 3.27Å; W132-W146 HydrophobicContact CH2-CZ3 3.27Å; W132-W146 HydrophobicContact CZ2-CD2 4.33Å; W132-W146 AromaticContact CZ2-CE3 3.4Å; W132-W146 HydrophobicContact CZ2-CE3 3.4Å; W132-W146 AromaticContact CZ2-CZ3 3.97Å; W132-W146 HydrophobicContact CZ2-CZ3 3.97Å; W132-W146 AromaticContact CZ3-CE3 3.47Å; W132-W146 HydrophobicContact CZ3-CE3 3.47Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.47Å; W132-W146 AromaticContact CZ3-CZ3 3.26Å; W132-W146 HydrophobicContact CZ3-CZ3 3.26Å; T142-W146 HydrophobicContact CG2-CD2 3.95Å; T142-W146 HydrophobicContact CG2-CE3 4.47Å; T142-W146 HydrophobicContact CG2-CG 4.25Å; T142-W146 HydrophobicContact CG2-CZ2 4.07Å; T142-W146 PolarHBondContact O-N 3.06Å; K143-W146 PolarHBondContact O-N 3.3Å; W146-A149 CarbonylContact O-C 3.51Å; W146-A149 PolarHBondContact O-N 2.86Å; W146-H150 PolarHBondContact O-N 2.92Å; W146-H150 VanDerWaalsContact O-N 3.08Å; W146-V151 HydrophobicContact CB-CB 4Å; W146-V151 HydrophobicContact CB-CG2 3.94Å; W146-V151 HydrophobicContact CD2-CG1 4.25Å; W146-V151 HydrophobicContact CE3-CG1 4.47Å; W146-V151 HydrophobicContact CG-CB 4.14Å; W146-V151 HydrophobicContact CG-CG1 4.37Å; W146-V151 HydrophobicContact CG-CG2 3.9Å; W146-V151 PolarHBondContact O-N 2.88Å
147E98.6Very high98.3Very high88 Ų8869 Ų6941%0.41135%0.352SS..Hα-helixtrans-65.3-47.7171.6-73.7173.8161.300110.9K143 A149 H150K143-E147 WeakPolarHBondContact CE-OE1 3.24Å; K143-E147 HydrophobicContact CG-CG 4.31Å; K143-E147 IonicContact NZ-OE1 3.69Å; K143-E147 WeakPolarHBondContact O-CB 3.22Å; K143-E147 WeakPolarHBondContact O-CG 3.47Å; K143-E147 PolarHBondContact O-N 3.12Å; E147-A149 PolarHBondContact O-N 3.42Å; E147-H150 PolarHBondContact O-N 3.16Å; E147-H150 VanDerWaalsContact O-N 3.11Å
148A98.4Very high98.3Very high81 Ų8165.3 Ų65.367%0.66933%0.331SS*.Hα-helixtrans-62.6-29.4177.200000113.3R144 K145R144-A148 WeakPolarHBondContact O-CB 3.48Å; R144-A148 PolarHBondContact O-N 3.19Å; K145-A148 PolarHBondContact O-N 3.44Å
149A98.3Very high98.4Very high58 Ų5865 Ų6548%0.47933%0.328SS..THydrogen-bonded Turntrans-94.76.1177.900000113.8K145 W146 E147 V151K145-A149 WeakPolarHBondContact O-CB 3.42Å; K145-A149 PolarHBondContact O-N 3.5Å; W146-A149 CarbonylContact O-C 3.51Å; W146-A149 PolarHBondContact O-N 2.86Å; E147-A149 PolarHBondContact O-N 3.42Å; A149-V151 HydrophobicContact CB-CG2 4Å; A149-V151 PolarHBondContact O-N 3.33Å; A149-V151 VanDerWaalsContact O-N 3.15Å
150H97.7Very high98.4Very high108 Ų10868.7 Ų68.750%0.535%0.345SS..THydrogen-bonded Turntrans52.934.6179.7-63.3-93.3000114.2W146 E147 A152 E153W146-H150 PolarHBondContact O-N 2.92Å; W146-H150 VanDerWaalsContact O-N 3.08Å; E147-H150 PolarHBondContact O-N 3.16Å; E147-H150 VanDerWaalsContact O-N 3.11Å; H150-A152 PolarHBondContact O-N 3.16Å; H150-E153 IonicContact CE1-OE1 3.92Å; H150-E153 IonicContact CG-OE1 3.72Å; H150-E153 IonicContact ND1-OE1 2.91Å; H150-E153 PolarHBondContact ND1-OE1 2.75Å; H150-E153 PolarHBondContact O-N 2.64Å; H150-E153 VanDerWaalsContact O-N 3.11Å
151V98.4Very high98.3Very high28 Ų2867 Ų6717%0.1734%0.343CS..Hα-helixtrans-60.4-33.4-174.7175.90000112.1W132 W146 A149 E153 Q154 L155W132-V151 HydrophobicContact CZ2-CB 4.36Å; W132-V151 HydrophobicContact CZ2-CG1 4.13Å; W146-V151 HydrophobicContact CB-CB 4Å; W146-V151 HydrophobicContact CB-CG2 3.94Å; W146-V151 HydrophobicContact CD2-CG1 4.25Å; W146-V151 HydrophobicContact CE3-CG1 4.47Å; W146-V151 HydrophobicContact CG-CB 4.14Å; W146-V151 HydrophobicContact CG-CG1 4.37Å; W146-V151 HydrophobicContact CG-CG2 3.9Å; W146-V151 PolarHBondContact O-N 2.88Å; A149-V151 HydrophobicContact CB-CG2 4Å; A149-V151 PolarHBondContact O-N 3.33Å; A149-V151 VanDerWaalsContact O-N 3.15Å; V151-E153 VanDerWaalsContact C-N 3.27Å; V151-E153 PolarHBondContact O-N 2.92Å; V151-Q154 PolarHBondContact O-N 3.24Å; V151-L155 HydrophobicContact CG1-CD1 3.86Å; V151-L155 HydrophobicContact CG1-CG 4.24Å; V151-L155 WeakPolarHBondContact O-CG 3.36Å; V151-L155 PolarHBondContact O-N 3.23Å; V151-L155 VanDerWaalsContact O-N 3.13Å
152A98.5Very high98.3Very high8 Ų866.7 Ų66.77%0.06634%0.344CS..Hα-helixtrans-60.5-35.8179.100000112.6L125 W132 H150 L155 R156L125-A152 HydrophobicContact CD1-CB 3.96Å; W132-A152 HydrophobicContact CZ2-CB 4.21Å; H150-A152 PolarHBondContact O-N 3.16Å; A152-L155 PolarHBondContact O-N 3.06Å; A152-R156 VanDerWaalsContact O-CB 3.27Å; A152-R156 WeakPolarHBondContact O-CB 3.38Å; A152-R156 PolarHBondContact O-N 2.89Å
153E98Very high98.3Very high126 Ų12665.9 Ų65.959%0.58934%0.339SS*.Hα-helixtrans-67-41.1-179.7-64.5173.7-154.500111.7H150 V151 R156 A157H150-E153 IonicContact CE1-OE1 3.92Å; H150-E153 IonicContact CG-OE1 3.72Å; H150-E153 IonicContact ND1-OE1 2.91Å; H150-E153 PolarHBondContact ND1-OE1 2.75Å; H150-E153 PolarHBondContact O-N 2.64Å; H150-E153 VanDerWaalsContact O-N 3.11Å; V151-E153 VanDerWaalsContact C-N 3.27Å; V151-E153 PolarHBondContact O-N 2.92Å; E153-R156 PolarHBondContact O-N 3.02Å; E153-A157 PolarHBondContact O-N 2.88Å
154Q97.3Very high98.3Very high140 Ų14064.3 Ų64.365%0.65433%0.333SS*.Hα-helixtrans-64.8-43.6176.1-61.5-179.61.900111.5V151 A157 Y158V151-Q154 PolarHBondContact O-N 3.24Å; Q154-A157 PolarHBondContact O-N 3.43Å; Q154-Y158 PolarHBondContact O-N 3.23Å; Q154-Y158 VanDerWaalsContact O-N 3.14Å
155L98.3Very high98.3Very high22 Ų2262.8 Ų62.812%0.11533%0.333CS..Hα-helixtrans-66.3-41.1178.1-68.2172.9000111.6H113 L125 W132 V151 A152 A157 Y158 L159H113-L155 HydrophobicContact CB-CD1 4.27Å; H113-L155 VanDerWaalsContact CE1-CD1 3.48Å; H113-L155 WeakPolarHBondContact CE1-CD1 3.23Å; H113-L155 WeakPolarHBondContact ND1-CD1 3.46Å; L125-L155 HydrophobicContact CD2-CB 4.27Å; L125-L155 HydrophobicContact CD2-CD1 4.48Å; W132-L155 HydrophobicContact CH2-CD1 3.41Å; W132-L155 VanDerWaalsContact CH2-CD1 3.41Å; W132-L155 HydrophobicContact CZ2-CD1 3.87Å; V151-L155 HydrophobicContact CG1-CD1 3.86Å; V151-L155 HydrophobicContact CG1-CG 4.24Å; V151-L155 WeakPolarHBondContact O-CG 3.36Å; V151-L155 PolarHBondContact O-N 3.23Å; V151-L155 VanDerWaalsContact O-N 3.13Å; A152-L155 PolarHBondContact O-N 3.06Å; L155-A157 PolarHBondContact O-N 3.35Å; L155-Y158 PolarHBondContact O-N 2.97Å; L155-L159 WeakPolarHBondContact O-CB 2.98Å; L155-L159 WeakPolarHBondContact O-CG 3.23Å; L155-L159 PolarHBondContact O-N 3.21Å
156R98.5Very high98.3Very high76 Ų7660.7 Ų60.729%0.28732%0.321SS..Hα-helixtrans-58.8-46.6175.2-177.5173.2-178.9-139.4-14.5111.6L129 R130 A152 E153 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.09Å; L129-R156 HydrophobicContact CB-CG 3.94Å; L129-R156 HydrophobicContact CD1-CG 3.99Å; R130-R156 VanDerWaalsContact NH2-NH1 3.16Å; A152-R156 VanDerWaalsContact O-CB 3.27Å; A152-R156 WeakPolarHBondContact O-CB 3.38Å; A152-R156 PolarHBondContact O-N 2.89Å; E153-R156 PolarHBondContact O-N 3.02Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 3.46Å; R156-L159 PolarHBondContact O-N 3.43Å; R156-E160 HydrophobicContact CG-CG 4.16Å; R156-E160 IonicContact CZ-OE1 3.4Å; R156-E160 IonicContact CZ-OE2 3.63Å; R156-E160 VanDerWaalsContact NE-CD 3.34Å; R156-E160 IonicContact NE-OE1 2.81Å; R156-E160 PolarHBondContact NE-OE1 2.94Å; R156-E160 IonicContact NE-OE2 3.27Å; R156-E160 PolarHBondContact NE-OE2 2.84Å; R156-E160 IonicContact NH2-OE1 3.06Å; R156-E160 PolarHBondContact NH2-OE1 3.03Å; R156-E160 IonicContact NH2-OE2 3.33Å; R156-E160 PolarHBondContact NH2-OE2 2.97Å; R156-E160 WeakPolarHBondContact O-CB 3.01Å; R156-E160 PolarHBondContact O-N 3.09Å
157A98.4Very high98.3Very high65 Ų6558.2 Ų58.254%0.53731%0.312SS..Hα-helixtrans-59.1-41.5176.900000112.3E153 Q154 L155 G161E153-A157 PolarHBondContact O-N 2.88Å; Q154-A157 PolarHBondContact O-N 3.43Å; L155-A157 PolarHBondContact O-N 3.35Å; A157-G161 PolarHBondContact O-N 3.23Å; A157-G161 VanDerWaalsContact O-N 3.13Å
158Y98.4Very high98.2Very high61 Ų6159.4 Ų59.424%0.23931%0.313CS..Iπ-helixtrans-65.7-46.9174.4170.8-96.7000112.5Y98 Q154 L155 R156 T162 C163Y98-Y158 AromaticContact CD2-CE1 3.81Å; Y98-Y158 HydrophobicContact CD2-CE1 3.81Å; Y98-Y158 AromaticContact CE2-CE1 3.76Å; Y98-Y158 HydrophobicContact CE2-CE1 3.76Å; Y98-Y158 AromaticContact CE2-CZ 3.95Å; Q154-Y158 PolarHBondContact O-N 3.23Å; Q154-Y158 VanDerWaalsContact O-N 3.14Å; L155-Y158 PolarHBondContact O-N 2.97Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 3.46Å; Y158-T162 HydrophobicContact CD2-CG2 3.98Å; Y158-T162 HydrophobicContact CE2-CG2 3.84Å; Y158-T162 PolarHBondContact O-N 3.06Å; Y158-C163 HydrophobicContact CD1-CB 4.35Å; Y158-C163 HydrophobicContact CE1-CB 3.91Å; Y158-C163 WeakPolarHBondContact O-CB 3.47Å; Y158-C163 PolarHBondContact O-N 3.34Å
159L98.7Very high98.2Very high1 Ų161.1 Ų61.11%0.00530%0.302CS..Iπ-helixtrans-69.9-41.4-173.7-70.9171.1000112.6G99 F108 L125 L129 L155 R156G99-L159 WeakPolarHBondContact O-CD2 3.33Å; F108-L159 HydrophobicContact CE2-CB 4.42Å; L125-L159 HydrophobicContact CD2-CD1 3.97Å; L129-L159 HydrophobicContact CD2-CD1 3.98Å; L155-L159 WeakPolarHBondContact O-CB 2.98Å; L155-L159 WeakPolarHBondContact O-CG 3.23Å; L155-L159 PolarHBondContact O-N 3.21Å; R156-L159 PolarHBondContact O-N 3.43Å
160E98.3Very high98.2Very high79 Ų7958.4 Ų58.437%0.36928%0.279SS..Iπ-helixtrans-79.6-24.9178.6-67.4-179.9168.600112.5F108 L129 R156F108-E160 HydrophobicContact CD1-CG 4.3Å; F108-E160 HydrophobicContact CE1-CG 4.23Å; F108-E160 HydrophobicContact CE2-CG 4.48Å; F108-E160 HydrophobicContact CG-CG 4.46Å; F108-E160 HydrophobicContact CZ-CG 4.33Å; L129-E160 HydrophobicContact CD1-CG 4.02Å; R156-E160 HydrophobicContact CG-CG 4.16Å; R156-E160 IonicContact CZ-OE1 3.4Å; R156-E160 IonicContact CZ-OE2 3.63Å; R156-E160 VanDerWaalsContact NE-CD 3.34Å; R156-E160 IonicContact NE-OE1 2.81Å; R156-E160 PolarHBondContact NE-OE1 2.94Å; R156-E160 IonicContact NE-OE2 3.27Å; R156-E160 PolarHBondContact NE-OE2 2.84Å; R156-E160 IonicContact NH2-OE1 3.06Å; R156-E160 PolarHBondContact NH2-OE1 3.03Å; R156-E160 IonicContact NH2-OE2 3.33Å; R156-E160 PolarHBondContact NH2-OE2 2.97Å; R156-E160 WeakPolarHBondContact O-CB 3.01Å; R156-E160 PolarHBondContact O-N 3.09Å
161G98.1Very high98.2Very high21 Ų2153.3 Ų53.322%0.21626%0.256CS..Iπ-helixtrans-106.9-93.8-178.300000112.9A157 C163 V164 E165A157-G161 PolarHBondContact O-N 3.23Å; A157-G161 VanDerWaalsContact O-N 3.13Å; G161-C163 VanDerWaalsContact C-N 3.28Å; G161-C163 PolarHBondContact O-N 2.83Å; G161-C163 VanDerWaalsContact O-N 3.14Å; G161-V164 PolarHBondContact O-N 3.32Å; G161-E165 WeakPolarHBondContact O-CG 3.44Å; G161-E165 PolarHBondContact O-N 2.75Å
162T98.1Very high98.1Very high55 Ų5558.1 Ų58.134%0.33728%0.276SS..Iπ-helixtrans-51.1-42.5-171.2-560000113.4Y158 V164 E165 W166Y158-T162 HydrophobicContact CD2-CG2 3.98Å; Y158-T162 HydrophobicContact CE2-CG2 3.84Å; Y158-T162 PolarHBondContact O-N 3.06Å; T162-V164 PolarHBondContact O-N 3.45Å; T162-E165 PolarHBondContact O-N 2.9Å; T162-W166 WeakPolarHBondContact O-CB 3.23Å; T162-W166 PolarHBondContact O-N 2.9Å
163C98.6Very high98Very high0 Ų060.1 Ų60.10%029%0.286CS..Hα-helixtrans-60.4-48.3179-173.60000111.6M4 C100 Y158 G161 L167M4-C163 HydrophobicContact CE-CB 4.13Å; M4-C163 WeakPolarHBondContact CE-O 3.07Å; M4-C163 WeakPolarHBondContact CE-SG 3.21Å; C100-C163 HydrophobicContact CB-CB 3.89Å; C100-C163 WeakPolarHBondContact CB-SG 3.32Å; C100-C163 PolarHBondContact N-SG 3.49Å; C100-C163 WeakPolarHBondContact SG-CB 3.43Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.92Å; Y158-C163 HydrophobicContact CD1-CB 4.35Å; Y158-C163 HydrophobicContact CE1-CB 3.91Å; Y158-C163 WeakPolarHBondContact O-CB 3.47Å; Y158-C163 PolarHBondContact O-N 3.34Å; G161-C163 VanDerWaalsContact C-N 3.28Å; G161-C163 PolarHBondContact O-N 2.83Å; G161-C163 VanDerWaalsContact O-N 3.14Å; C163-L167 VanDerWaalsContact O-CB 3.31Å; C163-L167 WeakPolarHBondContact O-CB 3.09Å; C163-L167 PolarHBondContact O-N 2.79Å
164V98.5Very high97.9Very high8 Ų854.2 Ų54.25%0.04826%0.259CS..Hα-helixtrans-67-41.1-1801730000111.3C100 V102 F108 G161 T162 L167 R168C100-V164 HydrophobicContact CB-CG2 4.37Å; V102-V164 HydrophobicContact CG1-CB 4.4Å; V102-V164 HydrophobicContact CG1-CG1 3.94Å; V102-V164 HydrophobicContact CG1-CG2 3.94Å; F108-V164 HydrophobicContact CB-CG2 4.15Å; F108-V164 HydrophobicContact CD2-CG2 3.8Å; F108-V164 HydrophobicContact CG-CG2 4.47Å; G161-V164 PolarHBondContact O-N 3.32Å; T162-V164 PolarHBondContact O-N 3.45Å; V164-L167 PolarHBondContact O-N 3.46Å; V164-R168 VanDerWaalsContact O-CG 3.32Å; V164-R168 WeakPolarHBondContact O-CG 3.46Å; V164-R168 PolarHBondContact O-N 3.46Å
165E98.3Very high97.8Very high125 Ų12552.8 Ų52.858%0.58425%0.251SS*.Hα-helixtrans-60.4-47.9177.6-70.8171.7173.500111.9G161 T162 R168 R169G161-E165 WeakPolarHBondContact O-CG 3.44Å; G161-E165 PolarHBondContact O-N 2.75Å; T162-E165 PolarHBondContact O-N 2.9Å; E165-R168 PolarHBondContact O-N 3.33Å; E165-R169 PolarHBondContact O-N 3.36Å; E165-R169 VanDerWaalsContact O-N 3.08Å
166W98.3Very high97.6Very high73 Ų7360.3 Ų60.328%0.27729%0.285SS..Hα-helixtrans-68.1-41177.6-82103.1000112.4M4 Y58 T162 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.14Å; M4-W166 HydrophobicContact SD-CB 4.48Å; Y58-W166 AromaticContact CD2-CH2 3.51Å; Y58-W166 HydrophobicContact CD2-CH2 3.51Å; Y58-W166 HydrophobicContact CD2-CZ2 4.18Å; Y58-W166 AromaticContact CD2-CZ3 3.85Å; Y58-W166 HydrophobicContact CD2-CZ3 3.85Å; Y58-W166 HydrophobicContact CE2-CE3 4.26Å; Y58-W166 AromaticContact CE2-CH2 3.81Å; Y58-W166 HydrophobicContact CE2-CH2 3.81Å; Y58-W166 HydrophobicContact CE2-CZ2 4.39Å; Y58-W166 AromaticContact CE2-CZ3 3.73Å; Y58-W166 HydrophobicContact CE2-CZ3 3.73Å; T162-W166 WeakPolarHBondContact O-CB 3.23Å; T162-W166 PolarHBondContact O-N 2.9Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 3.02Å; W166-R169 WeakPolarHBondContact O-CB 3.37Å; W166-R169 PolarHBondContact O-N 3.43Å; W166-Y170 HydrophobicContact CB-CE2 4.06Å; W166-Y170 HydrophobicContact CE3-CD1 4.33Å; W166-Y170 AromaticContact CE3-CE1 3.41Å; W166-Y170 HydrophobicContact CE3-CE1 3.41Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.41Å; W166-Y170 HydrophobicContact CE3-CE2 4.4Å; W166-Y170 AromaticContact CE3-CZ 3.45Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.45Å; W166-Y170 VanDerWaalsContact CE3-OH 3.27Å; W166-Y170 AromaticContact CZ3-CE1 3.84Å; W166-Y170 HydrophobicContact CZ3-CE1 3.84Å; W166-Y170 VanDerWaalsContact O-CD2 3.3Å; W166-Y170 WeakPolarHBondContact O-CD2 3.21Å; W166-Y170 PolarHBondContact O-N 3.25Å
167L98.6Very high97.3Very high0 Ų058.9 Ų58.90%029%0.285CS..Hα-helixtrans-58.3-44.6175.8177.251.7000111.3M4 V27 V102 C163 V164 R169 Y170 L171M4-L167 HydrophobicContact CB-CB 4.14Å; M4-L167 HydrophobicContact CB-CD1 3.98Å; M4-L167 HydrophobicContact CB-CD2 4.13Å; M4-L167 HydrophobicContact CB-CG 4.3Å; M4-L167 HydrophobicContact CE-CB 4.44Å; V27-L167 HydrophobicContact CB-CD1 4.49Å; V27-L167 HydrophobicContact CG1-CD1 3.62Å; V27-L167 HydrophobicContact CG2-CD1 4.16Å; V102-L167 HydrophobicContact CB-CD2 4.46Å; V102-L167 HydrophobicContact CG1-CD2 4.01Å; V102-L167 HydrophobicContact CG2-CD2 3.72Å; V102-L167 HydrophobicContact CG2-CG 4.36Å; C163-L167 VanDerWaalsContact O-CB 3.31Å; C163-L167 WeakPolarHBondContact O-CB 3.09Å; C163-L167 PolarHBondContact O-N 2.79Å; V164-L167 PolarHBondContact O-N 3.46Å; L167-R169 PolarHBondContact O-N 3.18Å; L167-Y170 PolarHBondContact O-N 3.18Å; L167-L171 HydrophobicContact CD1-CD1 3.45Å; L167-L171 VanDerWaalsContact CD1-CD1 3.45Å; L167-L171 HydrophobicContact CD1-CG 3.95Å; L167-L171 HydrophobicContact CG-CD1 3.7Å; L167-L171 WeakPolarHBondContact O-CB 3.48Å; L167-L171 WeakPolarHBondContact O-CD1 3.13Å; L167-L171 VanDerWaalsContact O-CG 3.32Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 2.87Å
168R97.4Very high97.1Very high112 Ų11256 Ų5642%0.42326%0.26SS..Hα-helixtrans-61.1-44.5175.1-72.6174.1-177.5-177.91.4112.1W106 V164 E165 W166 Y170 L171 E172W106-R168 HydrophobicContact CB-CG 4.48Å; W106-R168 HydrophobicContact CE3-CG 4.18Å; W106-R168 VanDerWaalsContact O-CZ 3.32Å; W106-R168 PolarHBondContact O-NE 3.33Å; W106-R168 VanDerWaalsContact O-NE 3.12Å; W106-R168 PolarHBondContact O-NH2 2.9Å; V164-R168 VanDerWaalsContact O-CG 3.32Å; V164-R168 WeakPolarHBondContact O-CG 3.46Å; V164-R168 PolarHBondContact O-N 3.46Å; E165-R168 PolarHBondContact O-N 3.33Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 3.02Å; R168-Y170 PolarHBondContact O-N 3.47Å; R168-L171 PolarHBondContact O-N 3.05Å; R168-E172 PolarHBondContact O-N 3.17Å
169R97.6Very high96.8Very high117 Ų11756.3 Ų56.344%0.44226%0.264SS..Hα-helixtrans-59.5-45.9176.1177.5177.417397.2-6111.4E54 E165 W166 L167 E172 N173E54-R169 IonicContact OE1-CZ 3.89Å; E54-R169 IonicContact OE1-NE 2.86Å; E54-R169 PolarHBondContact OE1-NE 3.17Å; E54-R169 IonicContact OE1-NH2 3.58Å; E54-R169 PolarHBondContact OE1-NH2 3.44Å; E54-R169 VanDerWaalsContact OE1-NH2 3.16Å; E54-R169 IonicContact OE2-CZ 3.16Å; E54-R169 IonicContact OE2-NE 3.97Å; E54-R169 PolarHBondContact OE2-NE 3.36Å; E54-R169 IonicContact OE2-NH2 2.77Å; E54-R169 PolarHBondContact OE2-NH2 3.02Å; E165-R169 PolarHBondContact O-N 3.36Å; E165-R169 VanDerWaalsContact O-N 3.08Å; W166-R169 WeakPolarHBondContact O-CB 3.37Å; W166-R169 PolarHBondContact O-N 3.43Å; L167-R169 PolarHBondContact O-N 3.18Å; R169-E172 PolarHBondContact O-N 2.8Å; R169-N173 VanDerWaalsContact O-CB 3.29Å; R169-N173 WeakPolarHBondContact O-CB 3.13Å; R169-N173 PolarHBondContact O-N 3.49Å; R169-N173 PolarHBondContact O-ND2 3.34Å; R169-N173 PolarHBondContact O-OD1 2.91Å
170Y98.1Very high96.6Very high2 Ų260 Ų601%0.00828%0.278CS..Hα-helixtrans-65.3-38.9178.7-60.8-27.9000112.4M4 V27 F32 W50 I51 Y58 W166 L167 R168 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.76Å; M4-Y170 HydrophobicContact SD-CE2 3.52Å; M4-Y170 VanDerWaalsContact SD-CE2 3.52Å; V27-Y170 HydrophobicContact CG2-CD2 3.94Å; V27-Y170 HydrophobicContact CG2-CG 4.5Å; F32-Y170 HydrophobicContact CE2-CD2 4.44Å; F32-Y170 AromaticContact CE2-CE2 3.78Å; F32-Y170 HydrophobicContact CE2-CE2 3.78Å; F32-Y170 HydrophobicContact CZ-CD2 4.43Å; F32-Y170 AromaticContact CZ-CE2 3.87Å; F32-Y170 HydrophobicContact CZ-CE2 3.87Å; W50-Y170 HydrophobicContact CE3-CD1 4.38Å; W50-Y170 HydrophobicContact CH2-CD2 4.46Å; W50-Y170 HydrophobicContact CH2-CG 4.14Å; W50-Y170 AromaticContact CZ3-CD1 3.69Å; W50-Y170 HydrophobicContact CZ3-CD1 3.69Å; W50-Y170 HydrophobicContact CZ3-CD2 4.27Å; W50-Y170 HydrophobicContact CZ3-CE1 4.43Å; W50-Y170 AromaticContact CZ3-CG 3.61Å; W50-Y170 HydrophobicContact CZ3-CG 3.61Å; I51-Y170 HydrophobicContact CD1-CD1 3.83Å; I51-Y170 HydrophobicContact CD1-CE1 3.28Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.27Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.46Å; Y58-Y170 PolarHBondContact OH-OH 3.37Å; W166-Y170 HydrophobicContact CB-CE2 4.06Å; W166-Y170 HydrophobicContact CE3-CD1 4.33Å; W166-Y170 AromaticContact CE3-CE1 3.41Å; W166-Y170 HydrophobicContact CE3-CE1 3.41Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.41Å; W166-Y170 HydrophobicContact CE3-CE2 4.4Å; W166-Y170 AromaticContact CE3-CZ 3.45Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.45Å; W166-Y170 VanDerWaalsContact CE3-OH 3.27Å; W166-Y170 AromaticContact CZ3-CE1 3.84Å; W166-Y170 HydrophobicContact CZ3-CE1 3.84Å; W166-Y170 VanDerWaalsContact O-CD2 3.3Å; W166-Y170 WeakPolarHBondContact O-CD2 3.21Å; W166-Y170 PolarHBondContact O-N 3.25Å; L167-Y170 PolarHBondContact O-N 3.18Å; R168-Y170 PolarHBondContact O-N 3.47Å; Y170-E172 VanDerWaalsContact C-N 3.31Å; Y170-E172 PolarHBondContact O-N 3.49Å; Y170-N173 PolarHBondContact O-N 2.92Å; Y170-G174 WeakPolarHBondContact O-CA 3.3Å; Y170-G174 PolarHBondContact O-N 3.16Å; Y170-L178 WeakPolarHBondContact O-CD1 3.31Å
171L97Very high96.5Very high1 Ų159.1 Ų59.11%0.00528%0.278CS..Hα-helixtrans-67.8-30.9177.4-74.5162.6000112.9H2 V27 W106 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.42Å; H2-L171 VanDerWaalsContact CB-CD1 3.42Å; H2-L171 HydrophobicContact CB-CD2 4.22Å; H2-L171 HydrophobicContact CB-CG 4.47Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.34Å; V27-L171 HydrophobicContact CG1-CD2 4.01Å; V27-L171 HydrophobicContact CG1-CG 4.27Å; W106-L171 HydrophobicContact CE3-CD1 4.33Å; W106-L171 HydrophobicContact CH2-CB 4.17Å; W106-L171 HydrophobicContact CH2-CD1 4.3Å; W106-L171 HydrophobicContact CZ3-CB 3.85Å; W106-L171 HydrophobicContact CZ3-CD1 3.47Å; W106-L171 VanDerWaalsContact CZ3-CD1 3.47Å; W106-L171 HydrophobicContact CZ3-CG 4.21Å; L167-L171 HydrophobicContact CD1-CD1 3.45Å; L167-L171 VanDerWaalsContact CD1-CD1 3.45Å; L167-L171 HydrophobicContact CD1-CG 3.95Å; L167-L171 HydrophobicContact CG-CD1 3.7Å; L167-L171 WeakPolarHBondContact O-CB 3.48Å; L167-L171 WeakPolarHBondContact O-CD1 3.13Å; L167-L171 VanDerWaalsContact O-CG 3.32Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 2.87Å; R168-L171 PolarHBondContact O-N 3.05Å; L171-K175 VanDerWaalsContact O-CA 3.28Å; L171-K175 WeakPolarHBondContact O-CA 3.43Å; L171-K175 WeakPolarHBondContact O-CB 3.42Å; L171-K175 PolarHBondContact O-N 2.9Å; L171-L178 HydrophobicContact CD2-CB 3.78Å; L171-L178 HydrophobicContact CD2-CD1 4.16Å; L171-Q179 HydrophobicContact CD2-CG 4.37Å; L171-Q179 PolarHBondContact O-NE2 2.87Å
172E96.6Very high96.4Very high128 Ų12860.7 Ų60.760%0.59828%0.281SS*.Hα-helixtrans-72.6-49.3170.9-171.960.3-153.700111R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 3.17Å; R169-E172 PolarHBondContact O-N 2.8Å; Y170-E172 VanDerWaalsContact C-N 3.31Å; Y170-E172 PolarHBondContact O-N 3.49Å; E172-G174 VanDerWaalsContact C-N 3.34Å; E172-G174 PolarHBondContact O-N 2.77Å; E172-K175 WeakPolarHBondContact O-CB 3.35Å; E172-K175 PolarHBondContact O-N 3.36Å
173N97.1Very high96.4Very high50 Ų5060.2 Ų60.227%0.26728%0.283SS..Hα-helixtrans-60-41.4-179.9-72.7-5.6000113Q53 E54 R169 Y170Q53-N173 PolarHBondContact NE2-ND2 3.35Å; Q53-N173 PolarHBondContact NE2-OD1 3.02Å; E54-N173 PolarHBondContact OE1-ND2 3.03Å; R169-N173 VanDerWaalsContact O-CB 3.29Å; R169-N173 WeakPolarHBondContact O-CB 3.13Å; R169-N173 PolarHBondContact O-N 3.49Å; R169-N173 PolarHBondContact O-ND2 3.34Å; R169-N173 PolarHBondContact O-OD1 2.91Å; Y170-N173 PolarHBondContact O-N 2.92Å
174G96.6Very high96.4Very high3 Ų360.6 Ų60.63%0.03129%0.285CS..THydrogen-bonded Turntrans-102.717.9-175.700000113.8Y170 E172 E176 T177 L178Y170-G174 WeakPolarHBondContact O-CA 3.3Å; Y170-G174 PolarHBondContact O-N 3.16Å; E172-G174 VanDerWaalsContact C-N 3.34Å; E172-G174 PolarHBondContact O-N 2.77Å; G174-E176 VanDerWaalsContact C-N 3.26Å; G174-E176 PolarHBondContact O-N 3.23Å; G174-E176 VanDerWaalsContact O-N 3.11Å; G174-T177 PolarHBondContact O-N 3.47Å; G174-T177 PolarHBondContact O-OG1 3.24Å; G174-L178 PolarHBondContact O-N 2.85Å
175K95.2Very high96.4Very high110 Ų11066.9 Ų66.948%0.47831%0.312SS..Hα-helixtrans-47.5-43.9-170.4-177.8172.7-175175.90114.3L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.28Å; L171-K175 WeakPolarHBondContact O-CA 3.43Å; L171-K175 WeakPolarHBondContact O-CB 3.42Å; L171-K175 PolarHBondContact O-N 2.9Å; E172-K175 WeakPolarHBondContact O-CB 3.35Å; E172-K175 PolarHBondContact O-N 3.36Å; K175-T177 PolarHBondContact O-N 3Å; K175-Q179 HydrophobicContact CG-CB 4.49Å; K175-Q179 HydrophobicContact CG-CG 4.41Å; K175-Q179 WeakPolarHBondContact O-CB 3.26Å; K175-Q179 PolarHBondContact O-N 3.41Å; K175-Q179 VanDerWaalsContact O-N 3.16Å
176E92.4Very high96.4Very high180 Ų18062.7 Ų62.784%0.84130%0.295SS*.Hα-helixtrans-63.1-25.3-180-62.5-176168.400113.7G174G174-E176 VanDerWaalsContact C-N 3.26Å; G174-E176 PolarHBondContact O-N 3.23Å; G174-E176 VanDerWaalsContact O-N 3.11Å
177T92.6Very high96.3Very high46 Ų4663.1 Ų63.128%0.28230%0.3SS..Hα-helixtrans-106.4-41.9-177.955.40000113.2W50 G174 K175 R180W50-T177 VanDerWaalsContact CD1-OG1 3.32Å; G174-T177 PolarHBondContact O-N 3.47Å; G174-T177 PolarHBondContact O-OG1 3.24Å; K175-T177 PolarHBondContact O-N 3Å; T177-R180 VanDerWaalsContact O-CG 3.32Å; T177-R180 WeakPolarHBondContact O-CG 3.39Å
178L94.1Very high96.2Very high3 Ų364.7 Ų64.72%0.01631%0.308CS..Hα-helixtrans-85.2-27.1-172.9-62.6173.3000112.8V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.27Å; V27-L178 HydrophobicContact CB-CD2 4.06Å; V27-L178 HydrophobicContact CG1-CD1 3.93Å; V27-L178 HydrophobicContact CG1-CD2 4.05Å; V27-L178 HydrophobicContact CG1-CG 4.48Å; T30-L178 HydrophobicContact CG2-CD2 3.93Å; W50-L178 HydrophobicContact CD2-CD1 4.35Å; W50-L178 HydrophobicContact CH2-CD1 4.31Å; W50-L178 HydrophobicContact CZ2-CD1 3.78Å; W50-L178 HydrophobicContact CZ2-CD2 4.03Å; W50-L178 HydrophobicContact CZ2-CG 4.32Å; Y170-L178 WeakPolarHBondContact O-CD1 3.31Å; L171-L178 HydrophobicContact CD2-CB 3.78Å; L171-L178 HydrophobicContact CD2-CD1 4.16Å; G174-L178 PolarHBondContact O-N 2.85Å
179Q92.9Very high96.2Very high68 Ų6861 Ų6132%0.31830%0.298SS..SBendtrans-101.612.8176.5-54.8-1782900111.8L171 K175L171-Q179 HydrophobicContact CD2-CG 4.37Å; L171-Q179 PolarHBondContact O-NE2 2.87Å; K175-Q179 HydrophobicContact CG-CB 4.49Å; K175-Q179 HydrophobicContact CG-CG 4.41Å; K175-Q179 WeakPolarHBondContact O-CB 3.26Å; K175-Q179 PolarHBondContact O-N 3.41Å; K175-Q179 VanDerWaalsContact O-N 3.16Å
180R93.9Very high96.1Very high80 Ų8058.3 Ų58.330%0.30229%0.29SS..  trans-80.3152.8172.190.1-175.3179.5-146.4-8.2109.9T177 D182 Y208T177-R180 VanDerWaalsContact O-CG 3.32Å; T177-R180 WeakPolarHBondContact O-CG 3.39Å; R180-D182 WeakPolarHBondContact CD-OD2 3.32Å; R180-D182 IonicContact CZ-OD2 2.81Å; R180-D182 IonicContact NE-OD2 3.84Å; R180-D182 PolarHBondContact NE-OD2 3.18Å; R180-D182 IonicContact NH2-OD2 3.61Å; R180-Y208 HydrophobicContact CG-CD1 4.1Å; R180-Y208 WeakPolarHBondContact O-CD1 3.42Å
181T95.5Very high96Very high60 Ų6062.5 Ų62.537%0.36831%0.309SS..  trans-135.3113.8170.8-410000108.1Y208 E263T181-Y208 CarbonylContact C-O 3.54Å; T181-Y208 WeakPolarHBondContact CA-O 3.37Å; T181-Y208 WeakPolarHBondContact CG2-O 3.45Å; T181-E263 HydrophobicContact CG2-CB 4.13Å; T181-E263 HydrophobicContact CG2-CG 4.26Å
182D97.3Very high95.8Very high53 Ų5366.2 Ų66.228%0.28334%0.341SS..BIsolated β-bridgetrans-98.7113.5-177.6-60.5-42.8000108.1R180 F207 Y208 H262R180-D182 WeakPolarHBondContact CD-OD2 3.32Å; R180-D182 IonicContact CZ-OD2 2.81Å; R180-D182 IonicContact NE-OD2 3.84Å; R180-D182 PolarHBondContact NE-OD2 3.18Å; R180-D182 IonicContact NH2-OD2 3.61Å; D182-F207 VanDerWaalsContact O-CA 3.23Å; D182-F207 WeakPolarHBondContact O-CA 3.49Å; D182-F207 WeakPolarHBondContact O-CB 3.34Å; D182-Y208 PolarHBondContact N-O 3.14Å; D182-Y208 PolarHBondContact O-N 2.83Å; D182-Y208 VanDerWaalsContact O-N 3.12Å; D182-H262 PolarHBondContact O-CE1 3.04Å
183A98.1Very high95.6Very high45 Ų4564.6 Ų64.637%0.37234%0.339SS..  trans-67.1142.4179.700000111.5K185 G264 L265A183-K185 PolarHBondContact O-N 3.31Å; A183-G264 WeakPolarHBondContact CB-O 3.35Å; A183-L265 HydrophobicContact CB-CD2 4.02Å
184P98.4Very high95.4Very high8 Ų864.6 Ų64.65%0.05234%0.343CS..  trans-63.9130.4179.126.7-35.1000111.7T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.07Å; P184-T186 HydrophobicContact CG-CG2 4.28Å; P184-T186 PolarHBondContact O-N 3.16Å; P184-A204 HydrophobicContact CB-CB 3.88Å; P184-F207 HydrophobicContact CB-CB 3.87Å; P184-F207 HydrophobicContact CB-CD1 4.03Å; P184-F207 HydrophobicContact CB-CG 4.22Å; P184-I212 HydrophobicContact CB-CD1 3.98Å; P184-I212 HydrophobicContact CG-CD1 4.06Å; P184-V260 HydrophobicContact CG-CG1 3.96Å; P184-H262 HydrophobicContact CG-CB 4Å; P184-L265 HydrophobicContact CG-CD1 3.88Å; P184-L265 HydrophobicContact CG-CD2 4.42Å; P184-L265 HydrophobicContact CG-CG 4.19Å
185K98.4Very high95.1Very high141 Ų14171.8 Ų71.861%0.61338%0.381SS*.EExtended strand (participates in β ladder)trans-76.5109.6163.7-65.8176.5-174.41690107.7A183 L205A183-K185 PolarHBondContact O-N 3.31Å; K185-L205 HydrophobicContact CB-CB 4.5Å; K185-L205 PolarHBondContact N-O 2.04Å; K185-L205 PolarHBondContact O-N 2.77Å
186T98.1Very high95.1Very high37 Ų3773.4 Ų73.423%0.22739%0.39CS..EExtended strand (participates in β ladder)trans-105.6142.2-175.157.20000111.8P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.07Å; P184-T186 HydrophobicContact CG-CG2 4.28Å; P184-T186 PolarHBondContact O-N 3.16Å; T186-W203 WeakPolarHBondContact CA-O 3.31Å; T186-W203 WeakPolarHBondContact CB-O 3.34Å; T186-A204 HydrophobicContact CG2-CB 4.42Å; T186-V260 HydrophobicContact CG2-CB 4.38Å; T186-V260 HydrophobicContact CG2-CG1 4.11Å; T186-V260 HydrophobicContact CG2-CG2 4.01Å; T186-L269 HydrophobicContact CG2-CD1 4.27Å; T186-L271 HydrophobicContact CG2-CD1 4.21Å
187H96.3Very high95.2Very high81 Ų8169.1 Ų69.138%0.37537%0.37SS..EExtended strand (participates in β ladder)trans-155.3165.4171.268.4-78.2000109.9W203H187-W203 AromaticContact CD2-CD1 3.97Å; H187-W203 WeakPolarHBondContact CE1-CB 3.4Å; H187-W203 AromaticContact CE1-CD1 3.83Å; H187-W203 AromaticContact CE1-CG 3.55Å; H187-W203 PolarHBondContact N-O 2.83Å; H187-W203 AromaticContact NE2-CD1 3.44Å; H187-W203 AromaticContact NE2-CG 3.64Å; H187-W203 PolarHBondContact O-N 3.16Å
188M96.6Very high95.4Very high34 Ų3466.9 Ų66.917%0.16736%0.356CS..EExtended strand (participates in β ladder)trans-116.9144.6177.9-74.6-177.647.600111L200 R201 W216 L271 W273M188-L200 HydrophobicContact CE-CD1 4.47Å; M188-R201 WeakPolarHBondContact CA-O 3.47Å; M188-W216 HydrophobicContact CE-CH2 3.5Å; M188-W216 HydrophobicContact CE-CZ2 4.39Å; M188-W216 HydrophobicContact CE-CZ3 4.29Å; M188-W216 HydrophobicContact SD-CH2 4.16Å; M188-L271 HydrophobicContact CG-CB 4.3Å; M188-L271 HydrophobicContact SD-CB 3.67Å; M188-W273 HydrophobicContact CE-CB 3.58Å
189T96.9Very high95.6Very high33 Ų3367.8 Ų67.820%0.20236%0.362CS..EExtended strand (participates in β ladder)trans-123.1140.8173.951.20000109R201 W203T189-R201 PolarHBondContact N-O 2.8Å; T189-R201 PolarHBondContact O-N 3.02Å; T189-R201 WeakPolarHBondContact OG1-CB 3.42Å; T189-R201 PolarHBondContact OG1-O 3.15Å; T189-W203 PolarHBondContact OG1-NE1 3.48Å; T189-W203 VanDerWaalsContact OG1-NE1 3.15Å
190H96.8Very high95.9Very high61 Ų6164.6 Ų64.628%0.28235%0.347SS..EExtended strand (participates in β ladder)trans-119.2126.2178.4167.4-78.8000108.5A198 T199 L200 W273H190-A198 WeakPolarHBondContact NE2-CB 3.4Å; H190-T199 WeakPolarHBondContact CA-O 3.3Å; H190-L200 HydrophobicContact CB-CD2 4.08Å; H190-W273 HydrophobicContact CB-CD2 4.32Å; H190-W273 HydrophobicContact CB-CG 4.35Å; H190-W273 HydrophobicContact CB-CZ2 4.2Å; H190-W273 AromaticContact CD2-CE2 3.99Å; H190-W273 AromaticContact CD2-CZ2 4Å; H190-W273 AromaticContact CG-CE2 3.85Å; H190-W273 AromaticContact CG-CZ2 3.9Å
191H95.2Very high96.1Very high90 Ų9063.2 Ų63.242%0.41734%0.342SS..EExtended strand (participates in β ladder)trans-128113.4178.5-60.6-73.7000109.5V193 A198 T199 R201H191-V193 PolarHBondContact O-N 2.69Å; H191-A198 CarbonylContact O-C 3.44Å; H191-A198 VanDerWaalsContact O-CA 3.27Å; H191-A198 WeakPolarHBondContact O-CA 3.45Å; H191-T199 PolarHBondContact N-O 2.99Å; H191-T199 PolarHBondContact O-N 2.98Å; H191-R201 PolarHBondContact CD2-NH1 3.31Å; H191-R201 PolarHBondContact NE2-NH1 2.83Å
192A93Very high96.2Very high80 Ų8060.3 Ų60.366%0.66132%0.324SS*.EExtended strand (participates in β ladder)trans-64.6127.4172.700000109.6
193V91.5Very high96.3Very high93 Ų9360 Ų6056%0.56432%0.319SS*.  trans-99.1-40.1177.2-179.70000109.7H191 E197 T199H191-V193 PolarHBondContact O-N 2.69Å; V193-E197 PolarHBondContact N-O 2.9Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.14Å
194S93.2Very high96.3Very high51 Ų5157.9 Ų57.936%0.35730%0.301SS..SBendtrans-149.2-178.9174.7710000110.3H196 E197S194-H196 PolarHBondContact O-N 3.15Å; S194-H196 VanDerWaalsContact O-N 3.14Å; S194-H196 PolarHBondContact OG-N 2.86Å; S194-E197 PolarHBondContact N-O 2.86Å; S194-E197 VanDerWaalsContact N-O 3.09Å; S194-E197 PolarHBondContact O-N 3.21Å; S194-E197 VanDerWaalsContact O-O 3.09Å; S194-E197 PolarHBondContact OG-N 2.87Å
195D90.8Very high96.3Very high154 Ų15459.8 Ų59.882%0.82431%0.311SS*.SBendtrans-65.5-9.7172.6-64.5-21.4000113.4
196H94.1Very high96.3Very high143 Ų14355 Ų5566%0.66230%0.295SS*.SBendtrans-116.1-15-176.1-56.3-42.6000113.5S194 P249 S250S194-H196 PolarHBondContact O-N 3.15Å; S194-H196 VanDerWaalsContact O-N 3.14Å; S194-H196 PolarHBondContact OG-N 2.86Å; H196-P249 CarbonylContact O-C 3.58Å; H196-P249 WeakPolarHBondContact O-CA 3.17Å; H196-S250 PolarHBondContact O-N 2.86Å; H196-S250 PolarHBondContact O-OG 2.84Å
197E95.9Very high96.3Very high90 Ų9053.3 Ų53.342%0.42129%0.285SS..EExtended strand (participates in β ladder)trans-143.9145.1-170.7-66.2-177.8158.600112.6V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 2.9Å; S194-E197 PolarHBondContact N-O 2.86Å; S194-E197 VanDerWaalsContact N-O 3.09Å; S194-E197 PolarHBondContact O-N 3.21Å; S194-E197 VanDerWaalsContact O-O 3.09Å; S194-E197 PolarHBondContact OG-N 2.87Å; E197-V247 HydrophobicContact CB-CG1 4.02Å; E197-V247 HydrophobicContact CG-CG1 4.26Å; E197-V248 WeakPolarHBondContact CA-O 3.43Å; E197-S250 PolarHBondContact N-OG 3.41Å
198A96.8Very high96.4Very high0 Ų049.6 Ų49.60%027%0.268CS..EExtended strand (participates in β ladder)trans-133.3152.7171.200000110.8H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.4Å; H191-A198 CarbonylContact O-C 3.44Å; H191-A198 VanDerWaalsContact O-CA 3.27Å; H191-A198 WeakPolarHBondContact O-CA 3.45Å; A198-V247 WeakPolarHBondContact O-CA 3.27Å; A198-V248 HydrophobicContact CB-CG2 4.46Å; A198-V248 PolarHBondContact N-O 3.12Å; A198-V248 WeakPolarHBondContact O-CG2 3.49Å; A198-V248 PolarHBondContact O-N 2.92Å
199T97.9Very high96.4Very high22 Ų2249 Ų4914%0.13527%0.266CS..EExtended strand (participates in β ladder)trans-92.6122.2168.1-55.10000109.2H190 H191 V193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.3Å; H191-T199 PolarHBondContact N-O 2.99Å; H191-T199 PolarHBondContact O-N 2.98Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.14Å; T199-A245 HydrophobicContact CG2-CB 3.9Å; T199-V246 WeakPolarHBondContact CA-O 3.43Å
200L98.3Very high96.5Very high0 Ų048.3 Ų48.30%026%0.264CS..EExtended strand (participates in β ladder)trans-94.4124.4163.9-63.1-177.3000108.6M188 H190 W216 A245 V246 V248 E253 W273M188-L200 HydrophobicContact CE-CD1 4.47Å; H190-L200 HydrophobicContact CB-CD2 4.08Å; L200-W216 HydrophobicContact CB-CH2 3.63Å; L200-W216 HydrophobicContact CB-CZ2 3.81Å; L200-W216 HydrophobicContact CB-CZ3 4.48Å; L200-W216 HydrophobicContact CD1-CH2 4.03Å; L200-W216 HydrophobicContact CD1-CZ3 4.25Å; L200-W216 HydrophobicContact CG-CH2 4.49Å; L200-A245 CarbonylContact O-C 3.58Å; L200-A245 WeakPolarHBondContact O-CA 3.49Å; L200-V246 HydrophobicContact CB-CG2 4.25Å; L200-V246 PolarHBondContact N-O 3.25Å; L200-V246 PolarHBondContact O-N 3.13Å; L200-V248 HydrophobicContact CD1-CG1 3.99Å; L200-V248 HydrophobicContact CD1-CG2 3.99Å; L200-V248 HydrophobicContact CG-CG1 4.17Å; L200-V248 HydrophobicContact CG-CG2 3.82Å; L200-E253 HydrophobicContact CD1-CB 4.12Å; L200-E253 HydrophobicContact CD1-CG 4.47Å; L200-E253 HydrophobicContact CD2-CG 4.28Å; L200-W273 HydrophobicContact CD2-CB 4.06Å; L200-W273 HydrophobicContact CD2-CG 4.14Å
201R98.5Very high96.5Very high51 Ų5152.6 Ų52.619%0.19228%0.284CS..EExtended strand (participates in β ladder)trans-121.2122.7175.9179.7-177.1-61.4113.5-0110.3M188 T189 H191 W203 W243 A244 A245M188-R201 WeakPolarHBondContact CA-O 3.47Å; T189-R201 PolarHBondContact N-O 2.8Å; T189-R201 PolarHBondContact O-N 3.02Å; T189-R201 WeakPolarHBondContact OG1-CB 3.42Å; T189-R201 PolarHBondContact OG1-O 3.15Å; H191-R201 PolarHBondContact CD2-NH1 3.31Å; H191-R201 PolarHBondContact NE2-NH1 2.83Å; R201-W203 VanDerWaalsContact CD-NE1 3.34Å; R201-W203 HydrophobicContact CG-CZ2 4.42Å; R201-W243 HydrophobicContact CG-CB 3.98Å; 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 3.32Å; R201-A245 HydrophobicContact CB-CB 3.96Å; R201-A245 HydrophobicContact CG-CB 4.13Å
202C98.5Very high96.7Very high0 Ų048.9 Ų48.90%027%0.267CS..EExtended strand (participates in β ladder)trans-95.9123176-175.70000109.4W216 W243 A244 C258C202-W216 HydrophobicContact CB-CZ2 3.72Å; C202-W243 CarbonylContact O-C 3.58Å; C202-W243 WeakPolarHBondContact O-CA 3.46Å; C202-W243 VanDerWaalsContact O-CB 3.25Å; C202-W243 WeakPolarHBondContact O-CB 3.36Å; C202-A244 PolarHBondContact N-O 2.86Å; C202-A244 PolarHBondContact O-N 2.84Å; C202-C258 HydrophobicContact CB-CB 3.48Å; C202-C258 VanDerWaalsContact CB-CB 3.48Å; C202-C258 WeakPolarHBondContact CB-SG 3.14Å; C202-C258 WeakPolarHBondContact SG-CB 3.34Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.08Å
203W98.6Very high96.9Very high46 Ų4647.7 Ų47.717%0.17425%0.252CS..EExtended strand (participates in β ladder)trans-105.7141.4-179-70.290.6000110.8T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.31Å; T186-W203 WeakPolarHBondContact CB-O 3.34Å; H187-W203 AromaticContact CD2-CD1 3.97Å; H187-W203 WeakPolarHBondContact CE1-CB 3.4Å; H187-W203 AromaticContact CE1-CD1 3.83Å; H187-W203 AromaticContact CE1-CG 3.55Å; H187-W203 PolarHBondContact N-O 2.83Å; H187-W203 AromaticContact NE2-CD1 3.44Å; H187-W203 AromaticContact NE2-CG 3.64Å; H187-W203 PolarHBondContact O-N 3.16Å; T189-W203 PolarHBondContact OG1-NE1 3.48Å; T189-W203 VanDerWaalsContact OG1-NE1 3.15Å; R201-W203 VanDerWaalsContact CD-NE1 3.34Å; R201-W203 HydrophobicContact CG-CZ2 4.42Å; W203-L205 HydrophobicContact CE3-CD2 3.92Å; W203-L205 HydrophobicContact CZ3-CD2 4.47Å; W203-W243 HydrophobicContact CD2-CB 3.9Å; W203-W243 HydrophobicContact CD2-CG 4.43Å; W203-W243 HydrophobicContact CE3-CB 3.82Å; W203-W243 AromaticContact CE3-CD1 3.85Å; W203-W243 HydrophobicContact CE3-CG 4.16Å; W203-W243 HydrophobicContact CG-CB 4.36Å; W203-W243 AromaticContact CH2-CD1 3.53Å; W203-W243 HydrophobicContact CH2-CG 4.18Å; W203-W243 AromaticContact CH2-NE1 3.99Å; W203-W243 HydrophobicContact CZ2-CG 4.45Å; W203-W243 HydrophobicContact CZ3-CB 4.22Å; W203-W243 AromaticContact CZ3-CD1 3.35Å; W203-W243 HydrophobicContact CZ3-CG 4.04Å
204A98.7Very high97.3Very high0 Ų043.6 Ų43.60%023%0.226CC..EExtended strand (participates in β ladder)trans-124121.2162.800000107.9P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.88Å; T186-A204 HydrophobicContact CG2-CB 4.42Å; A204-F207 HydrophobicContact CB-CD1 4.1Å; A204-F207 HydrophobicContact CB-CE1 3.91Å; A204-F207 WeakPolarHBondContact O-CE1 3.5Å; A204-I212 HydrophobicContact CB-CD1 3.61Å; A204-L214 HydrophobicContact CB-CD1 4.05Å; A204-L214 HydrophobicContact CB-CD2 4.13Å; A204-Q241 CarbonylContact O-C 3.57Å; A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.29Å; A204-K242 PolarHBondContact N-O 2.86Å; A204-K242 PolarHBondContact O-N 3.36Å; A204-K242 VanDerWaalsContact O-O 3.1Å
205L98.5Very high97.5Very high48 Ų4843 Ų4325%0.25122%0.221SC..EExtended strand (participates in β ladder)trans-126.4155-176.3-59.4179.6000111.2K185 W203 F207 Q241K185-L205 HydrophobicContact CB-CB 4.5Å; K185-L205 PolarHBondContact N-O 2.04Å; K185-L205 PolarHBondContact O-N 2.77Å; W203-L205 HydrophobicContact CE3-CD2 3.92Å; W203-L205 HydrophobicContact CZ3-CD2 4.47Å; L205-F207 VanDerWaalsContact C-N 3.31Å; L205-F207 PolarHBondContact O-N 3.3Å; L205-Q241 HydrophobicContact CD2-CB 3.59Å
206S97.8Very high97.9Very high42 Ų4235.8 Ų35.829%0.29418%0.182SC..EExtended strand (participates in β ladder)trans55.641170.6-550000114.1T239 F240S206-T239 WeakPolarHBondContact CA-OG1 3.46Å; S206-F240 PolarHBondContact N-O 3.18Å
207F98.4Very high98.1Very high0 Ų031 Ų310%016%0.16CC..EExtended strand (participates in β ladder)trans-105.6154.8177.560.9-89.6000112.5D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 VanDerWaalsContact O-CA 3.23Å; D182-F207 WeakPolarHBondContact O-CA 3.49Å; D182-F207 WeakPolarHBondContact O-CB 3.34Å; P184-F207 HydrophobicContact CB-CB 3.87Å; P184-F207 HydrophobicContact CB-CD1 4.03Å; P184-F207 HydrophobicContact CB-CG 4.22Å; A204-F207 HydrophobicContact CB-CD1 4.1Å; A204-F207 HydrophobicContact CB-CE1 3.91Å; A204-F207 WeakPolarHBondContact O-CE1 3.5Å; L205-F207 VanDerWaalsContact C-N 3.31Å; L205-F207 PolarHBondContact O-N 3.3Å; F207-P209 VanDerWaalsContact CD2-O 3.31Å; F207-P209 WeakPolarHBondContact CD2-O 3.45Å; F207-I212 HydrophobicContact CD1-CD1 3.87Å; F207-I212 HydrophobicContact CD2-CB 4.25Å; F207-I212 HydrophobicContact CD2-CD1 3.97Å; F207-I212 HydrophobicContact CE1-CD1 3.8Å; F207-I212 HydrophobicContact CE1-CG2 4.4Å; F207-I212 HydrophobicContact CE2-CB 3.73Å; F207-I212 HydrophobicContact CE2-CD1 3.93Å; F207-I212 HydrophobicContact CE2-CG1 4.41Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 3.96Å; F207-I212 HydrophobicContact CZ-CB 4.11Å; F207-I212 HydrophobicContact CZ-CD1 3.87Å; F207-I212 HydrophobicContact CZ-CG2 3.52Å; F207-T232 HydrophobicContact CE2-CG2 4.05Å; F207-T232 HydrophobicContact CZ-CG2 3.83Å; F207-T239 CarbonylContact O-C 3.55Å; F207-T239 WeakPolarHBondContact O-CA 3.45Å; F207-F240 VanDerWaalsContact CD1-O 3.27Å; F207-F240 WeakPolarHBondContact CD1-O 3.03Å; F207-F240 HydrophobicContact CD2-CB 3.92Å; F207-F240 HydrophobicContact CE1-CB 4.18Å; F207-F240 WeakPolarHBondContact CE1-O 3.38Å; F207-F240 HydrophobicContact CE2-CB 3.46Å; F207-F240 VanDerWaalsContact CE2-CB 3.46Å; F207-F240 HydrophobicContact CE2-CG 4.43Å; F207-F240 HydrophobicContact CG-CB 4.42Å; F207-F240 HydrophobicContact CZ-CB 3.59Å; F207-F240 PolarHBondContact N-O 2.89Å; F207-F240 PolarHBondContact O-N 3.08Å; F207-K242 HydrophobicContact CE1-CB 4.33Å; F207-K242 HydrophobicContact CZ-CB 4.14Å; F207-H262 AromaticContact CD2-CD2 3.82Å; F207-H262 AromaticContact CD2-NE2 3.72Å
208Y98Very high98.2Very high4 Ų430 Ų302%0.01615%0.152CC..BIsolated β-bridgetrans-151.8135.2173.8-179.5-86.3000108.8D29 T30 R180 T181 D182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 3.81Å; T30-Y208 PolarHBondContact OG1-OH 3.31Å; R180-Y208 HydrophobicContact CG-CD1 4.1Å; R180-Y208 WeakPolarHBondContact O-CD1 3.42Å; T181-Y208 CarbonylContact C-O 3.54Å; T181-Y208 WeakPolarHBondContact CA-O 3.37Å; T181-Y208 WeakPolarHBondContact CG2-O 3.45Å; D182-Y208 PolarHBondContact N-O 3.14Å; D182-Y208 PolarHBondContact O-N 2.83Å; D182-Y208 VanDerWaalsContact O-N 3.12Å; Y208-G238 WeakPolarHBondContact CD2-O 3.46Å; Y208-F240 HydrophobicContact CD2-CD2 4.45Å; Y208-F240 AromaticContact CD2-CE2 3.99Å; Y208-F240 HydrophobicContact CD2-CE2 3.99Å; Y208-F240 HydrophobicContact CE2-CE2 4.43Å; Y208-H262 PolarHBondContact O-CE1 3.33Å
209P97.4Very high98.2Very high22 Ų2234.7 Ų34.714%0.14318%0.177CC..SBendcis-72.5-177.22.831.2-36.7000114.1D29 F207 E211 H262D29-P209 VanDerWaalsContact OD2-CB 3.22Å; D29-P209 WeakPolarHBondContact OD2-CB 3.26Å; F207-P209 VanDerWaalsContact CD2-O 3.31Å; F207-P209 WeakPolarHBondContact CD2-O 3.45Å; P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 2.95Å; P209-H262 PolarHBondContact O-NE2 2.88Å
210A97.9Very high98Very high18 Ų1835.9 Ų35.915%0.14919%0.194CC..SBendtrans-70.7-22.6-17600000114.1D29 I212 T232 F240D29-A210 WeakPolarHBondContact OD2-CB 3.42Å; D29-A210 PolarHBondContact OD2-N 2.91Å; A210-I212 PolarHBondContact O-N 3.11Å; A210-T232 HydrophobicContact CB-CG2 4.35Å; A210-F240 HydrophobicContact CB-CD1 3.78Å; A210-F240 HydrophobicContact CB-CD2 3.75Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.67Å; A210-F240 HydrophobicContact CB-CG 3.82Å; A210-F240 HydrophobicContact CB-CZ 3.65Å
211E98.1Very high97.9Very high150 Ų15042.7 Ų42.770%0.70123%0.226SC*.  trans-67.6117.3-178.2-172.160-149.500110.6P209 H262P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 2.95Å; E211-H262 PolarHBondContact O-CD2 2.69Å; E211-H262 VanDerWaalsContact O-CD2 3.27Å
212I98.5Very high97.9Very high12 Ų1244.8 Ų44.86%0.06224%0.241CC..  trans-153143.8-178.5-162172.1000110.2P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 3.98Å; P184-I212 HydrophobicContact CG-CD1 4.06Å; A204-I212 HydrophobicContact CB-CD1 3.61Å; F207-I212 HydrophobicContact CD1-CD1 3.87Å; F207-I212 HydrophobicContact CD2-CB 4.25Å; F207-I212 HydrophobicContact CD2-CD1 3.97Å; F207-I212 HydrophobicContact CE1-CD1 3.8Å; F207-I212 HydrophobicContact CE1-CG2 4.4Å; F207-I212 HydrophobicContact CE2-CB 3.73Å; F207-I212 HydrophobicContact CE2-CD1 3.93Å; F207-I212 HydrophobicContact CE2-CG1 4.41Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 3.96Å; F207-I212 HydrophobicContact CZ-CB 4.11Å; F207-I212 HydrophobicContact CZ-CD1 3.87Å; F207-I212 HydrophobicContact CZ-CG2 3.52Å; A210-I212 PolarHBondContact O-N 3.11Å; I212-L214 HydrophobicContact CB-CD1 4.38Å; I212-L214 HydrophobicContact CD1-CD1 3.67Å; I212-L214 HydrophobicContact CG1-CD1 3.63Å; I212-L214 HydrophobicContact CG2-CD1 3.95Å; I212-K242 HydrophobicContact CG2-CB 4.3Å; I212-K242 HydrophobicContact CG2-CD 3.61Å; I212-V260 HydrophobicContact CD1-CG1 4.07Å; I212-V260 HydrophobicContact CG1-CG1 4.38Å; I212-Q261 VanDerWaalsContact CG1-O 3.26Å; I212-Q261 WeakPolarHBondContact CG1-O 3.38Å; I212-H262 HydrophobicContact CD1-CB 4.38Å; I212-H262 HydrophobicContact CG1-CB 4.12Å
213T98.4Very high97.8Very high56 Ų5646.1 Ų46.134%0.34425%0.247SC..EExtended strand (participates in β ladder)trans-114.6123174.3-56.30000109.8T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 3.98Å; T213-V260 WeakPolarHBondContact O-CA 3.3Å; T213-Q261 PolarHBondContact N-O 3Å; T213-Q261 PolarHBondContact O-N 3.19Å
214L98.4Very high97.6Very high6 Ų649.1 Ų49.13%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-118.6120.5171.1-80.662.1000108A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.05Å; A204-L214 HydrophobicContact CB-CD2 4.13Å; I212-L214 HydrophobicContact CB-CD1 4.38Å; I212-L214 HydrophobicContact CD1-CD1 3.67Å; I212-L214 HydrophobicContact CG1-CD1 3.63Å; I212-L214 HydrophobicContact CG2-CD1 3.95Å; L214-L229 HydrophobicContact CB-CD1 4.27Å; L214-K242 HydrophobicContact CD1-CD 4.11Å; L214-K242 HydrophobicContact CD2-CB 4.3Å; L214-K242 HydrophobicContact CD2-CD 4.48Å; L214-K242 HydrophobicContact CD2-CG 4.37Å; L214-A244 HydrophobicContact CB-CB 3.99Å; L214-A244 HydrophobicContact CD2-CB 4.32Å; L214-H259 WeakPolarHBondContact CA-O 3.36Å; L214-V260 HydrophobicContact CD1-CG1 4.27Å; L214-V260 HydrophobicContact CG-CG2 4.43Å
215T98.3Very high97.4Very high39 Ų3958.1 Ų58.124%0.23931%0.313CS..EExtended strand (participates in β ladder)trans-130.1148.2175.856.70000111.3T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 3.98Å; T215-C258 CarbonylContact O-C 3.54Å; T215-C258 WeakPolarHBondContact O-CA 3.41Å; T215-H259 PolarHBondContact N-O 2.95Å; T215-H259 PolarHBondContact O-N 3.44Å
216W98.4Very high97.2Very high2 Ų261.2 Ų61.21%0.00833%0.329CS..EExtended strand (participates in β ladder)trans-103.1135.8169.7-83.2104.6000110M188 L200 C202 D222 Q223 A244 V246 T257 C258M188-W216 HydrophobicContact CE-CH2 3.5Å; M188-W216 HydrophobicContact CE-CZ2 4.39Å; M188-W216 HydrophobicContact CE-CZ3 4.29Å; M188-W216 HydrophobicContact SD-CH2 4.16Å; L200-W216 HydrophobicContact CB-CH2 3.63Å; L200-W216 HydrophobicContact CB-CZ2 3.81Å; L200-W216 HydrophobicContact CB-CZ3 4.48Å; L200-W216 HydrophobicContact CD1-CH2 4.03Å; L200-W216 HydrophobicContact CD1-CZ3 4.25Å; L200-W216 HydrophobicContact CG-CH2 4.49Å; C202-W216 HydrophobicContact CB-CZ2 3.72Å; W216-D222 WeakPolarHBondContact O-CA 3.5Å; W216-Q223 HydrophobicContact CB-CB 4.28Å; W216-Q223 PolarHBondContact O-N 3.01Å; W216-A244 VanDerWaalsContact NE1-C 3.35Å; W216-A244 PolarHBondContact NE1-O 2.83Å; W216-V246 HydrophobicContact CB-CG1 3.68Å; W216-V246 HydrophobicContact CB-CG2 4.45Å; W216-V246 HydrophobicContact CD2-CG1 4.3Å; W216-V246 HydrophobicContact CD2-CG2 3.61Å; W216-V246 HydrophobicContact CE3-CG2 3.96Å; W216-V246 HydrophobicContact CG-CB 4.39Å; W216-V246 HydrophobicContact CG-CG1 3.61Å; W216-V246 HydrophobicContact CG-CG2 3.85Å; W216-V246 HydrophobicContact CH2-CG2 4.48Å; W216-V246 HydrophobicContact CZ2-CG2 4.21Å; W216-V246 HydrophobicContact CZ3-CG2 4.39Å; W216-T257 WeakPolarHBondContact CA-O 3.45Å; W216-T257 VanDerWaalsContact CE3-O 3.31Å; W216-C258 HydrophobicContact CD2-CB 4.2Å; W216-C258 HydrophobicContact CE3-CB 4.17Å; W216-C258 HydrophobicContact CH2-CB 4.07Å; W216-C258 HydrophobicContact CZ2-CB 4.08Å; W216-C258 HydrophobicContact CZ3-CB 4.1Å
217Q98.4Very high97.2Very high42 Ų4260.3 Ų60.320%0.19632%0.322CS..EExtended strand (participates in β ladder)trans-119.6144.9170.9-70.1-174.4-8.300110.3E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.55Å; Q217-E221 VanDerWaalsContact CA-O 3.22Å; Q217-E221 WeakPolarHBondContact CA-O 3.22Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.47Å; Q217-D222 PolarHBondContact NE2-OD1 2.97Å; Q217-Y256 CarbonylContact O-C 3.57Å; Q217-Y256 VanDerWaalsContact O-CA 3.22Å; Q217-Y256 WeakPolarHBondContact O-CA 3.43Å; Q217-T257 PolarHBondContact N-O 3.27Å; Q217-T257 PolarHBondContact O-N 3.5Å; Q217-H259 PolarHBondContact OE1-NE2 3.11Å
218R97.9Very high97.1Very high71 Ų7165.8 Ų65.827%0.26835%0.348SS..EExtended strand (participates in β ladder)trans-116.7117.9168.4-176.2-172.5-178.4172-0.3108.1G220 E221 Q223 R255 Y256R218-G220 PolarHBondContact O-N 3.44Å; R218-E221 PolarHBondContact N-O 2.99Å; R218-E221 PolarHBondContact O-N 3.46Å; R218-Q223 HydrophobicContact CB-CG 3.94Å; R218-R255 WeakPolarHBondContact CA-O 3.48Å; R218-R255 HydrophobicContact CG-CB 4.45Å; R218-Y256 HydrophobicContact CB-CD1 3.99Å; R218-Y256 HydrophobicContact CB-CE1 3.75Å; R218-Y256 WeakPolarHBondContact CD-OH 3.49Å; R218-Y256 HydrophobicContact CG-CD1 4.32Å; R218-Y256 HydrophobicContact CG-CE1 3.88Å; R218-Y256 HydrophobicContact CG-CE2 4.19Å; R218-Y256 PolarHBondContact NH1-OH 3.4Å
219D96.6Very high97.1Very high98 Ų9869.8 Ų69.852%0.52437%0.369SS..THydrogen-bonded Turntrans50.928.5-174.6-49.1-60.7000114R255D219-R255 PolarHBondContact N-O 3.24Å; D219-R255 WeakPolarHBondContact OD1-CB 3.46Å; D219-R255 WeakPolarHBondContact OD1-CG 3.25Å; D219-R255 IonicContact OD1-CZ 3.97Å; D219-R255 IonicContact OD1-NE 3.08Å; D219-R255 PolarHBondContact OD1-NE 3.13Å; D219-R255 VanDerWaalsContact OD1-NE 3.08Å; D219-R255 IonicContact OD2-CZ 3.09Å; D219-R255 IonicContact OD2-NE 2.85Å; D219-R255 PolarHBondContact OD2-NE 3.18Å; D219-R255 IonicContact OD2-NH2 2.6Å; D219-R255 PolarHBondContact OD2-NH2 3.47Å
220G93.9Very high97.1Very high47 Ų4770.4 Ų70.449%0.48537%0.372SS..THydrogen-bonded Turntrans93.4-2.3-17800000115.7R218R218-G220 PolarHBondContact O-N 3.44Å
221E97.3Very high97.1Very high143 Ų14377.8 Ų77.867%0.66840%0.404SS*.EExtended strand (participates in β ladder)trans-99.7128.7177.8-63.6-173172.200112.2Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.55Å; Q217-E221 VanDerWaalsContact CA-O 3.22Å; Q217-E221 WeakPolarHBondContact CA-O 3.22Å; R218-E221 PolarHBondContact N-O 2.99Å; R218-E221 PolarHBondContact O-N 3.46Å; E221-Q223 PolarHBondContact O-NE2 3.12Å
222D97.2Very high97.1Very high94 Ų9472.8 Ų72.850%0.50338%0.384SS..EExtended strand (participates in β ladder)trans-61.8133.6-179.1-71-18.1000112.5W216 Q217W216-D222 WeakPolarHBondContact O-CA 3.5Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.47Å; Q217-D222 PolarHBondContact NE2-OD1 2.97Å
223Q97Very high97.1Very high28 Ų2876.8 Ų76.813%0.13140%0.398CS..  trans-103.641-177-58.2-60.7-72.900112.2W216 R218 E221 Q225 D226 T227 V246 Y256W216-Q223 HydrophobicContact CB-CB 4.28Å; W216-Q223 PolarHBondContact O-N 3.01Å; R218-Q223 HydrophobicContact CB-CG 3.94Å; E221-Q223 PolarHBondContact O-NE2 3.12Å; Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.16Å; Q223-D226 PolarHBondContact O-N 2.7Å; Q223-D226 VanDerWaalsContact O-N 3.16Å; Q223-T227 WeakPolarHBondContact O-CB 3.29Å; Q223-T227 PolarHBondContact O-N 2.95Å; Q223-T227 PolarHBondContact O-OG1 3.27Å; Q223-V246 HydrophobicContact CB-CG1 4.41Å; Q223-Y256 HydrophobicContact CG-CE1 4.44Å
224T94.1Very high97.1Very high109 Ų10978.6 Ų78.667%0.66941%0.41SS*.THydrogen-bonded Turntrans-59-35.2-169.8-52.60000113.9
225Q94.9Very high97Very high190 Ų19080.6 Ų80.689%0.88843%0.428SS*.THydrogen-bonded Turntrans-76.7-30.3-179.7-66.6-174.2-1.700113Q223Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.16Å
226D93.8Very high96.9Very high112 Ų11282.4 Ų82.460%0.59945%0.454SS*.THydrogen-bonded Turntrans-96-2.6-176.7-55.9-58000112.6Q223Q223-D226 PolarHBondContact O-N 2.7Å; Q223-D226 VanDerWaalsContact O-N 3.16Å
227T97.4Very high96.7Very high24 Ų2487.1 Ų87.115%0.14748%0.48CS..EExtended strand (participates in β ladder)trans-90119.2179.5-62.40000110.8Q223 L229 A244 A245 V246Q223-T227 WeakPolarHBondContact O-CB 3.29Å; Q223-T227 PolarHBondContact O-N 2.95Å; Q223-T227 PolarHBondContact O-OG1 3.27Å; T227-L229 HydrophobicContact CG2-CB 4.36Å; T227-L229 PolarHBondContact O-N 2.97Å; T227-A244 HydrophobicContact CG2-CB 3.9Å; T227-A245 CarbonylContact C-O 3.49Å; T227-A245 WeakPolarHBondContact CA-O 3.32Å; T227-V246 HydrophobicContact CG2-CG1 4.5Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.41Å
228E97.9Very high96.4Very high115 Ų11587.2 Ų87.254%0.53749%0.491SS..EExtended strand (participates in β ladder)trans-75.8110.9162.5-172.6-174.8-171.200108.9W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.16Å; E228-W243 HydrophobicContact CG-CH2 3.83Å; E228-W243 HydrophobicContact CG-CZ3 3.8Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.18Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.18Å; E228-A244 CarbonylContact O-C 3.56Å; E228-A244 WeakPolarHBondContact O-CA 3.35Å; E228-A245 HydrophobicContact CB-CB 4.45Å; E228-A245 PolarHBondContact N-O 3.31Å; E228-A245 PolarHBondContact O-N 3.33Å
229L97.9Very high96.4Very high88 Ų8884.4 Ų84.446%0.46148%0.482SS..EExtended strand (participates in β ladder)trans-117.9119.4-179.2-172.668.7000110.1L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.27Å; T227-L229 HydrophobicContact CG2-CB 4.36Å; T227-L229 PolarHBondContact O-N 2.97Å; L229-K242 HydrophobicContact CD1-CD 4.49Å; L229-A244 HydrophobicContact CD1-CB 3.61Å
230V97.8Very high96.5Very high34 Ų3481 Ų8121%0.20646%0.463CS..PPolyproline II helixtrans-82.6153.3175-65.70000112.1K242 W243V230-K242 HydrophobicContact CG2-CG 4.39Å; V230-K242 WeakPolarHBondContact O-CE 3.21Å; V230-K242 PolarHBondContact O-NZ 3.14Å; V230-W243 HydrophobicContact CB-CZ2 4.42Å; V230-W243 HydrophobicContact CG1-CD2 3.97Å; V230-W243 HydrophobicContact CG1-CE3 4.36Å; V230-W243 HydrophobicContact CG1-CH2 3.65Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.21Å; V230-W243 HydrophobicContact CG2-CD2 3.81Å; V230-W243 HydrophobicContact CG2-CG 3.75Å; V230-W243 HydrophobicContact CG2-CZ2 4.46Å; V230-W243 WeakPolarHBondContact CG2-O 3.5Å; V230-W243 PolarHBondContact N-O 3.32Å
231E97.6Very high96.7Very high173 Ų17381 Ų8181%0.80845%0.45SS*.PPolyproline II helixtrans-56.4146.5166.8-68.5-173.7172.900111R233E231-R233 PolarHBondContact O-N 3.08Å
232T98.4Very high96.8Very high46 Ų4675.1 Ų75.128%0.28242%0.423SS..PPolyproline II helixtrans-66.4127.7172.5-570000108.2F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.05Å; F207-T232 HydrophobicContact CZ-CG2 3.83Å; A210-T232 HydrophobicContact CB-CG2 4.35Å; T232-F240 HydrophobicContact CG2-CB 3.81Å; T232-F240 HydrophobicContact CG2-CD1 3.91Å; T232-F240 HydrophobicContact CG2-CG 4.13Å; T232-K242 WeakPolarHBondContact OG1-CD 3.5Å; T232-K242 PolarHBondContact OG1-NZ 2.67Å
233R98.1Very high96.9Very high96 Ų9671.8 Ų71.836%0.36240%0.403SS..EExtended strand (participates in β ladder)trans-126.2145-173.467.6-169.7-178.5-171.82.9111.4E231 F240 Q241E231-R233 PolarHBondContact O-N 3.08Å; R233-F240 WeakPolarHBondContact O-CA 3.43Å; R233-Q241 HydrophobicContact CG-CG 3.55Å; R233-Q241 PolarHBondContact N-O 3.43Å; R233-Q241 WeakPolarHBondContact O-CG 3.05Å; R233-Q241 PolarHBondContact O-N 3.07Å
234P97.8Very high96.9Very high93 Ų9370.5 Ų70.560%0.60440%0.397SS*.EExtended strand (participates in β ladder)trans-68.8145.1178.828.8-34.8000111.2F240P234-F240 HydrophobicContact CB-CE1 4.4Å
235A97.1Very high97.1Very high48 Ų4865.4 Ų65.440%0.39737%0.366SS..  trans-88.9-16.4173.300000113D237 T239A235-D237 WeakPolarHBondContact CB-OD1 3.33Å; A235-T239 PolarHBondContact N-O 3.22Å
236G94.8Very high97.3Very high77 Ų7756.5 Ų56.579%0.79433%0.325SS*.SBendtrans95.6-7.3179.100000115
237D93.9Very high97.5Very high102 Ų10255 Ų5555%0.54532%0.319SS..SBendtrans-105.813.817762.2-0.9000112.9A235 T239A235-D237 WeakPolarHBondContact CB-OD1 3.33Å; D237-T239 WeakPolarHBondContact OD1-CB 3.36Å; D237-T239 PolarHBondContact OD1-N 3.39Å; D237-T239 PolarHBondContact OD1-OG1 3.48Å
238G93.3Very high97.5Very high43 Ų4353.8 Ų53.844%0.44331%0.312SS..SBendtrans85.14.9-173.700000114.4Y208Y208-G238 WeakPolarHBondContact CD2-O 3.46Å
239T97.7Very high97.4Very high12 Ų1250.4 Ų50.47%0.07430%0.3CS..  trans-108.9173.217273.40000112.4S206 F207 A235 D237S206-T239 WeakPolarHBondContact CA-OG1 3.46Å; F207-T239 CarbonylContact O-C 3.55Å; F207-T239 WeakPolarHBondContact O-CA 3.45Å; A235-T239 PolarHBondContact N-O 3.22Å; D237-T239 WeakPolarHBondContact OD1-CB 3.36Å; D237-T239 PolarHBondContact OD1-N 3.39Å; D237-T239 PolarHBondContact OD1-OG1 3.48Å
240F98.6Very high97.2Very high28 Ų2849 Ų4912%0.12330%0.297CS..EExtended strand (participates in β ladder)trans-120.3162.4-178.4-63.6-86.3000112.3D29 S206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.8Å; D29-F240 HydrophobicContact CB-CZ 3.77Å; S206-F240 PolarHBondContact N-O 3.18Å; F207-F240 VanDerWaalsContact CD1-O 3.27Å; F207-F240 WeakPolarHBondContact CD1-O 3.03Å; F207-F240 HydrophobicContact CD2-CB 3.92Å; F207-F240 HydrophobicContact CE1-CB 4.18Å; F207-F240 WeakPolarHBondContact CE1-O 3.38Å; F207-F240 HydrophobicContact CE2-CB 3.46Å; F207-F240 VanDerWaalsContact CE2-CB 3.46Å; F207-F240 HydrophobicContact CE2-CG 4.43Å; F207-F240 HydrophobicContact CG-CB 4.42Å; F207-F240 HydrophobicContact CZ-CB 3.59Å; F207-F240 PolarHBondContact N-O 2.89Å; F207-F240 PolarHBondContact O-N 3.08Å; Y208-F240 HydrophobicContact CD2-CD2 4.45Å; Y208-F240 AromaticContact CD2-CE2 3.99Å; Y208-F240 HydrophobicContact CD2-CE2 3.99Å; Y208-F240 HydrophobicContact CE2-CE2 4.43Å; A210-F240 HydrophobicContact CB-CD1 3.78Å; A210-F240 HydrophobicContact CB-CD2 3.75Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.67Å; A210-F240 HydrophobicContact CB-CG 3.82Å; A210-F240 HydrophobicContact CB-CZ 3.65Å; T232-F240 HydrophobicContact CG2-CB 3.81Å; T232-F240 HydrophobicContact CG2-CD1 3.91Å; T232-F240 HydrophobicContact CG2-CG 4.13Å; R233-F240 WeakPolarHBondContact O-CA 3.43Å; P234-F240 HydrophobicContact CB-CE1 4.4Å
241Q98.6Very high97.1Very high45 Ų4550.5 Ų50.521%0.2132%0.32CS..EExtended strand (participates in β ladder)trans-140.5147.5173.747.9169.2-29.400110.3A204 L205 R233A204-Q241 CarbonylContact O-C 3.57Å; A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.29Å; L205-Q241 HydrophobicContact CD2-CB 3.59Å; R233-Q241 HydrophobicContact CG-CG 3.55Å; R233-Q241 PolarHBondContact N-O 3.43Å; R233-Q241 WeakPolarHBondContact O-CG 3.05Å; R233-Q241 PolarHBondContact O-N 3.07Å
242K98.8Very high97Very high21 Ų2145 Ų459%0.09129%0.294CS..EExtended strand (participates in β ladder)trans-152.2154.4177.1-161.9-176.3-173.169.50109.2A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 2.86Å; A204-K242 PolarHBondContact O-N 3.36Å; A204-K242 VanDerWaalsContact O-O 3.1Å; F207-K242 HydrophobicContact CE1-CB 4.33Å; F207-K242 HydrophobicContact CZ-CB 4.14Å; I212-K242 HydrophobicContact CG2-CB 4.3Å; I212-K242 HydrophobicContact CG2-CD 3.61Å; L214-K242 HydrophobicContact CD1-CD 4.11Å; L214-K242 HydrophobicContact CD2-CB 4.3Å; L214-K242 HydrophobicContact CD2-CD 4.48Å; L214-K242 HydrophobicContact CD2-CG 4.37Å; L229-K242 HydrophobicContact CD1-CD 4.49Å; V230-K242 HydrophobicContact CG2-CG 4.39Å; V230-K242 WeakPolarHBondContact O-CE 3.21Å; V230-K242 PolarHBondContact O-NZ 3.14Å; T232-K242 WeakPolarHBondContact OG1-CD 3.5Å; T232-K242 PolarHBondContact OG1-NZ 2.67Å
243W98.6Very high96.9Very high24 Ų2443.7 Ų43.79%0.09129%0.285CS..EExtended strand (participates in β ladder)trans-142.9156.2168.459.5-98.4000111.5R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 3.98Å; 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 3.58Å; C202-W243 WeakPolarHBondContact O-CA 3.46Å; C202-W243 VanDerWaalsContact O-CB 3.25Å; C202-W243 WeakPolarHBondContact O-CB 3.36Å; W203-W243 HydrophobicContact CD2-CB 3.9Å; W203-W243 HydrophobicContact CD2-CG 4.43Å; W203-W243 HydrophobicContact CE3-CB 3.82Å; W203-W243 AromaticContact CE3-CD1 3.85Å; W203-W243 HydrophobicContact CE3-CG 4.16Å; W203-W243 HydrophobicContact CG-CB 4.36Å; W203-W243 AromaticContact CH2-CD1 3.53Å; W203-W243 HydrophobicContact CH2-CG 4.18Å; W203-W243 AromaticContact CH2-NE1 3.99Å; W203-W243 HydrophobicContact CZ2-CG 4.45Å; W203-W243 HydrophobicContact CZ3-CB 4.22Å; W203-W243 AromaticContact CZ3-CD1 3.35Å; W203-W243 HydrophobicContact CZ3-CG 4.04Å; E228-W243 HydrophobicContact CB-CZ3 4.16Å; E228-W243 HydrophobicContact CG-CH2 3.83Å; E228-W243 HydrophobicContact CG-CZ3 3.8Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.18Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.18Å; V230-W243 HydrophobicContact CB-CZ2 4.42Å; V230-W243 HydrophobicContact CG1-CD2 3.97Å; V230-W243 HydrophobicContact CG1-CE3 4.36Å; V230-W243 HydrophobicContact CG1-CH2 3.65Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.21Å; V230-W243 HydrophobicContact CG2-CD2 3.81Å; V230-W243 HydrophobicContact CG2-CG 3.75Å; V230-W243 HydrophobicContact CG2-CZ2 4.46Å; V230-W243 WeakPolarHBondContact CG2-O 3.5Å; V230-W243 PolarHBondContact N-O 3.32Å; W243-A245 HydrophobicContact CE3-CB 3.93Å; W243-A245 HydrophobicContact CZ3-CB 3.65Å
244A98.5Very high96.8Very high0 Ų044.2 Ų44.20%029%0.292CS..EExtended strand (participates in β ladder)trans-128.9133.4173.500000108.4R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.32Å; C202-A244 PolarHBondContact N-O 2.86Å; C202-A244 PolarHBondContact O-N 2.84Å; L214-A244 HydrophobicContact CB-CB 3.99Å; L214-A244 HydrophobicContact CD2-CB 4.32Å; W216-A244 VanDerWaalsContact NE1-C 3.35Å; W216-A244 PolarHBondContact NE1-O 2.83Å; T227-A244 HydrophobicContact CG2-CB 3.9Å; E228-A244 CarbonylContact O-C 3.56Å; E228-A244 WeakPolarHBondContact O-CA 3.35Å; L229-A244 HydrophobicContact CD1-CB 3.61Å
245A98.3Very high96.8Very high2 Ų244.7 Ų44.72%0.01728%0.281CS..EExtended strand (participates in β ladder)trans-127.9146.6-179.900000112.3T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.9Å; L200-A245 CarbonylContact O-C 3.58Å; L200-A245 WeakPolarHBondContact O-CA 3.49Å; R201-A245 HydrophobicContact CB-CB 3.96Å; R201-A245 HydrophobicContact CG-CB 4.13Å; T227-A245 CarbonylContact C-O 3.49Å; T227-A245 WeakPolarHBondContact CA-O 3.32Å; E228-A245 HydrophobicContact CB-CB 4.45Å; E228-A245 PolarHBondContact N-O 3.31Å; E228-A245 PolarHBondContact O-N 3.33Å; W243-A245 HydrophobicContact CE3-CB 3.93Å; W243-A245 HydrophobicContact CZ3-CB 3.65Å
246V98.1Very high96.8Very high4 Ų442.9 Ų42.92%0.02426%0.264CS..EExtended strand (participates in β ladder)trans-132.3144.6173.4-72.80000109.2T199 L200 W216 Q223 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.43Å; L200-V246 HydrophobicContact CB-CG2 4.25Å; L200-V246 PolarHBondContact N-O 3.25Å; L200-V246 PolarHBondContact O-N 3.13Å; W216-V246 HydrophobicContact CB-CG1 3.68Å; W216-V246 HydrophobicContact CB-CG2 4.45Å; W216-V246 HydrophobicContact CD2-CG1 4.3Å; W216-V246 HydrophobicContact CD2-CG2 3.61Å; W216-V246 HydrophobicContact CE3-CG2 3.96Å; W216-V246 HydrophobicContact CG-CB 4.39Å; W216-V246 HydrophobicContact CG-CG1 3.61Å; W216-V246 HydrophobicContact CG-CG2 3.85Å; W216-V246 HydrophobicContact CH2-CG2 4.48Å; W216-V246 HydrophobicContact CZ2-CG2 4.21Å; W216-V246 HydrophobicContact CZ3-CG2 4.39Å; Q223-V246 HydrophobicContact CB-CG1 4.41Å; T227-V246 HydrophobicContact CG2-CG1 4.5Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.41Å; V246-V248 HydrophobicContact CB-CG1 4.4Å; V246-V248 HydrophobicContact CG2-CG1 3.78Å; V246-Y256 HydrophobicContact CG2-CD1 4.11Å
247V97.8Very high97Very high79 Ų7939.6 Ų39.648%0.47923%0.229SC..EExtended strand (participates in β ladder)trans-86.7127.1168.7-178.60000107.7E197 A198E197-V247 HydrophobicContact CB-CG1 4.02Å; E197-V247 HydrophobicContact CG-CG1 4.26Å; A198-V247 WeakPolarHBondContact O-CA 3.27Å
248V97.2Very high97.2Very high0 Ų034.7 Ų34.70%020%0.203CC..EExtended strand (participates in β ladder)trans-125.4144.4-175.7-52.30000110.4E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.43Å; A198-V248 HydrophobicContact CB-CG2 4.46Å; A198-V248 PolarHBondContact N-O 3.12Å; A198-V248 WeakPolarHBondContact O-CG2 3.49Å; A198-V248 PolarHBondContact O-N 2.92Å; L200-V248 HydrophobicContact CD1-CG1 3.99Å; L200-V248 HydrophobicContact CD1-CG2 3.99Å; L200-V248 HydrophobicContact CG-CG1 4.17Å; L200-V248 HydrophobicContact CG-CG2 3.82Å; V246-V248 HydrophobicContact CB-CG1 4.4Å; V246-V248 HydrophobicContact CG2-CG1 3.78Å; V248-E253 HydrophobicContact CG2-CG 4.01Å; V248-Y256 HydrophobicContact CB-CD2 3.98Å; V248-Y256 HydrophobicContact CB-CE2 3.64Å; V248-Y256 HydrophobicContact CG1-CD1 3.8Å; V248-Y256 HydrophobicContact CG1-CD2 3.55Å; V248-Y256 HydrophobicContact CG1-CE1 3.73Å; V248-Y256 HydrophobicContact CG1-CE2 3.48Å; V248-Y256 VanDerWaalsContact CG1-CE2 3.48Å; V248-Y256 HydrophobicContact CG1-CG 3.71Å
249P97Very high97.4Very high43 Ų4334.3 Ų34.328%0.27919%0.189SC..EExtended strand (participates in β ladder)trans-64.2139.1170.9-20.332.3000111.1H196 G251 Q252H196-P249 CarbonylContact O-C 3.58Å; H196-P249 WeakPolarHBondContact O-CA 3.17Å; P249-G251 PolarHBondContact O-N 3.14Å; P249-Q252 HydrophobicContact CB-CB 4.42Å; P249-Q252 HydrophobicContact CB-CG 4.17Å; P249-Q252 WeakPolarHBondContact O-CB 3.47Å; P249-Q252 PolarHBondContact O-N 2.89Å
250S94.1Very high97.5Very high58 Ų5833.7 Ų33.741%0.40619%0.186SC..THydrogen-bonded Turntrans-56.5132.4177-60.70000111.4H196 E197 Q252 E253H196-S250 PolarHBondContact O-N 2.86Å; H196-S250 PolarHBondContact O-OG 2.84Å; E197-S250 PolarHBondContact N-OG 3.41Å; S250-Q252 VanDerWaalsContact C-N 3.32Å; S250-E253 WeakPolarHBondContact CA-OE1 3.34Å
251G93.9Very high97.5Very high67 Ų6737.2 Ų37.269%0.69120%0.202SC*.THydrogen-bonded Turntrans84.7-1.7-176.500000114.8P249 E253P249-G251 PolarHBondContact O-N 3.14Å; G251-E253 WeakPolarHBondContact CA-OE2 2.82Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.23Å; G251-E253 PolarHBondContact N-OE2 3.38Å
252Q96.3Very high97.5Very high57 Ų5735.8 Ų35.827%0.26620%0.195SC..  trans-105.86.9175.3-60.4-168.236.800113.4P249 S250 Q254 R255 Y256P249-Q252 HydrophobicContact CB-CB 4.42Å; P249-Q252 HydrophobicContact CB-CG 4.17Å; P249-Q252 WeakPolarHBondContact O-CB 3.47Å; P249-Q252 PolarHBondContact O-N 2.89Å; S250-Q252 VanDerWaalsContact C-N 3.32Å; Q252-Q254 PolarHBondContact O-N 3.44Å; Q252-Q254 VanDerWaalsContact O-N 3.16Å; Q252-R255 WeakPolarHBondContact O-CB 3.36Å; Q252-R255 PolarHBondContact O-N 3.48Å; Q252-Y256 HydrophobicContact CB-CE2 4.4Å; Q252-Y256 VanDerWaalsContact O-CD2 3.3Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.48Å
253E96Very high97.4Very high18 Ų1841.7 Ų41.78%0.08422%0.223CC..G310 helixtrans-56.4-37.4-173.4-58.980.2-17600111.9L200 V248 S250 G251 R255 Y256 W273L200-E253 HydrophobicContact CD1-CB 4.12Å; L200-E253 HydrophobicContact CD1-CG 4.47Å; L200-E253 HydrophobicContact CD2-CG 4.28Å; V248-E253 HydrophobicContact CG2-CG 4.01Å; S250-E253 WeakPolarHBondContact CA-OE1 3.34Å; G251-E253 WeakPolarHBondContact CA-OE2 2.82Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.23Å; G251-E253 PolarHBondContact N-OE2 3.38Å; E253-R255 PolarHBondContact O-N 2.84Å; E253-Y256 PolarHBondContact O-N 3.05Å; E253-W273 HydrophobicContact CB-CD2 4.43Å; E253-W273 HydrophobicContact CB-CE3 3.49Å; E253-W273 VanDerWaalsContact CB-CE3 3.49Å; E253-W273 HydrophobicContact CB-CZ3 4.03Å; E253-W273 HydrophobicContact CG-CE3 3.67Å; E253-W273 HydrophobicContact CG-CZ3 3.83Å
254Q96.2Very high97.2Very high108 Ų10841.6 Ų41.651%0.50523%0.23SC..G310 helixtrans-67.8-16.3-179.7-64.8-57.8-43.300114.5Q252 Y256 W273Q252-Q254 PolarHBondContact O-N 3.44Å; Q252-Q254 VanDerWaalsContact O-N 3.16Å; Q254-Y256 VanDerWaalsContact C-N 3.26Å; Q254-W273 PolarHBondContact NE2-O 2.91Å
255R97.4Very high97.2Very high103 Ų10342.8 Ų42.839%0.38924%0.236SC..G310 helixtrans-77.4-16174-64.5175.767.3179.46.2112.2R218 D219 Q252 E253R218-R255 WeakPolarHBondContact CA-O 3.48Å; R218-R255 HydrophobicContact CG-CB 4.45Å; D219-R255 PolarHBondContact N-O 3.24Å; D219-R255 WeakPolarHBondContact OD1-CB 3.46Å; D219-R255 WeakPolarHBondContact OD1-CG 3.25Å; D219-R255 IonicContact OD1-CZ 3.97Å; D219-R255 IonicContact OD1-NE 3.08Å; D219-R255 PolarHBondContact OD1-NE 3.13Å; D219-R255 VanDerWaalsContact OD1-NE 3.08Å; D219-R255 IonicContact OD2-CZ 3.09Å; D219-R255 IonicContact OD2-NE 2.85Å; D219-R255 PolarHBondContact OD2-NE 3.18Å; D219-R255 IonicContact OD2-NH2 2.6Å; D219-R255 PolarHBondContact OD2-NH2 3.47Å; Q252-R255 WeakPolarHBondContact O-CB 3.36Å; Q252-R255 PolarHBondContact O-N 3.48Å; E253-R255 PolarHBondContact O-N 2.84Å
256Y98.1Very high97.1Very high9 Ų949.1 Ų49.14%0.03528%0.277CS..EExtended strand (participates in β ladder)trans-98.6132.9-177.3-66.4-97.4000111.2Q217 R218 Q223 V246 V248 Q252 E253 Q254Q217-Y256 CarbonylContact O-C 3.57Å; Q217-Y256 VanDerWaalsContact O-CA 3.22Å; Q217-Y256 WeakPolarHBondContact O-CA 3.43Å; R218-Y256 HydrophobicContact CB-CD1 3.99Å; R218-Y256 HydrophobicContact CB-CE1 3.75Å; R218-Y256 WeakPolarHBondContact CD-OH 3.49Å; R218-Y256 HydrophobicContact CG-CD1 4.32Å; R218-Y256 HydrophobicContact CG-CE1 3.88Å; R218-Y256 HydrophobicContact CG-CE2 4.19Å; R218-Y256 PolarHBondContact NH1-OH 3.4Å; Q223-Y256 HydrophobicContact CG-CE1 4.44Å; V246-Y256 HydrophobicContact CG2-CD1 4.11Å; V248-Y256 HydrophobicContact CB-CD2 3.98Å; V248-Y256 HydrophobicContact CB-CE2 3.64Å; V248-Y256 HydrophobicContact CG1-CD1 3.8Å; V248-Y256 HydrophobicContact CG1-CD2 3.55Å; V248-Y256 HydrophobicContact CG1-CE1 3.73Å; V248-Y256 HydrophobicContact CG1-CE2 3.48Å; V248-Y256 VanDerWaalsContact CG1-CE2 3.48Å; V248-Y256 HydrophobicContact CG1-CG 3.71Å; Q252-Y256 HydrophobicContact CB-CE2 4.4Å; Q252-Y256 VanDerWaalsContact O-CD2 3.3Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.48Å; E253-Y256 PolarHBondContact O-N 3.05Å; Q254-Y256 VanDerWaalsContact C-N 3.26Å
257T98.2Very high97.1Very high8 Ų856 Ų565%0.04931%0.307CS..EExtended strand (participates in β ladder)trans-124.8133.1174.543.20000110.6W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.45Å; W216-T257 VanDerWaalsContact CE3-O 3.31Å; Q217-T257 PolarHBondContact N-O 3.27Å; Q217-T257 PolarHBondContact O-N 3.5Å; T257-H259 WeakPolarHBondContact CB-NE2 3.48Å; T257-H259 PolarHBondContact OG1-NE2 3.5Å; T257-T270 HydrophobicContact CG2-CG2 3.81Å; T257-L271 CarbonylContact C-O 3.52Å; T257-L271 VanDerWaalsContact CA-O 3.3Å; T257-L271 WeakPolarHBondContact CA-O 3.45Å; T257-R272 HydrophobicContact CG2-CG 3.51Å
258C98.4Very high97.1Very high0 Ų055.9 Ų55.90%031%0.307CS..EExtended strand (participates in β ladder)trans-90.9130.7167175.70000109.6C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.48Å; C202-C258 VanDerWaalsContact CB-CB 3.48Å; C202-C258 WeakPolarHBondContact CB-SG 3.14Å; C202-C258 WeakPolarHBondContact SG-CB 3.34Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.08Å; T215-C258 CarbonylContact O-C 3.54Å; T215-C258 WeakPolarHBondContact O-CA 3.41Å; W216-C258 HydrophobicContact CD2-CB 4.2Å; W216-C258 HydrophobicContact CE3-CB 4.17Å; W216-C258 HydrophobicContact CH2-CB 4.07Å; W216-C258 HydrophobicContact CZ2-CB 4.08Å; W216-C258 HydrophobicContact CZ3-CB 4.1Å; C258-T270 CarbonylContact O-C 3.59Å; C258-T270 WeakPolarHBondContact O-CA 3.42Å; C258-L271 HydrophobicContact CB-CB 4.28Å; C258-L271 PolarHBondContact N-O 3.03Å; C258-L271 PolarHBondContact O-N 2.81Å
259H98.4Very high97.1Very high34 Ų3458.2 Ų58.216%0.15732%0.32CS..EExtended strand (participates in β ladder)trans-110.2129.9176.4-63.8-106.2000109.6L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.36Å; T215-H259 PolarHBondContact N-O 2.95Å; T215-H259 PolarHBondContact O-N 3.44Å; Q217-H259 PolarHBondContact OE1-NE2 3.11Å; T257-H259 WeakPolarHBondContact CB-NE2 3.48Å; T257-H259 PolarHBondContact OG1-NE2 3.5Å; H259-L269 WeakPolarHBondContact CA-O 3.36Å; H259-T270 PolarHBondContact ND1-OG1 2.97Å
260V98.6Very high97.2Very high0 Ų060.2 Ų60.20%033%0.331CS..EExtended strand (participates in β ladder)trans-123.2123-178.4-173.20000109.4P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.96Å; T186-V260 HydrophobicContact CG2-CB 4.38Å; T186-V260 HydrophobicContact CG2-CG1 4.11Å; T186-V260 HydrophobicContact CG2-CG2 4.01Å; I212-V260 HydrophobicContact CD1-CG1 4.07Å; I212-V260 HydrophobicContact CG1-CG1 4.38Å; T213-V260 WeakPolarHBondContact O-CA 3.3Å; L214-V260 HydrophobicContact CD1-CG1 4.27Å; L214-V260 HydrophobicContact CG-CG2 4.43Å; V260-L265 HydrophobicContact CG1-CD1 4.2Å; V260-P268 WeakPolarHBondContact O-CA 3.46Å; V260-L269 HydrophobicContact CB-CB 4.33Å; V260-L269 PolarHBondContact N-O 3.15Å; V260-L269 PolarHBondContact O-N 3.11Å; V260-L271 HydrophobicContact CG2-CD1 4.09Å
261Q98.6Very high97.3Very high102 Ų10259.2 Ų59.248%0.47732%0.321SS..EExtended strand (participates in β ladder)trans-119.2131.6173.7-54-179.8-0.600109.5I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.26Å; I212-Q261 WeakPolarHBondContact CG1-O 3.38Å; T213-Q261 PolarHBondContact N-O 3Å; T213-Q261 PolarHBondContact O-N 3.19Å; Q261-P268 HydrophobicContact CG-CB 4.09Å; Q261-P268 HydrophobicContact CG-CG 4.15Å
262H98.4Very high97.3Very high14 Ų1463.6 Ų63.67%0.06532%0.317CS..  trans-157145.9179.6-176.5-98.7000108.4D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 3.04Å; P184-H262 HydrophobicContact CG-CB 4Å; F207-H262 AromaticContact CD2-CD2 3.82Å; F207-H262 AromaticContact CD2-NE2 3.72Å; Y208-H262 PolarHBondContact O-CE1 3.33Å; P209-H262 PolarHBondContact O-NE2 2.88Å; E211-H262 PolarHBondContact O-CD2 2.69Å; E211-H262 VanDerWaalsContact O-CD2 3.27Å; I212-H262 HydrophobicContact CD1-CB 4.38Å; I212-H262 HydrophobicContact CG1-CB 4.12Å; H262-G264 PolarHBondContact ND1-N 3.15Å; H262-G264 PolarHBondContact O-N 2.85Å; H262-L265 HydrophobicContact CB-CD1 3.98Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.34Å; H262-L265 PolarHBondContact O-N 3.39Å
263E96.4Very high97Very high145 Ų14567.8 Ų67.868%0.67833%0.33SS*.THydrogen-bonded Turntrans-58.9-32.5-178.5-176.3173.6-172.400112.6T181 L265T181-E263 HydrophobicContact CG2-CB 4.13Å; T181-E263 HydrophobicContact CG2-CG 4.26Å; E263-L265 PolarHBondContact O-N 3.27Å
264G96.1Very high97.1Very high22 Ų2270.3 Ų70.323%0.22734%0.342CS..THydrogen-bonded Turntrans-72.6-7.6177.200000114.8A183 H262A183-G264 WeakPolarHBondContact CB-O 3.35Å; H262-G264 PolarHBondContact ND1-N 3.15Å; H262-G264 PolarHBondContact O-N 2.85Å
265L97.9Very high97.1Very high25 Ų2568.3 Ų68.313%0.13133%0.334CS..  trans-94.4126.5176.5-67.1170.2000109.9A183 P184 V260 H262 E263 K267 L269A183-L265 HydrophobicContact CB-CD2 4.02Å; P184-L265 HydrophobicContact CG-CD1 3.88Å; P184-L265 HydrophobicContact CG-CD2 4.42Å; P184-L265 HydrophobicContact CG-CG 4.19Å; V260-L265 HydrophobicContact CG1-CD1 4.2Å; H262-L265 HydrophobicContact CB-CD1 3.98Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.34Å; H262-L265 PolarHBondContact O-N 3.39Å; E263-L265 PolarHBondContact O-N 3.27Å; L265-K267 WeakPolarHBondContact CB-O 3.27Å; L265-K267 PolarHBondContact O-N 3.06Å; L265-L269 HydrophobicContact CD1-CD1 4.05Å; L265-L269 HydrophobicContact CD1-CG 3.92Å; L265-L269 HydrophobicContact CD2-CD1 3.72Å; L265-L269 HydrophobicContact CD2-CD2 4.45Å; L265-L269 HydrophobicContact CD2-CG 3.94Å
266P96.8Very high97.1Very high135 Ų13566.3 Ų66.388%0.87733%0.331SS*.SBendtrans-65.8-22.4177.327.2-34.9000112.7
267K97.1Very high97Very high150 Ų15069.7 Ų69.765%0.65235%0.348SS*.SBendtrans-150.8151.5172.161.4-177.6-179.61790109.3L265L265-K267 WeakPolarHBondContact CB-O 3.27Å; L265-K267 PolarHBondContact O-N 3.06Å
268P97.7Very high97Very high75 Ų7573.6 Ų73.649%0.48737%0.367SS..  trans-52.2143.4172.9-27.536.1000112.2V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.46Å; Q261-P268 HydrophobicContact CG-CB 4.09Å; Q261-P268 HydrophobicContact CG-CG 4.15Å
269L98Very high96.9Very high50 Ų5078.5 Ų78.526%0.26239%0.391SS..EExtended strand (participates in β ladder)trans-93146.9173.7-61.7178.1000110.2T186 H259 V260 L265T186-L269 HydrophobicContact CG2-CD1 4.27Å; H259-L269 WeakPolarHBondContact CA-O 3.36Å; V260-L269 HydrophobicContact CB-CB 4.33Å; V260-L269 PolarHBondContact N-O 3.15Å; V260-L269 PolarHBondContact O-N 3.11Å; L265-L269 HydrophobicContact CD1-CD1 4.05Å; L265-L269 HydrophobicContact CD1-CG 3.92Å; L265-L269 HydrophobicContact CD2-CD1 3.72Å; L265-L269 HydrophobicContact CD2-CD2 4.45Å; L265-L269 HydrophobicContact CD2-CG 3.94Å
270T97.9Very high96.7Very high84 Ų8481.6 Ų81.652%0.51541%0.408SS..EExtended strand (participates in β ladder)trans-126.9121171.1-56.60000107.8T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.81Å; C258-T270 CarbonylContact O-C 3.59Å; C258-T270 WeakPolarHBondContact O-CA 3.42Å; H259-T270 PolarHBondContact ND1-OG1 2.97Å
271L96.6Very high96.6Very high38 Ų3887.9 Ų87.920%0.19944%0.44CS..EExtended strand (participates in β ladder)trans-117.4143.2-173.9-57.9161.2000109.2T186 M188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.21Å; M188-L271 HydrophobicContact CG-CB 4.3Å; M188-L271 HydrophobicContact SD-CB 3.67Å; T257-L271 CarbonylContact C-O 3.52Å; T257-L271 VanDerWaalsContact CA-O 3.3Å; T257-L271 WeakPolarHBondContact CA-O 3.45Å; C258-L271 HydrophobicContact CB-CB 4.28Å; C258-L271 PolarHBondContact N-O 3.03Å; C258-L271 PolarHBondContact O-N 2.81Å; V260-L271 HydrophobicContact CG2-CD1 4.09Å
272R94.5Very high96.4Very high158 Ų15886.8 Ų86.860%0.59644%0.436SS*.  trans-129.7157.3170-68.7-173.8178150.12.2108.4T257T257-R272 HydrophobicContact CG2-CG 3.51Å
273W89.8Confident96.3Very high145 Ų14593.4 Ų93.455%0.54947%0.47SS..  trans-71.40173.4179.456.8000110.6M188 H190 L200 E253 Q254M188-W273 HydrophobicContact CE-CB 3.58Å; H190-W273 HydrophobicContact CB-CD2 4.32Å; H190-W273 HydrophobicContact CB-CG 4.35Å; H190-W273 HydrophobicContact CB-CZ2 4.2Å; H190-W273 AromaticContact CD2-CE2 3.99Å; H190-W273 AromaticContact CD2-CZ2 4Å; H190-W273 AromaticContact CG-CE2 3.85Å; H190-W273 AromaticContact CG-CZ2 3.9Å; L200-W273 HydrophobicContact CD2-CB 4.06Å; L200-W273 HydrophobicContact CD2-CG 4.14Å; E253-W273 HydrophobicContact CB-CD2 4.43Å; E253-W273 HydrophobicContact CB-CE3 3.49Å; E253-W273 VanDerWaalsContact CB-CE3 3.49Å; E253-W273 HydrophobicContact CB-CZ3 4.03Å; E253-W273 HydrophobicContact CG-CE3 3.67Å; E253-W273 HydrophobicContact CG-CZ3 3.83Å; Q254-W273 PolarHBondContact NE2-O 2.91Å

Retrieved 273 of 273 residues in 288.7 ms (Link to these results)

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