A0A061CVW2_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A061CVW2, 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
1S94.2Very high98.2Very high100 Ų10035.8 Ų35.870%0.69920%0.199SC*.  0161.9040.50000107.6V102S1-V102 WeakPolarHBondContact CA-O 3.35Å; S1-V102 VanDerWaalsContact CB-O 3.27Å; S1-V102 WeakPolarHBondContact CB-O 3.32Å
2H97.7Very high98.2Very high33 Ų3334.3 Ų34.315%0.15319%0.193CC..EExtended strand (participates in β ladder)trans-137.5159.1179.7-64.8-80.5000111.2D28 D101 V102 W106 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.25Å; H2-D28 IonicContact CE1-OD2 2.77Å; H2-D28 IonicContact CG-OD2 3.43Å; H2-D28 IonicContact ND1-OD1 3.58Å; H2-D28 IonicContact ND1-OD2 2.72Å; H2-D28 PolarHBondContact ND1-OD2 2.89Å; H2-D101 WeakPolarHBondContact O-CA 3.48Å; H2-V102 HydrophobicContact CB-CG2 4.02Å; H2-V102 PolarHBondContact N-O 3.15Å; H2-V102 PolarHBondContact O-N 2.86Å; H2-W106 AromaticContact CD2-CH2 3.81Å; H2-W106 AromaticContact CD2-CZ3 3.61Å; H2-L167 HydrophobicContact CB-CD1 4.44Å; H2-L171 HydrophobicContact CB-CD1 3.54Å; H2-L171 HydrophobicContact CB-CD2 4.27Å
3S98.4Very high98.1Very high23 Ų2337.3 Ų37.316%0.16120%0.2CC..EExtended strand (participates in β ladder)trans-134.7149.317866.40000111.7V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.59Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.43Å; S3-D28 PolarHBondContact N-OD1 2.98Å; S3-D28 PolarHBondContact O-N 2.88Å; S3-D28 PolarHBondContact OG-OD1 3.09Å; S3-C100 WeakPolarHBondContact CA-O 3.31Å; S3-D101 WeakPolarHBondContact CB-OD1 3.27Å
4M98.8Very high97.8Very high1 Ų138.8 Ų38.81%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-121127.3165-173.4169.859.500108.5Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.33Å; M4-Y6 HydrophobicContact CG-CE2 4.27Å; M4-Y6 HydrophobicContact SD-CE2 4.16Å; M4-Y26 CarbonylContact C-O 3.6Å; M4-Y26 WeakPolarHBondContact CA-O 3.4Å; M4-V27 HydrophobicContact CG-CG2 4.39Å; M4-F32 HydrophobicContact CG-CE1 4.46Å; M4-F32 HydrophobicContact SD-CZ 4.36Å; M4-G99 CarbonylContact O-C 3.56Å; M4-G99 WeakPolarHBondContact O-CA 3.31Å; M4-C100 PolarHBondContact N-O 2.9Å; M4-C100 PolarHBondContact O-N 3.49Å; M4-C163 HydrophobicContact CE-CB 4.14Å; M4-C163 WeakPolarHBondContact CE-O 3Å; M4-C163 WeakPolarHBondContact CE-SG 3.36Å; M4-W166 HydrophobicContact CE-CB 4.12Å; M4-W166 HydrophobicContact SD-CB 4.5Å; M4-L167 HydrophobicContact CB-CB 4.1Å; M4-L167 HydrophobicContact CB-CD1 4.01Å; M4-L167 HydrophobicContact CB-CD2 4.16Å; M4-L167 HydrophobicContact CB-CG 4.3Å; M4-L167 HydrophobicContact CE-CB 4.45Å; M4-Y170 HydrophobicContact SD-CD2 3.76Å; M4-Y170 HydrophobicContact SD-CE2 3.56Å; M4-Y170 VanDerWaalsContact SD-CE2 3.56Å
5R98.8Very high97.6Very high46 Ų4642.1 Ų42.117%0.17426%0.259CS..EExtended strand (participates in β ladder)trans-133.3138.5-178.5-58.2-63.5178.878.45.3111.2F7 G25 Y26 Y98 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.34Å; R5-F7 HydrophobicContact CB-CE2 3.51Å; R5-F7 HydrophobicContact CB-CZ 3.77Å; R5-F7 HydrophobicContact CG-CZ 4.38Å; R5-G25 CarbonylContact O-C 3.57Å; R5-G25 WeakPolarHBondContact O-CA 3.44Å; R5-Y26 PolarHBondContact N-O 3Å; R5-Y26 PolarHBondContact O-N 2.93Å; R5-Y98 WeakPolarHBondContact CA-O 3.21Å; R5-D101 IonicContact CZ-OD1 2.75Å; R5-D101 IonicContact NE-OD1 2.71Å; R5-D101 PolarHBondContact NE-OD1 3.21Å; R5-D101 IonicContact NH2-OD1 3.67Å; R5-D101 PolarHBondContact NH2-OD1 3.23Å; R5-D101 IonicContact NH2-OD2 3.53Å; R5-D101 PolarHBondContact NH2-OD2 3.17Å; R5-Y112 VanDerWaalsContact NH2-CZ 3.33Å; R5-Y112 PolarHBondContact NH2-OH 2.93Å
6Y98.9Very high97.4Very high9 Ų952.5 Ų52.54%0.03529%0.292CS..EExtended strand (participates in β ladder)trans-112.3135.1167.7-71.5-88.2000109.5M4 F8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.33Å; M4-Y6 HydrophobicContact CG-CE2 4.27Å; M4-Y6 HydrophobicContact SD-CE2 4.16Å; Y6-F8 HydrophobicContact CD1-CE1 4.26Å; Y6-F8 HydrophobicContact CG-CE1 4.47Å; Y6-V24 WeakPolarHBondContact CA-O 3.39Å; Y6-F32 HydrophobicContact CE1-CZ 4.09Å; Y6-F32 AromaticContact CZ-CZ 3.81Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.07Å; Y6-V33 HydrophobicContact CE1-CG2 4.06Å; Y6-M97 WeakPolarHBondContact O-CA 3.42Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.49Å; Y6-Y98 HydrophobicContact CD2-CD2 4.47Å; Y6-Y98 AromaticContact CD2-CE2 3.66Å; Y6-Y98 HydrophobicContact CD2-CE2 3.66Å; Y6-Y98 AromaticContact CD2-CZ 3.75Å; Y6-Y98 HydrophobicContact CE2-CE2 4.47Å; Y6-Y98 HydrophobicContact CG-CE1 4.29Å; Y6-Y98 HydrophobicContact CG-CE2 4.13Å; Y6-Y98 AromaticContact CG-CZ 3.74Å; Y6-Y98 PolarHBondContact N-O 3.49Å; Y6-Y98 PolarHBondContact O-N 2.89Å; Y6-Y98 VanDerWaalsContact O-N 3.16Å
7F98.9Very high97.1Very high81 Ų8152.8 Ų52.836%0.35531%0.309SS..EExtended strand (participates in β ladder)trans-122117.5178.5-56.5-94.5000109.2R5 A23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CD2 4.34Å; R5-F7 HydrophobicContact CB-CE2 3.51Å; R5-F7 HydrophobicContact CB-CZ 3.77Å; R5-F7 HydrophobicContact CG-CZ 4.38Å; F7-A23 WeakPolarHBondContact O-CA 3.35Å; F7-V24 HydrophobicContact CB-CG2 3.84Å; F7-V24 HydrophobicContact CD2-CG2 4.27Å; F7-V24 PolarHBondContact N-O 3.35Å; F7-V24 PolarHBondContact O-N 2.78Å; F7-Y26 HydrophobicContact CD2-CD2 4.01Å; F7-Y26 AromaticContact CE2-CD2 3.98Å; F7-Y26 HydrophobicContact CE2-CD2 3.98Å; F7-Y26 HydrophobicContact CE2-CG 4.47Å; F7-R96 WeakPolarHBondContact CA-O 3.44Å; F7-M97 HydrophobicContact CD1-CB 4.08Å; F7-M97 HydrophobicContact CD1-CG 3.64Å; F7-M97 HydrophobicContact CE1-CB 4.27Å; F7-M97 HydrophobicContact CE1-CG 3.42Å; F7-M97 VanDerWaalsContact CE1-CG 3.42Å; F7-M97 HydrophobicContact CZ-CG 4.14Å
8F98.8Very high97Very high3 Ų355.1 Ų55.11%0.01332%0.316CS..EExtended strand (participates in β ladder)trans-111.2136.9177.3-57-15.3000109.4Y6 F21 I22 A23 V66 H69 Q95 R96 Y98Y6-F8 HydrophobicContact CD1-CE1 4.26Å; Y6-F8 HydrophobicContact CG-CE1 4.47Å; F8-F21 HydrophobicContact CB-CE2 3.96Å; F8-F21 HydrophobicContact CB-CZ 3.96Å; F8-F21 HydrophobicContact CD1-CZ 4.21Å; F8-F21 HydrophobicContact CD2-CE2 4.26Å; F8-F21 AromaticContact CD2-CZ 3.89Å; F8-F21 HydrophobicContact CD2-CZ 3.89Å; F8-F21 HydrophobicContact CE2-CZ 4.42Å; F8-F21 HydrophobicContact CG-CE2 4.2Å; F8-F21 AromaticContact CG-CZ 3.77Å; F8-F21 HydrophobicContact CG-CZ 3.77Å; F8-I22 CarbonylContact C-O 3.59Å; F8-I22 WeakPolarHBondContact CA-O 3.49Å; F8-A23 HydrophobicContact CD1-CB 3.3Å; F8-A23 HydrophobicContact CE1-CB 3.47Å; F8-A23 VanDerWaalsContact CE1-CB 3.47Å; F8-A23 HydrophobicContact CG-CB 4.27Å; F8-A23 HydrophobicContact CZ-CB 4.49Å; F8-V66 HydrophobicContact CZ-CG1 4.47Å; F8-H69 HydrophobicContact CD2-CB 4.47Å; F8-H69 HydrophobicContact CE2-CB 4.17Å; F8-H69 AromaticContact CE2-CD2 3.5Å; F8-H69 AromaticContact CE2-CG 3.84Å; F8-Q95 CarbonylContact O-C 3.58Å; F8-Q95 VanDerWaalsContact O-CA 3.28Å; F8-Q95 WeakPolarHBondContact O-CA 3.43Å; F8-R96 HydrophobicContact CB-CB 4.23Å; F8-R96 PolarHBondContact N-O 3.23Å; F8-R96 PolarHBondContact O-N 2.9Å; F8-Y98 HydrophobicContact CD2-CE1 4.26Å; F8-Y98 HydrophobicContact CE1-CE1 4.18Å; F8-Y98 AromaticContact CE2-CE1 3.57Å; F8-Y98 HydrophobicContact CE2-CE1 3.57Å; F8-Y98 AromaticContact CZ-CE1 3.53Å; F8-Y98 HydrophobicContact CZ-CE1 3.53Å; F8-Y98 AromaticContact CZ-CZ 3.89Å; F8-Y98 VanDerWaalsContact CZ-OH 3.31Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.31Å
9T98.8Very high97.1Very high44 Ų4453.3 Ų53.327%0.2731%0.307SS..EExtended strand (participates in β ladder)trans-132.3125.8175.3-58.10000109.2V11 F21 I22 T93 Q95T9-V11 HydrophobicContact CG2-CG2 4.03Å; T9-F21 WeakPolarHBondContact O-CA 3.2Å; T9-I22 PolarHBondContact N-O 2.95Å; T9-I22 PolarHBondContact O-N 3.37Å; T9-T93 HydrophobicContact CG2-CG2 4Å; T9-Q95 HydrophobicContact CG2-CG 4.19Å
10S98.7Very high97.1Very high1 Ų155.2 Ų55.21%0.00731%0.309CS..EExtended strand (participates in β ladder)trans-118.2126.7172.8-62.40000110.1R20 F21 H73 T93 V94S10-R20 CarbonylContact C-O 3.56Å; S10-R20 VanDerWaalsContact CA-O 3.26Å; S10-R20 WeakPolarHBondContact CA-O 3.49Å; S10-F21 VanDerWaalsContact OG-CD2 3.23Å; S10-F21 WeakPolarHBondContact OG-CD2 3.47Å; S10-H73 WeakPolarHBondContact OG-CB 3.42Å; S10-H73 PolarHBondContact OG-ND1 3.01Å; S10-T93 CarbonylContact O-C 3.55Å; S10-T93 VanDerWaalsContact O-CA 3.3Å; S10-T93 WeakPolarHBondContact O-CA 3.4Å; S10-V94 PolarHBondContact N-O 2.98Å; S10-V94 PolarHBondContact O-N 2.83Å
11V98.6Very high97.2Very high53 Ų5352.6 Ų52.632%0.32129%0.294SS..EExtended strand (participates in β ladder)trans-120.6115.1179.2-172.90000108.9T9 P19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 4.03Å; V11-P19 CarbonylContact O-C 3.52Å; V11-P19 WeakPolarHBondContact O-CA 3.5Å; V11-P19 WeakPolarHBondContact O-CB 3.49Å; V11-R20 PolarHBondContact N-O 2.83Å; V11-R20 PolarHBondContact O-N 3.35Å; V11-H92 WeakPolarHBondContact CA-O 3.37Å; V11-T93 HydrophobicContact CG2-CG2 4.2Å
12S98.1Very high97.4Very high18 Ų1850.1 Ų50.113%0.12627%0.273CS..  trans-69.3147.7172.4720000110.2S91 H92S12-S91 PolarHBondContact O-OG 3.32Å; S12-H92 PolarHBondContact N-O 3.43Å; S12-H92 PolarHBondContact OG-N 2.96Å; S12-H92 PolarHBondContact OG-O 2.8Å
13R96.8Very high97.5Very high73 Ų7348.6 Ų48.628%0.27527%0.266SS..  trans-141.572.9-177.951.7175.3174.6-161.7-9.3110.9G15 R16 E18 D38R13-G15 PolarHBondContact O-N 2.9Å; R13-R16 HydrophobicContact CB-CB 4.14Å; R13-R16 WeakPolarHBondContact CD-O 3.35Å; R13-R16 HydrophobicContact CG-CB 4.17Å; R13-R16 PolarHBondContact NE-O 3.19Å; R13-R16 WeakPolarHBondContact O-CA 3.3Å; R13-R16 PolarHBondContact O-N 3.29Å; R13-E18 VanDerWaalsContact CZ-O 3.32Å; R13-E18 PolarHBondContact NE-O 2.93Å; R13-E18 PolarHBondContact NH2-O 3.04Å; R13-D38 IonicContact CZ-OD1 3.74Å; R13-D38 IonicContact CZ-OD2 2.82Å; R13-D38 IonicContact NH1-OD1 3.4Å; R13-D38 IonicContact NH1-OD2 3.8Å; R13-D38 PolarHBondContact NH1-OD2 2.97Å; R13-D38 IonicContact NH2-OD1 3.62Å; R13-D38 PolarHBondContact NH2-OD1 3.16Å; R13-D38 IonicContact NH2-OD2 3.18Å
14P94.4Very high97.5Very high58 Ų5848.9 Ų48.938%0.37727%0.267SS..THydrogen-bonded Turntrans-49.4131.5-176.7-26.834.8000112.3R16 E88 G90P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 3Å; P14-E88 WeakPolarHBondContact CB-O 3.41Å; P14-E88 WeakPolarHBondContact CG-O 3.5Å; P14-G90 VanDerWaalsContact CG-O 3.25Å; P14-G90 WeakPolarHBondContact CG-O 3.49Å
15G93.6Very high97.5Very high88 Ų8848.9 Ų48.991%0.90727%0.267SS*.THydrogen-bonded Turntrans75.71.3-17700000115.8R13R13-G15 PolarHBondContact O-N 2.9Å
16R94.9Very high97.5Very high209 Ų20950.1 Ų50.179%0.78927%0.272SS*.SBendtrans-125.325179.6-59-175.5179.9-179.90.3113.4R13 P14R13-R16 HydrophobicContact CB-CB 4.14Å; R13-R16 WeakPolarHBondContact CD-O 3.35Å; R13-R16 HydrophobicContact CG-CB 4.17Å; R13-R16 PolarHBondContact NE-O 3.19Å; R13-R16 WeakPolarHBondContact O-CA 3.3Å; R13-R16 PolarHBondContact O-N 3.29Å; P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 3Å
17G93.3Very high97.5Very high57 Ų5749.7 Ų49.759%0.58827%0.27SS*.SBendtrans92.4-162.8179.300000113.8
18E94.9Very high97.4Very high94 Ų9447.3 Ų47.344%0.43926%0.261SS..SBendtrans-69.7155-176.7-65.5-58.3160.700112.8R13 R20 R74R13-E18 VanDerWaalsContact CZ-O 3.32Å; R13-E18 PolarHBondContact NE-O 2.93Å; R13-E18 PolarHBondContact NH2-O 3.04Å; E18-R20 PolarHBondContact O-N 3.21Å; E18-R74 IonicContact OE1-CZ 3.4Å; E18-R74 IonicContact OE1-NH1 3.73Å; E18-R74 PolarHBondContact OE1-NH1 2.88Å; E18-R74 VanDerWaalsContact OE1-NH1 3.16Å; E18-R74 IonicContact OE1-NH2 2.69Å; E18-R74 PolarHBondContact OE1-NH2 2.89Å; E18-R74 WeakPolarHBondContact OE2-CD 3.42Å; E18-R74 IonicContact OE2-CZ 3.34Å; E18-R74 IonicContact OE2-NE 2.75Å; E18-R74 PolarHBondContact OE2-NE 2.71Å; E18-R74 IonicContact OE2-NH1 3.23Å; E18-R74 PolarHBondContact OE2-NH1 3.48Å; E18-R74 IonicContact OE2-NH2 3.51Å; E18-R74 PolarHBondContact OE2-NH2 2.97Å
19P97.6Very high97.4Very high22 Ų2250.2 Ų50.214%0.14328%0.277CS..PPolyproline II helixtrans-52.2133.2174.3-25.334.1000112V11 R74 L77V11-P19 CarbonylContact O-C 3.52Å; V11-P19 WeakPolarHBondContact O-CA 3.5Å; V11-P19 WeakPolarHBondContact O-CB 3.49Å; P19-R74 HydrophobicContact CG-CG 4.31Å; P19-L77 HydrophobicContact CB-CD1 3.57Å; P19-L77 HydrophobicContact CG-CD1 3.7Å
20R98.4Very high97.3Very high90 Ų9049.5 Ų49.534%0.3427%0.272SS..EExtended strand (participates in β ladder)trans-76129.2173.8-176.5-178.8-176.2-178.7-0.9108.6S10 V11 E18 I22 D36 S37 D38S10-R20 CarbonylContact C-O 3.56Å; S10-R20 VanDerWaalsContact CA-O 3.26Å; S10-R20 WeakPolarHBondContact CA-O 3.49Å; V11-R20 PolarHBondContact N-O 2.83Å; V11-R20 PolarHBondContact O-N 3.35Å; E18-R20 PolarHBondContact O-N 3.21Å; R20-I22 HydrophobicContact CG-CG1 4.33Å; R20-D36 IonicContact CZ-OD1 2.72Å; R20-D36 IonicContact CZ-OD2 3.6Å; R20-D36 IonicContact NE-OD1 2.94Å; R20-D36 PolarHBondContact NE-OD1 2.61Å; R20-D36 IonicContact NE-OD2 3.73Å; R20-D36 IonicContact NH2-OD1 3.52Å; R20-D36 PolarHBondContact NH2-OD1 2.84Å; R20-D36 IonicContact NH2-OD2 3.48Å; R20-D36 PolarHBondContact NH2-OD2 3.13Å; R20-S37 WeakPolarHBondContact CA-OG 3.43Å; R20-D38 VanDerWaalsContact CD-OD2 3.26Å; R20-D38 WeakPolarHBondContact CD-OD2 3.19Å; R20-D38 HydrophobicContact CG-CB 4.43Å; R20-D38 IonicContact NE-OD2 3.16Å
21F98.7Very high97.3Very high1 Ų152 Ų520%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-112.5125.7176.2178.8-86.8000110F8 T9 S10 A23 F35 S37 V66 H69 S70 H73F8-F21 HydrophobicContact CB-CE2 3.96Å; F8-F21 HydrophobicContact CB-CZ 3.96Å; F8-F21 HydrophobicContact CD1-CZ 4.21Å; F8-F21 HydrophobicContact CD2-CE2 4.26Å; F8-F21 AromaticContact CD2-CZ 3.89Å; F8-F21 HydrophobicContact CD2-CZ 3.89Å; F8-F21 HydrophobicContact CE2-CZ 4.42Å; F8-F21 HydrophobicContact CG-CE2 4.2Å; F8-F21 AromaticContact CG-CZ 3.77Å; F8-F21 HydrophobicContact CG-CZ 3.77Å; T9-F21 WeakPolarHBondContact O-CA 3.2Å; S10-F21 VanDerWaalsContact OG-CD2 3.23Å; S10-F21 WeakPolarHBondContact OG-CD2 3.47Å; F21-A23 HydrophobicContact CE1-CB 3.64Å; F21-A23 HydrophobicContact CZ-CB 4.07Å; F21-F35 AromaticContact CD1-CD1 3.71Å; F21-F35 HydrophobicContact CD1-CD1 3.71Å; F21-F35 AromaticContact CD1-CE1 3.8Å; F21-F35 HydrophobicContact CD1-CE1 3.8Å; F21-F35 HydrophobicContact CE1-CD1 4.04Å; F21-F35 HydrophobicContact CE1-CE1 4.4Å; F21-S37 PolarHBondContact N-OG 3.18Å; F21-S37 PolarHBondContact O-N 2.82Å; F21-S37 PolarHBondContact O-OG 3Å; F21-V66 HydrophobicContact CE1-CB 4.21Å; F21-H69 HydrophobicContact CE2-CB 4.25Å; F21-H69 HydrophobicContact CZ-CB 3.93Å; F21-S70 WeakPolarHBondContact CB-OG 3.37Å; F21-H73 HydrophobicContact CD2-CB 4.31Å; F21-H73 HydrophobicContact CE2-CB 4.49Å; F21-H73 AromaticContact CE2-CG 3.97Å; F21-H73 AromaticContact CE2-ND1 3.73Å
22I98.8Very high97.3Very high48 Ų4849.5 Ų49.525%0.24627%0.269CS..EExtended strand (participates in β ladder)trans-121.7132.6174.1-58.9173.7000107.9F8 T9 R20 V24 F35F8-I22 CarbonylContact C-O 3.59Å; F8-I22 WeakPolarHBondContact CA-O 3.49Å; T9-I22 PolarHBondContact N-O 2.95Å; T9-I22 PolarHBondContact O-N 3.37Å; R20-I22 HydrophobicContact CG-CG1 4.33Å; I22-V24 HydrophobicContact CG2-CG1 4.39Å; I22-F35 WeakPolarHBondContact CA-O 3.3Å
23A98.8Very high97.3Very high1 Ų148.7 Ų48.71%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-125.1136.8171.400000110F7 F8 F21 R34 F35 V66F7-A23 WeakPolarHBondContact O-CA 3.35Å; F8-A23 HydrophobicContact CD1-CB 3.3Å; F8-A23 HydrophobicContact CE1-CB 3.47Å; F8-A23 VanDerWaalsContact CE1-CB 3.47Å; F8-A23 HydrophobicContact CG-CB 4.27Å; F8-A23 HydrophobicContact CZ-CB 4.49Å; F21-A23 HydrophobicContact CE1-CB 3.64Å; F21-A23 HydrophobicContact CZ-CB 4.07Å; A23-R34 CarbonylContact O-C 3.56Å; A23-R34 VanDerWaalsContact O-CA 3.3Å; A23-R34 WeakPolarHBondContact O-CA 3.42Å; A23-F35 HydrophobicContact CB-CB 4.3Å; A23-F35 PolarHBondContact N-O 3.33Å; A23-F35 PolarHBondContact O-N 3.36Å; A23-V66 HydrophobicContact CB-CG1 4.02Å
24V98.9Very high97.4Very high30 Ų3049.3 Ų49.318%0.18227%0.265CS..EExtended strand (participates in β ladder)trans-133.3144.6172.9-62.70000109.9Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 WeakPolarHBondContact CA-O 3.39Å; F7-V24 HydrophobicContact CB-CG2 3.84Å; F7-V24 HydrophobicContact CD2-CG2 4.27Å; F7-V24 PolarHBondContact N-O 3.35Å; F7-V24 PolarHBondContact O-N 2.78Å; I22-V24 HydrophobicContact CG2-CG1 4.39Å; V24-Y26 HydrophobicContact CB-CE2 4.13Å; V24-Y26 HydrophobicContact CG2-CD2 4.31Å; V24-Y26 HydrophobicContact CG2-CE2 3.81Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.26Å; V24-V33 WeakPolarHBondContact CA-O 3.38Å; V24-R34 HydrophobicContact CG1-CB 4.42Å; V24-R34 HydrophobicContact CG1-CG 4.21Å
25G98.8Very high97.6Very high0 Ų046.6 Ų46.60%025%0.248CC..EExtended strand (participates in β ladder)trans-118.5138.6176.200000110.6R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.57Å; R5-G25 WeakPolarHBondContact O-CA 3.44Å; G25-Q31 WeakPolarHBondContact O-CA 3.23Å; G25-F32 WeakPolarHBondContact O-CD1 3.45Å; G25-F32 PolarHBondContact O-N 2.84Å; G25-V33 PolarHBondContact N-O 3.01Å; G25-V33 VanDerWaalsContact N-O 3.13Å
26Y98.8Very high97.9Very high73 Ų7343.1 Ų43.129%0.28621%0.208SC..EExtended strand (participates in β ladder)trans-125.6141.4178.1-77.7-102.1000110.7M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.6Å; M4-Y26 WeakPolarHBondContact CA-O 3.4Å; R5-Y26 PolarHBondContact N-O 3Å; R5-Y26 PolarHBondContact O-N 2.93Å; F7-Y26 HydrophobicContact CD2-CD2 4.01Å; F7-Y26 AromaticContact CE2-CD2 3.98Å; F7-Y26 HydrophobicContact CE2-CD2 3.98Å; F7-Y26 HydrophobicContact CE2-CG 4.47Å; V24-Y26 HydrophobicContact CB-CE2 4.13Å; V24-Y26 HydrophobicContact CG2-CD2 4.31Å; V24-Y26 HydrophobicContact CG2-CE2 3.81Å; Y26-T30 WeakPolarHBondContact CA-O 3.36Å; Y26-Q31 HydrophobicContact CD1-CB 4.08Å; Y26-Q31 HydrophobicContact CD2-CG 4.39Å; Y26-Q31 HydrophobicContact CE1-CB 3.58Å; Y26-Q31 HydrophobicContact CE1-CG 4.34Å; Y26-Q31 HydrophobicContact CE2-CB 4.06Å; Y26-Q31 HydrophobicContact CE2-CG 3.88Å
27V98.6Very high98Very high0 Ų033.9 Ų33.90%018%0.176CC..EExtended strand (participates in β ladder)trans-110.2117.9156.3176.90000106.1S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.59Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.43Å; M4-V27 HydrophobicContact CG-CG2 4.39Å; V27-D29 PolarHBondContact O-N 2.93Å; V27-T30 PolarHBondContact N-O 2.02Å; V27-T30 WeakPolarHBondContact O-CB 3.13Å; V27-T30 PolarHBondContact O-N 3.3Å; V27-F32 HydrophobicContact CG2-CD1 4.05Å; V27-F32 HydrophobicContact CG2-CE1 4.09Å; V27-W50 HydrophobicContact CG2-CH2 3.94Å; V27-W50 HydrophobicContact CG2-CZ2 4.44Å; V27-L167 HydrophobicContact CB-CD1 4.49Å; V27-L167 HydrophobicContact CG1-CD1 3.6Å; V27-L167 HydrophobicContact CG2-CD1 4.2Å; V27-Y170 HydrophobicContact CG2-CD2 3.97Å; V27-L171 HydrophobicContact CG1-CD2 3.83Å; V27-L171 HydrophobicContact CG1-CG 4.34Å; V27-L178 HydrophobicContact CB-CD1 4.28Å; V27-L178 HydrophobicContact CB-CD2 4.11Å; V27-L178 HydrophobicContact CG1-CD1 3.94Å; V27-L178 HydrophobicContact CG1-CD2 4.09Å
28D97.6Very high98.2Very high31 Ų3134.6 Ų34.617%0.16617%0.166CC..THydrogen-bonded Turntrans48.6-124.8-166.6-52.3-41.7000111H2 S3 T30H2-D28 WeakPolarHBondContact CA-OD1 3.25Å; H2-D28 IonicContact CE1-OD2 2.77Å; H2-D28 IonicContact CG-OD2 3.43Å; H2-D28 IonicContact ND1-OD1 3.58Å; H2-D28 IonicContact ND1-OD2 2.72Å; H2-D28 PolarHBondContact ND1-OD2 2.89Å; S3-D28 PolarHBondContact N-OD1 2.98Å; S3-D28 PolarHBondContact O-N 2.88Å; S3-D28 PolarHBondContact OG-OD1 3.09Å; D28-T30 VanDerWaalsContact C-N 3.32Å
29D97.6Very high98.3Very high64 Ų6431.6 Ų31.634%0.34216%0.157SC..THydrogen-bonded Turntrans-918.3179-64.3-50000113.4V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 2.93Å; D29-Y208 HydrophobicContact CB-CE2 3.84Å; D29-P209 VanDerWaalsContact OD2-CB 3.24Å; D29-P209 WeakPolarHBondContact OD2-CB 3Å; D29-A210 WeakPolarHBondContact OD2-CB 3.42Å; D29-A210 PolarHBondContact OD2-N 3.17Å; D29-F240 HydrophobicContact CB-CE2 3.8Å; D29-F240 HydrophobicContact CB-CZ 3.77Å
30T98Very high98.2Very high28 Ų2836 Ų3617%0.17220%0.196CC..EExtended strand (participates in β ladder)trans-104.6113-176.8-61.10000111.7Y26 V27 D28 F32 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.36Å; V27-T30 PolarHBondContact N-O 2.02Å; V27-T30 WeakPolarHBondContact O-CB 3.13Å; V27-T30 PolarHBondContact O-N 3.3Å; D28-T30 VanDerWaalsContact C-N 3.32Å; T30-F32 PolarHBondContact O-N 2.82Å; T30-L178 HydrophobicContact CG2-CD2 3.92Å; T30-Y208 PolarHBondContact OG1-OH 2.89Å
31Q98.4Very high97.8Very high55 Ų5534.7 Ų34.726%0.25720%0.2SC..EExtended strand (participates in β ladder)trans-68.7130.2172.3-167.9-179.2-0.900110.4V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.26Å; G25-Q31 WeakPolarHBondContact O-CA 3.23Å; Y26-Q31 HydrophobicContact CD1-CB 4.08Å; Y26-Q31 HydrophobicContact CD2-CG 4.39Å; Y26-Q31 HydrophobicContact CE1-CB 3.58Å; Y26-Q31 HydrophobicContact CE1-CG 4.34Å; Y26-Q31 HydrophobicContact CE2-CB 4.06Å; Y26-Q31 HydrophobicContact CE2-CG 3.88Å; Q31-V33 PolarHBondContact NE2-O 2.84Å; Q31-R47 HydrophobicContact CG-CB 4.19Å; Q31-R47 HydrophobicContact CG-CG 4.43Å
32F98.6Very high97.7Very high0 Ų038.5 Ų38.50%022%0.218CC..EExtended strand (participates in β ladder)trans-120.3-21.8-179.275-84.1000114.5M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.46Å; M4-F32 HydrophobicContact SD-CZ 4.36Å; Y6-F32 HydrophobicContact CE1-CZ 4.09Å; Y6-F32 AromaticContact CZ-CZ 3.81Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.07Å; G25-F32 WeakPolarHBondContact O-CD1 3.45Å; G25-F32 PolarHBondContact O-N 2.84Å; V27-F32 HydrophobicContact CG2-CD1 4.05Å; V27-F32 HydrophobicContact CG2-CE1 4.09Å; T30-F32 PolarHBondContact O-N 2.82Å; F32-R47 PolarHBondContact O-N 2.79Å; F32-A48 HydrophobicContact CB-CB 4.11Å; F32-W50 HydrophobicContact CB-CH2 3.14Å; F32-W50 HydrophobicContact CB-CZ2 3.3Å; F32-W50 HydrophobicContact CB-CZ3 4Å; F32-W50 HydrophobicContact CD1-CH2 4.03Å; F32-W50 AromaticContact CD2-CH2 3.75Å; F32-W50 HydrophobicContact CD2-CH2 3.75Å; F32-W50 HydrophobicContact CD2-CZ3 4.07Å; F32-W50 AromaticContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CZ2 4.04Å; F32-W50 HydrophobicContact CG-CZ3 4.17Å; F32-I51 HydrophobicContact CD2-CB 4.44Å; F32-I51 HydrophobicContact CD2-CD1 4.02Å; F32-I51 HydrophobicContact CD2-CG1 4.05Å; F32-I51 HydrophobicContact CE2-CD1 4.35Å; F32-I51 VanDerWaalsContact O-CG2 3.31Å; F32-I51 WeakPolarHBondContact O-CG2 3.48Å; F32-Y170 HydrophobicContact CE2-CD2 4.35Å; F32-Y170 AromaticContact CE2-CE2 3.73Å; F32-Y170 HydrophobicContact CE2-CE2 3.73Å; F32-Y170 HydrophobicContact CZ-CD2 4.38Å; F32-Y170 AromaticContact CZ-CE2 3.85Å; F32-Y170 HydrophobicContact CZ-CE2 3.85Å
33V98.7Very high97.7Very high1 Ų143.4 Ų43.41%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-141.4155.6176.6-72.50000112.9Y6 V24 G25 Q31 M44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 4.06Å; V24-V33 WeakPolarHBondContact CA-O 3.38Å; G25-V33 PolarHBondContact N-O 3.01Å; G25-V33 VanDerWaalsContact N-O 3.13Å; Q31-V33 PolarHBondContact NE2-O 2.84Å; V33-M44 HydrophobicContact CB-CG 4.08Å; V33-M44 HydrophobicContact CB-SD 3.69Å; V33-M44 HydrophobicContact CG1-CG 4.15Å; V33-M44 HydrophobicContact CG1-SD 4.4Å; V33-M44 HydrophobicContact CG2-CE 4.49Å; V33-M44 HydrophobicContact CG2-SD 4.08Å; V33-E45 VanDerWaalsContact CA-O 3.31Å; V33-E45 WeakPolarHBondContact CA-O 3.48Å; V33-I51 HydrophobicContact CG1-CG1 4.37Å; V33-W59 HydrophobicContact CG1-CH2 4.02Å; V33-W59 HydrophobicContact CG1-CZ3 3.85Å
34R98.6Very high97.7Very high85 Ų8543.7 Ų43.732%0.32124%0.235SC..EExtended strand (participates in β ladder)trans-145143.7172179.1175.5170.2170.6-3111.5A23 V24 D36 E45 R47A23-R34 CarbonylContact O-C 3.56Å; A23-R34 VanDerWaalsContact O-CA 3.3Å; A23-R34 WeakPolarHBondContact O-CA 3.42Å; V24-R34 HydrophobicContact CG1-CB 4.42Å; V24-R34 HydrophobicContact CG1-CG 4.21Å; R34-D36 IonicContact NH2-OD2 3.58Å; R34-D36 PolarHBondContact NH2-OD2 3.34Å; R34-E45 PolarHBondContact N-O 3.31Å; R34-E45 PolarHBondContact O-N 2.99Å; R34-R47 HydrophobicContact CB-CG 3.9Å
35F98.8Very high97.6Very high2 Ų245 Ų451%0.00924%0.239CC..EExtended strand (participates in β ladder)trans-129.9143.8163.4174.1-84000109.6F21 I22 A23 Q42 R43 M44 V66 K67F21-F35 AromaticContact CD1-CD1 3.71Å; F21-F35 HydrophobicContact CD1-CD1 3.71Å; F21-F35 AromaticContact CD1-CE1 3.8Å; F21-F35 HydrophobicContact CD1-CE1 3.8Å; F21-F35 HydrophobicContact CE1-CD1 4.04Å; F21-F35 HydrophobicContact CE1-CE1 4.4Å; I22-F35 WeakPolarHBondContact CA-O 3.3Å; A23-F35 HydrophobicContact CB-CB 4.3Å; A23-F35 PolarHBondContact N-O 3.33Å; A23-F35 PolarHBondContact O-N 3.36Å; F35-Q42 HydrophobicContact CE2-CB 4.24Å; F35-Q42 WeakPolarHBondContact CE2-O 2.93Å; F35-Q42 HydrophobicContact CZ-CB 4.33Å; F35-R43 WeakPolarHBondContact CD2-O 3.49Å; F35-M44 HydrophobicContact CB-CE 4.36Å; F35-M44 HydrophobicContact CB-SD 3.95Å; F35-V66 HydrophobicContact CB-CB 4.41Å; F35-V66 HydrophobicContact CB-CG2 3.92Å; F35-V66 HydrophobicContact CD1-CB 4.38Å; F35-V66 HydrophobicContact CD1-CG2 4.22Å; F35-V66 HydrophobicContact CD2-CB 4.4Å; F35-V66 HydrophobicContact CD2-CG2 3.42Å; F35-V66 VanDerWaalsContact CD2-CG2 3.42Å; F35-V66 HydrophobicContact CE2-CG2 3.92Å; F35-V66 HydrophobicContact CG-CB 4.16Å; F35-V66 HydrophobicContact CG-CG2 3.59Å; F35-K67 HydrophobicContact CE2-CG 4.09Å; F35-K67 HydrophobicContact CZ-CG 4.02Å
36D98.6Very high97.6Very high15 Ų1547.2 Ų47.28%0.0825%0.254CS..EExtended strand (participates in β ladder)trans-139120.2175.5-164.4-26.3000109.2R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 2.72Å; R20-D36 IonicContact CZ-OD2 3.6Å; R20-D36 IonicContact NE-OD1 2.94Å; R20-D36 PolarHBondContact NE-OD1 2.61Å; R20-D36 IonicContact NE-OD2 3.73Å; R20-D36 IonicContact NH2-OD1 3.52Å; R20-D36 PolarHBondContact NH2-OD1 2.84Å; R20-D36 IonicContact NH2-OD2 3.48Å; R20-D36 PolarHBondContact NH2-OD2 3.13Å; R34-D36 IonicContact NH2-OD2 3.58Å; R34-D36 PolarHBondContact NH2-OD2 3.34Å; D36-D38 PolarHBondContact O-N 2.68Å; D36-D38 PolarHBondContact OD1-N 2.85Å; D36-D38 VanDerWaalsContact OD1-N 3.14Å; D36-A39 HydrophobicContact CB-CB 4.17Å; D36-A39 WeakPolarHBondContact O-CB 3.48Å; D36-A39 PolarHBondContact O-N 2.88Å; D36-A39 VanDerWaalsContact O-N 3.12Å
37S98.2Very high97.6Very high15 Ų1549.3 Ų49.311%0.10526%0.261CS..THydrogen-bonded Turntrans-65-21.1-179.866.60000112.9R20 F21 Q42R20-S37 WeakPolarHBondContact CA-OG 3.43Å; F21-S37 PolarHBondContact N-OG 3.18Å; F21-S37 PolarHBondContact O-N 2.82Å; F21-S37 PolarHBondContact O-OG 3Å; S37-Q42 PolarHBondContact O-NE2 3.3Å
38D97.8Very high97.5Very high71 Ų7149.6 Ų49.638%0.3826%0.263SS..THydrogen-bonded Turntrans-88.5-5.1178.5-745000112.5R13 R20 D36R13-D38 IonicContact CZ-OD1 3.74Å; R13-D38 IonicContact CZ-OD2 2.82Å; R13-D38 IonicContact NH1-OD1 3.4Å; R13-D38 IonicContact NH1-OD2 3.8Å; R13-D38 PolarHBondContact NH1-OD2 2.97Å; R13-D38 IonicContact NH2-OD1 3.62Å; R13-D38 PolarHBondContact NH2-OD1 3.16Å; R13-D38 IonicContact NH2-OD2 3.18Å; R20-D38 VanDerWaalsContact CD-OD2 3.26Å; R20-D38 WeakPolarHBondContact CD-OD2 3.19Å; R20-D38 HydrophobicContact CG-CB 4.43Å; R20-D38 IonicContact NE-OD2 3.16Å; D36-D38 PolarHBondContact O-N 2.68Å; D36-D38 PolarHBondContact OD1-N 2.85Å; D36-D38 VanDerWaalsContact OD1-N 3.14Å
39A96.8Very high97.5Very high31 Ų3153 Ų5326%0.25629%0.287SS..SBendtrans-72147.9174.800000111.6D36 S41 Q42D36-A39 HydrophobicContact CB-CB 4.17Å; D36-A39 WeakPolarHBondContact O-CB 3.48Å; D36-A39 PolarHBondContact O-N 2.88Å; D36-A39 VanDerWaalsContact O-N 3.12Å; A39-S41 VanDerWaalsContact C-N 3.34Å; A39-S41 PolarHBondContact O-N 2.91Å; A39-Q42 WeakPolarHBondContact O-CG 3.29Å; A39-Q42 PolarHBondContact O-N 3.37Å
40A95.4Very high97.5Very high115 Ų11550.8 Ų50.895%0.9527%0.274SS*.THydrogen-bonded Turntrans-61.7-37.3-177.700000113.7
41S90.4Very high97.5Very high62 Ų6249.4 Ų49.443%0.43427%0.266SS..THydrogen-bonded Turntrans-88.7-15.4-177.157.40000113.6A39 R43A39-S41 VanDerWaalsContact C-N 3.34Å; A39-S41 PolarHBondContact O-N 2.91Å; S41-R43 VanDerWaalsContact C-N 3.31Å; S41-R43 WeakPolarHBondContact O-CG 3.03Å; S41-R43 PolarHBondContact O-N 3.03Å
42Q96Very high97.4Very high82 Ų8252.8 Ų52.838%0.38328%0.281SS..  trans34.359.2-175.1-62.4-174.6-15.900113F35 S37 A39 K67F35-Q42 HydrophobicContact CE2-CB 4.24Å; F35-Q42 WeakPolarHBondContact CE2-O 2.93Å; F35-Q42 HydrophobicContact CZ-CB 4.33Å; S37-Q42 PolarHBondContact O-NE2 3.3Å; A39-Q42 WeakPolarHBondContact O-CG 3.29Å; A39-Q42 PolarHBondContact O-N 3.37Å; Q42-K67 WeakPolarHBondContact O-CE 3.23Å; Q42-K67 PolarHBondContact O-NZ 3.03Å; Q42-K67 VanDerWaalsContact O-NZ 3.16Å
43R98Very high97.3Very high150 Ų15058.4 Ų58.457%0.56631%0.307SS*.  trans-124.3156.9178.9-80.6174-178.1-152.2-3.2110.6F35 S41 T63F35-R43 WeakPolarHBondContact CD2-O 3.49Å; S41-R43 VanDerWaalsContact C-N 3.31Å; S41-R43 WeakPolarHBondContact O-CG 3.03Å; S41-R43 PolarHBondContact O-N 3.03Å; R43-T63 HydrophobicContact CG-CG2 4.18Å
44M98.4Very high97.3Very high8 Ų859 Ų594%0.03931%0.31CS..  trans-70.1126.9164.7-171.965.685.800108V33 F35 W59 E62 T63 V66V33-M44 HydrophobicContact CB-CG 4.08Å; V33-M44 HydrophobicContact CB-SD 3.69Å; V33-M44 HydrophobicContact CG1-CG 4.15Å; V33-M44 HydrophobicContact CG1-SD 4.4Å; V33-M44 HydrophobicContact CG2-CE 4.49Å; V33-M44 HydrophobicContact CG2-SD 4.08Å; F35-M44 HydrophobicContact CB-CE 4.36Å; F35-M44 HydrophobicContact CB-SD 3.95Å; M44-W59 HydrophobicContact CB-CE3 4.27Å; M44-W59 HydrophobicContact CG-CE3 4.18Å; M44-W59 HydrophobicContact CG-CZ3 3.98Å; M44-E62 HydrophobicContact CB-CB 4.16Å; M44-E62 HydrophobicContact CE-CB 4.4Å; M44-E62 HydrophobicContact CG-CB 4.13Å; M44-T63 PolarHBondContact N-OG1 2.74Å; M44-V66 HydrophobicContact CE-CB 4.29Å; M44-V66 HydrophobicContact CE-CG1 3.35Å; M44-V66 HydrophobicContact CE-CG2 3.97Å
45E98.3Very high97.2Very high56 Ų5656.3 Ų56.326%0.26231%0.309SS..EExtended strand (participates in β ladder)trans-116.3140-174-65.3175.3160.900110.6V33 R34 R47V33-E45 VanDerWaalsContact CA-O 3.31Å; V33-E45 WeakPolarHBondContact CA-O 3.48Å; R34-E45 PolarHBondContact N-O 3.31Å; R34-E45 PolarHBondContact O-N 2.99Å; E45-R47 IonicContact OE2-CZ 3.5Å; E45-R47 IonicContact OE2-NH2 2.99Å; E45-R47 PolarHBondContact OE2-NH2 3.01Å
46P98.4Very high97.2Very high48 Ų4860.4 Ų60.431%0.31234%0.336SS..EExtended strand (participates in β ladder)trans-66.4145.3173.228.7-34.2000111.1I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.7Å; P46-E52 HydrophobicContact CB-CG 3.82Å; P46-E52 HydrophobicContact CG-CG 4.11Å; P46-W59 HydrophobicContact CB-CH2 3.63Å; P46-W59 HydrophobicContact CB-CZ2 3.96Å; P46-W59 HydrophobicContact CG-CH2 4.26Å; P46-W59 HydrophobicContact CG-CZ2 4.41Å
47R98Very high97.2Very high117 Ų11766.8 Ų66.844%0.44237%0.365SS..  trans-129.4-0.4174.2-60.5-64171.1-1720.1113.4Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.19Å; Q31-R47 HydrophobicContact CG-CG 4.43Å; F32-R47 PolarHBondContact O-N 2.79Å; R34-R47 HydrophobicContact CB-CG 3.9Å; E45-R47 IonicContact OE2-CZ 3.5Å; E45-R47 IonicContact OE2-NH2 2.99Å; E45-R47 PolarHBondContact OE2-NH2 3.01Å
48A97.3Very high97.2Very high5 Ų566.9 Ų66.94%0.04136%0.363CS..SBendtrans-137.3145.2173.100000110.7F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.11Å; A48-W50 VanDerWaalsContact C-N 3.3Å; A48-W50 HydrophobicContact CB-CD2 4.22Å; A48-W50 HydrophobicContact CB-CG 4.4Å; A48-W50 HydrophobicContact CB-CZ2 4.03Å; A48-W50 PolarHBondContact O-N 2.86Å; A48-I51 WeakPolarHBondContact O-CG2 3.35Å; A48-I51 PolarHBondContact O-N 3.48Å
49P97.2Very high97.2Very high104 Ų10465.3 Ų65.368%0.67535%0.352SS*.G310 helixtrans-59.6-37.4-176.6-26.334.8000114I51 E52P49-I51 PolarHBondContact O-N 3.17Å; P49-E52 WeakPolarHBondContact O-CB 3.43Å; P49-E52 PolarHBondContact O-N 3.46Å; P49-E52 VanDerWaalsContact O-N 3.13Å
50W97.3Very high97.3Very high16 Ų1667.8 Ų67.86%0.06136%0.361CS..G310 helixtrans-70-14.9-17553.3-105.6000114.4V27 F32 A48 Q53 Y170 T177 L178V27-W50 HydrophobicContact CG2-CH2 3.94Å; V27-W50 HydrophobicContact CG2-CZ2 4.44Å; F32-W50 HydrophobicContact CB-CH2 3.14Å; F32-W50 HydrophobicContact CB-CZ2 3.3Å; F32-W50 HydrophobicContact CB-CZ3 4Å; F32-W50 HydrophobicContact CD1-CH2 4.03Å; F32-W50 AromaticContact CD2-CH2 3.75Å; F32-W50 HydrophobicContact CD2-CH2 3.75Å; F32-W50 HydrophobicContact CD2-CZ3 4.07Å; F32-W50 AromaticContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CZ2 4.04Å; F32-W50 HydrophobicContact CG-CZ3 4.17Å; A48-W50 VanDerWaalsContact C-N 3.3Å; A48-W50 HydrophobicContact CB-CD2 4.22Å; A48-W50 HydrophobicContact CB-CG 4.4Å; A48-W50 HydrophobicContact CB-CZ2 4.03Å; A48-W50 PolarHBondContact O-N 2.86Å; W50-Q53 WeakPolarHBondContact O-CG 3.43Å; W50-Q53 PolarHBondContact O-NE2 2.97Å; W50-Y170 HydrophobicContact CE3-CD1 4.38Å; W50-Y170 HydrophobicContact CH2-CD2 4.43Å; W50-Y170 HydrophobicContact CH2-CG 4.12Å; W50-Y170 AromaticContact CZ3-CD1 3.69Å; W50-Y170 HydrophobicContact CZ3-CD1 3.69Å; W50-Y170 HydrophobicContact CZ3-CD2 4.25Å; W50-Y170 HydrophobicContact CZ3-CE1 4.43Å; W50-Y170 AromaticContact CZ3-CG 3.6Å; W50-Y170 HydrophobicContact CZ3-CG 3.6Å; W50-T177 VanDerWaalsContact CD1-OG1 3.32Å; W50-L178 HydrophobicContact CD2-CD1 4.34Å; W50-L178 HydrophobicContact CH2-CD1 4.3Å; W50-L178 HydrophobicContact CZ2-CD1 3.77Å; W50-L178 HydrophobicContact CZ2-CD2 4.07Å; W50-L178 HydrophobicContact CZ2-CG 4.35Å
51I98.2Very high97.4Very high0 Ų062.9 Ų62.90%032%0.322CS..G310 helixtrans-88.4-18.9174.4-163.771.2000111.9F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CB 4.44Å; F32-I51 HydrophobicContact CD2-CD1 4.02Å; F32-I51 HydrophobicContact CD2-CG1 4.05Å; F32-I51 HydrophobicContact CE2-CD1 4.35Å; F32-I51 VanDerWaalsContact O-CG2 3.31Å; F32-I51 WeakPolarHBondContact O-CG2 3.48Å; V33-I51 HydrophobicContact CG1-CG1 4.37Å; P46-I51 HydrophobicContact CB-CG2 3.7Å; A48-I51 WeakPolarHBondContact O-CG2 3.35Å; A48-I51 PolarHBondContact O-N 3.48Å; P49-I51 PolarHBondContact O-N 3.17Å; I51-Q53 PolarHBondContact O-N 3.01Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; I51-E54 HydrophobicContact CD1-CG 3.65Å; I51-E54 HydrophobicContact CG1-CG 4.21Å; I51-E54 WeakPolarHBondContact O-CB 3.36Å; I51-E54 WeakPolarHBondContact O-CG 3.22Å; I51-E54 PolarHBondContact O-N 2.93Å; I51-Y58 HydrophobicContact CD1-CE1 4.12Å; I51-Y58 HydrophobicContact CG1-CE1 4.15Å; I51-W59 HydrophobicContact CB-CH2 4.45Å; I51-W59 HydrophobicContact CG1-CH2 3.75Å; I51-W59 HydrophobicContact CG1-CZ2 3.98Å; I51-W59 HydrophobicContact CG2-CH2 3.97Å; I51-W59 HydrophobicContact CG2-CZ2 4.33Å; I51-W59 WeakPolarHBondContact O-CZ2 3.38Å; I51-Y170 HydrophobicContact CD1-CD1 3.87Å; I51-Y170 HydrophobicContact CD1-CE1 3.31Å
52E97.3Very high97.8Very high126 Ų12661 Ų6159%0.58931%0.306SS*.THydrogen-bonded Turntrans-64.5-22.3-176.7-64.5-178.3-174.700113.3P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.82Å; P46-E52 HydrophobicContact CG-CG 4.11Å; P49-E52 WeakPolarHBondContact O-CB 3.43Å; P49-E52 PolarHBondContact O-N 3.46Å; P49-E52 VanDerWaalsContact O-N 3.13Å; E52-E54 PolarHBondContact O-N 2.93Å
53Q96.3Very high97.9Very high117 Ų11757.7 Ų57.755%0.54729%0.291SS..THydrogen-bonded Turntrans-71.7-12.8175.571.4-172.8-36.900114W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.43Å; W50-Q53 PolarHBondContact O-NE2 2.97Å; I51-Q53 PolarHBondContact O-N 3.01Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; Q53-N173 PolarHBondContact NE2-ND2 3.46Å
54E98Very high97.9Very high14 Ų1458.8 Ų58.87%0.06530%0.295CS..SBendtrans-66.7137.7176.2-63.9-60.7165.900110.9I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.65Å; I51-E54 HydrophobicContact CG1-CG 4.21Å; I51-E54 WeakPolarHBondContact O-CB 3.36Å; I51-E54 WeakPolarHBondContact O-CG 3.22Å; I51-E54 PolarHBondContact O-N 2.93Å; E52-E54 PolarHBondContact O-N 2.93Å; E54-Y58 HydrophobicContact CB-CD1 3.59Å; E54-Y58 HydrophobicContact CB-CE1 4.27Å; E54-Y58 HydrophobicContact CB-CG 3.74Å; E54-Y58 HydrophobicContact CG-CD1 4.07Å; E54-Y58 HydrophobicContact CG-CD2 4.46Å; E54-Y58 HydrophobicContact CG-CE1 4.33Å; E54-Y58 HydrophobicContact CG-CG 4.14Å; E54-W59 PolarHBondContact O-NE1 3.21Å; E54-R169 IonicContact OE1-CZ 3.81Å; E54-R169 IonicContact OE1-NE 3.56Å; E54-R169 PolarHBondContact OE1-NE 2.86Å; E54-R169 IonicContact OE1-NH2 3.56Å; E54-R169 PolarHBondContact OE1-NH2 2.84Å; E54-R169 IonicContact OE2-CZ 3.03Å; E54-R169 IonicContact OE2-NE 2.83Å; E54-R169 PolarHBondContact OE2-NE 3.32Å; E54-R169 IonicContact OE2-NH2 2.66Å; E54-R169 PolarHBondContact OE2-NH2 2.88Å; E54-N173 PolarHBondContact OE1-ND2 2.97Å
55G97.7Very high97.9Very high28 Ų2863.6 Ų63.629%0.28932%0.316SS..  trans-70.4168.7-174.500000114.2E57 Y58 W59G55-E57 PolarHBondContact O-N 2.96Å; G55-E57 VanDerWaalsContact O-N 3.14Å; G55-Y58 WeakPolarHBondContact O-CB 3.47Å; G55-Y58 PolarHBondContact O-N 2.94Å; G55-W59 VanDerWaalsContact O-CD1 3.3Å; G55-W59 PolarHBondContact O-N 3.11Å
56P97.8Very high97.9Very high88 Ų8861.1 Ų61.157%0.57131%0.305SS*.Hα-helixtrans-52.7-35.6178.5-2533.6000113.9Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 2.82Å; P56-W59 PolarHBondContact O-N 2.62Å; P56-D60 WeakPolarHBondContact O-CB 3.36Å; P56-D60 PolarHBondContact O-N 2.72Å
57E98.1Very high97.9Very high149 Ų14962.7 Ų62.770%0.69631%0.307SS*.Hα-helixtrans-63.1-34.9-179.6-61.678.5-172.300112.3G55 G61G55-E57 PolarHBondContact O-N 2.96Å; G55-E57 VanDerWaalsContact O-N 3.14Å; E57-G61 PolarHBondContact O-N 3.13Å
58Y98.3Very high97.9Very high18 Ų1859.8 Ų59.87%0.07131%0.308CS..Hα-helixtrans-64.4-53.8173.7173.5-95000109.9I51 E54 G55 P56 D60 G61 E62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.12Å; I51-Y58 HydrophobicContact CG1-CE1 4.15Å; E54-Y58 HydrophobicContact CB-CD1 3.59Å; E54-Y58 HydrophobicContact CB-CE1 4.27Å; E54-Y58 HydrophobicContact CB-CG 3.74Å; E54-Y58 HydrophobicContact CG-CD1 4.07Å; E54-Y58 HydrophobicContact CG-CD2 4.46Å; E54-Y58 HydrophobicContact CG-CE1 4.33Å; E54-Y58 HydrophobicContact CG-CG 4.14Å; G55-Y58 WeakPolarHBondContact O-CB 3.47Å; G55-Y58 PolarHBondContact O-N 2.94Å; P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 2.82Å; Y58-D60 PolarHBondContact O-N 2.99Å; Y58-G61 PolarHBondContact O-N 2.82Å; Y58-E62 HydrophobicContact CD1-CG 4.35Å; Y58-E62 HydrophobicContact CD2-CG 4.16Å; Y58-E62 HydrophobicContact CE1-CG 3.97Å; Y58-E62 HydrophobicContact CE2-CG 3.76Å; Y58-E62 HydrophobicContact CG-CG 4.44Å; Y58-E62 WeakPolarHBondContact O-CB 3.19Å; Y58-E62 WeakPolarHBondContact O-CG 3.47Å; Y58-E62 PolarHBondContact O-N 3.12Å; Y58-W166 AromaticContact CD2-CH2 3.53Å; Y58-W166 HydrophobicContact CD2-CH2 3.53Å; Y58-W166 HydrophobicContact CD2-CZ2 4.17Å; Y58-W166 AromaticContact CD2-CZ3 3.9Å; Y58-W166 HydrophobicContact CD2-CZ3 3.9Å; Y58-W166 HydrophobicContact CE2-CE3 4.37Å; Y58-W166 AromaticContact CE2-CH2 3.88Å; Y58-W166 HydrophobicContact CE2-CH2 3.88Å; Y58-W166 HydrophobicContact CE2-CZ2 4.41Å; Y58-W166 AromaticContact CE2-CZ3 3.85Å; Y58-W166 HydrophobicContact CE2-CZ3 3.85Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.41Å; Y58-Y170 PolarHBondContact OH-OH 3.08Å
59W98.5Very high97.9Very high38 Ų3861.8 Ų61.814%0.14432%0.316CS..Hα-helixtrans-63.9-41-176.8-64.5111.5000113.1V33 M44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.02Å; V33-W59 HydrophobicContact CG1-CZ3 3.85Å; M44-W59 HydrophobicContact CB-CE3 4.27Å; M44-W59 HydrophobicContact CG-CE3 4.18Å; M44-W59 HydrophobicContact CG-CZ3 3.98Å; P46-W59 HydrophobicContact CB-CH2 3.63Å; P46-W59 HydrophobicContact CB-CZ2 3.96Å; P46-W59 HydrophobicContact CG-CH2 4.26Å; P46-W59 HydrophobicContact CG-CZ2 4.41Å; I51-W59 HydrophobicContact CB-CH2 4.45Å; I51-W59 HydrophobicContact CG1-CH2 3.75Å; I51-W59 HydrophobicContact CG1-CZ2 3.98Å; I51-W59 HydrophobicContact CG2-CH2 3.97Å; I51-W59 HydrophobicContact CG2-CZ2 4.33Å; I51-W59 WeakPolarHBondContact O-CZ2 3.38Å; E54-W59 PolarHBondContact O-NE1 3.21Å; G55-W59 VanDerWaalsContact O-CD1 3.3Å; G55-W59 PolarHBondContact O-N 3.11Å; P56-W59 PolarHBondContact O-N 2.62Å; W59-T63 WeakPolarHBondContact O-CB 3.47Å; W59-T63 PolarHBondContact O-N 3.01Å; W59-T63 PolarHBondContact O-OG1 2.7Å
60D98.4Very high97.9Very high83 Ų8357.6 Ų57.644%0.44429%0.29SS..Hα-helixtrans-68.8-36.6175.7-75.9-17.8000111.7P56 Y58 R64P56-D60 WeakPolarHBondContact O-CB 3.36Å; P56-D60 PolarHBondContact O-N 2.72Å; Y58-D60 PolarHBondContact O-N 2.99Å; D60-R64 WeakPolarHBondContact O-CB 3.39Å; D60-R64 WeakPolarHBondContact O-CG 3.39Å; D60-R64 PolarHBondContact O-N 3.42Å; D60-R64 VanDerWaalsContact O-N 3.1Å; D60-R64 PolarHBondContact O-NE 2.99Å
61G98.3Very high97.9Very high12 Ų1262 Ų6212%0.12431%0.31CS..Hα-helixtrans-64-53.817400000112.1E57 Y58 R64 K65E57-G61 PolarHBondContact O-N 3.13Å; Y58-G61 PolarHBondContact O-N 2.82Å; G61-R64 PolarHBondContact O-N 3.24Å; G61-K65 WeakPolarHBondContact O-CG 3.35Å; G61-K65 PolarHBondContact O-N 3.34Å
62E98.3Very high97.9Very high22 Ų2265.3 Ų65.310%0.10333%0.331CS..Hα-helixtrans-62.4-44.9179.3-68.9-48.2115.500111.1M44 Y58 R64 K65 V66M44-E62 HydrophobicContact CB-CB 4.16Å; M44-E62 HydrophobicContact CE-CB 4.4Å; M44-E62 HydrophobicContact CG-CB 4.13Å; Y58-E62 HydrophobicContact CD1-CG 4.35Å; Y58-E62 HydrophobicContact CD2-CG 4.16Å; Y58-E62 HydrophobicContact CE1-CG 3.97Å; Y58-E62 HydrophobicContact CE2-CG 3.76Å; Y58-E62 HydrophobicContact CG-CG 4.44Å; Y58-E62 WeakPolarHBondContact O-CB 3.19Å; Y58-E62 WeakPolarHBondContact O-CG 3.47Å; Y58-E62 PolarHBondContact O-N 3.12Å; E62-R64 VanDerWaalsContact C-N 3.33Å; E62-R64 PolarHBondContact O-N 2.95Å; E62-K65 WeakPolarHBondContact O-CB 3.31Å; E62-K65 PolarHBondContact O-N 2.66Å; E62-K65 VanDerWaalsContact O-N 3.1Å; E62-K65 IonicContact OE1-NZ 3.66Å; E62-K65 PolarHBondContact OE1-NZ 2.8Å; E62-V66 WeakPolarHBondContact O-CG2 3.26Å; E62-V66 PolarHBondContact O-N 3.2Å
63T98.6Very high97.9Very high13 Ų1359.3 Ų59.38%0.0830%0.303CS..Hα-helixtrans-56.7-45175.7-63.50000112R43 M44 W59 V66 K67R43-T63 HydrophobicContact CG-CG2 4.18Å; M44-T63 PolarHBondContact N-OG1 2.74Å; W59-T63 WeakPolarHBondContact O-CB 3.47Å; W59-T63 PolarHBondContact O-N 3.01Å; W59-T63 PolarHBondContact O-OG1 2.7Å; T63-V66 WeakPolarHBondContact O-CG2 3.44Å; T63-K67 HydrophobicContact CG2-CD 4.28Å; T63-K67 WeakPolarHBondContact O-CB 3.3Å; T63-K67 WeakPolarHBondContact O-CG 3.41Å; T63-K67 PolarHBondContact O-N 3.26Å
64R98.4Very high97.9Very high172 Ų17258.9 Ų58.965%0.64930%0.296SS*.Hα-helixtrans-62.8-43.4176.1-79.8-178-70.1134.5-6.9111.7D60 G61 E62 K67 A68D60-R64 WeakPolarHBondContact O-CB 3.39Å; D60-R64 WeakPolarHBondContact O-CG 3.39Å; D60-R64 PolarHBondContact O-N 3.42Å; D60-R64 VanDerWaalsContact O-N 3.1Å; D60-R64 PolarHBondContact O-NE 2.99Å; G61-R64 PolarHBondContact O-N 3.24Å; E62-R64 VanDerWaalsContact C-N 3.33Å; E62-R64 PolarHBondContact O-N 2.95Å; R64-K67 PolarHBondContact O-N 3.41Å; R64-A68 PolarHBondContact O-N 3.18Å
65K97.7Very high97.9Very high109 Ų10962.6 Ų62.647%0.47432%0.32SS..Hα-helixtrans-60.6-50177.8-70.1172.6-168.3166.70111.3G61 E62 K67 A68 H69G61-K65 WeakPolarHBondContact O-CG 3.35Å; G61-K65 PolarHBondContact O-N 3.34Å; E62-K65 WeakPolarHBondContact O-CB 3.31Å; E62-K65 PolarHBondContact O-N 2.66Å; E62-K65 VanDerWaalsContact O-N 3.1Å; E62-K65 IonicContact OE1-NZ 3.66Å; E62-K65 PolarHBondContact OE1-NZ 2.8Å; K65-K67 VanDerWaalsContact C-N 3.34Å; K65-K67 PolarHBondContact O-N 2.78Å; K65-A68 WeakPolarHBondContact O-CB 3.37Å; K65-A68 PolarHBondContact O-N 2.98Å; K65-H69 PolarHBondContact O-N 3.26Å; K65-H69 PolarHBondContact O-ND1 3.18Å
66V97.8Very high97.9Very high5 Ų563.4 Ų63.43%0.0332%0.318CS..Hα-helixtrans-68.1-31.8-179.5-74.60000113.2F8 F21 A23 F35 M44 E62 T63 H69 S70F8-V66 HydrophobicContact CZ-CG1 4.47Å; F21-V66 HydrophobicContact CE1-CB 4.21Å; A23-V66 HydrophobicContact CB-CG1 4.02Å; F35-V66 HydrophobicContact CB-CB 4.41Å; F35-V66 HydrophobicContact CB-CG2 3.92Å; F35-V66 HydrophobicContact CD1-CB 4.38Å; F35-V66 HydrophobicContact CD1-CG2 4.22Å; F35-V66 HydrophobicContact CD2-CB 4.4Å; F35-V66 HydrophobicContact CD2-CG2 3.42Å; F35-V66 VanDerWaalsContact CD2-CG2 3.42Å; F35-V66 HydrophobicContact CE2-CG2 3.92Å; F35-V66 HydrophobicContact CG-CB 4.16Å; F35-V66 HydrophobicContact CG-CG2 3.59Å; M44-V66 HydrophobicContact CE-CB 4.29Å; M44-V66 HydrophobicContact CE-CG1 3.35Å; M44-V66 HydrophobicContact CE-CG2 3.97Å; E62-V66 WeakPolarHBondContact O-CG2 3.26Å; E62-V66 PolarHBondContact O-N 3.2Å; T63-V66 WeakPolarHBondContact O-CG2 3.44Å; V66-H69 PolarHBondContact O-N 2.96Å; V66-S70 WeakPolarHBondContact O-CB 3.38Å; V66-S70 PolarHBondContact O-N 3.21Å
67K98.1Very high97.9Very high81 Ų8159.7 Ų59.735%0.35229%0.293SS..Hα-helixtrans-64.4-41.5171.2-76.1-174.8178.9-174.60112.2F35 Q42 T63 R64 K65 S70 Q71F35-K67 HydrophobicContact CE2-CG 4.09Å; F35-K67 HydrophobicContact CZ-CG 4.02Å; Q42-K67 WeakPolarHBondContact O-CE 3.23Å; Q42-K67 PolarHBondContact O-NZ 3.03Å; Q42-K67 VanDerWaalsContact O-NZ 3.16Å; T63-K67 HydrophobicContact CG2-CD 4.28Å; T63-K67 WeakPolarHBondContact O-CB 3.3Å; T63-K67 WeakPolarHBondContact O-CG 3.41Å; T63-K67 PolarHBondContact O-N 3.26Å; R64-K67 PolarHBondContact O-N 3.41Å; K65-K67 VanDerWaalsContact C-N 3.34Å; K65-K67 PolarHBondContact O-N 2.78Å; K67-S70 WeakPolarHBondContact O-CB 3.33Å; K67-S70 PolarHBondContact O-N 3.29Å; K67-Q71 PolarHBondContact O-N 2.91Å
68A98.1Very high97.8Very high56 Ų5654.3 Ų54.346%0.46328%0.277SS..Hα-helixtrans-61.9-44.4173.900000111.3R64 K65 S70 Q71 T72R64-A68 PolarHBondContact O-N 3.18Å; K65-A68 WeakPolarHBondContact O-CB 3.37Å; K65-A68 PolarHBondContact O-N 2.98Å; A68-S70 VanDerWaalsContact C-N 3.33Å; A68-S70 PolarHBondContact O-N 3.27Å; A68-Q71 PolarHBondContact O-N 2.86Å; A68-Q71 VanDerWaalsContact O-N 3.15Å; A68-T72 PolarHBondContact O-N 3.31Å; A68-T72 PolarHBondContact O-OG1 2.91Å
69H97.4Very high97.8Very high47 Ų4755.9 Ų55.922%0.21829%0.289CS..Hα-helixtrans-62-38176.1-77.279000113.2F8 F21 K65 V66 Q71 T72 H73 R96F8-H69 HydrophobicContact CD2-CB 4.47Å; F8-H69 HydrophobicContact CE2-CB 4.17Å; F8-H69 AromaticContact CE2-CD2 3.5Å; F8-H69 AromaticContact CE2-CG 3.84Å; F21-H69 HydrophobicContact CE2-CB 4.25Å; F21-H69 HydrophobicContact CZ-CB 3.93Å; K65-H69 PolarHBondContact O-N 3.26Å; K65-H69 PolarHBondContact O-ND1 3.18Å; V66-H69 PolarHBondContact O-N 2.96Å; H69-Q71 VanDerWaalsContact C-N 3.31Å; H69-Q71 PolarHBondContact O-N 3.23Å; H69-T72 PolarHBondContact O-N 3.33Å; H69-H73 PolarHBondContact O-CD2 3.27Å; H69-H73 PolarHBondContact O-N 2.84Å; H69-R96 PolarHBondContact CD2-NH1 3.19Å; H69-R96 PolarHBondContact NE2-NH1 3.13Å
70S97.6Very high97.8Very high16 Ų1654.5 Ų54.511%0.11228%0.284CS..Hα-helixtrans-59.3-41.8173.6173.80000111.9F21 V66 K67 A68 R74F21-S70 WeakPolarHBondContact CB-OG 3.37Å; V66-S70 WeakPolarHBondContact O-CB 3.38Å; V66-S70 PolarHBondContact O-N 3.21Å; K67-S70 WeakPolarHBondContact O-CB 3.33Å; K67-S70 PolarHBondContact O-N 3.29Å; A68-S70 VanDerWaalsContact C-N 3.33Å; A68-S70 PolarHBondContact O-N 3.27Å; S70-R74 PolarHBondContact O-N 2.89Å; S70-R74 VanDerWaalsContact O-N 3.1Å
71Q97.7Very high97.7Very high107 Ų10754.1 Ų54.150%0.528%0.276SS..Hα-helixtrans-68.8-41.5174.9-61.3-51.8-4800112.2K67 A68 H69 R74 V75K67-Q71 PolarHBondContact O-N 2.91Å; A68-Q71 PolarHBondContact O-N 2.86Å; A68-Q71 VanDerWaalsContact O-N 3.15Å; H69-Q71 VanDerWaalsContact C-N 3.31Å; H69-Q71 PolarHBondContact O-N 3.23Å; Q71-R74 WeakPolarHBondContact O-CB 3.44Å; Q71-R74 PolarHBondContact O-N 2.76Å; Q71-V75 PolarHBondContact O-N 3.04Å; Q71-V75 VanDerWaalsContact O-N 3.13Å
72T97.3Very high97.6Very high70 Ų7055.6 Ų55.643%0.42929%0.292SS..Hα-helixtrans-58.3-50.2174.9-56.90000111.1A68 H69 R74 V75 D76A68-T72 PolarHBondContact O-N 3.31Å; A68-T72 PolarHBondContact O-OG1 2.91Å; H69-T72 PolarHBondContact O-N 3.33Å; T72-R74 VanDerWaalsContact C-N 3.26Å; T72-R74 PolarHBondContact O-N 2.96Å; T72-V75 WeakPolarHBondContact O-CA 3.5Å; T72-V75 WeakPolarHBondContact O-CB 3.26Å; T72-V75 PolarHBondContact O-N 3.36Å; T72-D76 VanDerWaalsContact O-CG 3.22Å; T72-D76 PolarHBondContact O-N 2.75Å
73H97.4Very high97.6Very high0 Ų057.4 Ų57.40%030%0.298CS..Hα-helixtrans-63.5-30.7179.4-79.4-146.7000113S10 F21 H69 D76 L77 Y115S10-H73 WeakPolarHBondContact OG-CB 3.42Å; S10-H73 PolarHBondContact OG-ND1 3.01Å; F21-H73 HydrophobicContact CD2-CB 4.31Å; F21-H73 HydrophobicContact CE2-CB 4.49Å; F21-H73 AromaticContact CE2-CG 3.97Å; F21-H73 AromaticContact CE2-ND1 3.73Å; H69-H73 PolarHBondContact O-CD2 3.27Å; H69-H73 PolarHBondContact O-N 2.84Å; H73-D76 PolarHBondContact O-N 2.75Å; H73-L77 WeakPolarHBondContact O-CB 3.42Å; H73-L77 WeakPolarHBondContact O-CG 3.28Å; H73-L77 PolarHBondContact O-N 3.14Å; H73-Y115 AromaticContact NE2-CE1 3.88Å
74R97.4Very high97.6Very high108 Ų10860 Ų6041%0.40831%0.307SS..Hα-helixtrans-62.5-44.5172.2173.7-171.8168.2160.614111E18 P19 S70 Q71 T72 D76 G78E18-R74 IonicContact OE1-CZ 3.4Å; E18-R74 IonicContact OE1-NH1 3.73Å; E18-R74 PolarHBondContact OE1-NH1 2.88Å; E18-R74 VanDerWaalsContact OE1-NH1 3.16Å; E18-R74 IonicContact OE1-NH2 2.69Å; E18-R74 PolarHBondContact OE1-NH2 2.89Å; E18-R74 WeakPolarHBondContact OE2-CD 3.42Å; E18-R74 IonicContact OE2-CZ 3.34Å; E18-R74 IonicContact OE2-NE 2.75Å; E18-R74 PolarHBondContact OE2-NE 2.71Å; E18-R74 IonicContact OE2-NH1 3.23Å; E18-R74 PolarHBondContact OE2-NH1 3.48Å; E18-R74 IonicContact OE2-NH2 3.51Å; E18-R74 PolarHBondContact OE2-NH2 2.97Å; P19-R74 HydrophobicContact CG-CG 4.31Å; S70-R74 PolarHBondContact O-N 2.89Å; S70-R74 VanDerWaalsContact O-N 3.1Å; Q71-R74 WeakPolarHBondContact O-CB 3.44Å; Q71-R74 PolarHBondContact O-N 2.76Å; T72-R74 VanDerWaalsContact C-N 3.26Å; T72-R74 PolarHBondContact O-N 2.96Å; R74-D76 VanDerWaalsContact C-N 3.35Å; R74-G78 PolarHBondContact O-N 2.9Å
75V97.5Very high97.5Very high93 Ų9359 Ų5956%0.56432%0.315SS*.Hα-helixtrans-66-40.3175.5176.40000110.7Q71 T72 L77 G78 T79Q71-V75 PolarHBondContact O-N 3.04Å; Q71-V75 VanDerWaalsContact O-N 3.13Å; T72-V75 WeakPolarHBondContact O-CA 3.5Å; T72-V75 WeakPolarHBondContact O-CB 3.26Å; T72-V75 PolarHBondContact O-N 3.36Å; V75-L77 PolarHBondContact O-N 3.22Å; V75-G78 PolarHBondContact O-N 2.98Å; V75-T79 PolarHBondContact O-N 3.21Å; V75-T79 PolarHBondContact O-OG1 2.81Å
76D97.4Very high97.5Very high45 Ų4556.6 Ų56.624%0.24131%0.305CS..Hα-helixtrans-61.9-44178-63.5-26.4000111.3T72 H73 R74 G78 T79 L80T72-D76 VanDerWaalsContact O-CG 3.22Å; T72-D76 PolarHBondContact O-N 2.75Å; H73-D76 PolarHBondContact O-N 2.75Å; R74-D76 VanDerWaalsContact C-N 3.35Å; D76-G78 VanDerWaalsContact C-N 3.3Å; D76-G78 PolarHBondContact O-N 3.35Å; D76-T79 PolarHBondContact O-N 2.83Å; D76-T79 VanDerWaalsContact O-N 3.13Å; D76-L80 HydrophobicContact CB-CD1 4.46Å; D76-L80 WeakPolarHBondContact O-CB 3.44Å; D76-L80 VanDerWaalsContact O-CG 3.22Å; D76-L80 WeakPolarHBondContact O-CG 3.42Å; D76-L80 PolarHBondContact O-N 2.98Å
77L97.9Very high97.4Very high10 Ų1060.2 Ų60.25%0.05233%0.33CS..Hα-helixtrans-56.3-43.1175.1-80.5163.2000112.2P19 H73 V75 R81 H92 V94 Y117P19-L77 HydrophobicContact CB-CD1 3.57Å; P19-L77 HydrophobicContact CG-CD1 3.7Å; H73-L77 WeakPolarHBondContact O-CB 3.42Å; H73-L77 WeakPolarHBondContact O-CG 3.28Å; H73-L77 PolarHBondContact O-N 3.14Å; V75-L77 PolarHBondContact O-N 3.22Å; L77-R81 VanDerWaalsContact O-CB 3.3Å; L77-R81 WeakPolarHBondContact O-CB 3.43Å; L77-R81 PolarHBondContact O-N 3.47Å; L77-R81 VanDerWaalsContact O-N 3.13Å; L77-H92 HydrophobicContact CD2-CB 3.99Å; L77-V94 HydrophobicContact CD2-CB 4.38Å; L77-V94 HydrophobicContact CD2-CG2 3.67Å; L77-V94 HydrophobicContact CG-CB 4.47Å; L77-V94 HydrophobicContact CG-CG2 3.85Å; L77-Y117 HydrophobicContact CD2-CE2 4.34Å
78G96.3Very high97.1Very high35 Ų3562.6 Ų62.636%0.36134%0.343SS..Hα-helixtrans-66.6-40.6175.600000112.9R74 V75 D76 G82R74-G78 PolarHBondContact O-N 2.9Å; V75-G78 PolarHBondContact O-N 2.98Å; D76-G78 VanDerWaalsContact C-N 3.3Å; D76-G78 PolarHBondContact O-N 3.35Å; G78-G82 PolarHBondContact O-N 3.23Å
79T97.4Very high96.9Very high52 Ų5263.8 Ų63.832%0.31935%0.353SS..Hα-helixtrans-66.8-47.7179.5-590000111.7V75 D76 G82 Y83V75-T79 PolarHBondContact O-N 3.21Å; V75-T79 PolarHBondContact O-OG1 2.81Å; D76-T79 PolarHBondContact O-N 2.83Å; D76-T79 VanDerWaalsContact O-N 3.13Å; T79-G82 WeakPolarHBondContact O-CA 3.48Å; T79-G82 PolarHBondContact O-N 3.13Å; T79-G82 VanDerWaalsContact O-N 3.12Å; T79-Y83 HydrophobicContact CG2-CD1 4.4Å; T79-Y83 HydrophobicContact CG2-CD2 4.39Å; T79-Y83 HydrophobicContact CG2-CE1 3.82Å; T79-Y83 HydrophobicContact CG2-CE2 3.82Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.5Å; T79-Y83 PolarHBondContact O-N 2.93Å
80L97.9Very high96.8Very high9 Ų962.7 Ų62.75%0.04736%0.355CS..Hα-helixtrans-64.7-43.3-179.2-69.4167.3000111.1D76 G82 Y83 Y84 V94 Y117 Y122D76-L80 HydrophobicContact CB-CD1 4.46Å; D76-L80 WeakPolarHBondContact O-CB 3.44Å; D76-L80 VanDerWaalsContact O-CG 3.22Å; D76-L80 WeakPolarHBondContact O-CG 3.42Å; D76-L80 PolarHBondContact O-N 2.98Å; L80-G82 PolarHBondContact O-N 2.9Å; L80-Y83 HydrophobicContact CD2-CD2 4.3Å; L80-Y83 PolarHBondContact O-N 3.29Å; L80-Y83 VanDerWaalsContact O-N 3.08Å; L80-Y84 HydrophobicContact CD2-CE2 4.31Å; L80-Y84 VanDerWaalsContact O-CD2 3.23Å; L80-Y84 WeakPolarHBondContact O-CD2 3.41Å; L80-Y84 PolarHBondContact O-N 2.98Å; L80-V94 HydrophobicContact CD1-CG2 3.48Å; L80-V94 VanDerWaalsContact CD1-CG2 3.48Å; L80-Y117 HydrophobicContact CB-CD1 4.44Å; L80-Y117 HydrophobicContact CB-CD2 4.06Å; L80-Y117 HydrophobicContact CB-CE1 4.14Å; L80-Y117 HydrophobicContact CB-CE2 3.72Å; L80-Y117 HydrophobicContact CB-CG 4.4Å; L80-Y117 HydrophobicContact CD1-CD2 3.55Å; L80-Y117 HydrophobicContact CD1-CE2 3.94Å; L80-Y117 HydrophobicContact CD1-CG 4.05Å; L80-Y117 HydrophobicContact CG-CD2 4.36Å; L80-Y117 HydrophobicContact CG-CE2 4.46Å; L80-Y122 HydrophobicContact CD2-CD1 4.36Å; L80-Y122 HydrophobicContact CD2-CD2 4.15Å; L80-Y122 HydrophobicContact CD2-CE1 3.74Å; L80-Y122 HydrophobicContact CD2-CE2 3.49Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.49Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.23Å
81R97.1Very high96.8Very high74 Ų7465.5 Ų65.528%0.27937%0.374SS..Hα-helixtrans-52.8-42.2172-174.6-172.567.1-177.510.7111.8L77 N85 Q86 E88L77-R81 VanDerWaalsContact O-CB 3.3Å; L77-R81 WeakPolarHBondContact O-CB 3.43Å; L77-R81 PolarHBondContact O-N 3.47Å; L77-R81 VanDerWaalsContact O-N 3.13Å; R81-N85 PolarHBondContact O-N 3Å; R81-N85 VanDerWaalsContact O-N 3.14Å; R81-Q86 HydrophobicContact CG-CB 3.8Å; R81-Q86 WeakPolarHBondContact CG-O 3.3Å; R81-Q86 PolarHBondContact O-N 3.15Å; R81-E88 IonicContact CZ-OE1 2.81Å; R81-E88 IonicContact NH1-OE1 3.03Å; R81-E88 PolarHBondContact NH1-OE1 3.36Å; R81-E88 IonicContact NH2-OE1 3.38Å; R81-E88 PolarHBondContact NH2-OE1 2.88Å
82G97Very high96.8Very high44 Ų4461.3 Ų61.345%0.45435%0.354SS..Hα-helixtrans-64.5-47.6174.900000113.1G78 T79 L80 Y84 N85G78-G82 PolarHBondContact O-N 3.23Å; T79-G82 WeakPolarHBondContact O-CA 3.48Å; T79-G82 PolarHBondContact O-N 3.13Å; T79-G82 VanDerWaalsContact O-N 3.12Å; L80-G82 PolarHBondContact O-N 2.9Å; G82-Y84 PolarHBondContact O-N 3.48Å; G82-N85 PolarHBondContact O-N 3.04Å; G82-N85 VanDerWaalsContact O-N 3.13Å
83Y97.6Very high96.9Very high60 Ų6059.5 Ų59.524%0.23534%0.344CS..Hα-helixtrans-59.9-35.1178.5-67.9-11.1000113.3T79 L80 A138 T141 K145T79-Y83 HydrophobicContact CG2-CD1 4.4Å; T79-Y83 HydrophobicContact CG2-CD2 4.39Å; T79-Y83 HydrophobicContact CG2-CE1 3.82Å; T79-Y83 HydrophobicContact CG2-CE2 3.82Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.5Å; T79-Y83 PolarHBondContact O-N 2.93Å; L80-Y83 HydrophobicContact CD2-CD2 4.3Å; L80-Y83 PolarHBondContact O-N 3.29Å; L80-Y83 VanDerWaalsContact O-N 3.08Å; Y83-A138 HydrophobicContact CD2-CB 4.39Å; Y83-T141 HydrophobicContact CE1-CG2 4.05Å; Y83-T141 HydrophobicContact CE2-CG2 4.21Å; Y83-K145 PolarHBondContact OH-NZ 2.85Å
84Y97.8Very high96.9Very high68 Ų6859.6 Ų59.627%0.26734%0.344SS..THydrogen-bonded Turntrans-93.45.4179.6-68.9-71.7000113.9L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.31Å; L80-Y84 VanDerWaalsContact O-CD2 3.23Å; L80-Y84 WeakPolarHBondContact O-CD2 3.41Å; L80-Y84 PolarHBondContact O-N 2.98Å; G82-Y84 PolarHBondContact O-N 3.48Å; Y84-Q86 PolarHBondContact O-N 2.83Å; Y84-Y117 AromaticContact CD2-CD1 3.66Å; Y84-Y117 HydrophobicContact CD2-CD1 3.66Å; Y84-Y117 AromaticContact CD2-CE1 3.47Å; Y84-Y117 HydrophobicContact CD2-CE1 3.47Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.47Å; Y84-Y117 AromaticContact CE2-CD1 3.48Å; Y84-Y117 HydrophobicContact CE2-CD1 3.48Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.48Å; Y84-Y117 AromaticContact CE2-CE1 3.83Å; Y84-Y117 HydrophobicContact CE2-CE1 3.83Å; Y84-Y117 HydrophobicContact CE2-CG 4.41Å; Y84-Y117 HydrophobicContact CG-CE1 4.33Å; Y84-Y122 HydrophobicContact CE2-CD2 4.42Å; Y84-Y122 HydrophobicContact CE2-CE2 4.16Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.09Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.07Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.41Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 2.98Å; Y84-D136 PolarHBondContact OH-OD2 2.71Å; Y84-A138 HydrophobicContact CD1-CB 4.23Å; Y84-A138 HydrophobicContact CD2-CB 4.49Å; Y84-A138 HydrophobicContact CE1-CB 3.65Å; Y84-A138 HydrophobicContact CE2-CB 3.94Å; Y84-A138 VanDerWaalsContact CZ-CB 3.49Å
85N96.9Very high97Very high150 Ų15058.2 Ų58.280%0.80234%0.342SS*.THydrogen-bonded Turntrans50.940.3-177.4-58.5-56.6000113.2R81 G82R81-N85 PolarHBondContact O-N 3Å; R81-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-N 3.04Å; G82-N85 VanDerWaalsContact O-N 3.13Å
86Q97.4Very high97.1Very high58 Ų5854.9 Ų54.927%0.27132%0.32SS..  trans-88.5152.6-175.7-71.5169.3-32.700112R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.8Å; R81-Q86 WeakPolarHBondContact CG-O 3.3Å; R81-Q86 PolarHBondContact O-N 3.15Å; Y84-Q86 PolarHBondContact O-N 2.83Å; Q86-H92 PolarHBondContact NE2-CE1 3.12Å; Q86-H92 PolarHBondContact OE1-CE1 3.4Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.23Å; Q86-H92 PolarHBondContact OE1-ND1 3.21Å; Q86-Y117 VanDerWaalsContact OE1-CE1 3.31Å; Q86-Y117 PolarHBondContact OE1-OH 3.48Å; Q86-D118 PolarHBondContact NE2-OD2 3.16Å
87S95.6Very high97.1Very high81 Ų8153.9 Ų53.957%0.56631%0.314SS*.  trans-69.1148178.8174.90000112.6A89 G90S87-A89 PolarHBondContact O-N 3.23Å; S87-A89 PolarHBondContact OG-N 3.38Å; S87-G90 PolarHBondContact O-N 3.19Å
88E92.9Very high97.2Very high131 Ų13154.4 Ų54.461%0.61232%0.315SS*.THydrogen-bonded Turntrans-68.6-18.4174-53-155.4129.300113.8P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.41Å; P14-E88 WeakPolarHBondContact CG-O 3.5Å; R81-E88 IonicContact CZ-OE1 2.81Å; R81-E88 IonicContact NH1-OE1 3.03Å; R81-E88 PolarHBondContact NH1-OE1 3.36Å; R81-E88 IonicContact NH2-OE1 3.38Å; R81-E88 PolarHBondContact NH2-OE1 2.88Å; E88-G90 VanDerWaalsContact C-N 3.28Å
89A93.8Very high97.3Very high81 Ų8152.8 Ų52.867%0.66930%0.298SS*.THydrogen-bonded Turntrans-77.4-15178.500000113S87S87-A89 PolarHBondContact O-N 3.23Å; S87-A89 PolarHBondContact OG-N 3.38Å
90G94.4Very high97.3Very high25 Ų2550.3 Ų50.326%0.25828%0.283SS..SBendtrans-76.3136.1-178.700000113P14 S87 E88 H92P14-G90 VanDerWaalsContact CG-O 3.25Å; P14-G90 WeakPolarHBondContact CG-O 3.49Å; S87-G90 PolarHBondContact O-N 3.19Å; E88-G90 VanDerWaalsContact C-N 3.28Å; G90-H92 PolarHBondContact O-CD2 3.36Å; G90-H92 VanDerWaalsContact O-CD2 3.27Å
91S97.7Very high97.4Very high75 Ų7551.2 Ų51.252%0.52429%0.288SS..  trans-80.9130.6164179.60000108.8S12S12-S91 PolarHBondContact O-OG 3.32Å
92H98.4Very high97.4Very high18 Ų1847.7 Ų47.78%0.08327%0.274CS..  trans-130.7153.6-176.5-65.6-71.3000110.8V11 S12 L77 Q86 G90 Y117 D118V11-H92 WeakPolarHBondContact CA-O 3.37Å; S12-H92 PolarHBondContact N-O 3.43Å; S12-H92 PolarHBondContact OG-N 2.96Å; S12-H92 PolarHBondContact OG-O 2.8Å; L77-H92 HydrophobicContact CD2-CB 3.99Å; Q86-H92 PolarHBondContact NE2-CE1 3.12Å; Q86-H92 PolarHBondContact OE1-CE1 3.4Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.23Å; Q86-H92 PolarHBondContact OE1-ND1 3.21Å; G90-H92 PolarHBondContact O-CD2 3.36Å; G90-H92 VanDerWaalsContact O-CD2 3.27Å; H92-Y117 HydrophobicContact CB-CE2 3.92Å; H92-Y117 WeakPolarHBondContact CB-OH 3.47Å; H92-Y117 VanDerWaalsContact CG-OH 3.23Å; H92-Y117 AromaticContact ND1-CZ 3.94Å; H92-Y117 PolarHBondContact ND1-OH 3.31Å; H92-D118 WeakPolarHBondContact CA-OD1 3.16Å; H92-D118 IonicContact CE1-OD2 3.63Å; H92-D118 IonicContact CG-OD1 3.66Å; H92-D118 IonicContact CG-OD2 3.42Å; H92-D118 IonicContact ND1-OD1 2.7Å; H92-D118 IonicContact ND1-OD2 3.01Å; H92-D118 PolarHBondContact ND1-OD2 3.27Å
93T98.7Very high97.4Very high33 Ų3345.9 Ų45.920%0.20226%0.256CS..EExtended strand (participates in β ladder)trans-124.4130-175.9-52.30000111.1T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 4Å; S10-T93 CarbonylContact O-C 3.55Å; S10-T93 VanDerWaalsContact O-CA 3.3Å; S10-T93 WeakPolarHBondContact O-CA 3.4Å; V11-T93 HydrophobicContact CG2-CG2 4.2Å; T93-Q95 HydrophobicContact CG2-CG 3.94Å; T93-Y117 CarbonylContact O-C 3.45Å; T93-Y117 WeakPolarHBondContact O-CA 3.17Å; T93-Y117 VanDerWaalsContact O-CD2 3.25Å; T93-Y117 WeakPolarHBondContact O-CD2 3.42Å; T93-D118 PolarHBondContact N-OD1 2.87Å; T93-D118 PolarHBondContact O-N 2.74Å
94V98.7Very high97.1Very high2 Ų248.1 Ų48.11%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-111.5126.1165.8171.70000108.2S10 L77 L80 Y115 Y117S10-V94 PolarHBondContact N-O 2.98Å; S10-V94 PolarHBondContact O-N 2.83Å; L77-V94 HydrophobicContact CD2-CB 4.38Å; L77-V94 HydrophobicContact CD2-CG2 3.67Å; L77-V94 HydrophobicContact CG-CB 4.47Å; L77-V94 HydrophobicContact CG-CG2 3.85Å; L80-V94 HydrophobicContact CD1-CG2 3.48Å; L80-V94 VanDerWaalsContact CD1-CG2 3.48Å; V94-Y115 HydrophobicContact CG1-CD1 4.11Å; V94-Y117 HydrophobicContact CG2-CD2 3.76Å; V94-Y117 HydrophobicContact CG2-CE2 4.15Å
95Q98.8Very high96.8Very high78 Ų7848.9 Ų48.936%0.36429%0.289SS..EExtended strand (participates in β ladder)trans-116.3144.2173.4-64172.2-83.900109.6F8 T9 T93 Y115 A116F8-Q95 CarbonylContact O-C 3.58Å; F8-Q95 VanDerWaalsContact O-CA 3.28Å; F8-Q95 WeakPolarHBondContact O-CA 3.43Å; T9-Q95 HydrophobicContact CG2-CG 4.19Å; T93-Q95 HydrophobicContact CG2-CG 3.94Å; Q95-Y115 CarbonylContact O-C 3.58Å; Q95-Y115 WeakPolarHBondContact O-CA 3.3Å; Q95-A116 HydrophobicContact CB-CB 4.32Å; Q95-A116 PolarHBondContact N-O 2.81Å; Q95-A116 PolarHBondContact O-N 2.9Å
96R98.6Very high96.5Very high24 Ų2446 Ų469%0.09127%0.267CS..EExtended strand (participates in β ladder)trans-132.8135.9173-173-170179.2-172.3-11.1109.4F7 F8 H69 Y98 H113 Q114 Y115F7-R96 WeakPolarHBondContact CA-O 3.44Å; F8-R96 HydrophobicContact CB-CB 4.23Å; F8-R96 PolarHBondContact N-O 3.23Å; F8-R96 PolarHBondContact O-N 2.9Å; H69-R96 PolarHBondContact CD2-NH1 3.19Å; H69-R96 PolarHBondContact NE2-NH1 3.13Å; R96-Y98 HydrophobicContact CG-CD1 4.31Å; R96-H113 VanDerWaalsContact CZ-NE2 3.27Å; R96-H113 PolarHBondContact NE-NE2 2.85Å; R96-H113 VanDerWaalsContact NE-NE2 3.14Å; R96-H113 PolarHBondContact NH2-CD2 3.32Å; R96-H113 VanDerWaalsContact NH2-CD2 3.34Å; R96-H113 PolarHBondContact NH2-NE2 2.9Å; R96-Q114 WeakPolarHBondContact CA-O 3.42Å; R96-Y115 HydrophobicContact CB-CD1 3.71Å; R96-Y115 HydrophobicContact CB-CE1 3.6Å; R96-Y115 HydrophobicContact CB-CG 4.43Å; R96-Y115 VanDerWaalsContact CD-CZ 3.4Å; R96-Y115 VanDerWaalsContact CD-OH 3.26Å; R96-Y115 WeakPolarHBondContact CD-OH 3.37Å; R96-Y115 HydrophobicContact CG-CD1 3.89Å; R96-Y115 HydrophobicContact CG-CD2 4.38Å; R96-Y115 HydrophobicContact CG-CE1 3.53Å; R96-Y115 HydrophobicContact CG-CE2 4.08Å; R96-Y115 HydrophobicContact CG-CG 4.3Å; R96-Y115 PolarHBondContact NE-OH 3.16Å
97M98.7Very high96.4Very high24 Ų2451.6 Ų51.612%0.11829%0.286CS..EExtended strand (participates in β ladder)trans-125.7131.4167.6-173.9-79.2-7200109Y6 F7 Y112 H113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.42Å; F7-M97 HydrophobicContact CD1-CB 4.08Å; F7-M97 HydrophobicContact CD1-CG 3.64Å; F7-M97 HydrophobicContact CE1-CB 4.27Å; F7-M97 HydrophobicContact CE1-CG 3.42Å; F7-M97 VanDerWaalsContact CE1-CG 3.42Å; F7-M97 HydrophobicContact CZ-CG 4.14Å; M97-Y112 HydrophobicContact CE-CD1 4.15Å; M97-Y112 HydrophobicContact CE-CG 4.11Å; M97-Y112 HydrophobicContact SD-CG 4.48Å; M97-H113 WeakPolarHBondContact O-CA 3.35Å; M97-Q114 HydrophobicContact CB-CG 4.17Å; M97-Q114 HydrophobicContact CE-CG 4.02Å; M97-Q114 PolarHBondContact N-O 2.97Å; M97-Q114 PolarHBondContact O-N 2.86Å
98Y98.8Very high96.5Very high21 Ų2150.6 Ų50.68%0.08227%0.271CS..EExtended strand (participates in β ladder)trans-147.3159171.470.2-85.4000111.2R5 Y6 F8 R96 Y112 Y158R5-Y98 WeakPolarHBondContact CA-O 3.21Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.49Å; Y6-Y98 HydrophobicContact CD2-CD2 4.47Å; Y6-Y98 AromaticContact CD2-CE2 3.66Å; Y6-Y98 HydrophobicContact CD2-CE2 3.66Å; Y6-Y98 AromaticContact CD2-CZ 3.75Å; Y6-Y98 HydrophobicContact CE2-CE2 4.47Å; Y6-Y98 HydrophobicContact CG-CE1 4.29Å; Y6-Y98 HydrophobicContact CG-CE2 4.13Å; Y6-Y98 AromaticContact CG-CZ 3.74Å; Y6-Y98 PolarHBondContact N-O 3.49Å; Y6-Y98 PolarHBondContact O-N 2.89Å; Y6-Y98 VanDerWaalsContact O-N 3.16Å; F8-Y98 HydrophobicContact CD2-CE1 4.26Å; F8-Y98 HydrophobicContact CE1-CE1 4.18Å; F8-Y98 AromaticContact CE2-CE1 3.57Å; F8-Y98 HydrophobicContact CE2-CE1 3.57Å; F8-Y98 AromaticContact CZ-CE1 3.53Å; F8-Y98 HydrophobicContact CZ-CE1 3.53Å; F8-Y98 AromaticContact CZ-CZ 3.89Å; F8-Y98 VanDerWaalsContact CZ-OH 3.31Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.31Å; R96-Y98 HydrophobicContact CG-CD1 4.31Å; Y98-Y112 WeakPolarHBondContact CA-O 3.17Å; Y98-Y112 VanDerWaalsContact CB-O 3.23Å; Y98-Y112 WeakPolarHBondContact CB-O 3.24Å; Y98-Y158 AromaticContact CD2-CE1 3.83Å; Y98-Y158 HydrophobicContact CD2-CE1 3.83Å; Y98-Y158 AromaticContact CE2-CE1 3.77Å; Y98-Y158 HydrophobicContact CE2-CE1 3.77Å; Y98-Y158 AromaticContact CE2-CZ 3.96Å
99G98.7Very high96.7Very high0 Ų049.3 Ų49.30%027%0.268CS..EExtended strand (participates in β ladder)trans156.9-173.6-179.100000113.4M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.56Å; M4-G99 WeakPolarHBondContact O-CA 3.31Å; G99-G111 CarbonylContact O-C 3.6Å; G99-G111 WeakPolarHBondContact O-CA 3.44Å; G99-Y112 PolarHBondContact N-O 2.94Å; G99-Y112 PolarHBondContact O-N 2.89Å; G99-L159 WeakPolarHBondContact O-CD2 3.37Å
100C98.8Very high96.9Very high0 Ų049.8 Ų49.80%025%0.253CS..EExtended strand (participates in β ladder)trans-135150.5-173.353.50000111.3S3 M4 F108 R110 C163 V164S3-C100 WeakPolarHBondContact CA-O 3.31Å; M4-C100 PolarHBondContact N-O 2.9Å; M4-C100 PolarHBondContact O-N 3.49Å; C100-F108 HydrophobicContact CB-CD2 4.4Å; C100-F108 HydrophobicContact CB-CE2 4.17Å; C100-R110 CarbonylContact C-O 3.5Å; C100-R110 WeakPolarHBondContact CA-O 3.43Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.41Å; C100-C163 PolarHBondContact N-SG 2.81Å; C100-C163 WeakPolarHBondContact SG-CB 3.37Å; C100-C163 CovalentContact SG-SG 2.05Å; C100-C163 PolarHBondContact SG-SG 2.9Å; C100-V164 HydrophobicContact CB-CG2 4.38Å
101D98.6Very high97.1Very high28 Ų2848.8 Ų48.815%0.1524%0.242CC..EExtended strand (participates in β ladder)trans-112.3140.6171.4-59.9-13.5000109.2H2 S3 R5 L109 R110 Y112H2-D101 WeakPolarHBondContact O-CA 3.48Å; S3-D101 WeakPolarHBondContact CB-OD1 3.27Å; R5-D101 IonicContact CZ-OD1 2.75Å; R5-D101 IonicContact NE-OD1 2.71Å; R5-D101 PolarHBondContact NE-OD1 3.21Å; R5-D101 IonicContact NH2-OD1 3.67Å; R5-D101 PolarHBondContact NH2-OD1 3.23Å; R5-D101 IonicContact NH2-OD2 3.53Å; R5-D101 PolarHBondContact NH2-OD2 3.17Å; D101-L109 HydrophobicContact CB-CB 4.43Å; D101-L109 PolarHBondContact O-N 3.41Å; D101-R110 HydrophobicContact CB-CB 4.48Å; D101-R110 PolarHBondContact N-O 2.81Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.48Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.3Å; D101-Y112 PolarHBondContact OD2-OH 2.83Å
102V98.1Very high97.1Very high0 Ų047.1 Ų47.10%023%0.225CC..EExtended strand (participates in β ladder)trans-124.2145175.8-61.10000111.7S1 H2 W106 R107 V164 L167S1-V102 WeakPolarHBondContact CA-O 3.35Å; S1-V102 VanDerWaalsContact CB-O 3.27Å; S1-V102 WeakPolarHBondContact CB-O 3.32Å; H2-V102 HydrophobicContact CB-CG2 4.02Å; H2-V102 PolarHBondContact N-O 3.15Å; H2-V102 PolarHBondContact O-N 2.86Å; V102-W106 HydrophobicContact CG2-CE3 4.19Å; V102-W106 HydrophobicContact CG2-CZ3 4.48Å; V102-R107 CarbonylContact C-O 3.59Å; V102-R107 WeakPolarHBondContact CA-O 3.39Å; V102-V164 HydrophobicContact CG1-CB 4.42Å; V102-V164 HydrophobicContact CG1-CG1 3.93Å; V102-V164 HydrophobicContact CG1-CG2 3.99Å; V102-L167 HydrophobicContact CB-CD2 4.44Å; V102-L167 HydrophobicContact CG1-CD2 4Å; V102-L167 HydrophobicContact CG2-CD2 3.68Å; V102-L167 HydrophobicContact CG2-CG 4.34Å
103G95.9Very high97.1Very high7 Ų746.8 Ų46.87%0.07222%0.223CC..  trans-70.6174175.500000112.4D105 W106 R107G103-D105 PolarHBondContact O-N 2.88Å; G103-W106 WeakPolarHBondContact O-CA 3.45Å; G103-W106 PolarHBondContact O-N 2.91Å; G103-R107 PolarHBondContact N-O 3.04Å
104S91.3Very high97.1Very high107 Ų10748.4 Ų48.475%0.74823%0.229SC*.THydrogen-bonded Turntrans-63.1-21.2171.348.50000112.9
105D91.9Very high97.1Very high83 Ų8350.4 Ų50.444%0.44424%0.236SC..THydrogen-bonded Turntrans-87.510.3172.671-17.6000113.2G103 R107G103-D105 PolarHBondContact O-N 2.88Å; D105-R107 PolarHBondContact O-N 3.07Å; D105-R107 WeakPolarHBondContact OD1-CB 3.42Å; D105-R107 PolarHBondContact OD1-N 3.18Å; D105-R107 VanDerWaalsContact OD1-N 3.1Å; D105-R107 WeakPolarHBondContact OD2-CD 3.22Å; D105-R107 VanDerWaalsContact OD2-CG 3.31Å; D105-R107 WeakPolarHBondContact OD2-CG 3.44Å; D105-R107 IonicContact OD2-NE 3.7Å
106W89.9Confident97.1Very high91 Ų9147.4 Ų47.435%0.34523%0.225SC..SBendtrans66.25.8-178.5-51.8108000115.4H2 V102 G103 R168 L171H2-W106 AromaticContact CD2-CH2 3.81Å; H2-W106 AromaticContact CD2-CZ3 3.61Å; V102-W106 HydrophobicContact CG2-CE3 4.19Å; V102-W106 HydrophobicContact CG2-CZ3 4.48Å; G103-W106 WeakPolarHBondContact O-CA 3.45Å; G103-W106 PolarHBondContact O-N 2.91Å; W106-R168 HydrophobicContact CB-CG 4.49Å; W106-R168 HydrophobicContact CE3-CG 4.43Å; W106-R168 VanDerWaalsContact O-CZ 3.32Å; W106-R168 PolarHBondContact O-NE 2.69Å; W106-R168 VanDerWaalsContact O-NE 3.12Å; W106-R168 PolarHBondContact O-NH2 2.8Å; W106-L171 HydrophobicContact CE3-CD1 4.23Å; W106-L171 HydrophobicContact CH2-CB 4.37Å; W106-L171 HydrophobicContact CH2-CD1 3.92Å; W106-L171 HydrophobicContact CZ3-CB 4.4Å; W106-L171 HydrophobicContact CZ3-CD1 3.29Å; W106-L171 HydrophobicContact CZ3-CG 4.44Å
107R95.6Very high97.1Very high174 Ų17446.8 Ų46.866%0.65722%0.223SC*.  trans-80.6148.2-179.1-64.2-172-176.5173.2-2111.3V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.59Å; V102-R107 WeakPolarHBondContact CA-O 3.39Å; G103-R107 PolarHBondContact N-O 3.04Å; D105-R107 PolarHBondContact O-N 3.07Å; D105-R107 WeakPolarHBondContact OD1-CB 3.42Å; D105-R107 PolarHBondContact OD1-N 3.18Å; D105-R107 VanDerWaalsContact OD1-N 3.1Å; D105-R107 WeakPolarHBondContact OD2-CD 3.22Å; D105-R107 VanDerWaalsContact OD2-CG 3.31Å; D105-R107 WeakPolarHBondContact OD2-CG 3.44Å; D105-R107 IonicContact OD2-NE 3.7Å; R107-L109 PolarHBondContact O-N 3.03Å
108F98.1Very high97.1Very high60 Ų6048.6 Ų48.626%0.26323%0.233SC..EExtended strand (participates in β ladder)trans-55.6127.5173.1178.7-97.2000110.2C100 R110 L129 L159 E160 V164C100-F108 HydrophobicContact CB-CD2 4.4Å; C100-F108 HydrophobicContact CB-CE2 4.17Å; F108-R110 VanDerWaalsContact CE2-C 3.47Å; F108-R110 WeakPolarHBondContact CE2-O 3.34Å; F108-L129 HydrophobicContact CE1-CD1 3.93Å; F108-L129 HydrophobicContact CZ-CD1 3.64Å; F108-L159 HydrophobicContact CE2-CB 4.4Å; F108-L159 WeakPolarHBondContact CE2-O 3.14Å; F108-E160 HydrophobicContact CD1-CG 4.28Å; F108-E160 HydrophobicContact CE1-CG 4.18Å; F108-E160 HydrophobicContact CE2-CG 4.47Å; F108-E160 HydrophobicContact CG-CG 4.47Å; F108-E160 HydrophobicContact CZ-CG 4.27Å; F108-V164 HydrophobicContact CB-CG2 4.13Å; F108-V164 HydrophobicContact CD2-CG2 3.75Å; F108-V164 HydrophobicContact CG-CG2 4.44Å
109L97.6Very high97.1Very high105 Ų10550.3 Ų50.355%0.5526%0.257SS..EExtended strand (participates in β ladder)trans-105.7-50.4173.9-66.9-179.8000111.1D101 R107D101-L109 HydrophobicContact CB-CB 4.43Å; D101-L109 PolarHBondContact O-N 3.41Å; R107-L109 PolarHBondContact O-N 3.03Å
110R97.7Very high97.1Very high91 Ų9157.9 Ų57.934%0.34329%0.29SS..EExtended strand (participates in β ladder)trans-155.7150-171.9-172.5164.1170.7147.6-5.1111.4C100 D101 F108 Y112 E127C100-R110 CarbonylContact C-O 3.5Å; C100-R110 WeakPolarHBondContact CA-O 3.43Å; D101-R110 HydrophobicContact CB-CB 4.48Å; D101-R110 PolarHBondContact N-O 2.81Å; F108-R110 VanDerWaalsContact CE2-C 3.47Å; F108-R110 WeakPolarHBondContact CE2-O 3.34Å; R110-Y112 HydrophobicContact CB-CE2 4.24Å; R110-Y112 VanDerWaalsContact CD-OH 3.3Å; R110-Y112 WeakPolarHBondContact CD-OH 3.21Å; R110-Y112 HydrophobicContact CG-CE1 4.23Å; R110-Y112 HydrophobicContact CG-CE2 3.9Å; R110-E127 WeakPolarHBondContact CD-OE1 3.25Å; R110-E127 IonicContact CZ-OE1 2.81Å; R110-E127 IonicContact CZ-OE2 3.66Å; R110-E127 IonicContact NE-OE1 3.95Å; R110-E127 IonicContact NH1-OE1 3.86Å; R110-E127 PolarHBondContact NH1-OE1 2.68Å; R110-E127 IonicContact NH1-OE2 3.53Å; R110-E127 PolarHBondContact NH1-OE2 3.16Å
111G98.3Very high97.1Very high4 Ų463.8 Ų63.84%0.04132%0.322CS..EExtended strand (participates in β ladder)trans-125.2151.5176.400000110.7G99G99-G111 CarbonylContact O-C 3.6Å; G99-G111 WeakPolarHBondContact O-CA 3.44Å
112Y98.6Very high97.1Very high40 Ų4063 Ų6316%0.15732%0.316CS..EExtended strand (participates in β ladder)trans-131.7141-177.4-54.2-95.7000109.5R5 M97 Y98 G99 D101 R110R5-Y112 VanDerWaalsContact NH2-CZ 3.33Å; R5-Y112 PolarHBondContact NH2-OH 2.93Å; M97-Y112 HydrophobicContact CE-CD1 4.15Å; M97-Y112 HydrophobicContact CE-CG 4.11Å; M97-Y112 HydrophobicContact SD-CG 4.48Å; Y98-Y112 WeakPolarHBondContact CA-O 3.17Å; Y98-Y112 VanDerWaalsContact CB-O 3.23Å; Y98-Y112 WeakPolarHBondContact CB-O 3.24Å; G99-Y112 PolarHBondContact N-O 2.94Å; G99-Y112 PolarHBondContact O-N 2.89Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.48Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.3Å; D101-Y112 PolarHBondContact OD2-OH 2.83Å; R110-Y112 HydrophobicContact CB-CE2 4.24Å; R110-Y112 VanDerWaalsContact CD-OH 3.3Å; R110-Y112 WeakPolarHBondContact CD-OH 3.21Å; R110-Y112 HydrophobicContact CG-CE1 4.23Å; R110-Y112 HydrophobicContact CG-CE2 3.9Å
113H98.6Very high97.1Very high10 Ų1063.2 Ų63.25%0.04632%0.317CS..EExtended strand (participates in β ladder)trans-158.8102.3168.1-175.7-85.8000109.4R96 M97 Y115 L125 W132 L155R96-H113 VanDerWaalsContact CZ-NE2 3.27Å; R96-H113 PolarHBondContact NE-NE2 2.85Å; R96-H113 VanDerWaalsContact NE-NE2 3.14Å; R96-H113 PolarHBondContact NH2-CD2 3.32Å; R96-H113 VanDerWaalsContact NH2-CD2 3.34Å; R96-H113 PolarHBondContact NH2-NE2 2.9Å; M97-H113 WeakPolarHBondContact O-CA 3.35Å; H113-Y115 AromaticContact CE1-CE2 3.42Å; H113-Y115 VanDerWaalsContact CE1-CE2 3.42Å; H113-Y115 WeakPolarHBondContact CE1-CE2 3.25Å; H113-L125 HydrophobicContact CB-CB 3.97Å; H113-L125 HydrophobicContact CB-CD2 4.15Å; H113-L125 WeakPolarHBondContact O-CB 3.3Å; H113-L125 PolarHBondContact O-N 2.87Å; H113-W132 AromaticContact ND1-CH2 3.73Å; H113-W132 AromaticContact ND1-CZ3 3.77Å; H113-L155 HydrophobicContact CB-CD1 4.27Å
114Q98.6Very high97.2Very high68 Ų6864.2 Ų64.232%0.31833%0.325SS..EExtended strand (participates in β ladder)trans-141149.5-17363.4-165.663.100112R96 M97 I123 A124R96-Q114 WeakPolarHBondContact CA-O 3.42Å; M97-Q114 HydrophobicContact CB-CG 4.17Å; M97-Q114 HydrophobicContact CE-CG 4.02Å; M97-Q114 PolarHBondContact N-O 2.97Å; M97-Q114 PolarHBondContact O-N 2.86Å; Q114-I123 CarbonylContact C-O 3.57Å; Q114-I123 WeakPolarHBondContact CA-O 3.47Å; Q114-A124 HydrophobicContact CB-CB 3.8Å
115Y98.7Very high97.6Very high43 Ų4359.8 Ų59.817%0.16929%0.293CS..EExtended strand (participates in β ladder)trans-121.1148.3175.1-69.6-96.7000111H73 V94 Q95 R96 H113 Y122 I123H73-Y115 AromaticContact NE2-CE1 3.88Å; V94-Y115 HydrophobicContact CG1-CD1 4.11Å; Q95-Y115 CarbonylContact O-C 3.58Å; Q95-Y115 WeakPolarHBondContact O-CA 3.3Å; R96-Y115 HydrophobicContact CB-CD1 3.71Å; R96-Y115 HydrophobicContact CB-CE1 3.6Å; R96-Y115 HydrophobicContact CB-CG 4.43Å; R96-Y115 VanDerWaalsContact CD-CZ 3.4Å; R96-Y115 VanDerWaalsContact CD-OH 3.26Å; R96-Y115 WeakPolarHBondContact CD-OH 3.37Å; R96-Y115 HydrophobicContact CG-CD1 3.89Å; R96-Y115 HydrophobicContact CG-CD2 4.38Å; R96-Y115 HydrophobicContact CG-CE1 3.53Å; R96-Y115 HydrophobicContact CG-CE2 4.08Å; R96-Y115 HydrophobicContact CG-CG 4.3Å; R96-Y115 PolarHBondContact NE-OH 3.16Å; H113-Y115 AromaticContact CE1-CE2 3.42Å; H113-Y115 VanDerWaalsContact CE1-CE2 3.42Å; H113-Y115 WeakPolarHBondContact CE1-CE2 3.25Å; Y115-Y122 WeakPolarHBondContact O-CB 3.47Å; Y115-Y122 PolarHBondContact O-N 2.77Å; Y115-I123 HydrophobicContact CD2-CG2 4.05Å; Y115-I123 PolarHBondContact N-O 2.87Å; Y115-I123 PolarHBondContact O-N 3.16Å
116A98.8Very high97.9Very high16 Ų1660.2 Ų60.213%0.13229%0.291CS..EExtended strand (participates in β ladder)trans-124.6148.2166.800000110.1Q95 K120Q95-A116 HydrophobicContact CB-CB 4.32Å; Q95-A116 PolarHBondContact N-O 2.81Å; Q95-A116 PolarHBondContact O-N 2.9Å; A116-K120 CarbonylContact C-O 3.55Å; A116-K120 WeakPolarHBondContact CA-O 3.44Å; A116-K120 WeakPolarHBondContact CB-O 3.44Å
117Y98.8Very high98.3Very high10 Ų1061.7 Ų61.74%0.03930%0.302CS..EExtended strand (participates in β ladder)trans-124.9127.1175-174.8-118.3000109.7L77 L80 Y84 Q86 H92 T93 V94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.34Å; L80-Y117 HydrophobicContact CB-CD1 4.44Å; L80-Y117 HydrophobicContact CB-CD2 4.06Å; L80-Y117 HydrophobicContact CB-CE1 4.14Å; L80-Y117 HydrophobicContact CB-CE2 3.72Å; L80-Y117 HydrophobicContact CB-CG 4.4Å; L80-Y117 HydrophobicContact CD1-CD2 3.55Å; L80-Y117 HydrophobicContact CD1-CE2 3.94Å; L80-Y117 HydrophobicContact CD1-CG 4.05Å; L80-Y117 HydrophobicContact CG-CD2 4.36Å; L80-Y117 HydrophobicContact CG-CE2 4.46Å; Y84-Y117 AromaticContact CD2-CD1 3.66Å; Y84-Y117 HydrophobicContact CD2-CD1 3.66Å; Y84-Y117 AromaticContact CD2-CE1 3.47Å; Y84-Y117 HydrophobicContact CD2-CE1 3.47Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.47Å; Y84-Y117 AromaticContact CE2-CD1 3.48Å; Y84-Y117 HydrophobicContact CE2-CD1 3.48Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.48Å; Y84-Y117 AromaticContact CE2-CE1 3.83Å; Y84-Y117 HydrophobicContact CE2-CE1 3.83Å; Y84-Y117 HydrophobicContact CE2-CG 4.41Å; Y84-Y117 HydrophobicContact CG-CE1 4.33Å; Q86-Y117 VanDerWaalsContact OE1-CE1 3.31Å; Q86-Y117 PolarHBondContact OE1-OH 3.48Å; H92-Y117 HydrophobicContact CB-CE2 3.92Å; H92-Y117 WeakPolarHBondContact CB-OH 3.47Å; H92-Y117 VanDerWaalsContact CG-OH 3.23Å; H92-Y117 AromaticContact ND1-CZ 3.94Å; H92-Y117 PolarHBondContact ND1-OH 3.31Å; T93-Y117 CarbonylContact O-C 3.45Å; T93-Y117 WeakPolarHBondContact O-CA 3.17Å; T93-Y117 VanDerWaalsContact O-CD2 3.25Å; T93-Y117 WeakPolarHBondContact O-CD2 3.42Å; V94-Y117 HydrophobicContact CG2-CD2 3.76Å; V94-Y117 HydrophobicContact CG2-CE2 4.15Å; Y117-G119 PolarHBondContact O-N 2.95Å; Y117-K120 PolarHBondContact N-O 2.88Å; Y117-K120 PolarHBondContact O-N 2.91Å
118D98.3Very high98.4Very high62 Ų6257 Ų5733%0.33229%0.29SS..THydrogen-bonded Turntrans49.140.5-175.2-66.7-21.9000113.3Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 3.16Å; H92-D118 WeakPolarHBondContact CA-OD1 3.16Å; H92-D118 IonicContact CE1-OD2 3.63Å; H92-D118 IonicContact CG-OD1 3.66Å; H92-D118 IonicContact CG-OD2 3.42Å; H92-D118 IonicContact ND1-OD1 2.7Å; H92-D118 IonicContact ND1-OD2 3.01Å; H92-D118 PolarHBondContact ND1-OD2 3.27Å; T93-D118 PolarHBondContact N-OD1 2.87Å; T93-D118 PolarHBondContact O-N 2.74Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 2.9Å
119G97.7Very high98.4Very high57 Ų5754.3 Ų54.359%0.58828%0.278SS*.THydrogen-bonded Turntrans77.75.6177.800000115.3Y117Y117-G119 PolarHBondContact O-N 2.95Å
120K98.5Very high98.4Very high160 Ų16057.6 Ų57.670%0.69628%0.283SS*.EExtended strand (participates in β ladder)trans-111.8144.4176.3-63.1-179.4-1781780110.8A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.55Å; A116-K120 WeakPolarHBondContact CA-O 3.44Å; A116-K120 WeakPolarHBondContact CB-O 3.44Å; Y117-K120 PolarHBondContact N-O 2.88Å; Y117-K120 PolarHBondContact O-N 2.91Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 2.9Å; K120-Y122 PolarHBondContact O-N 3.03Å
121D98.7Very high98.4Very high124 Ų12454.6 Ų54.666%0.66328%0.277SS*.EExtended strand (participates in β ladder)trans-52.1134.7173.1-73-19.7000110.5A135D121-A135 HydrophobicContact CB-CB 4.45Å; D121-A135 WeakPolarHBondContact O-CB 3.26Å
122Y98.8Very high98.4Very high10 Ų1054.6 Ų54.64%0.03928%0.275CS..EExtended strand (participates in β ladder)trans-113.1-64.1179.3179.4-111.9000110.3L80 Y84 Y115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.36Å; L80-Y122 HydrophobicContact CD2-CD2 4.15Å; L80-Y122 HydrophobicContact CD2-CE1 3.74Å; L80-Y122 HydrophobicContact CD2-CE2 3.49Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.49Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.23Å; Y84-Y122 HydrophobicContact CE2-CD2 4.42Å; Y84-Y122 HydrophobicContact CE2-CE2 4.16Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.09Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.07Å; Y115-Y122 WeakPolarHBondContact O-CB 3.47Å; Y115-Y122 PolarHBondContact O-N 2.77Å; K120-Y122 PolarHBondContact O-N 3.03Å; Y122-A135 WeakPolarHBondContact O-CB 3.39Å; Y122-A135 PolarHBondContact O-N 2.78Å; Y122-A138 HydrophobicContact CE2-CB 4.44Å; Y122-A138 PolarHBondContact OH-O 3.48Å; Y122-A139 HydrophobicContact CD2-CB 3.79Å; Y122-A139 VanDerWaalsContact CE2-CA 3.48Å; Y122-A139 HydrophobicContact CE2-CB 3.61Å; Y122-A139 HydrophobicContact CG-CB 4.31Å; Y122-A139 WeakPolarHBondContact O-CB 3.48Å; Y122-T142 HydrophobicContact CE1-CG2 4.14Å; Y122-T142 WeakPolarHBondContact OH-CB 3.28Å; Y122-T142 PolarHBondContact OH-OG1 2.87Å
123I98.8Very high98.4Very high5 Ų556.2 Ų56.23%0.02629%0.29CS..EExtended strand (participates in β ladder)trans-149.2140179.4-162.5172.1000110.9Q114 Y115 W132 T133 A134 T142 K143 L146Q114-I123 CarbonylContact C-O 3.57Å; Q114-I123 WeakPolarHBondContact CA-O 3.47Å; Y115-I123 HydrophobicContact CD2-CG2 4.05Å; Y115-I123 PolarHBondContact N-O 2.87Å; Y115-I123 PolarHBondContact O-N 3.16Å; I123-W132 HydrophobicContact CD1-CB 4.37Å; I123-W132 HydrophobicContact CD1-CD2 4.46Å; I123-W132 HydrophobicContact CD1-CE3 4.15Å; I123-W132 HydrophobicContact CG1-CB 4.4Å; I123-W132 HydrophobicContact CG1-CE3 4Å; I123-T133 CarbonylContact C-O 3.58Å; I123-T133 WeakPolarHBondContact CA-O 3.43Å; I123-T133 WeakPolarHBondContact CG1-O 3.46Å; I123-A134 HydrophobicContact CG1-CB 4.5Å; I123-T142 HydrophobicContact CD1-CG2 4.11Å; I123-K143 HydrophobicContact CD1-CB 3.81Å; I123-L146 HydrophobicContact CD1-CD1 3.81Å
124A98.8Very high98.4Very high29 Ų2956.6 Ų56.624%0.2429%0.294CS..EExtended strand (participates in β ladder)trans-135.5136.7179.900000111.6Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.8Å; A124-W132 WeakPolarHBondContact O-CA 3.44Å; A124-T133 PolarHBondContact N-O 3.49Å; A124-T133 PolarHBondContact O-N 3.4Å
125L98.8Very high98.4Very high14 Ų1456.3 Ų56.37%0.07330%0.303CS..EExtended strand (participates in β ladder)trans-68.6128.7166.6-174.467.4000108.2H113 L129 W132 A152 L155 L159H113-L125 HydrophobicContact CB-CB 3.97Å; H113-L125 HydrophobicContact CB-CD2 4.15Å; H113-L125 WeakPolarHBondContact O-CB 3.3Å; H113-L125 PolarHBondContact O-N 2.87Å; L125-L129 HydrophobicContact CD2-CB 4.4Å; L125-L129 HydrophobicContact CD2-CD2 3.85Å; L125-L129 HydrophobicContact CG-CD2 4.41Å; L125-W132 HydrophobicContact CB-CE3 4.1Å; L125-W132 HydrophobicContact CB-CH2 4.28Å; L125-W132 HydrophobicContact CB-CZ3 3.87Å; L125-W132 HydrophobicContact CD1-CD2 4.2Å; L125-W132 HydrophobicContact CD1-CE3 4.39Å; L125-W132 HydrophobicContact CD1-CH2 4.25Å; L125-W132 HydrophobicContact CD1-CZ2 4.01Å; L125-W132 HydrophobicContact CD1-CZ3 4.42Å; L125-A152 HydrophobicContact CD1-CB 3.92Å; L125-L155 HydrophobicContact CD2-CB 4.24Å; L125-L155 HydrophobicContact CD2-CD1 4.45Å; L125-L159 HydrophobicContact CD2-CD1 3.99Å
126K98.5Very high98.3Very high91 Ų9157.1 Ų57.140%0.39631%0.311SS..  trans-72165.3177.8-63-163.6-156.6164.70110.9D128 L129 S131 T133K126-D128 PolarHBondContact O-N 3.43Å; K126-D128 VanDerWaalsContact O-N 3.13Å; K126-L129 PolarHBondContact O-N 3.22Å; K126-S131 WeakPolarHBondContact CB-O 2.93Å; K126-S131 VanDerWaalsContact CD-OG 3.24Å; K126-S131 WeakPolarHBondContact CD-OG 3.36Å; K126-S131 WeakPolarHBondContact CG-O 3.37Å; K126-S131 PolarHBondContact N-O 3.27Å; K126-T133 VanDerWaalsContact CE-OG1 3.24Å; K126-T133 WeakPolarHBondContact CE-OG1 3.43Å; K126-T133 WeakPolarHBondContact CG-OG1 3.32Å
127E97.6Very high98.3Very high122 Ų12263.6 Ų63.657%0.5734%0.34SS*.THydrogen-bonded Turntrans-60.4-21.8179.1-174.4162.6-151.400113.6R110 L129R110-E127 WeakPolarHBondContact CD-OE1 3.25Å; R110-E127 IonicContact CZ-OE1 2.81Å; R110-E127 IonicContact CZ-OE2 3.66Å; R110-E127 IonicContact NE-OE1 3.95Å; R110-E127 IonicContact NH1-OE1 3.86Å; R110-E127 PolarHBondContact NH1-OE1 2.68Å; R110-E127 IonicContact NH1-OE2 3.53Å; R110-E127 PolarHBondContact NH1-OE2 3.16Å; E127-L129 PolarHBondContact O-N 3.46Å
128D97.6Very high98.2Very high77 Ų7763.7 Ų63.741%0.41234%0.343SS..THydrogen-bonded Turntrans-69.5-9.9172.267.412.9000114.2K126 R130 S131K126-D128 PolarHBondContact O-N 3.43Å; K126-D128 VanDerWaalsContact O-N 3.13Å; D128-R130 WeakPolarHBondContact O-CG 3.41Å; D128-R130 PolarHBondContact O-N 2.87Å; D128-R130 VanDerWaalsContact O-N 3.16Å; D128-R130 PolarHBondContact OD1-N 3.35Å; D128-S131 PolarHBondContact OD1-N 3.49Å; D128-S131 PolarHBondContact OD1-OG 2.93Å; D128-S131 WeakPolarHBondContact OD2-CB 3.37Å; D128-S131 PolarHBondContact OD2-OG 3.35Å
129L98.1Very high98.2Very high3 Ų360.7 Ų60.72%0.01633%0.327CS..SBendtrans54.225.1-175.3-50.7179.1000114.4F108 L125 K126 E127 R156 L159 E160F108-L129 HydrophobicContact CE1-CD1 3.93Å; F108-L129 HydrophobicContact CZ-CD1 3.64Å; L125-L129 HydrophobicContact CD2-CB 4.4Å; L125-L129 HydrophobicContact CD2-CD2 3.85Å; L125-L129 HydrophobicContact CG-CD2 4.41Å; K126-L129 PolarHBondContact O-N 3.22Å; E127-L129 PolarHBondContact O-N 3.46Å; L129-R156 HydrophobicContact CB-CB 4.07Å; L129-R156 HydrophobicContact CB-CG 3.92Å; L129-R156 HydrophobicContact CD1-CG 4.04Å; L129-L159 HydrophobicContact CD2-CD1 4Å; L129-E160 HydrophobicContact CD1-CG 4.06Å
130R97.5Very high98.2Very high173 Ų17360.8 Ų60.865%0.65331%0.312SS*.SBendtrans-130.9-32.4-175-70.4173.5-173.3-140.55.1112.3D128 A152 R156D128-R130 WeakPolarHBondContact O-CG 3.41Å; D128-R130 PolarHBondContact O-N 2.87Å; D128-R130 VanDerWaalsContact O-N 3.16Å; D128-R130 PolarHBondContact OD1-N 3.35Å; R130-A152 WeakPolarHBondContact O-CB 3.43Å; R130-R156 VanDerWaalsContact NH2-NH1 3.15Å
131S97.7Very high98.1Very high29 Ų2956 Ų5620%0.20330%0.296CS..  trans-119.3162.5-175.373.50000112.3K126 D128K126-S131 WeakPolarHBondContact CB-O 2.93Å; K126-S131 VanDerWaalsContact CD-OG 3.24Å; K126-S131 WeakPolarHBondContact CD-OG 3.36Å; K126-S131 WeakPolarHBondContact CG-O 3.37Å; K126-S131 PolarHBondContact N-O 3.27Å; D128-S131 PolarHBondContact OD1-N 3.49Å; D128-S131 PolarHBondContact OD1-OG 2.93Å; D128-S131 WeakPolarHBondContact OD2-CB 3.37Å; D128-S131 PolarHBondContact OD2-OG 3.35Å
132W98.7Very high98.1Very high3 Ų351.5 Ų51.51%0.01127%0.273CS..EExtended strand (participates in β ladder)trans-118.2142.4-174.5-59.590.3000111.8H113 I123 A124 L125 K143 L146 V151 A152 L155H113-W132 AromaticContact ND1-CH2 3.73Å; H113-W132 AromaticContact ND1-CZ3 3.77Å; I123-W132 HydrophobicContact CD1-CB 4.37Å; I123-W132 HydrophobicContact CD1-CD2 4.46Å; I123-W132 HydrophobicContact CD1-CE3 4.15Å; I123-W132 HydrophobicContact CG1-CB 4.4Å; I123-W132 HydrophobicContact CG1-CE3 4Å; A124-W132 WeakPolarHBondContact O-CA 3.44Å; L125-W132 HydrophobicContact CB-CE3 4.1Å; L125-W132 HydrophobicContact CB-CH2 4.28Å; L125-W132 HydrophobicContact CB-CZ3 3.87Å; L125-W132 HydrophobicContact CD1-CD2 4.2Å; L125-W132 HydrophobicContact CD1-CE3 4.39Å; L125-W132 HydrophobicContact CD1-CH2 4.25Å; L125-W132 HydrophobicContact CD1-CZ2 4.01Å; L125-W132 HydrophobicContact CD1-CZ3 4.42Å; W132-K143 HydrophobicContact CB-CD 4.09Å; W132-K143 HydrophobicContact CB-CG 3.99Å; W132-K143 PolarHBondContact O-NZ 3.49Å; W132-L146 HydrophobicContact CD2-CD1 4Å; W132-L146 HydrophobicContact CE3-CD1 4.02Å; W132-L146 HydrophobicContact CH2-CD1 3.73Å; W132-L146 HydrophobicContact CZ2-CB 4.2Å; W132-L146 HydrophobicContact CZ2-CD1 3.73Å; W132-L146 HydrophobicContact CZ2-CG 4.49Å; W132-L146 HydrophobicContact CZ3-CD1 3.88Å; W132-V151 HydrophobicContact CZ2-CB 4.44Å; W132-V151 HydrophobicContact CZ2-CG1 4.33Å; W132-A152 HydrophobicContact CZ2-CB 4.33Å; W132-L155 HydrophobicContact CH2-CD1 3.42Å; W132-L155 VanDerWaalsContact CH2-CD1 3.42Å; W132-L155 HydrophobicContact CZ2-CD1 3.85Å
133T98.6Very high98.1Very high75 Ų7553 Ų5346%0.4628%0.28SS..EExtended strand (participates in β ladder)trans-101.3122.4164-59.80000108.2I123 A124 K126I123-T133 CarbonylContact C-O 3.58Å; I123-T133 WeakPolarHBondContact CA-O 3.43Å; I123-T133 WeakPolarHBondContact CG1-O 3.46Å; A124-T133 PolarHBondContact N-O 3.49Å; A124-T133 PolarHBondContact O-N 3.4Å; K126-T133 VanDerWaalsContact CE-OG1 3.24Å; K126-T133 WeakPolarHBondContact CE-OG1 3.43Å; K126-T133 WeakPolarHBondContact CG-OG1 3.32Å
134A98.6Very high98.1Very high17 Ų1758.1 Ų58.114%0.1430%0.303CS..EExtended strand (participates in β ladder)trans-108.5134.3175.400000109I123 A139 Q140 K143I123-A134 HydrophobicContact CG1-CB 4.5Å; A134-A139 HydrophobicContact CB-CB 3.67Å; A134-Q140 HydrophobicContact CB-CG 4.32Å; A134-K143 HydrophobicContact CB-CB 4.3Å; A134-K143 HydrophobicContact CB-CD 4.24Å
135A98.4Very high98Very high62 Ų6262.4 Ų62.451%0.51232%0.317SS..SBendtrans-76.4-30.7-172.500000113.6D121 Y122D121-A135 HydrophobicContact CB-CB 4.45Å; D121-A135 WeakPolarHBondContact O-CB 3.26Å; Y122-A135 WeakPolarHBondContact O-CB 3.39Å; Y122-A135 PolarHBondContact O-N 2.78Å
136D98.1Very high98Very high60 Ų6063.3 Ų63.332%0.32132%0.322SS..SBendtrans-152-175.3-178.764.429.1000112.2Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.41Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 2.98Å; Y84-D136 PolarHBondContact OH-OD2 2.71Å; D136-A138 VanDerWaalsContact C-N 3.32Å; D136-A138 PolarHBondContact O-N 3.18Å; D136-A138 WeakPolarHBondContact OD1-CA 3.35Å; D136-A138 WeakPolarHBondContact OD1-CB 3.39Å; D136-A138 PolarHBondContact OD1-N 3.46Å; D136-A139 WeakPolarHBondContact O-CB 3.34Å; D136-A139 PolarHBondContact O-N 2.77Å; D136-A139 PolarHBondContact OD1-N 3.14Å; D136-Q140 WeakPolarHBondContact O-CG 3.2Å; D136-Q140 PolarHBondContact O-N 3.35Å
137M97Very high98Very high152 Ų15262.7 Ų62.775%0.74932%0.32SS*.Hα-helixtrans-64.7-30.8-179.8-67-55.2-59.500113.8Q140 T141M137-Q140 PolarHBondContact O-N 2.82Å; M137-Q140 HydrophobicContact SD-CG 4.39Å; M137-T141 PolarHBondContact O-N 3.41Å; M137-T141 PolarHBondContact O-OG1 2.95Å
138A96.9Very high98Very high12 Ų1260.8 Ų60.810%0.09933%0.325CS..Hα-helixtrans-69-40.8174.600000110.3Y83 Y84 Y122 D136 T141Y83-A138 HydrophobicContact CD2-CB 4.39Å; Y84-A138 HydrophobicContact CD1-CB 4.23Å; Y84-A138 HydrophobicContact CD2-CB 4.49Å; Y84-A138 HydrophobicContact CE1-CB 3.65Å; Y84-A138 HydrophobicContact CE2-CB 3.94Å; Y84-A138 VanDerWaalsContact CZ-CB 3.49Å; Y122-A138 HydrophobicContact CE2-CB 4.44Å; Y122-A138 PolarHBondContact OH-O 3.48Å; D136-A138 VanDerWaalsContact C-N 3.32Å; D136-A138 PolarHBondContact O-N 3.18Å; D136-A138 WeakPolarHBondContact OD1-CA 3.35Å; D136-A138 WeakPolarHBondContact OD1-CB 3.39Å; D136-A138 PolarHBondContact OD1-N 3.46Å; A138-T141 WeakPolarHBondContact O-CB 3.17Å; A138-T141 PolarHBondContact O-N 2.91Å
139A98.3Very high98Very high0 Ų059.9 Ų59.90%033%0.328CS..Hα-helixtrans-66.6-32.7173.900000113.2Y122 A134 D136 T141 T142 K143Y122-A139 HydrophobicContact CD2-CB 3.79Å; Y122-A139 VanDerWaalsContact CE2-CA 3.48Å; Y122-A139 HydrophobicContact CE2-CB 3.61Å; Y122-A139 HydrophobicContact CG-CB 4.31Å; Y122-A139 WeakPolarHBondContact O-CB 3.48Å; A134-A139 HydrophobicContact CB-CB 3.67Å; D136-A139 WeakPolarHBondContact O-CB 3.34Å; D136-A139 PolarHBondContact O-N 2.77Å; D136-A139 PolarHBondContact OD1-N 3.14Å; A139-T141 PolarHBondContact O-N 3.32Å; A139-T142 PolarHBondContact O-N 3.44Å; A139-T142 VanDerWaalsContact O-N 3.13Å; A139-K143 PolarHBondContact O-N 3.43Å
140Q98.4Very high98Very high58 Ų5865 Ų6527%0.27135%0.352SS..Hα-helixtrans-58.6-37.8172.6-67.5-63.4-21.800111.7A134 D136 M137 T142 K143 H144A134-Q140 HydrophobicContact CB-CG 4.32Å; D136-Q140 WeakPolarHBondContact O-CG 3.2Å; D136-Q140 PolarHBondContact O-N 3.35Å; M137-Q140 PolarHBondContact O-N 2.82Å; M137-Q140 HydrophobicContact SD-CG 4.39Å; Q140-T142 VanDerWaalsContact C-N 3.31Å; Q140-T142 PolarHBondContact O-N 3.43Å; Q140-K143 WeakPolarHBondContact O-CB 3.31Å; Q140-K143 PolarHBondContact O-N 3.13Å; Q140-H144 PolarHBondContact O-CD2 3.34Å; Q140-H144 VanDerWaalsContact O-CD2 3.25Å; Q140-H144 PolarHBondContact O-N 3.37Å
141T97.6Very high98Very high60 Ų6058.3 Ų58.337%0.36833%0.33SS..Hα-helixtrans-59-44175.5-55.70000111.5Y83 M137 A138 A139 K145Y83-T141 HydrophobicContact CE1-CG2 4.05Å; Y83-T141 HydrophobicContact CE2-CG2 4.21Å; M137-T141 PolarHBondContact O-N 3.41Å; M137-T141 PolarHBondContact O-OG1 2.95Å; A138-T141 WeakPolarHBondContact O-CB 3.17Å; A138-T141 PolarHBondContact O-N 2.91Å; A139-T141 PolarHBondContact O-N 3.32Å; T141-K145 PolarHBondContact O-N 3.49Å
142T98Very high98.1Very high29 Ų2957.2 Ų57.218%0.17832%0.323CS..Hα-helixtrans-68.2-42.7175.3-67.80000111.6Y122 I123 A139 Q140 H144 K145 L146Y122-T142 HydrophobicContact CE1-CG2 4.14Å; Y122-T142 WeakPolarHBondContact OH-CB 3.28Å; Y122-T142 PolarHBondContact OH-OG1 2.87Å; I123-T142 HydrophobicContact CD1-CG2 4.11Å; A139-T142 PolarHBondContact O-N 3.44Å; A139-T142 VanDerWaalsContact O-N 3.13Å; Q140-T142 VanDerWaalsContact C-N 3.31Å; Q140-T142 PolarHBondContact O-N 3.43Å; T142-H144 VanDerWaalsContact C-N 3.33Å; T142-H144 PolarHBondContact O-N 3.24Å; T142-K145 WeakPolarHBondContact O-CB 3.49Å; T142-K145 PolarHBondContact O-N 2.93Å; T142-L146 HydrophobicContact CG2-CD1 3.99Å; T142-L146 HydrophobicContact CG2-CG 4.1Å; T142-L146 WeakPolarHBondContact O-CG 3.44Å; T142-L146 PolarHBondContact O-N 2.72Å
143K98.6Very high98Very high41 Ų4163.2 Ų63.218%0.17835%0.351CS..Hα-helixtrans-52.6-49.2176.3173.6174.7170.7-176.30111.9I123 W132 A134 A139 Q140 K145 L146 E147I123-K143 HydrophobicContact CD1-CB 3.81Å; W132-K143 HydrophobicContact CB-CD 4.09Å; W132-K143 HydrophobicContact CB-CG 3.99Å; W132-K143 PolarHBondContact O-NZ 3.49Å; A134-K143 HydrophobicContact CB-CB 4.3Å; A134-K143 HydrophobicContact CB-CD 4.24Å; A139-K143 PolarHBondContact O-N 3.43Å; Q140-K143 WeakPolarHBondContact O-CB 3.31Å; Q140-K143 PolarHBondContact O-N 3.13Å; K143-K145 VanDerWaalsContact C-N 3.3Å; K143-K145 PolarHBondContact O-N 2.92Å; K143-L146 PolarHBondContact O-N 2.6Å; K143-L146 VanDerWaalsContact O-N 3.14Å; K143-E147 WeakPolarHBondContact CE-OE1 3.38Å; K143-E147 HydrophobicContact CG-CG 4.3Å; K143-E147 IonicContact NZ-OE1 3.79Å; K143-E147 WeakPolarHBondContact O-CG 3.22Å; K143-E147 PolarHBondContact O-N 3.18Å
144H98.3Very high98Very high113 Ų11366.1 Ų66.152%0.52336%0.36SS..Hα-helixtrans-60.2-38.3178.3-70.3-44.3000113Q140 T142 E147 A148Q140-H144 PolarHBondContact O-CD2 3.34Å; Q140-H144 VanDerWaalsContact O-CD2 3.25Å; Q140-H144 PolarHBondContact O-N 3.37Å; T142-H144 VanDerWaalsContact C-N 3.33Å; T142-H144 PolarHBondContact O-N 3.24Å; H144-E147 IonicContact ND1-OE2 3.27Å; H144-A148 VanDerWaalsContact O-CB 3.3Å; H144-A148 WeakPolarHBondContact O-CB 3.27Å; H144-A148 PolarHBondContact O-N 3.23Å
145K97.8Very high97.9Very high119 Ų11966.4 Ų66.452%0.51736%0.358SS..Hα-helixtrans-64.4-43.9174.8-69176.4175.3-177.10111.8Y83 T141 T142 K143 A149Y83-K145 PolarHBondContact OH-NZ 2.85Å; T141-K145 PolarHBondContact O-N 3.49Å; T142-K145 WeakPolarHBondContact O-CB 3.49Å; T142-K145 PolarHBondContact O-N 2.93Å; K143-K145 VanDerWaalsContact C-N 3.3Å; K143-K145 PolarHBondContact O-N 2.92Å; K145-A149 WeakPolarHBondContact O-CB 3.39Å; K145-A149 PolarHBondContact O-N 2.9Å; K145-A149 VanDerWaalsContact O-N 3.07Å
146L98Very high97.9Very high34 Ų3467.1 Ų67.118%0.17835%0.348CS..Hα-helixtrans-67.1-38.6179.6-63.1-179.2000112.1I123 W132 T142 K143 A149 H150 V151I123-L146 HydrophobicContact CD1-CD1 3.81Å; W132-L146 HydrophobicContact CD2-CD1 4Å; W132-L146 HydrophobicContact CE3-CD1 4.02Å; W132-L146 HydrophobicContact CH2-CD1 3.73Å; W132-L146 HydrophobicContact CZ2-CB 4.2Å; W132-L146 HydrophobicContact CZ2-CD1 3.73Å; W132-L146 HydrophobicContact CZ2-CG 4.49Å; W132-L146 HydrophobicContact CZ3-CD1 3.88Å; T142-L146 HydrophobicContact CG2-CD1 3.99Å; T142-L146 HydrophobicContact CG2-CG 4.1Å; T142-L146 WeakPolarHBondContact O-CG 3.44Å; T142-L146 PolarHBondContact O-N 2.72Å; K143-L146 PolarHBondContact O-N 2.6Å; K143-L146 VanDerWaalsContact O-N 3.14Å; L146-A149 CarbonylContact O-C 3.5Å; L146-H150 PolarHBondContact O-N 2.9Å; L146-H150 VanDerWaalsContact O-N 3.11Å; L146-V151 HydrophobicContact CB-CB 4.26Å; L146-V151 HydrophobicContact CB-CG2 4.38Å; L146-V151 HydrophobicContact CD2-CB 4Å; L146-V151 HydrophobicContact CD2-CG1 4.09Å; L146-V151 HydrophobicContact CD2-CG2 3.76Å; L146-V151 PolarHBondContact O-N 3.37Å
147E98.3Very high98Very high78 Ų7867.3 Ų67.336%0.36436%0.358SS..Hα-helixtrans-66.4-48.3175.9-73.1174161.300111.2K143 H144 A149 H150K143-E147 WeakPolarHBondContact CE-OE1 3.38Å; K143-E147 HydrophobicContact CG-CG 4.3Å; K143-E147 IonicContact NZ-OE1 3.79Å; K143-E147 WeakPolarHBondContact O-CG 3.22Å; K143-E147 PolarHBondContact O-N 3.18Å; H144-E147 IonicContact ND1-OE2 3.27Å; E147-A149 PolarHBondContact O-N 3.33Å; E147-H150 PolarHBondContact O-N 2.91Å
148A98.2Very high98Very high82 Ų8263.1 Ų63.168%0.67833%0.334SS*.Hα-helixtrans-61.7-30.4177.700000113H144H144-A148 VanDerWaalsContact O-CB 3.3Å; H144-A148 WeakPolarHBondContact O-CB 3.27Å; H144-A148 PolarHBondContact O-N 3.23Å
149A97.9Very high98.1Very high57 Ų5762.6 Ų62.647%0.47133%0.33SS..THydrogen-bonded Turntrans-93.76177.500000113.9K145 L146 E147 V151K145-A149 WeakPolarHBondContact O-CB 3.39Å; K145-A149 PolarHBondContact O-N 2.9Å; K145-A149 VanDerWaalsContact O-N 3.07Å; L146-A149 CarbonylContact O-C 3.5Å; E147-A149 PolarHBondContact O-N 3.33Å; A149-V151 HydrophobicContact CB-CG2 3.9Å; A149-V151 PolarHBondContact O-N 3.24Å; A149-V151 VanDerWaalsContact O-N 3.14Å
150H97.3Very high98.1Very high112 Ų11266.3 Ų66.352%0.51935%0.347SS..THydrogen-bonded Turntrans52.633.6179.8-64.9-92.7000114.3L146 E147 A152 E153L146-H150 PolarHBondContact O-N 2.9Å; L146-H150 VanDerWaalsContact O-N 3.11Å; E147-H150 PolarHBondContact O-N 2.91Å; H150-A152 PolarHBondContact O-N 3.13Å; H150-E153 IonicContact CG-OE1 3.03Å; H150-E153 IonicContact ND1-OE1 3.01Å; H150-E153 PolarHBondContact ND1-OE1 2.92Å; H150-E153 PolarHBondContact O-N 3.02Å; H150-E153 VanDerWaalsContact O-N 3.14Å
151V98.3Very high98.1Very high31 Ų3164.6 Ų64.619%0.18835%0.345CS..Hα-helixtrans-63.1-30.7-172.9177.90000112.3W132 L146 A149 E153 Q154 L155W132-V151 HydrophobicContact CZ2-CB 4.44Å; W132-V151 HydrophobicContact CZ2-CG1 4.33Å; L146-V151 HydrophobicContact CB-CB 4.26Å; L146-V151 HydrophobicContact CB-CG2 4.38Å; L146-V151 HydrophobicContact CD2-CB 4Å; L146-V151 HydrophobicContact CD2-CG1 4.09Å; L146-V151 HydrophobicContact CD2-CG2 3.76Å; L146-V151 PolarHBondContact O-N 3.37Å; A149-V151 HydrophobicContact CB-CG2 3.9Å; A149-V151 PolarHBondContact O-N 3.24Å; A149-V151 VanDerWaalsContact O-N 3.14Å; V151-E153 VanDerWaalsContact C-N 3.26Å; V151-E153 PolarHBondContact O-N 3.1Å; V151-Q154 PolarHBondContact O-N 3.25Å; V151-L155 HydrophobicContact CG1-CD1 3.95Å; V151-L155 HydrophobicContact CG1-CG 4.15Å; V151-L155 WeakPolarHBondContact O-CG 3.37Å; V151-L155 PolarHBondContact O-N 3.43Å; V151-L155 VanDerWaalsContact O-N 3.09Å
152A98.4Very high98.1Very high7 Ų764.5 Ų64.56%0.05834%0.344CS..Hα-helixtrans-58.9-36.217800000112.6L125 R130 W132 H150 L155 R156L125-A152 HydrophobicContact CD1-CB 3.92Å; R130-A152 WeakPolarHBondContact O-CB 3.43Å; W132-A152 HydrophobicContact CZ2-CB 4.33Å; H150-A152 PolarHBondContact O-N 3.13Å; A152-L155 PolarHBondContact O-N 2.87Å; A152-R156 VanDerWaalsContact O-CB 3.27Å; A152-R156 WeakPolarHBondContact O-CB 3.19Å; A152-R156 PolarHBondContact O-N 2.84Å
153E97.8Very high98.2Very high128 Ų12863.1 Ų63.160%0.59834%0.336SS*.Hα-helixtrans-66.7-40.8180-64173.9-153.800111.7H150 V151 R156 A157H150-E153 IonicContact CG-OE1 3.03Å; H150-E153 IonicContact ND1-OE1 3.01Å; H150-E153 PolarHBondContact ND1-OE1 2.92Å; H150-E153 PolarHBondContact O-N 3.02Å; H150-E153 VanDerWaalsContact O-N 3.14Å; V151-E153 VanDerWaalsContact C-N 3.26Å; V151-E153 PolarHBondContact O-N 3.1Å; E153-R156 PolarHBondContact O-N 3.15Å; E153-A157 PolarHBondContact O-N 2.88Å
154Q97.3Very high98.2Very high137 Ų13761.5 Ų61.564%0.6433%0.329SS*.Hα-helixtrans-65.4-43.8176.2-61.2179.91.500111.4V151 A157 Y158V151-Q154 PolarHBondContact O-N 3.25Å; Q154-A157 PolarHBondContact O-N 3.34Å; Q154-Y158 PolarHBondContact O-N 2.97Å; Q154-Y158 VanDerWaalsContact O-N 3.13Å
155L98.2Very high98.2Very high22 Ų2262 Ų6212%0.11533%0.332CS..Hα-helixtrans-65.4-41.5177.7-68.1175.2000111.4H113 L125 W132 V151 A152 A157 Y158 L159H113-L155 HydrophobicContact CB-CD1 4.27Å; L125-L155 HydrophobicContact CD2-CB 4.24Å; L125-L155 HydrophobicContact CD2-CD1 4.45Å; W132-L155 HydrophobicContact CH2-CD1 3.42Å; W132-L155 VanDerWaalsContact CH2-CD1 3.42Å; W132-L155 HydrophobicContact CZ2-CD1 3.85Å; V151-L155 HydrophobicContact CG1-CD1 3.95Å; V151-L155 HydrophobicContact CG1-CG 4.15Å; V151-L155 WeakPolarHBondContact O-CG 3.37Å; V151-L155 PolarHBondContact O-N 3.43Å; V151-L155 VanDerWaalsContact O-N 3.09Å; A152-L155 PolarHBondContact O-N 2.87Å; L155-A157 PolarHBondContact O-N 2.96Å; L155-Y158 PolarHBondContact O-N 3.27Å; L155-L159 WeakPolarHBondContact O-CB 3.26Å; L155-L159 WeakPolarHBondContact O-CG 3.49Å; L155-L159 PolarHBondContact O-N 2.99Å
156R98.5Very high98.2Very high78 Ų7859.9 Ų59.929%0.29432%0.321SS..Hα-helixtrans-58.7-46.8175.2-177.6173.8-179.2-139.3-14.7111.6L129 R130 A152 E153 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.07Å; L129-R156 HydrophobicContact CB-CG 3.92Å; L129-R156 HydrophobicContact CD1-CG 4.04Å; R130-R156 VanDerWaalsContact NH2-NH1 3.15Å; A152-R156 VanDerWaalsContact O-CB 3.27Å; A152-R156 WeakPolarHBondContact O-CB 3.19Å; A152-R156 PolarHBondContact O-N 2.84Å; E153-R156 PolarHBondContact O-N 3.15Å; R156-Y158 VanDerWaalsContact C-N 3.3Å; R156-Y158 PolarHBondContact O-N 3.2Å; R156-L159 PolarHBondContact O-N 3.49Å; R156-E160 HydrophobicContact CG-CG 4.15Å; R156-E160 IonicContact CZ-OE1 3.86Å; R156-E160 IonicContact CZ-OE2 2.82Å; R156-E160 VanDerWaalsContact NE-CD 3.33Å; R156-E160 IonicContact NE-OE1 3.3Å; R156-E160 PolarHBondContact NE-OE1 2.64Å; R156-E160 IonicContact NE-OE2 3.18Å; R156-E160 PolarHBondContact NE-OE2 3.41Å; R156-E160 IonicContact NH2-OE1 3.6Å; R156-E160 PolarHBondContact NH2-OE1 3.23Å; R156-E160 IonicContact NH2-OE2 3.07Å; R156-E160 PolarHBondContact NH2-OE2 3.35Å; R156-E160 WeakPolarHBondContact O-CB 3.34Å; R156-E160 PolarHBondContact O-N 3.45Å
157A98.4Very high98.2Very high64 Ų6458.2 Ų58.253%0.52931%0.312SS..Hα-helixtrans-59.1-41.2177.300000112.3E153 Q154 L155 G161E153-A157 PolarHBondContact O-N 2.88Å; Q154-A157 PolarHBondContact O-N 3.34Å; L155-A157 PolarHBondContact O-N 2.96Å; A157-G161 PolarHBondContact O-N 3.21Å; A157-G161 VanDerWaalsContact O-N 3.12Å
158Y98.4Very high98.2Very high64 Ų6459.9 Ų59.925%0.25132%0.315SS..Iπ-helixtrans-65.5-46.8174.2170.9-96.5000112.5Y98 Q154 L155 R156 T162 C163Y98-Y158 AromaticContact CD2-CE1 3.83Å; Y98-Y158 HydrophobicContact CD2-CE1 3.83Å; Y98-Y158 AromaticContact CE2-CE1 3.77Å; Y98-Y158 HydrophobicContact CE2-CE1 3.77Å; Y98-Y158 AromaticContact CE2-CZ 3.96Å; Q154-Y158 PolarHBondContact O-N 2.97Å; Q154-Y158 VanDerWaalsContact O-N 3.13Å; L155-Y158 PolarHBondContact O-N 3.27Å; R156-Y158 VanDerWaalsContact C-N 3.3Å; R156-Y158 PolarHBondContact O-N 3.2Å; Y158-T162 HydrophobicContact CD2-CG2 3.95Å; Y158-T162 HydrophobicContact CE2-CG2 3.81Å; Y158-T162 PolarHBondContact O-N 3.22Å; Y158-C163 HydrophobicContact CD1-CB 4.37Å; Y158-C163 HydrophobicContact CE1-CB 3.92Å; Y158-C163 WeakPolarHBondContact O-CB 3.3Å; Y158-C163 PolarHBondContact O-N 3.1Å
159L98.7Very high98.2Very high1 Ų161.4 Ų61.41%0.00530%0.303CS..Iπ-helixtrans-69.6-41.6-173.9-70.9171000112.6G99 F108 L125 L129 L155 R156G99-L159 WeakPolarHBondContact O-CD2 3.37Å; F108-L159 HydrophobicContact CE2-CB 4.4Å; F108-L159 WeakPolarHBondContact CE2-O 3.14Å; L125-L159 HydrophobicContact CD2-CD1 3.99Å; L129-L159 HydrophobicContact CD2-CD1 4Å; L155-L159 WeakPolarHBondContact O-CB 3.26Å; L155-L159 WeakPolarHBondContact O-CG 3.49Å; L155-L159 PolarHBondContact O-N 2.99Å; R156-L159 PolarHBondContact O-N 3.49Å
160E98.4Very high98.2Very high77 Ų7758.8 Ų58.836%0.3628%0.281SS..Iπ-helixtrans-79.4-25.7178.8-67.7-179.816800112.5F108 L129 R156F108-E160 HydrophobicContact CD1-CG 4.28Å; F108-E160 HydrophobicContact CE1-CG 4.18Å; F108-E160 HydrophobicContact CE2-CG 4.47Å; F108-E160 HydrophobicContact CG-CG 4.47Å; F108-E160 HydrophobicContact CZ-CG 4.27Å; L129-E160 HydrophobicContact CD1-CG 4.06Å; R156-E160 HydrophobicContact CG-CG 4.15Å; R156-E160 IonicContact CZ-OE1 3.86Å; R156-E160 IonicContact CZ-OE2 2.82Å; R156-E160 VanDerWaalsContact NE-CD 3.33Å; R156-E160 IonicContact NE-OE1 3.3Å; R156-E160 PolarHBondContact NE-OE1 2.64Å; R156-E160 IonicContact NE-OE2 3.18Å; R156-E160 PolarHBondContact NE-OE2 3.41Å; R156-E160 IonicContact NH2-OE1 3.6Å; R156-E160 PolarHBondContact NH2-OE1 3.23Å; R156-E160 IonicContact NH2-OE2 3.07Å; R156-E160 PolarHBondContact NH2-OE2 3.35Å; R156-E160 WeakPolarHBondContact O-CB 3.34Å; R156-E160 PolarHBondContact O-N 3.45Å
161G98.2Very high98.1Very high22 Ų2253.5 Ų53.523%0.22726%0.257CS..Iπ-helixtrans-106.3-93.3-178.200000112.7A157 C163 V164 E165A157-G161 PolarHBondContact O-N 3.21Å; A157-G161 VanDerWaalsContact O-N 3.12Å; G161-C163 VanDerWaalsContact C-N 3.29Å; G161-C163 PolarHBondContact O-N 2.99Å; G161-C163 VanDerWaalsContact O-N 3.15Å; G161-V164 PolarHBondContact O-N 2.75Å; G161-E165 WeakPolarHBondContact O-CG 3.26Å; G161-E165 PolarHBondContact O-N 3Å
162T98.2Very high98.1Very high58 Ų5858 Ų5836%0.35628%0.276SS..Iπ-helixtrans-51.1-43.2-171.2-56.30000113.4Y158 V164 E165 W166Y158-T162 HydrophobicContact CD2-CG2 3.95Å; Y158-T162 HydrophobicContact CE2-CG2 3.81Å; Y158-T162 PolarHBondContact O-N 3.22Å; T162-V164 PolarHBondContact O-N 3.42Å; T162-E165 PolarHBondContact O-N 3.04Å; T162-W166 VanDerWaalsContact CG2-CD1 3.49Å; T162-W166 WeakPolarHBondContact O-CB 3.38Å; T162-W166 PolarHBondContact O-N 3.44Å
163C98.6Very high98Very high0 Ų059.9 Ų59.90%029%0.285CS..Hα-helixtrans-60.3-48179.3-174.10000111.6M4 C100 Y158 G161 L167M4-C163 HydrophobicContact CE-CB 4.14Å; M4-C163 WeakPolarHBondContact CE-O 3Å; M4-C163 WeakPolarHBondContact CE-SG 3.36Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.41Å; C100-C163 PolarHBondContact N-SG 2.81Å; C100-C163 WeakPolarHBondContact SG-CB 3.37Å; C100-C163 CovalentContact SG-SG 2.05Å; C100-C163 PolarHBondContact SG-SG 2.9Å; Y158-C163 HydrophobicContact CD1-CB 4.37Å; Y158-C163 HydrophobicContact CE1-CB 3.92Å; Y158-C163 WeakPolarHBondContact O-CB 3.3Å; Y158-C163 PolarHBondContact O-N 3.1Å; G161-C163 VanDerWaalsContact C-N 3.29Å; G161-C163 PolarHBondContact O-N 2.99Å; G161-C163 VanDerWaalsContact O-N 3.15Å; C163-L167 VanDerWaalsContact O-CB 3.32Å; C163-L167 WeakPolarHBondContact O-CB 3.5Å; C163-L167 PolarHBondContact O-N 2.77Å
164V98.5Very high98Very high7 Ų754 Ų544%0.04226%0.258CS..Hα-helixtrans-66.8-41.6179.8173.40000111.2C100 V102 F108 G161 T162 L167 R168C100-V164 HydrophobicContact CB-CG2 4.38Å; V102-V164 HydrophobicContact CG1-CB 4.42Å; V102-V164 HydrophobicContact CG1-CG1 3.93Å; V102-V164 HydrophobicContact CG1-CG2 3.99Å; F108-V164 HydrophobicContact CB-CG2 4.13Å; F108-V164 HydrophobicContact CD2-CG2 3.75Å; F108-V164 HydrophobicContact CG-CG2 4.44Å; G161-V164 PolarHBondContact O-N 2.75Å; T162-V164 PolarHBondContact O-N 3.42Å; V164-L167 PolarHBondContact O-N 3.18Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.11Å; V164-R168 PolarHBondContact O-N 3.35Å
165E98.3Very high97.8Very high125 Ų12552.6 Ų52.658%0.58425%0.25SC*.Hα-helixtrans-60.5-47.7177.8-71.1171.5174.300111.7G161 T162 R168 R169G161-E165 WeakPolarHBondContact O-CG 3.26Å; G161-E165 PolarHBondContact O-N 3Å; T162-E165 PolarHBondContact O-N 3.04Å; E165-R168 PolarHBondContact O-N 3.05Å; E165-R169 PolarHBondContact O-N 3.31Å; E165-R169 VanDerWaalsContact O-N 3.09Å
166W98.4Very high97.6Very high73 Ų7360.2 Ų60.228%0.27729%0.285SS..Hα-helixtrans-68.2-41.2177.6-82103.6000112.5M4 Y58 T162 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.12Å; M4-W166 HydrophobicContact SD-CB 4.5Å; Y58-W166 AromaticContact CD2-CH2 3.53Å; Y58-W166 HydrophobicContact CD2-CH2 3.53Å; Y58-W166 HydrophobicContact CD2-CZ2 4.17Å; Y58-W166 AromaticContact CD2-CZ3 3.9Å; Y58-W166 HydrophobicContact CD2-CZ3 3.9Å; Y58-W166 HydrophobicContact CE2-CE3 4.37Å; Y58-W166 AromaticContact CE2-CH2 3.88Å; Y58-W166 HydrophobicContact CE2-CH2 3.88Å; Y58-W166 HydrophobicContact CE2-CZ2 4.41Å; Y58-W166 AromaticContact CE2-CZ3 3.85Å; Y58-W166 HydrophobicContact CE2-CZ3 3.85Å; T162-W166 VanDerWaalsContact CG2-CD1 3.49Å; T162-W166 WeakPolarHBondContact O-CB 3.38Å; T162-W166 PolarHBondContact O-N 3.44Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 3.4Å; W166-R169 WeakPolarHBondContact O-CB 3.22Å; W166-R169 PolarHBondContact O-N 2.83Å; W166-Y170 HydrophobicContact CB-CE2 4.08Å; W166-Y170 HydrophobicContact CE3-CD1 4.34Å; 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 4.37Å; W166-Y170 AromaticContact CE3-CZ 3.42Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.42Å; W166-Y170 AromaticContact CZ3-CE1 3.82Å; W166-Y170 HydrophobicContact CZ3-CE1 3.82Å; W166-Y170 WeakPolarHBondContact O-CD2 3.45Å; W166-Y170 PolarHBondContact O-N 2.9Å
167L98.6Very high97.3Very high0 Ų058.6 Ų58.60%028%0.284CS..Hα-helixtrans-57.9-45.2175.6175.553.1000111.1H2 M4 V27 V102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.44Å; M4-L167 HydrophobicContact CB-CB 4.1Å; M4-L167 HydrophobicContact CB-CD1 4.01Å; M4-L167 HydrophobicContact CB-CD2 4.16Å; M4-L167 HydrophobicContact CB-CG 4.3Å; M4-L167 HydrophobicContact CE-CB 4.45Å; V27-L167 HydrophobicContact CB-CD1 4.49Å; V27-L167 HydrophobicContact CG1-CD1 3.6Å; V27-L167 HydrophobicContact CG2-CD1 4.2Å; V102-L167 HydrophobicContact CB-CD2 4.44Å; V102-L167 HydrophobicContact CG1-CD2 4Å; V102-L167 HydrophobicContact CG2-CD2 3.68Å; V102-L167 HydrophobicContact CG2-CG 4.34Å; C163-L167 VanDerWaalsContact O-CB 3.32Å; C163-L167 WeakPolarHBondContact O-CB 3.5Å; C163-L167 PolarHBondContact O-N 2.77Å; V164-L167 PolarHBondContact O-N 3.18Å; L167-R169 PolarHBondContact O-N 3.1Å; L167-Y170 PolarHBondContact O-N 3.18Å; L167-L171 HydrophobicContact CD1-CD1 3.67Å; L167-L171 HydrophobicContact CD1-CG 3.9Å; L167-L171 HydrophobicContact CG-CD1 3.91Å; L167-L171 WeakPolarHBondContact O-CB 3.33Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.2Å; L167-L171 PolarHBondContact O-N 3.4Å
168R97.4Very high97.1Very high112 Ų11255.6 Ų55.642%0.42326%0.259SS..Hα-helixtrans-60.6-44.2175.5-72.2173.6-177.6-176.50.8112.2W106 V164 E165 W166 Y170 L171 E172W106-R168 HydrophobicContact CB-CG 4.49Å; W106-R168 HydrophobicContact CE3-CG 4.43Å; W106-R168 VanDerWaalsContact O-CZ 3.32Å; W106-R168 PolarHBondContact O-NE 2.69Å; W106-R168 VanDerWaalsContact O-NE 3.12Å; W106-R168 PolarHBondContact O-NH2 2.8Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.11Å; V164-R168 PolarHBondContact O-N 3.35Å; E165-R168 PolarHBondContact O-N 3.05Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 3.4Å; R168-Y170 VanDerWaalsContact C-N 3.35Å; R168-Y170 PolarHBondContact O-N 2.96Å; R168-L171 PolarHBondContact O-N 3.09Å; R168-E172 PolarHBondContact O-N 3.28Å
169R97.6Very high96.8Very high115 Ų11555.9 Ų55.943%0.43426%0.263SS..Hα-helixtrans-59.5-45.5175.9177.7177.3172.792.2-5.6111.4E54 E165 W166 L167 L171 E172 N173E54-R169 IonicContact OE1-CZ 3.81Å; E54-R169 IonicContact OE1-NE 3.56Å; E54-R169 PolarHBondContact OE1-NE 2.86Å; E54-R169 IonicContact OE1-NH2 3.56Å; E54-R169 PolarHBondContact OE1-NH2 2.84Å; E54-R169 IonicContact OE2-CZ 3.03Å; E54-R169 IonicContact OE2-NE 2.83Å; E54-R169 PolarHBondContact OE2-NE 3.32Å; E54-R169 IonicContact OE2-NH2 2.66Å; E54-R169 PolarHBondContact OE2-NH2 2.88Å; E165-R169 PolarHBondContact O-N 3.31Å; E165-R169 VanDerWaalsContact O-N 3.09Å; W166-R169 WeakPolarHBondContact O-CB 3.22Å; W166-R169 PolarHBondContact O-N 2.83Å; L167-R169 PolarHBondContact O-N 3.1Å; R169-L171 VanDerWaalsContact C-N 3.35Å; R169-L171 PolarHBondContact O-N 3.46Å; R169-E172 PolarHBondContact O-N 2.05Å; R169-N173 VanDerWaalsContact O-CB 3.26Å; R169-N173 WeakPolarHBondContact O-CB 3.23Å; R169-N173 PolarHBondContact O-N 2.94Å; R169-N173 PolarHBondContact O-OD1 2.99Å
170Y98.1Very high96.6Very high2 Ų259.6 Ų59.61%0.00828%0.276CS..Hα-helixtrans-65.1-38.4179.1-62.1-25.9000112.5M4 V27 F32 W50 I51 Y58 W166 L167 R168 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.76Å; M4-Y170 HydrophobicContact SD-CE2 3.56Å; M4-Y170 VanDerWaalsContact SD-CE2 3.56Å; V27-Y170 HydrophobicContact CG2-CD2 3.97Å; F32-Y170 HydrophobicContact CE2-CD2 4.35Å; F32-Y170 AromaticContact CE2-CE2 3.73Å; F32-Y170 HydrophobicContact CE2-CE2 3.73Å; F32-Y170 HydrophobicContact CZ-CD2 4.38Å; F32-Y170 AromaticContact CZ-CE2 3.85Å; F32-Y170 HydrophobicContact CZ-CE2 3.85Å; W50-Y170 HydrophobicContact CE3-CD1 4.38Å; W50-Y170 HydrophobicContact CH2-CD2 4.43Å; W50-Y170 HydrophobicContact CH2-CG 4.12Å; W50-Y170 AromaticContact CZ3-CD1 3.69Å; W50-Y170 HydrophobicContact CZ3-CD1 3.69Å; W50-Y170 HydrophobicContact CZ3-CD2 4.25Å; W50-Y170 HydrophobicContact CZ3-CE1 4.43Å; W50-Y170 AromaticContact CZ3-CG 3.6Å; W50-Y170 HydrophobicContact CZ3-CG 3.6Å; I51-Y170 HydrophobicContact CD1-CD1 3.87Å; I51-Y170 HydrophobicContact CD1-CE1 3.31Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.41Å; Y58-Y170 PolarHBondContact OH-OH 3.08Å; W166-Y170 HydrophobicContact CB-CE2 4.08Å; W166-Y170 HydrophobicContact CE3-CD1 4.34Å; 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 4.37Å; W166-Y170 AromaticContact CE3-CZ 3.42Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.42Å; W166-Y170 AromaticContact CZ3-CE1 3.82Å; W166-Y170 HydrophobicContact CZ3-CE1 3.82Å; W166-Y170 WeakPolarHBondContact O-CD2 3.45Å; W166-Y170 PolarHBondContact O-N 2.9Å; L167-Y170 PolarHBondContact O-N 3.18Å; R168-Y170 VanDerWaalsContact C-N 3.35Å; R168-Y170 PolarHBondContact O-N 2.96Å; Y170-E172 VanDerWaalsContact C-N 3.33Å; Y170-E172 PolarHBondContact O-N 3.05Å; Y170-N173 PolarHBondContact O-N 3.45Å; Y170-G174 WeakPolarHBondContact O-CA 3.14Å; Y170-G174 PolarHBondContact O-N 3.17Å; Y170-L178 WeakPolarHBondContact O-CD1 3.46Å
171L96.9Very high96.4Very high1 Ų158.8 Ų58.81%0.00528%0.277CS..Hα-helixtrans-68.9-30.7177-70.3170.1000113.4H2 V27 W106 L167 R168 R169 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.54Å; H2-L171 HydrophobicContact CB-CD2 4.27Å; V27-L171 HydrophobicContact CG1-CD2 3.83Å; V27-L171 HydrophobicContact CG1-CG 4.34Å; W106-L171 HydrophobicContact CE3-CD1 4.23Å; W106-L171 HydrophobicContact CH2-CB 4.37Å; W106-L171 HydrophobicContact CH2-CD1 3.92Å; W106-L171 HydrophobicContact CZ3-CB 4.4Å; W106-L171 HydrophobicContact CZ3-CD1 3.29Å; W106-L171 HydrophobicContact CZ3-CG 4.44Å; L167-L171 HydrophobicContact CD1-CD1 3.67Å; L167-L171 HydrophobicContact CD1-CG 3.9Å; L167-L171 HydrophobicContact CG-CD1 3.91Å; L167-L171 WeakPolarHBondContact O-CB 3.33Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.2Å; L167-L171 PolarHBondContact O-N 3.4Å; R168-L171 PolarHBondContact O-N 3.09Å; R169-L171 VanDerWaalsContact C-N 3.35Å; R169-L171 PolarHBondContact O-N 3.46Å; L171-K175 VanDerWaalsContact O-CA 3.22Å; L171-K175 WeakPolarHBondContact O-CA 3.46Å; L171-K175 WeakPolarHBondContact O-CB 3.3Å; L171-K175 PolarHBondContact O-N 3.13Å; L171-L178 HydrophobicContact CD2-CB 3.74Å; L171-L178 HydrophobicContact CD2-CD1 4.03Å; L171-Q179 PolarHBondContact O-NE2 3.05Å
172E96.7Very high96.4Very high125 Ų12560.2 Ų60.258%0.58428%0.279SS*.Hα-helixtrans-72.7-49.1171.2-172.159.9-154.200110.7R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 3.28Å; R169-E172 PolarHBondContact O-N 2.05Å; Y170-E172 VanDerWaalsContact C-N 3.33Å; Y170-E172 PolarHBondContact O-N 3.05Å; E172-G174 VanDerWaalsContact C-N 3.32Å; E172-G174 PolarHBondContact O-N 2.97Å; E172-K175 WeakPolarHBondContact O-CB 3.15Å; E172-K175 PolarHBondContact O-N 3.14Å
173N97.1Very high96.4Very high47 Ų4759.5 Ų59.525%0.25128%0.28SS..Hα-helixtrans-59.4-40179.2-77.62.7000113.2Q53 E54 R169 Y170Q53-N173 PolarHBondContact NE2-ND2 3.46Å; E54-N173 PolarHBondContact OE1-ND2 2.97Å; R169-N173 VanDerWaalsContact O-CB 3.26Å; R169-N173 WeakPolarHBondContact O-CB 3.23Å; R169-N173 PolarHBondContact O-N 2.94Å; R169-N173 PolarHBondContact O-OD1 2.99Å; Y170-N173 PolarHBondContact O-N 3.45Å
174G96.6Very high96.4Very high3 Ų360 Ų603%0.03128%0.282CS..THydrogen-bonded Turntrans-105.318.4-175.800000113.8Y170 E172 E176 T177 L178Y170-G174 WeakPolarHBondContact O-CA 3.14Å; Y170-G174 PolarHBondContact O-N 3.17Å; E172-G174 VanDerWaalsContact C-N 3.32Å; E172-G174 PolarHBondContact O-N 2.97Å; G174-E176 VanDerWaalsContact C-N 3.27Å; G174-E176 PolarHBondContact O-N 3.27Å; G174-E176 VanDerWaalsContact O-N 3.12Å; G174-T177 PolarHBondContact O-N 3.29Å; G174-T177 PolarHBondContact O-OG1 3.27Å; G174-L178 PolarHBondContact O-N 3.23Å
175K95.1Very high96.4Very high108 Ų10866.4 Ų66.447%0.4731%0.31SS..Hα-helixtrans-48.1-43.8-170.6-178.2172.1-175.51760114.3L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.22Å; L171-K175 WeakPolarHBondContact O-CA 3.46Å; L171-K175 WeakPolarHBondContact O-CB 3.3Å; L171-K175 PolarHBondContact O-N 3.13Å; E172-K175 WeakPolarHBondContact O-CB 3.15Å; E172-K175 PolarHBondContact O-N 3.14Å; K175-T177 PolarHBondContact O-N 2.98Å; K175-Q179 HydrophobicContact CG-CB 4.49Å; K175-Q179 HydrophobicContact CG-CG 4.41Å; K175-Q179 WeakPolarHBondContact O-CB 3.48Å; K175-Q179 PolarHBondContact O-N 3.12Å; K175-Q179 VanDerWaalsContact O-N 3.16Å
176E92.1Very high96.4Very high182 Ų18262.2 Ų62.285%0.8529%0.293SS*.Hα-helixtrans-63-25.1179.8-62.5-175.6168.900113.6G174G174-E176 VanDerWaalsContact C-N 3.27Å; G174-E176 PolarHBondContact O-N 3.27Å; G174-E176 VanDerWaalsContact O-N 3.12Å
177T92.4Very high96.3Very high44 Ų4462.5 Ų62.527%0.2730%0.297SS..Hα-helixtrans-106.7-40.5-177.755.50000113.4W50 G174 K175 R180W50-T177 VanDerWaalsContact CD1-OG1 3.32Å; G174-T177 PolarHBondContact O-N 3.29Å; G174-T177 PolarHBondContact O-OG1 3.27Å; K175-T177 PolarHBondContact O-N 2.98Å; T177-R180 VanDerWaalsContact O-CG 3.3Å; T177-R180 WeakPolarHBondContact O-CG 3.47Å
178L93.9Very high96.2Very high2 Ų264.1 Ų64.11%0.0131%0.305CS..Hα-helixtrans-87.3-26.5-172.8-61.9172.8000112.7V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.28Å; V27-L178 HydrophobicContact CB-CD2 4.11Å; V27-L178 HydrophobicContact CG1-CD1 3.94Å; V27-L178 HydrophobicContact CG1-CD2 4.09Å; T30-L178 HydrophobicContact CG2-CD2 3.92Å; W50-L178 HydrophobicContact CD2-CD1 4.34Å; W50-L178 HydrophobicContact CH2-CD1 4.3Å; W50-L178 HydrophobicContact CZ2-CD1 3.77Å; W50-L178 HydrophobicContact CZ2-CD2 4.07Å; W50-L178 HydrophobicContact CZ2-CG 4.35Å; Y170-L178 WeakPolarHBondContact O-CD1 3.46Å; L171-L178 HydrophobicContact CD2-CB 3.74Å; L171-L178 HydrophobicContact CD2-CD1 4.03Å; G174-L178 PolarHBondContact O-N 3.23Å
179Q92.6Very high96.1Very high70 Ų7060.4 Ų60.433%0.32730%0.295SS..SBendtrans-101.912.7176.1-55.1-178.629.500111.7L171 K175L171-Q179 PolarHBondContact O-NE2 3.05Å; K175-Q179 HydrophobicContact CG-CB 4.49Å; K175-Q179 HydrophobicContact CG-CG 4.41Å; K175-Q179 WeakPolarHBondContact O-CB 3.48Å; K175-Q179 PolarHBondContact O-N 3.12Å; K175-Q179 VanDerWaalsContact O-N 3.16Å
180R93.9Very high96.1Very high78 Ų7857.8 Ų57.829%0.29429%0.287SS..  trans-80.1153.1172.188.5-174.7177.2-151.2-6.3109.9T177 D182 Y208T177-R180 VanDerWaalsContact O-CG 3.3Å; T177-R180 WeakPolarHBondContact O-CG 3.47Å; R180-D182 WeakPolarHBondContact CD-OD2 3.31Å; R180-D182 IonicContact CZ-OD2 2.68Å; R180-D182 IonicContact NE-OD2 3.1Å; R180-D182 PolarHBondContact NE-OD2 2.79Å; R180-Y208 HydrophobicContact CG-CD1 4.08Å; R180-Y208 WeakPolarHBondContact O-CD1 3.5Å
181T95.6Very high96Very high60 Ų6062 Ų6237%0.36831%0.307SS..  trans-135.5114.5170.5-41.20000108Y208 E263T181-Y208 CarbonylContact C-O 3.53Å; T181-Y208 WeakPolarHBondContact CA-O 3.36Å; T181-Y208 WeakPolarHBondContact CG2-O 3.22Å; T181-E263 HydrophobicContact CG2-CB 4.15Å; T181-E263 HydrophobicContact CG2-CG 4.3Å
182D97.3Very high95.8Very high52 Ų5265.7 Ų65.728%0.27834%0.337SS..BIsolated β-bridgetrans-99.2113.2-178.1-60.5-44000108R180 F207 Y208 H262R180-D182 WeakPolarHBondContact CD-OD2 3.31Å; R180-D182 IonicContact CZ-OD2 2.68Å; R180-D182 IonicContact NE-OD2 3.1Å; R180-D182 PolarHBondContact NE-OD2 2.79Å; D182-F207 VanDerWaalsContact O-CA 3.23Å; D182-F207 WeakPolarHBondContact O-CA 3.34Å; D182-F207 WeakPolarHBondContact O-CB 3.36Å; D182-Y208 PolarHBondContact N-O 3.49Å; D182-Y208 PolarHBondContact O-N 3.08Å; D182-Y208 VanDerWaalsContact O-N 3.11Å; D182-H262 PolarHBondContact O-CE1 2.96Å
183A98.1Very high95.6Very high44 Ų4464.1 Ų64.136%0.36434%0.336SS..  trans-67.1142.3179.700000111.4K185 L265A183-K185 PolarHBondContact O-N 2.62Å; A183-L265 HydrophobicContact CB-CD2 4.02Å
184P98.4Very high95.5Very high9 Ų964.4 Ų64.46%0.05834%0.342CS..  trans-63.3131.1179.126.6-35.2000111.6T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.06Å; P184-T186 HydrophobicContact CG-CG2 4.28Å; P184-T186 PolarHBondContact O-N 3.18Å; P184-A204 HydrophobicContact CB-CB 3.87Å; P184-F207 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CD1 4.04Å; 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 3.94Å; P184-H262 HydrophobicContact CG-CB 3.99Å; P184-L265 HydrophobicContact CG-CD1 3.88Å; P184-L265 HydrophobicContact CG-CD2 4.44Å; P184-L265 HydrophobicContact CG-CG 4.2Å
185K98.4Very high95.2Very high143 Ų14371.5 Ų71.562%0.62238%0.379SS*.EExtended strand (participates in β ladder)trans-77.9108.3164-66.7175.1-179.9166.90107.8A183 L205A183-K185 PolarHBondContact O-N 2.62Å; K185-L205 PolarHBondContact N-O 2.83Å; K185-L205 PolarHBondContact O-N 3.15Å
186T98.2Very high95.2Very high36 Ų3673.3 Ų73.322%0.22139%0.389CS..EExtended strand (participates in β ladder)trans-103.7143-175.458.60000112P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.06Å; P184-T186 HydrophobicContact CG-CG2 4.28Å; P184-T186 PolarHBondContact O-N 3.18Å; T186-W203 WeakPolarHBondContact CA-O 3.49Å; T186-W203 WeakPolarHBondContact CB-O 3.31Å; T186-A204 HydrophobicContact CG2-CB 4.41Å; 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 4.25Å; T186-L271 HydrophobicContact CG2-CD1 4.19Å
187H96.3Very high95.4Very high80 Ų8068.9 Ų68.937%0.3737%0.368SS..EExtended strand (participates in β ladder)trans-155.1165.3170.668.6-78.7000109.9W203H187-W203 AromaticContact CD2-CD1 3.97Å; H187-W203 WeakPolarHBondContact CE1-CB 3.09Å; H187-W203 AromaticContact CE1-CD1 3.81Å; H187-W203 AromaticContact CE1-CG 3.54Å; H187-W203 PolarHBondContact N-O 3.21Å; H187-W203 AromaticContact NE2-CD1 3.42Å; H187-W203 AromaticContact NE2-CG 3.64Å; H187-W203 PolarHBondContact O-N 2.82Å
188M96.7Very high95.6Very high34 Ų3466.8 Ų66.817%0.16736%0.355CS..EExtended strand (participates in β ladder)trans-116.3144.7177.5-75.5-177.247.100111.1L200 R201 W216 L271 W273M188-L200 HydrophobicContact CE-CD1 4.44Å; M188-R201 WeakPolarHBondContact CA-O 3.32Å; M188-W216 HydrophobicContact CE-CH2 3.51Å; M188-W216 HydrophobicContact CE-CZ2 4.41Å; M188-W216 HydrophobicContact CE-CZ3 4.31Å; M188-W216 HydrophobicContact SD-CH2 4.1Å; M188-L271 HydrophobicContact CG-CB 4.34Å; M188-L271 HydrophobicContact SD-CB 3.74Å; M188-W273 VanDerWaalsContact CE-CA 3.49Å; M188-W273 HydrophobicContact CE-CB 3.53Å
189T96.9Very high95.8Very high33 Ų3367.7 Ų67.720%0.20236%0.361CS..EExtended strand (participates in β ladder)trans-122.8141.3173.651.30000108.9R201 W203T189-R201 PolarHBondContact N-O 3.03Å; T189-R201 PolarHBondContact O-N 2.83Å; T189-R201 WeakPolarHBondContact OG1-CB 3.15Å; T189-R201 PolarHBondContact OG1-O 2.92Å; T189-W203 PolarHBondContact OG1-NE1 2.91Å
190H96.9Very high96.1Very high60 Ų6064.4 Ų64.428%0.27835%0.346SS..EExtended strand (participates in β ladder)trans-120.2126.8178.5166.3-78.7000108.5A198 T199 L200 W273H190-A198 WeakPolarHBondContact NE2-CB 3.44Å; H190-T199 WeakPolarHBondContact CA-O 3.36Å; H190-L200 HydrophobicContact CB-CD2 4.09Å; H190-W273 HydrophobicContact CB-CD2 4.29Å; H190-W273 HydrophobicContact CB-CG 4.33Å; H190-W273 HydrophobicContact CB-CZ2 4.15Å; H190-W273 VanDerWaalsContact CB-NE1 3.31Å; H190-W273 AromaticContact CD2-CE2 4Å; H190-W273 AromaticContact CG-CE2 3.82Å; H190-W273 AromaticContact CG-CZ2 3.88Å; H190-W273 AromaticContact CG-NE1 4Å
191H95.4Very high96.3Very high91 Ų9163.1 Ų63.142%0.42134%0.341SS..EExtended strand (participates in β ladder)trans-128.8113.4178.3-60.5-73.5000109.4V193 A198 T199 R201H191-V193 PolarHBondContact O-N 3.4Å; H191-A198 CarbonylContact O-C 3.49Å; H191-A198 VanDerWaalsContact O-CA 3.27Å; H191-A198 WeakPolarHBondContact O-CA 3.43Å; H191-T199 PolarHBondContact N-O 2.94Å; H191-T199 PolarHBondContact O-N 2.94Å; H191-R201 PolarHBondContact CD2-NH1 3.13Å; H191-R201 PolarHBondContact NE2-NH1 2.85Å
192A93.6Very high96.4Very high78 Ų7860.2 Ų60.265%0.64532%0.323SS*.EExtended strand (participates in β ladder)trans-64.5126.9172.600000109.5
193V92.4Very high96.5Very high92 Ų9260 Ų6056%0.55832%0.318SS*.  trans-98.4-39.9177.1-179.60000109.7H191 E197 T199H191-V193 PolarHBondContact O-N 3.4Å; V193-E197 PolarHBondContact N-O 3.14Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.18Å
194S93.8Very high96.5Very high53 Ų5357.9 Ų57.937%0.37130%0.301SS..SBendtrans-149.7-178.5174.971.10000110.3H196 E197S194-H196 PolarHBondContact O-N 2.67Å; S194-H196 VanDerWaalsContact O-N 3.15Å; S194-H196 PolarHBondContact OG-N 3.18Å; S194-H196 VanDerWaalsContact OG-N 3.17Å; S194-E197 PolarHBondContact N-O 3.34Å; S194-E197 VanDerWaalsContact N-O 3.09Å; S194-E197 VanDerWaalsContact O-O 3.1Å; S194-E197 PolarHBondContact OG-N 2.97Å
195D91.8Very high96.5Very high152 Ų15259.7 Ų59.781%0.81331%0.31SS*.SBendtrans-65.4-10172.2-64.9-20.3000113.4
196H94.5Very high96.5Very high146 Ų14654.9 Ų54.968%0.67629%0.294SS*.SBendtrans-116.1-15.3-175.8-56.4-41.9000113.5S194 P249 S250S194-H196 PolarHBondContact O-N 2.67Å; S194-H196 VanDerWaalsContact O-N 3.15Å; S194-H196 PolarHBondContact OG-N 3.18Å; S194-H196 VanDerWaalsContact OG-N 3.17Å; H196-P249 CarbonylContact O-C 3.57Å; H196-P249 VanDerWaalsContact O-CA 3.31Å; H196-P249 WeakPolarHBondContact O-CA 3.43Å; H196-S250 PolarHBondContact O-N 2.88Å; H196-S250 PolarHBondContact O-OG 2.86Å
197E96.1Very high96.5Very high89 Ų8953.1 Ų53.142%0.41628%0.284SS..EExtended strand (participates in β ladder)trans-143.5144.9-171-66.4-178.2158.400112.6V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 3.14Å; S194-E197 PolarHBondContact N-O 3.34Å; S194-E197 VanDerWaalsContact N-O 3.09Å; S194-E197 VanDerWaalsContact O-O 3.1Å; S194-E197 PolarHBondContact OG-N 2.97Å; E197-V247 HydrophobicContact CB-CG1 3.98Å; E197-V247 HydrophobicContact CG-CG1 4.22Å; E197-V248 VanDerWaalsContact CA-O 3.32Å; E197-V248 WeakPolarHBondContact CA-O 3.33Å; E197-S250 PolarHBondContact N-OG 2.8Å
198A97Very high96.6Very high0 Ų049.5 Ų49.50%027%0.267CS..EExtended strand (participates in β ladder)trans-133151.6170.800000110.8H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.44Å; H191-A198 CarbonylContact O-C 3.49Å; H191-A198 VanDerWaalsContact O-CA 3.27Å; H191-A198 WeakPolarHBondContact O-CA 3.43Å; A198-V247 WeakPolarHBondContact O-CA 3.38Å; A198-V248 HydrophobicContact CB-CG2 4.47Å; A198-V248 PolarHBondContact N-O 3.07Å; A198-V248 WeakPolarHBondContact O-CG2 3.42Å; A198-V248 PolarHBondContact O-N 3.03Å
199T98.1Very high96.6Very high22 Ų2248.9 Ų48.914%0.13527%0.265CS..EExtended strand (participates in β ladder)trans-91.5121.9168-550000109.2H190 H191 V193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.36Å; H191-T199 PolarHBondContact N-O 2.94Å; H191-T199 PolarHBondContact O-N 2.94Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.18Å; T199-A245 HydrophobicContact CG2-CB 3.91Å; T199-V246 WeakPolarHBondContact CA-O 3.37Å
200L98.3Very high96.7Very high0 Ų048.1 Ų48.10%026%0.262CS..EExtended strand (participates in β ladder)trans-94.5124.3163.9-62.2-177000108.5M188 H190 W216 A245 V246 V248 E253 W273M188-L200 HydrophobicContact CE-CD1 4.44Å; H190-L200 HydrophobicContact CB-CD2 4.09Å; L200-W216 HydrophobicContact CB-CH2 3.64Å; L200-W216 HydrophobicContact CB-CZ2 3.83Å; L200-W216 HydrophobicContact CB-CZ3 4.48Å; L200-W216 HydrophobicContact CD1-CH2 4.06Å; L200-W216 HydrophobicContact CD1-CZ3 4.26Å; L200-A245 CarbonylContact O-C 3.51Å; L200-A245 WeakPolarHBondContact O-CA 3.42Å; L200-V246 HydrophobicContact CB-CG2 4.24Å; L200-V246 PolarHBondContact N-O 3.39Å; L200-V246 PolarHBondContact O-N 3.48Å; L200-V248 HydrophobicContact CD1-CG1 3.98Å; L200-V248 HydrophobicContact CD1-CG2 3.97Å; L200-V248 HydrophobicContact CG-CG1 4.16Å; L200-V248 HydrophobicContact CG-CG2 3.81Å; L200-E253 HydrophobicContact CD1-CB 4.11Å; L200-E253 HydrophobicContact CD1-CG 4.45Å; L200-E253 HydrophobicContact CD2-CB 4.48Å; L200-E253 HydrophobicContact CD2-CG 4.24Å; L200-W273 HydrophobicContact CD2-CB 4.07Å; L200-W273 HydrophobicContact CD2-CG 4.13Å
201R98.5Very high96.7Very high51 Ų5152.4 Ų52.419%0.19228%0.282CS..EExtended strand (participates in β ladder)trans-121.4122.4176.1179.6-176.3-59.7112.9-0.3110.4M188 T189 H191 W203 W243 A244 A245M188-R201 WeakPolarHBondContact CA-O 3.32Å; T189-R201 PolarHBondContact N-O 3.03Å; T189-R201 PolarHBondContact O-N 2.83Å; T189-R201 WeakPolarHBondContact OG1-CB 3.15Å; T189-R201 PolarHBondContact OG1-O 2.92Å; H191-R201 PolarHBondContact CD2-NH1 3.13Å; H191-R201 PolarHBondContact NE2-NH1 2.85Å; R201-W203 VanDerWaalsContact CD-NE1 3.33Å; R201-W203 HydrophobicContact CG-CZ2 4.45Å; 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 3.47Å; R201-A245 HydrophobicContact CB-CB 3.94Å; R201-A245 HydrophobicContact CG-CB 4.12Å
202C98.5Very high96.9Very high0 Ų048.7 Ų48.70%027%0.265CS..EExtended strand (participates in β ladder)trans-95.6122.6176.1-175.60000109.5W216 W243 A244 C258C202-W216 HydrophobicContact CB-CZ2 3.71Å; C202-W243 CarbonylContact O-C 3.57Å; C202-W243 WeakPolarHBondContact O-CA 3.48Å; C202-W243 VanDerWaalsContact O-CB 3.25Å; C202-W243 WeakPolarHBondContact O-CB 3.44Å; C202-A244 PolarHBondContact N-O 3.26Å; C202-A244 PolarHBondContact O-N 2.91Å; C202-C258 HydrophobicContact CB-CB 3.47Å; C202-C258 VanDerWaalsContact CB-CB 3.47Å; C202-C258 WeakPolarHBondContact CB-SG 3.06Å; C202-C258 WeakPolarHBondContact SG-CB 3.21Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 2.83Å
203W98.6Very high97.1Very high47 Ų4747.6 Ų47.618%0.17825%0.251CS..EExtended strand (participates in β ladder)trans-105.1141.9-179.4-70.791000110.8T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.49Å; T186-W203 WeakPolarHBondContact CB-O 3.31Å; H187-W203 AromaticContact CD2-CD1 3.97Å; H187-W203 WeakPolarHBondContact CE1-CB 3.09Å; H187-W203 AromaticContact CE1-CD1 3.81Å; H187-W203 AromaticContact CE1-CG 3.54Å; H187-W203 PolarHBondContact N-O 3.21Å; H187-W203 AromaticContact NE2-CD1 3.42Å; H187-W203 AromaticContact NE2-CG 3.64Å; H187-W203 PolarHBondContact O-N 2.82Å; T189-W203 PolarHBondContact OG1-NE1 2.91Å; R201-W203 VanDerWaalsContact CD-NE1 3.33Å; R201-W203 HydrophobicContact CG-CZ2 4.45Å; W203-L205 HydrophobicContact CE3-CD2 3.9Å; W203-L205 HydrophobicContact CZ3-CD2 4.44Å; W203-W243 HydrophobicContact CD2-CB 3.88Å; W203-W243 HydrophobicContact CD2-CG 4.42Å; W203-W243 HydrophobicContact CE3-CB 3.81Å; W203-W243 AromaticContact CE3-CD1 3.86Å; W203-W243 HydrophobicContact CE3-CG 4.16Å; W203-W243 HydrophobicContact CG-CB 4.35Å; W203-W243 AromaticContact CH2-CD1 3.5Å; W203-W243 HydrophobicContact CH2-CG 4.16Å; W203-W243 AromaticContact CH2-NE1 3.96Å; W203-W243 HydrophobicContact CZ2-CG 4.41Å; W203-W243 HydrophobicContact CZ3-CB 4.2Å; W203-W243 AromaticContact CZ3-CD1 3.34Å; W203-W243 HydrophobicContact CZ3-CG 4.04Å
204A98.8Very high97.4Very high0 Ų043.6 Ų43.60%023%0.226CC..EExtended strand (participates in β ladder)trans-124.4121.4162.500000107.9P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.87Å; T186-A204 HydrophobicContact CG2-CB 4.41Å; A204-F207 HydrophobicContact CB-CD1 4.1Å; A204-F207 HydrophobicContact CB-CE1 3.92Å; A204-F207 WeakPolarHBondContact O-CE1 3.46Å; A204-I212 HydrophobicContact CB-CD1 3.59Å; A204-L214 HydrophobicContact CB-CD1 3.99Å; A204-L214 HydrophobicContact CB-CD2 4.16Å; A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.46Å; A204-K242 PolarHBondContact N-O 3.09Å; A204-K242 PolarHBondContact O-N 2.85Å; A204-K242 VanDerWaalsContact O-O 3.1Å
205L98.5Very high97.6Very high47 Ų4743 Ų4325%0.24622%0.22CC..EExtended strand (participates in β ladder)trans-126.2155.5-176.3-59.6179.5000111.1K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 2.83Å; K185-L205 PolarHBondContact O-N 3.15Å; W203-L205 HydrophobicContact CE3-CD2 3.9Å; W203-L205 HydrophobicContact CZ3-CD2 4.44Å; L205-F207 VanDerWaalsContact C-N 3.3Å; L205-F207 PolarHBondContact O-N 2.98Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å
206S97.8Very high97.9Very high41 Ų4135.8 Ų35.829%0.28718%0.182SC..EExtended strand (participates in β ladder)trans55.640.6170.4-55.10000114T239 F240S206-T239 WeakPolarHBondContact CA-OG1 3.23Å; S206-F240 PolarHBondContact N-O 3.43Å
207F98.4Very high98.1Very high0 Ų030.9 Ų30.90%016%0.159CC..EExtended strand (participates in β ladder)trans-105.3154.6177.561.2-89.6000112.6D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 VanDerWaalsContact O-CA 3.23Å; D182-F207 WeakPolarHBondContact O-CA 3.34Å; D182-F207 WeakPolarHBondContact O-CB 3.36Å; P184-F207 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CD1 4.04Å; P184-F207 HydrophobicContact CB-CG 4.22Å; A204-F207 HydrophobicContact CB-CD1 4.1Å; A204-F207 HydrophobicContact CB-CE1 3.92Å; A204-F207 WeakPolarHBondContact O-CE1 3.46Å; L205-F207 VanDerWaalsContact C-N 3.3Å; L205-F207 PolarHBondContact O-N 2.98Å; F207-P209 VanDerWaalsContact CD2-O 3.3Å; F207-P209 WeakPolarHBondContact CD2-O 3.47Å; F207-I212 HydrophobicContact CD1-CD1 3.86Å; F207-I212 HydrophobicContact CD2-CB 4.24Å; F207-I212 HydrophobicContact CD2-CD1 3.98Å; F207-I212 HydrophobicContact CD2-CG2 4.5Å; F207-I212 HydrophobicContact CE1-CD1 3.8Å; F207-I212 HydrophobicContact CE1-CG2 4.38Å; F207-I212 HydrophobicContact CE2-CB 3.73Å; F207-I212 HydrophobicContact CE2-CD1 3.95Å; F207-I212 HydrophobicContact CE2-CG1 4.42Å; F207-I212 HydrophobicContact CE2-CG2 3.56Å; F207-I212 HydrophobicContact CG-CD1 3.97Å; F207-I212 HydrophobicContact CZ-CB 4.1Å; F207-I212 HydrophobicContact CZ-CD1 3.88Å; F207-I212 HydrophobicContact CZ-CG2 3.5Å; F207-T232 HydrophobicContact CE2-CG2 4.04Å; F207-T232 HydrophobicContact CZ-CG2 3.81Å; F207-T239 CarbonylContact O-C 3.58Å; F207-T239 WeakPolarHBondContact O-CA 3.36Å; F207-F240 VanDerWaalsContact CD1-O 3.26Å; F207-F240 WeakPolarHBondContact CD1-O 3.49Å; F207-F240 HydrophobicContact CD2-CB 3.93Å; F207-F240 HydrophobicContact CE1-CB 4.17Å; F207-F240 WeakPolarHBondContact CE1-O 3.34Å; 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 3.58Å; F207-F240 PolarHBondContact N-O 2.84Å; F207-F240 PolarHBondContact O-N 3.37Å; F207-K242 HydrophobicContact CE1-CB 4.32Å; F207-K242 HydrophobicContact CZ-CB 4.14Å; F207-H262 AromaticContact CD2-CD2 3.82Å; F207-H262 AromaticContact CD2-NE2 3.73Å
208Y97.9Very high98.2Very high4 Ų430 Ų302%0.01615%0.152CC..BIsolated β-bridgetrans-151.6135.1173.6-179.3-86.3000108.9D29 T30 R180 T181 D182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 3.84Å; T30-Y208 PolarHBondContact OG1-OH 2.89Å; R180-Y208 HydrophobicContact CG-CD1 4.08Å; R180-Y208 WeakPolarHBondContact O-CD1 3.5Å; T181-Y208 CarbonylContact C-O 3.53Å; T181-Y208 WeakPolarHBondContact CA-O 3.36Å; T181-Y208 WeakPolarHBondContact CG2-O 3.22Å; D182-Y208 PolarHBondContact N-O 3.49Å; D182-Y208 PolarHBondContact O-N 3.08Å; D182-Y208 VanDerWaalsContact O-N 3.11Å; Y208-G238 WeakPolarHBondContact CD2-O 3.18Å; Y208-F240 HydrophobicContact CD2-CD2 4.44Å; Y208-F240 HydrophobicContact CD2-CE2 4Å; Y208-F240 HydrophobicContact CE2-CE2 4.43Å; Y208-H262 PolarHBondContact O-CE1 2.86Å
209P97.4Very high98.2Very high21 Ų2134.7 Ų34.714%0.13618%0.177CC..SBendcis-72.6-177.43.231.3-36.8000114D29 F207 E211 H262D29-P209 VanDerWaalsContact OD2-CB 3.24Å; D29-P209 WeakPolarHBondContact OD2-CB 3Å; F207-P209 VanDerWaalsContact CD2-O 3.3Å; F207-P209 WeakPolarHBondContact CD2-O 3.47Å; P209-E211 VanDerWaalsContact C-N 3.29Å; P209-E211 PolarHBondContact O-N 2.96Å; P209-H262 PolarHBondContact O-NE2 3.14Å
210A97.8Very high98Very high17 Ų1735.9 Ų35.914%0.1419%0.193CC..SBendtrans-70.3-22.7-176.500000114D29 I212 T232 F240D29-A210 WeakPolarHBondContact OD2-CB 3.42Å; D29-A210 PolarHBondContact OD2-N 3.17Å; A210-I212 PolarHBondContact O-N 3.02Å; 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 high149 Ų14942.9 Ų42.970%0.69623%0.226SC*.  trans-67.3117.1-178.3-172.159.7-149.600110.6P209 H262P209-E211 VanDerWaalsContact C-N 3.29Å; P209-E211 PolarHBondContact O-N 2.96Å; E211-H262 PolarHBondContact O-CD2 3.32Å; E211-H262 VanDerWaalsContact O-CD2 3.26Å
212I98.5Very high97.9Very high13 Ų1344.9 Ų44.97%0.06724%0.241CC..  trans-153.2144-178.8-163.3171.6000110.1P184 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 3.59Å; F207-I212 HydrophobicContact CD1-CD1 3.86Å; F207-I212 HydrophobicContact CD2-CB 4.24Å; F207-I212 HydrophobicContact CD2-CD1 3.98Å; F207-I212 HydrophobicContact CD2-CG2 4.5Å; F207-I212 HydrophobicContact CE1-CD1 3.8Å; F207-I212 HydrophobicContact CE1-CG2 4.38Å; F207-I212 HydrophobicContact CE2-CB 3.73Å; F207-I212 HydrophobicContact CE2-CD1 3.95Å; F207-I212 HydrophobicContact CE2-CG1 4.42Å; F207-I212 HydrophobicContact CE2-CG2 3.56Å; F207-I212 HydrophobicContact CG-CD1 3.97Å; F207-I212 HydrophobicContact CZ-CB 4.1Å; F207-I212 HydrophobicContact CZ-CD1 3.88Å; F207-I212 HydrophobicContact CZ-CG2 3.5Å; A210-I212 PolarHBondContact O-N 3.02Å; I212-L214 HydrophobicContact CB-CD1 4.46Å; I212-L214 HydrophobicContact CD1-CD1 3.64Å; I212-L214 HydrophobicContact CG1-CD1 3.63Å; I212-L214 HydrophobicContact CG2-CD1 4.09Å; I212-K242 HydrophobicContact CG2-CB 4.29Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; I212-V260 HydrophobicContact CD1-CG1 4.06Å; I212-V260 HydrophobicContact CG1-CG1 4.36Å; I212-Q261 VanDerWaalsContact CG1-O 3.28Å; I212-Q261 WeakPolarHBondContact CG1-O 3.34Å; I212-H262 HydrophobicContact CD1-CB 4.4Å; I212-H262 HydrophobicContact CG1-CB 4.14Å
213T98.4Very high97.8Very high56 Ų5646.1 Ų46.134%0.34425%0.247SC..EExtended strand (participates in β ladder)trans-115.3122.4174.7-57.10000109.8T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 3.98Å; T213-V260 WeakPolarHBondContact O-CA 3.38Å; T213-Q261 PolarHBondContact N-O 3.33Å; T213-Q261 PolarHBondContact O-N 2.7Å
214L98.4Very high97.7Very high7 Ų749 Ų494%0.03727%0.27CS..EExtended strand (participates in β ladder)trans-117.5120.3171.7-85.262.3000108.1A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 3.99Å; A204-L214 HydrophobicContact CB-CD2 4.16Å; I212-L214 HydrophobicContact CB-CD1 4.46Å; I212-L214 HydrophobicContact CD1-CD1 3.64Å; I212-L214 HydrophobicContact CG1-CD1 3.63Å; I212-L214 HydrophobicContact CG2-CD1 4.09Å; L214-L229 HydrophobicContact CB-CD1 4.24Å; L214-K242 HydrophobicContact CD1-CD 4.25Å; L214-K242 HydrophobicContact CD2-CB 4.32Å; L214-K242 HydrophobicContact CD2-CG 4.39Å; L214-A244 HydrophobicContact CB-CB 3.99Å; L214-A244 HydrophobicContact CD2-CB 4.3Å; L214-H259 WeakPolarHBondContact CA-O 3.37Å; L214-V260 HydrophobicContact CD1-CG1 4.15Å; L214-V260 HydrophobicContact CG-CG2 4.37Å
215T98.3Very high97.5Very high40 Ų4058.1 Ų58.125%0.24531%0.312CS..EExtended strand (participates in β ladder)trans-130147.9175.857.40000111.4T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 3.98Å; T215-C258 CarbonylContact O-C 3.56Å; T215-C258 WeakPolarHBondContact O-CA 3.22Å; T215-H259 PolarHBondContact N-O 3.12Å; T215-H259 PolarHBondContact O-N 3.1Å
216W98.4Very high97.3Very high2 Ų261.2 Ų61.21%0.00833%0.329CS..EExtended strand (participates in β ladder)trans-103.1135.8169.8-83.3104.4000110M188 L200 C202 D222 Q223 A244 V246 T257 C258M188-W216 HydrophobicContact CE-CH2 3.51Å; M188-W216 HydrophobicContact CE-CZ2 4.41Å; M188-W216 HydrophobicContact CE-CZ3 4.31Å; M188-W216 HydrophobicContact SD-CH2 4.1Å; L200-W216 HydrophobicContact CB-CH2 3.64Å; L200-W216 HydrophobicContact CB-CZ2 3.83Å; L200-W216 HydrophobicContact CB-CZ3 4.48Å; L200-W216 HydrophobicContact CD1-CH2 4.06Å; L200-W216 HydrophobicContact CD1-CZ3 4.26Å; C202-W216 HydrophobicContact CB-CZ2 3.71Å; W216-D222 WeakPolarHBondContact O-CA 3.49Å; W216-Q223 HydrophobicContact CB-CB 4.27Å; W216-Q223 PolarHBondContact O-N 3.41Å; W216-A244 PolarHBondContact NE1-O 2.83Å; W216-V246 HydrophobicContact CB-CG1 3.7Å; W216-V246 HydrophobicContact CB-CG2 4.47Å; 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 4.4Å; W216-V246 HydrophobicContact CG-CG1 3.62Å; W216-V246 HydrophobicContact CG-CG2 3.86Å; 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 3.4Å; W216-C258 HydrophobicContact CD2-CB 4.19Å; W216-C258 HydrophobicContact CE3-CB 4.16Å; W216-C258 HydrophobicContact CH2-CB 4.05Å; W216-C258 HydrophobicContact CZ2-CB 4.06Å; W216-C258 HydrophobicContact CZ3-CB 4.08Å
217Q98.4Very high97.3Very high42 Ų4260.4 Ų60.420%0.19632%0.322CS..EExtended strand (participates in β ladder)trans-119.5145.3170.7-70.2-173.6-9.600110.3E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.58Å; Q217-E221 VanDerWaalsContact CA-O 3.22Å; Q217-E221 WeakPolarHBondContact CA-O 3.44Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.38Å; Q217-D222 PolarHBondContact NE2-OD1 3.16Å; Q217-Y256 CarbonylContact O-C 3.58Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.24Å; Q217-T257 PolarHBondContact N-O 2.89Å; Q217-T257 PolarHBondContact O-N 2.99Å; Q217-H259 PolarHBondContact OE1-CE1 3.17Å; Q217-H259 PolarHBondContact OE1-NE2 3.44Å
218R98Very high97.3Very high71 Ų7166 Ų6627%0.26835%0.348SS..EExtended strand (participates in β ladder)trans-117.2117.8168.3-177-172.5-178.1172.60.5108.1G220 E221 Q223 R255 Y256R218-G220 PolarHBondContact O-N 3.26Å; R218-E221 PolarHBondContact N-O 3.22Å; R218-E221 PolarHBondContact O-N 3.42Å; R218-Q223 HydrophobicContact CB-CG 3.94Å; R218-R255 WeakPolarHBondContact CA-O 3.36Å; R218-R255 HydrophobicContact CG-CB 4.45Å; R218-Y256 HydrophobicContact CB-CD1 3.99Å; R218-Y256 HydrophobicContact CB-CE1 3.76Å; R218-Y256 WeakPolarHBondContact CD-OH 3.43Å; R218-Y256 HydrophobicContact CG-CD1 4.34Å; R218-Y256 HydrophobicContact CG-CE1 3.9Å; R218-Y256 HydrophobicContact CG-CE2 4.21Å; R218-Y256 PolarHBondContact NH1-OH 3.35Å
219D96.6Very high97.3Very high99 Ų9970 Ų7053%0.52937%0.37SS..THydrogen-bonded Turntrans50.828.9-174.9-49.9-58.3000113.9R255D219-R255 PolarHBondContact N-O 3.25Å; D219-R255 WeakPolarHBondContact OD1-CB 3.47Å; D219-R255 WeakPolarHBondContact OD1-CG 3.44Å; D219-R255 IonicContact OD1-NE 3.18Å; D219-R255 PolarHBondContact OD1-NE 3.34Å; D219-R255 IonicContact OD2-CZ 3.1Å; D219-R255 IonicContact OD2-NE 2.84Å; D219-R255 PolarHBondContact OD2-NE 3.42Å; D219-R255 IonicContact OD2-NH2 2.61Å; D219-R255 PolarHBondContact OD2-NH2 2.97Å
220G94.1Very high97.3Very high46 Ų4670.5 Ų70.547%0.47437%0.372SS..THydrogen-bonded Turntrans93.1-2.6-177.900000115.8R218R218-G220 PolarHBondContact O-N 3.26Å
221E97.4Very high97.3Very high147 Ų14777.9 Ų77.969%0.68740%0.404SS*.EExtended strand (participates in β ladder)trans-99.2128.6177.9-63.6-173.4173.100112.1Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.58Å; Q217-E221 VanDerWaalsContact CA-O 3.22Å; Q217-E221 WeakPolarHBondContact CA-O 3.44Å; R218-E221 PolarHBondContact N-O 3.22Å; R218-E221 PolarHBondContact O-N 3.42Å; E221-Q223 PolarHBondContact O-NE2 3.43Å
222D97.3Very high97.3Very high93 Ų9373 Ų7350%0.49738%0.384SS..EExtended strand (participates in β ladder)trans-62133.9-179.3-70.8-17.6000112.4W216 Q217W216-D222 WeakPolarHBondContact O-CA 3.49Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.38Å; Q217-D222 PolarHBondContact NE2-OD1 3.16Å
223Q97.3Very high97.3Very high27 Ų2776.9 Ų76.913%0.12640%0.398CS..  trans-103.739.5-177-58-60.5-73.900112.2W216 R218 E221 Q225 D226 T227 V246 Y256W216-Q223 HydrophobicContact CB-CB 4.27Å; W216-Q223 PolarHBondContact O-N 3.41Å; R218-Q223 HydrophobicContact CB-CG 3.94Å; E221-Q223 PolarHBondContact O-NE2 3.43Å; Q223-Q225 VanDerWaalsContact C-N 3.29Å; Q223-Q225 PolarHBondContact O-N 2.95Å; Q223-D226 PolarHBondContact O-N 2.84Å; Q223-D226 VanDerWaalsContact O-N 3.13Å; Q223-T227 WeakPolarHBondContact O-CB 3.26Å; Q223-T227 PolarHBondContact O-N 2.86Å; Q223-T227 PolarHBondContact O-OG1 3.22Å; Q223-V246 HydrophobicContact CB-CG1 4.41Å; Q223-Y256 HydrophobicContact CG-CE1 4.44Å
224T94.7Very high97.3Very high108 Ų10878.7 Ų78.766%0.66341%0.41SS*.THydrogen-bonded Turntrans-58.3-35.7-169.6-52.60000114
225Q95.4Very high97.2Very high190 Ų19080.6 Ų80.689%0.88843%0.428SS*.THydrogen-bonded Turntrans-76.2-29.6-179.7-66.7-173.9-4.200113Q223Q223-Q225 VanDerWaalsContact C-N 3.29Å; Q223-Q225 PolarHBondContact O-N 2.95Å
226D94.5Very high97Very high113 Ų11382.3 Ų82.360%0.60445%0.453SS*.THydrogen-bonded Turntrans-96.9-1.1-176.9-56.3-57.3000112.6Q223Q223-D226 PolarHBondContact O-N 2.84Å; Q223-D226 VanDerWaalsContact O-N 3.13Å
227T97.8Very high96.8Very high24 Ų2487.1 Ų87.115%0.14748%0.479CS..EExtended strand (participates in β ladder)trans-91.6119.3179.8-62.40000110.6Q223 L229 A244 A245 V246Q223-T227 WeakPolarHBondContact O-CB 3.26Å; Q223-T227 PolarHBondContact O-N 2.86Å; Q223-T227 PolarHBondContact O-OG1 3.22Å; T227-L229 HydrophobicContact CG2-CB 4.37Å; T227-L229 PolarHBondContact O-N 3.34Å; T227-A244 HydrophobicContact CG2-CB 3.9Å; T227-A245 CarbonylContact C-O 3.55Å; T227-A245 WeakPolarHBondContact CA-O 3.33Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.42Å
228E98.1Very high96.6Very high116 Ų11687 Ų8754%0.54249%0.489SS..EExtended strand (participates in β ladder)trans-76.2110.6162.7-172.5-175-171.200108.8W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.15Å; E228-W243 HydrophobicContact CG-CH2 3.82Å; E228-W243 HydrophobicContact CG-CZ3 3.81Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.31Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.44Å; E228-A244 CarbonylContact O-C 3.57Å; E228-A244 WeakPolarHBondContact O-CA 3.42Å; E228-A245 HydrophobicContact CB-CB 4.46Å; E228-A245 PolarHBondContact N-O 3.13Å; E228-A245 PolarHBondContact O-N 3.07Å
229L97.9Very high96.6Very high89 Ų8984.3 Ų84.347%0.46648%0.48SS..EExtended strand (participates in β ladder)trans-117.4119.4-179.3-173.268.9000110L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.24Å; T227-L229 HydrophobicContact CG2-CB 4.37Å; T227-L229 PolarHBondContact O-N 3.34Å; L229-K242 HydrophobicContact CD1-CD 4.45Å; L229-A244 HydrophobicContact CD1-CB 3.63Å
230V97.9Very high96.7Very high32 Ų3280.9 Ų80.919%0.19446%0.461CS..PPolyproline II helixtrans-82.6153.5175-65.70000112.1K242 W243V230-K242 HydrophobicContact CG2-CG 4.39Å; V230-K242 WeakPolarHBondContact O-CE 3.35Å; V230-K242 PolarHBondContact O-NZ 2.95Å; 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 3.66Å; 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 4.47Å; V230-W243 WeakPolarHBondContact CG2-O 3.13Å; V230-W243 PolarHBondContact N-O 3.39Å
231E97.8Very high96.9Very high172 Ų17280.8 Ų80.880%0.80445%0.448SS*.PPolyproline II helixtrans-56.4146.3166.7-68.1-173.2171.400111R233E231-R233 PolarHBondContact O-N 3.13Å
232T98.5Very high96.9Very high46 Ų4674.8 Ų74.828%0.28242%0.42SS..PPolyproline II helixtrans-66.6127.8172.6-57.20000108.2F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.04Å; F207-T232 HydrophobicContact CZ-CG2 3.81Å; A210-T232 HydrophobicContact CB-CG2 4.35Å; T232-F240 HydrophobicContact CG2-CB 3.8Å; T232-F240 HydrophobicContact CG2-CD1 3.9Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; T232-K242 WeakPolarHBondContact OG1-CD 3.39Å; T232-K242 PolarHBondContact OG1-NZ 2.85Å; T232-K242 VanDerWaalsContact OG1-NZ 3.13Å
233R98.1Very high97Very high95 Ų9571.6 Ų71.636%0.35840%0.401SS..EExtended strand (participates in β ladder)trans-126.2144.9-173.367.9-169.1-178.7-170.92.5111.4E231 F240 Q241E231-R233 PolarHBondContact O-N 3.13Å; R233-F240 WeakPolarHBondContact O-CA 3.47Å; R233-Q241 HydrophobicContact CG-CG 3.58Å; R233-Q241 PolarHBondContact N-O 3.26Å; R233-Q241 WeakPolarHBondContact O-CG 3.04Å; R233-Q241 PolarHBondContact O-N 3.3Å
234P97.8Very high97Very high93 Ų9370.3 Ų70.360%0.60440%0.395SS*.EExtended strand (participates in β ladder)trans-68.5145178.728.8-34.8000111.1F240P234-F240 HydrophobicContact CB-CE1 4.37Å
235A97.2Very high97.2Very high48 Ų4865.3 Ų65.340%0.39736%0.364SS..  trans-88.4-16.6172.900000113T239A235-T239 PolarHBondContact N-O 2.89Å
236G94.7Very high97.3Very high76 Ų7656.4 Ų56.478%0.78432%0.323SS*.SBendtrans96-7.7179.200000114.9
237D93.8Very high97.5Very high103 Ų10354.8 Ų54.855%0.55132%0.317SS*.SBendtrans-105.313.217762.1-0.6000113T239D237-T239 WeakPolarHBondContact OD1-CB 3.49Å; D237-T239 PolarHBondContact OD1-N 3.41Å; D237-T239 PolarHBondContact OD1-OG1 2.84Å
238G93.3Very high97.5Very high40 Ų4053.6 Ų53.641%0.41231%0.31SS..SBendtrans85.45.3-173.800000114.3Y208Y208-G238 WeakPolarHBondContact CD2-O 3.18Å
239T97.7Very high97.4Very high13 Ų1350.2 Ų50.28%0.0830%0.298CS..  trans-109172.7171.673.40000112.2S206 F207 A235 D237S206-T239 WeakPolarHBondContact CA-OG1 3.23Å; F207-T239 CarbonylContact O-C 3.58Å; F207-T239 WeakPolarHBondContact O-CA 3.36Å; A235-T239 PolarHBondContact N-O 2.89Å; D237-T239 WeakPolarHBondContact OD1-CB 3.49Å; D237-T239 PolarHBondContact OD1-N 3.41Å; D237-T239 PolarHBondContact OD1-OG1 2.84Å
240F98.6Very high97.3Very high28 Ų2848.6 Ų48.612%0.12329%0.294CS..EExtended strand (participates in β ladder)trans-120.1162.1-178.2-64-86.6000112.3D29 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 3.43Å; F207-F240 VanDerWaalsContact CD1-O 3.26Å; F207-F240 WeakPolarHBondContact CD1-O 3.49Å; F207-F240 HydrophobicContact CD2-CB 3.93Å; F207-F240 HydrophobicContact CE1-CB 4.17Å; F207-F240 WeakPolarHBondContact CE1-O 3.34Å; 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 3.58Å; F207-F240 PolarHBondContact N-O 2.84Å; F207-F240 PolarHBondContact O-N 3.37Å; Y208-F240 HydrophobicContact CD2-CD2 4.44Å; Y208-F240 HydrophobicContact CD2-CE2 4Å; 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 3.8Å; T232-F240 HydrophobicContact CG2-CD1 3.9Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; R233-F240 WeakPolarHBondContact O-CA 3.47Å; P234-F240 HydrophobicContact CB-CE1 4.37Å
241Q98.6Very high97.1Very high44 Ų4450.3 Ų50.321%0.20632%0.319CS..EExtended strand (participates in β ladder)trans-140.2147173.746167.9-2700110.1A204 L205 R233A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.46Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å; R233-Q241 HydrophobicContact CG-CG 3.58Å; R233-Q241 PolarHBondContact N-O 3.26Å; R233-Q241 WeakPolarHBondContact O-CG 3.04Å; R233-Q241 PolarHBondContact O-N 3.3Å
242K98.8Very high97.1Very high21 Ų2144.9 Ų44.99%0.09129%0.293CS..EExtended strand (participates in β ladder)trans-151.3154.4176.9-161.7-176.2-171.568.90109.1A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 3.09Å; A204-K242 PolarHBondContact O-N 2.85Å; A204-K242 VanDerWaalsContact O-O 3.1Å; F207-K242 HydrophobicContact CE1-CB 4.32Å; F207-K242 HydrophobicContact CZ-CB 4.14Å; I212-K242 HydrophobicContact CG2-CB 4.29Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; L214-K242 HydrophobicContact CD1-CD 4.25Å; L214-K242 HydrophobicContact CD2-CB 4.32Å; L214-K242 HydrophobicContact CD2-CG 4.39Å; L229-K242 HydrophobicContact CD1-CD 4.45Å; V230-K242 HydrophobicContact CG2-CG 4.39Å; V230-K242 WeakPolarHBondContact O-CE 3.35Å; V230-K242 PolarHBondContact O-NZ 2.95Å; T232-K242 WeakPolarHBondContact OG1-CD 3.39Å; T232-K242 PolarHBondContact OG1-NZ 2.85Å; T232-K242 VanDerWaalsContact OG1-NZ 3.13Å
243W98.6Very high96.9Very high25 Ų2543.6 Ų43.610%0.09528%0.284CS..EExtended strand (participates in β ladder)trans-142.9156.2168.159.6-98.2000111.4R201 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 3.57Å; C202-W243 WeakPolarHBondContact O-CA 3.48Å; C202-W243 VanDerWaalsContact O-CB 3.25Å; C202-W243 WeakPolarHBondContact O-CB 3.44Å; W203-W243 HydrophobicContact CD2-CB 3.88Å; W203-W243 HydrophobicContact CD2-CG 4.42Å; W203-W243 HydrophobicContact CE3-CB 3.81Å; W203-W243 AromaticContact CE3-CD1 3.86Å; W203-W243 HydrophobicContact CE3-CG 4.16Å; W203-W243 HydrophobicContact CG-CB 4.35Å; W203-W243 AromaticContact CH2-CD1 3.5Å; W203-W243 HydrophobicContact CH2-CG 4.16Å; W203-W243 AromaticContact CH2-NE1 3.96Å; W203-W243 HydrophobicContact CZ2-CG 4.41Å; W203-W243 HydrophobicContact CZ3-CB 4.2Å; W203-W243 AromaticContact CZ3-CD1 3.34Å; W203-W243 HydrophobicContact CZ3-CG 4.04Å; E228-W243 HydrophobicContact CB-CZ3 4.15Å; E228-W243 HydrophobicContact CG-CH2 3.82Å; E228-W243 HydrophobicContact CG-CZ3 3.81Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.31Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.44Å; 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 3.66Å; 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 4.47Å; V230-W243 WeakPolarHBondContact CG2-O 3.13Å; V230-W243 PolarHBondContact N-O 3.39Å; W243-A245 HydrophobicContact CE3-CB 3.92Å; W243-A245 HydrophobicContact CZ3-CB 3.64Å
244A98.5Very high96.9Very high0 Ų044.2 Ų44.20%029%0.291CS..EExtended strand (participates in β ladder)trans-129133.6173.200000108.5R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.47Å; C202-A244 PolarHBondContact N-O 3.26Å; C202-A244 PolarHBondContact O-N 2.91Å; L214-A244 HydrophobicContact CB-CB 3.99Å; L214-A244 HydrophobicContact CD2-CB 4.3Å; W216-A244 PolarHBondContact NE1-O 2.83Å; T227-A244 HydrophobicContact CG2-CB 3.9Å; E228-A244 CarbonylContact O-C 3.57Å; E228-A244 WeakPolarHBondContact O-CA 3.42Å; L229-A244 HydrophobicContact CD1-CB 3.63Å
245A98.4Very high96.9Very high3 Ų344.4 Ų44.43%0.02528%0.28CS..EExtended strand (participates in β ladder)trans-127.9146.9-179.900000112.2T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.91Å; L200-A245 CarbonylContact O-C 3.51Å; L200-A245 WeakPolarHBondContact O-CA 3.42Å; R201-A245 HydrophobicContact CB-CB 3.94Å; R201-A245 HydrophobicContact CG-CB 4.12Å; T227-A245 CarbonylContact C-O 3.55Å; T227-A245 WeakPolarHBondContact CA-O 3.33Å; E228-A245 HydrophobicContact CB-CB 4.46Å; E228-A245 PolarHBondContact N-O 3.13Å; E228-A245 PolarHBondContact O-N 3.07Å; W243-A245 HydrophobicContact CE3-CB 3.92Å; W243-A245 HydrophobicContact CZ3-CB 3.64Å
246V98.1Very high96.9Very high3 Ų342.5 Ų42.52%0.01826%0.262CS..EExtended strand (participates in β ladder)trans-132.1144.8173.1-72.90000109.2T199 L200 W216 Q223 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.37Å; L200-V246 HydrophobicContact CB-CG2 4.24Å; L200-V246 PolarHBondContact N-O 3.39Å; L200-V246 PolarHBondContact O-N 3.48Å; W216-V246 HydrophobicContact CB-CG1 3.7Å; W216-V246 HydrophobicContact CB-CG2 4.47Å; 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 4.4Å; W216-V246 HydrophobicContact CG-CG1 3.62Å; W216-V246 HydrophobicContact CG-CG2 3.86Å; 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 WeakPolarHBondContact OG1-CG1 3.42Å; V246-V248 HydrophobicContact CB-CG1 4.39Å; V246-V248 HydrophobicContact CG2-CG1 3.77Å; V246-Y256 HydrophobicContact CG2-CD1 4.12Å
247V97.9Very high97.1Very high79 Ų7939.3 Ų39.348%0.47923%0.227SC..EExtended strand (participates in β ladder)trans-87.2127168.4-178.50000107.7E197 A198E197-V247 HydrophobicContact CB-CG1 3.98Å; E197-V247 HydrophobicContact CG-CG1 4.22Å; A198-V247 WeakPolarHBondContact O-CA 3.38Å
248V97.4Very high97.3Very high0 Ų034.4 Ų34.40%020%0.201CC..EExtended strand (participates in β ladder)trans-125.4145.5-175.7-520000110.4E197 A198 L200 V246 E253 Y256E197-V248 VanDerWaalsContact CA-O 3.32Å; E197-V248 WeakPolarHBondContact CA-O 3.33Å; A198-V248 HydrophobicContact CB-CG2 4.47Å; A198-V248 PolarHBondContact N-O 3.07Å; A198-V248 WeakPolarHBondContact O-CG2 3.42Å; A198-V248 PolarHBondContact O-N 3.03Å; L200-V248 HydrophobicContact CD1-CG1 3.98Å; L200-V248 HydrophobicContact CD1-CG2 3.97Å; L200-V248 HydrophobicContact CG-CG1 4.16Å; L200-V248 HydrophobicContact CG-CG2 3.81Å; V246-V248 HydrophobicContact CB-CG1 4.39Å; V246-V248 HydrophobicContact CG2-CG1 3.77Å; V248-E253 HydrophobicContact CG2-CG 4.01Å; V248-Y256 HydrophobicContact CB-CD2 3.97Å; V248-Y256 HydrophobicContact CB-CE2 3.63Å; V248-Y256 HydrophobicContact CG1-CD1 3.79Å; V248-Y256 HydrophobicContact CG1-CD2 3.56Å; V248-Y256 HydrophobicContact CG1-CE1 3.72Å; V248-Y256 HydrophobicContact CG1-CE2 3.5Å; V248-Y256 VanDerWaalsContact CG1-CE2 3.5Å; V248-Y256 HydrophobicContact CG1-CG 3.7Å
249P97.1Very high97.5Very high44 Ų4434.1 Ų34.129%0.28619%0.189SC..EExtended strand (participates in β ladder)trans-64138.4171.2-20.332.3000111.1H196 G251 Q252H196-P249 CarbonylContact O-C 3.57Å; H196-P249 VanDerWaalsContact O-CA 3.31Å; H196-P249 WeakPolarHBondContact O-CA 3.43Å; P249-G251 PolarHBondContact O-N 3.38Å; P249-Q252 HydrophobicContact CB-CB 4.38Å; P249-Q252 HydrophobicContact CB-CG 4.14Å; P249-Q252 WeakPolarHBondContact O-CB 3.44Å; P249-Q252 PolarHBondContact O-N 3.45Å
250S94.5Very high97.6Very high55 Ų5533.5 Ų33.539%0.38519%0.185SC..THydrogen-bonded Turntrans-56.3131.8176.6-60.50000111.2H196 E197 Q252 E253H196-S250 PolarHBondContact O-N 2.88Å; H196-S250 PolarHBondContact O-OG 2.86Å; E197-S250 PolarHBondContact N-OG 2.8Å; S250-Q252 VanDerWaalsContact C-N 3.33Å; S250-E253 WeakPolarHBondContact CA-OE1 3.41Å
251G94.3Very high97.6Very high69 Ų6937.2 Ų37.271%0.71120%0.203SC*.THydrogen-bonded Turntrans85-1.5-176.400000114.8P249 E253P249-G251 PolarHBondContact O-N 3.38Å; G251-E253 WeakPolarHBondContact CA-OE2 3.41Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.12Å; G251-E253 PolarHBondContact N-OE2 2.88Å
252Q96.6Very high97.6Very high58 Ų5835.9 Ų35.927%0.27120%0.197SC..  trans-106.17175.2-61.2-168.836.500113.4P249 S250 Q254 R255 Y256P249-Q252 HydrophobicContact CB-CB 4.38Å; P249-Q252 HydrophobicContact CB-CG 4.14Å; P249-Q252 WeakPolarHBondContact O-CB 3.44Å; P249-Q252 PolarHBondContact O-N 3.45Å; S250-Q252 VanDerWaalsContact C-N 3.33Å; Q252-Q254 PolarHBondContact O-N 3.24Å; Q252-Q254 VanDerWaalsContact O-N 3.16Å; Q252-R255 WeakPolarHBondContact O-CB 3.24Å; Q252-R255 PolarHBondContact O-N 3.13Å; Q252-Y256 HydrophobicContact CB-CE2 4.4Å; Q252-Y256 VanDerWaalsContact O-CD2 3.3Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.42Å
253E96.1Very high97.5Very high18 Ų1841.9 Ų41.98%0.08423%0.225CC..G310 helixtrans-56.3-37.9-173-58.979.6-175.600112L200 V248 S250 G251 R255 Y256 W273L200-E253 HydrophobicContact CD1-CB 4.11Å; L200-E253 HydrophobicContact CD1-CG 4.45Å; L200-E253 HydrophobicContact CD2-CB 4.48Å; L200-E253 HydrophobicContact CD2-CG 4.24Å; V248-E253 HydrophobicContact CG2-CG 4.01Å; S250-E253 WeakPolarHBondContact CA-OE1 3.41Å; G251-E253 WeakPolarHBondContact CA-OE2 3.41Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.12Å; G251-E253 PolarHBondContact N-OE2 2.88Å; E253-R255 PolarHBondContact O-N 3.03Å; E253-Y256 PolarHBondContact O-N 2.81Å; E253-W273 HydrophobicContact CB-CD2 4.47Å; E253-W273 HydrophobicContact CB-CE3 3.58Å; E253-W273 HydrophobicContact CB-CZ3 4.16Å; E253-W273 HydrophobicContact CG-CE3 3.73Å; E253-W273 HydrophobicContact CG-CZ3 3.96Å
254Q96.3Very high97.3Very high108 Ų10841.7 Ų41.751%0.50523%0.231SC..G310 helixtrans-67.6-16.7-179.3-64.8-57.8-43.500114.5Q252 W273Q252-Q254 PolarHBondContact O-N 3.24Å; Q252-Q254 VanDerWaalsContact O-N 3.16Å; Q254-W273 PolarHBondContact NE2-O 3.01Å
255R97.6Very high97.3Very high98 Ų9843 Ų4337%0.3724%0.238SC..G310 helixtrans-76.3-16.9173.9-64175.265.8179.35.8112.1R218 D219 Q252 E253R218-R255 WeakPolarHBondContact CA-O 3.36Å; R218-R255 HydrophobicContact CG-CB 4.45Å; D219-R255 PolarHBondContact N-O 3.25Å; D219-R255 WeakPolarHBondContact OD1-CB 3.47Å; D219-R255 WeakPolarHBondContact OD1-CG 3.44Å; D219-R255 IonicContact OD1-NE 3.18Å; D219-R255 PolarHBondContact OD1-NE 3.34Å; D219-R255 IonicContact OD2-CZ 3.1Å; D219-R255 IonicContact OD2-NE 2.84Å; D219-R255 PolarHBondContact OD2-NE 3.42Å; D219-R255 IonicContact OD2-NH2 2.61Å; D219-R255 PolarHBondContact OD2-NH2 2.97Å; Q252-R255 WeakPolarHBondContact O-CB 3.24Å; Q252-R255 PolarHBondContact O-N 3.13Å; E253-R255 PolarHBondContact O-N 3.03Å
256Y98.1Very high97.2Very high8 Ų849.1 Ų49.13%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-98132.8-177.2-66.3-97.6000111.1Q217 R218 Q223 V246 V248 Q252 E253Q217-Y256 CarbonylContact O-C 3.58Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.24Å; R218-Y256 HydrophobicContact CB-CD1 3.99Å; R218-Y256 HydrophobicContact CB-CE1 3.76Å; R218-Y256 WeakPolarHBondContact CD-OH 3.43Å; R218-Y256 HydrophobicContact CG-CD1 4.34Å; R218-Y256 HydrophobicContact CG-CE1 3.9Å; R218-Y256 HydrophobicContact CG-CE2 4.21Å; R218-Y256 PolarHBondContact NH1-OH 3.35Å; Q223-Y256 HydrophobicContact CG-CE1 4.44Å; V246-Y256 HydrophobicContact CG2-CD1 4.12Å; V248-Y256 HydrophobicContact CB-CD2 3.97Å; V248-Y256 HydrophobicContact CB-CE2 3.63Å; V248-Y256 HydrophobicContact CG1-CD1 3.79Å; V248-Y256 HydrophobicContact CG1-CD2 3.56Å; V248-Y256 HydrophobicContact CG1-CE1 3.72Å; V248-Y256 HydrophobicContact CG1-CE2 3.5Å; V248-Y256 VanDerWaalsContact CG1-CE2 3.5Å; V248-Y256 HydrophobicContact CG1-CG 3.7Å; Q252-Y256 HydrophobicContact CB-CE2 4.4Å; Q252-Y256 VanDerWaalsContact O-CD2 3.3Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.42Å; E253-Y256 PolarHBondContact O-N 2.81Å
257T98.3Very high97.2Very high8 Ų856.3 Ų56.35%0.04931%0.308CS..EExtended strand (participates in β ladder)trans-124.9132.3174.943.80000110.5W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.4Å; Q217-T257 PolarHBondContact N-O 2.89Å; Q217-T257 PolarHBondContact O-N 2.99Å; T257-H259 WeakPolarHBondContact CB-NE2 3.27Å; T257-H259 PolarHBondContact O-CD2 3.14Å; T257-H259 PolarHBondContact OG1-NE2 2.98Å; T257-T270 HydrophobicContact CG2-CG2 3.75Å; T257-L271 CarbonylContact C-O 3.57Å; T257-L271 VanDerWaalsContact CA-O 3.29Å; T257-L271 WeakPolarHBondContact CA-O 3.37Å; T257-R272 HydrophobicContact CG2-CG 3.52Å
258C98.5Very high97.2Very high0 Ų056.2 Ų56.20%031%0.309CS..EExtended strand (participates in β ladder)trans-90.3131.5167.3175.10000109.6C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.47Å; C202-C258 VanDerWaalsContact CB-CB 3.47Å; C202-C258 WeakPolarHBondContact CB-SG 3.06Å; C202-C258 WeakPolarHBondContact SG-CB 3.21Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 2.83Å; T215-C258 CarbonylContact O-C 3.56Å; T215-C258 WeakPolarHBondContact O-CA 3.22Å; W216-C258 HydrophobicContact CD2-CB 4.19Å; W216-C258 HydrophobicContact CE3-CB 4.16Å; W216-C258 HydrophobicContact CH2-CB 4.05Å; W216-C258 HydrophobicContact CZ2-CB 4.06Å; W216-C258 HydrophobicContact CZ3-CB 4.08Å; C258-T270 CarbonylContact O-C 3.54Å; C258-T270 WeakPolarHBondContact O-CA 3.43Å; C258-L271 HydrophobicContact CB-CB 4.27Å; C258-L271 PolarHBondContact N-O 3.07Å; C258-L271 PolarHBondContact O-N 3.06Å
259H98.4Very high97.2Very high35 Ų3558.7 Ų58.716%0.16232%0.322CS..EExtended strand (participates in β ladder)trans-111.3129.9176.7-64.2-109.7000109.6L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.37Å; T215-H259 PolarHBondContact N-O 3.12Å; T215-H259 PolarHBondContact O-N 3.1Å; Q217-H259 PolarHBondContact OE1-CE1 3.17Å; Q217-H259 PolarHBondContact OE1-NE2 3.44Å; T257-H259 WeakPolarHBondContact CB-NE2 3.27Å; T257-H259 PolarHBondContact O-CD2 3.14Å; T257-H259 PolarHBondContact OG1-NE2 2.98Å; H259-L269 VanDerWaalsContact CA-O 3.31Å; H259-L269 WeakPolarHBondContact CA-O 3.3Å; H259-T270 PolarHBondContact ND1-OG1 3.26Å
260V98.6Very high97.2Very high0 Ų060.5 Ų60.50%033%0.333CS..EExtended strand (participates in β ladder)trans-123.2122.9-178.2-173.90000109.4P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.94Å; 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 4.06Å; I212-V260 HydrophobicContact CG1-CG1 4.36Å; T213-V260 WeakPolarHBondContact O-CA 3.38Å; L214-V260 HydrophobicContact CD1-CG1 4.15Å; L214-V260 HydrophobicContact CG-CG2 4.37Å; V260-L265 HydrophobicContact CG1-CD1 4.19Å; V260-P268 WeakPolarHBondContact O-CA 2.83Å; V260-L269 HydrophobicContact CB-CB 4.34Å; V260-L269 PolarHBondContact N-O 3.11Å; V260-L269 PolarHBondContact O-N 3.27Å; V260-L271 HydrophobicContact CG2-CD1 4.06Å
261Q98.6Very high97.3Very high105 Ų10559.6 Ų59.649%0.49132%0.324SS..EExtended strand (participates in β ladder)trans-119.2131.3173.5-54.5-179.50.300109.5I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.28Å; I212-Q261 WeakPolarHBondContact CG1-O 3.34Å; T213-Q261 PolarHBondContact N-O 3.33Å; T213-Q261 PolarHBondContact O-N 2.7Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.13Å
262H98.4Very high97.4Very high17 Ų1763.8 Ų63.88%0.07932%0.318CS..  trans-156.8146179.6-177.2-98.2000108.3D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 2.96Å; P184-H262 HydrophobicContact CG-CB 3.99Å; F207-H262 AromaticContact CD2-CD2 3.82Å; F207-H262 AromaticContact CD2-NE2 3.73Å; Y208-H262 PolarHBondContact O-CE1 2.86Å; P209-H262 PolarHBondContact O-NE2 3.14Å; E211-H262 PolarHBondContact O-CD2 3.32Å; E211-H262 VanDerWaalsContact O-CD2 3.26Å; I212-H262 HydrophobicContact CD1-CB 4.4Å; I212-H262 HydrophobicContact CG1-CB 4.14Å; H262-G264 PolarHBondContact ND1-N 2.68Å; H262-G264 PolarHBondContact O-N 3.14Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.18Å; H262-L265 WeakPolarHBondContact O-CB 3.49Å; H262-L265 PolarHBondContact O-N 3.19Å
263E96.3Very high97Very high146 Ų14668.1 Ų68.168%0.68233%0.332SS*.THydrogen-bonded Turntrans-58.9-32.3-178.1-176.4172.6173.700112.7T181 L265T181-E263 HydrophobicContact CG2-CB 4.15Å; T181-E263 HydrophobicContact CG2-CG 4.3Å; E263-L265 PolarHBondContact O-N 3.16Å
264G96Very high97.1Very high22 Ų2270.7 Ų70.723%0.22734%0.344CS..THydrogen-bonded Turntrans-72.3-7.6177.100000114.8H262H262-G264 PolarHBondContact ND1-N 2.68Å; H262-G264 PolarHBondContact O-N 3.14Å
265L97.9Very high97.1Very high26 Ų2668.7 Ų68.714%0.13634%0.336CS..  trans-94.7126.2176.9-67.1170.1000109.9A183 P184 V260 H262 E263 K267 L269A183-L265 HydrophobicContact CB-CD2 4.02Å; P184-L265 HydrophobicContact CG-CD1 3.88Å; P184-L265 HydrophobicContact CG-CD2 4.44Å; P184-L265 HydrophobicContact CG-CG 4.2Å; V260-L265 HydrophobicContact CG1-CD1 4.19Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.18Å; H262-L265 WeakPolarHBondContact O-CB 3.49Å; H262-L265 PolarHBondContact O-N 3.19Å; E263-L265 PolarHBondContact O-N 3.16Å; L265-K267 WeakPolarHBondContact CB-O 3.46Å; L265-K267 PolarHBondContact O-N 3.3Å; L265-L269 HydrophobicContact CD1-CD1 4.05Å; L265-L269 HydrophobicContact CD1-CG 3.91Å; L265-L269 HydrophobicContact CD2-CD1 3.74Å; L265-L269 HydrophobicContact CD2-CD2 4.43Å; L265-L269 HydrophobicContact CD2-CG 3.95Å
266P96.8Very high97.1Very high133 Ų13367.1 Ų67.186%0.86433%0.334SS*.SBendtrans-65.7-21.5177.127.2-34.9000112.7
267K97.1Very high97Very high153 Ų15370.5 Ų70.567%0.66535%0.352SS*.SBendtrans-151.9150.3172.956.3-179.9178.1177.30109.3L265L265-K267 WeakPolarHBondContact CB-O 3.46Å; L265-K267 PolarHBondContact O-N 3.3Å
268P97.7Very high97Very high77 Ų7774.4 Ų74.450%0.537%0.371SS..  trans-52.3143.5173.3-27.436000112.1V260 Q261V260-P268 WeakPolarHBondContact O-CA 2.83Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.13Å
269L98Very high96.9Very high52 Ų5279.4 Ų79.427%0.27240%0.395SS..EExtended strand (participates in β ladder)trans-93.8141.9174.3-61.2178.5000110T186 H259 V260 L265T186-L269 HydrophobicContact CG2-CD1 4.25Å; H259-L269 VanDerWaalsContact CA-O 3.31Å; H259-L269 WeakPolarHBondContact CA-O 3.3Å; V260-L269 HydrophobicContact CB-CB 4.34Å; V260-L269 PolarHBondContact N-O 3.11Å; V260-L269 PolarHBondContact O-N 3.27Å; L265-L269 HydrophobicContact CD1-CD1 4.05Å; L265-L269 HydrophobicContact CD1-CG 3.91Å; L265-L269 HydrophobicContact CD2-CD1 3.74Å; L265-L269 HydrophobicContact CD2-CD2 4.43Å; L265-L269 HydrophobicContact CD2-CG 3.95Å
270T98Very high96.7Very high83 Ų8382.6 Ų82.651%0.50941%0.412SS..EExtended strand (participates in β ladder)trans-118.9122.7168.3-58.40000108T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.75Å; C258-T270 CarbonylContact O-C 3.54Å; C258-T270 WeakPolarHBondContact O-CA 3.43Å; H259-T270 PolarHBondContact ND1-OG1 3.26Å
271L96.7Very high96.6Very high36 Ų3688.9 Ų88.919%0.18844%0.444CS..EExtended strand (participates in β ladder)trans-117.5143.6-175.9-58.8159.5000109.4T186 M188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.19Å; M188-L271 HydrophobicContact CG-CB 4.34Å; M188-L271 HydrophobicContact SD-CB 3.74Å; T257-L271 CarbonylContact C-O 3.57Å; T257-L271 VanDerWaalsContact CA-O 3.29Å; T257-L271 WeakPolarHBondContact CA-O 3.37Å; C258-L271 HydrophobicContact CB-CB 4.27Å; C258-L271 PolarHBondContact N-O 3.07Å; C258-L271 PolarHBondContact O-N 3.06Å; V260-L271 HydrophobicContact CG2-CD1 4.06Å
272R94.6Very high96.4Very high157 Ų15787.6 Ų87.659%0.59244%0.44SS*.  trans-129.2158.6169.7-69.3-173.2177.1138.43.4108.7T257T257-R272 HydrophobicContact CG2-CG 3.52Å
273W89.7Confident96.2Very high149 Ų14994 Ų9456%0.56447%0.473SS*.  trans-71.30173.2-17956.6000110.7M188 H190 L200 E253 Q254M188-W273 VanDerWaalsContact CE-CA 3.49Å; M188-W273 HydrophobicContact CE-CB 3.53Å; H190-W273 HydrophobicContact CB-CD2 4.29Å; H190-W273 HydrophobicContact CB-CG 4.33Å; H190-W273 HydrophobicContact CB-CZ2 4.15Å; H190-W273 VanDerWaalsContact CB-NE1 3.31Å; H190-W273 AromaticContact CD2-CE2 4Å; H190-W273 AromaticContact CG-CE2 3.82Å; H190-W273 AromaticContact CG-CZ2 3.88Å; H190-W273 AromaticContact CG-NE1 4Å; L200-W273 HydrophobicContact CD2-CB 4.07Å; L200-W273 HydrophobicContact CD2-CG 4.13Å; E253-W273 HydrophobicContact CB-CD2 4.47Å; E253-W273 HydrophobicContact CB-CE3 3.58Å; E253-W273 HydrophobicContact CB-CZ3 4.16Å; E253-W273 HydrophobicContact CG-CE3 3.73Å; E253-W273 HydrophobicContact CG-CZ3 3.96Å; Q254-W273 PolarHBondContact NE2-O 3.01Å

Retrieved 273 of 273 residues in 79.3 ms (Link to these results)

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