A0A088SX10_HUMAN Loading...

Truncated MHC class I antigen

AlphaFold DB , UniProt , Accession A0A088SX10, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 154 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
1S93.6Very high98.1Very high101 Ų10149.8 Ų49.871%0.70626%0.26SS*.  0149.6042.90000107.1V102S1-V102 CarbonylContact C-O 3.6Å; S1-V102 WeakPolarHBondContact CA-O 3.23Å; S1-V102 VanDerWaalsContact CB-O 3.31Å; S1-V102 WeakPolarHBondContact CB-O 3.4Å
2H98.1Very high98.1Very high107 Ų10747.3 Ų47.350%0.49525%0.25SC..EExtended strand (participates in β ladder)trans-134.6166.9179.1-65.7-77.3000109.7D28 D101 V102H2-D28 WeakPolarHBondContact CA-OD1 3.47Å; H2-D28 WeakPolarHBondContact CB-OD1 3.47Å; H2-D28 IonicContact CE1-OD2 3.58Å; H2-D28 IonicContact CG-OD1 2.7Å; H2-D28 IonicContact CG-OD2 3.55Å; H2-D28 IonicContact ND1-OD1 3.74Å; H2-D28 IonicContact ND1-OD2 3.67Å; H2-D28 PolarHBondContact ND1-OD2 2.98Å; H2-D101 WeakPolarHBondContact O-CA 3.39Å; H2-V102 HydrophobicContact CB-CG2 3.85Å; H2-V102 PolarHBondContact N-O 2.93Å; H2-V102 WeakPolarHBondContact O-CG2 3.32Å; H2-V102 PolarHBondContact O-N 2.93Å
3S98.5Very high97.8Very high16 Ų1648.8 Ų48.811%0.11225%0.25CC..EExtended strand (participates in β ladder)trans-142.8155.5177.763.90000112.4R5 V27 D28 C100 D101S3-R5 PolarHBondContact OG-NH1 2.82Å; S3-V27 CarbonylContact O-C 3.52Å; S3-V27 WeakPolarHBondContact O-CA 3.35Å; S3-D28 PolarHBondContact N-OD1 3.13Å; S3-D28 PolarHBondContact O-N 3.13Å; S3-C100 VanDerWaalsContact CA-O 3.26Å; S3-C100 WeakPolarHBondContact CA-O 3.48Å; S3-D101 WeakPolarHBondContact CB-OD1 3.45Å
4M98.6Very high97.3Very high73 Ų7349.1 Ų49.136%0.3626%0.257SS..EExtended strand (participates in β ladder)trans-133.4128.4171.1-175.4174.765.600108.5Y6 Y26 V27 G99 C100M4-Y6 HydrophobicContact CE-CE2 4.22Å; M4-Y6 HydrophobicContact CG-CE2 4.04Å; M4-Y6 HydrophobicContact SD-CE2 3.97Å; M4-Y26 CarbonylContact C-O 3.47Å; M4-Y26 VanDerWaalsContact CA-O 3.29Å; M4-Y26 WeakPolarHBondContact CA-O 3.41Å; M4-V27 HydrophobicContact CG-CG2 4.41Å; M4-G99 CarbonylContact O-C 3.55Å; M4-G99 WeakPolarHBondContact O-CA 3.35Å; M4-C100 PolarHBondContact N-O 2.85Å; M4-C100 PolarHBondContact O-N 2.85Å
5R98.8Very high96.6Very high61 Ų6152 Ų5223%0.2330%0.303CS..EExtended strand (participates in β ladder)trans-136.1136.3-178.2-67.7-178.4177.473.413.1110.8S3 F7 G25 Y26 D101S3-R5 PolarHBondContact OG-NH1 2.82Å; R5-F7 HydrophobicContact CB-CD2 4.4Å; R5-F7 HydrophobicContact CB-CE2 3.62Å; R5-F7 HydrophobicContact CB-CZ 4Å; R5-G25 CarbonylContact O-C 3.55Å; R5-G25 WeakPolarHBondContact O-CA 3.44Å; R5-Y26 PolarHBondContact N-O 2.93Å; R5-Y26 PolarHBondContact O-N 3.26Å; R5-D101 IonicContact CZ-OD1 2.66Å; R5-D101 IonicContact NH1-OD1 2.74Å; R5-D101 IonicContact NH2-OD1 2.82Å; R5-D101 PolarHBondContact NH2-OD1 2.66Å; R5-D101 IonicContact NH2-OD2 3.05Å
6Y98.8Very high96Very high25 Ų2562.1 Ų62.110%0.09833%0.334CS..EExtended strand (participates in β ladder)trans-114.1134.9169.1-72.4-91.9000108.8M4 Y8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.22Å; M4-Y6 HydrophobicContact CG-CE2 4.04Å; M4-Y6 HydrophobicContact SD-CE2 3.97Å; Y6-Y8 HydrophobicContact CD1-CE1 4.08Å; Y6-Y8 HydrophobicContact CG-CE1 4.35Å; Y6-V24 CarbonylContact C-O 3.54Å; Y6-V24 WeakPolarHBondContact CA-O 3.34Å; Y6-F32 HydrophobicContact CE1-CZ 4.31Å; Y6-F32 AromaticContact CZ-CZ 3.84Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.37Å; Y6-V33 HydrophobicContact CE1-CG2 3.88Å; Y6-M97 WeakPolarHBondContact O-CA 3.44Å; Y6-M97 WeakPolarHBondContact O-CB 3.34Å; Y6-Y98 VanDerWaalsContact CB-CE1 3.44Å; Y6-Y98 HydrophobicContact CD2-CD2 4.37Å; Y6-Y98 HydrophobicContact CD2-CE1 4.37Å; Y6-Y98 AromaticContact CD2-CE2 3.59Å; Y6-Y98 HydrophobicContact CD2-CE2 3.59Å; Y6-Y98 AromaticContact CD2-CZ 3.61Å; Y6-Y98 HydrophobicContact CE2-CE2 4.25Å; Y6-Y98 HydrophobicContact CG-CE1 4.03Å; Y6-Y98 HydrophobicContact CG-CE2 4.09Å; Y6-Y98 AromaticContact CG-CZ 3.63Å; Y6-Y98 PolarHBondContact N-O 3.01Å; Y6-Y98 PolarHBondContact O-N 3.01Å; Y6-Y98 VanDerWaalsContact O-N 3.14Å
7F98.8Very high95.5Very high81 Ų8162 Ų6236%0.35535%0.351SS..EExtended strand (participates in β ladder)trans-122116.2177.2-58.6-94.6000109.1R5 V24 Y26 M97R5-F7 HydrophobicContact CB-CD2 4.4Å; R5-F7 HydrophobicContact CB-CE2 3.62Å; R5-F7 HydrophobicContact CB-CZ 4Å; F7-V24 HydrophobicContact CB-CG2 3.8Å; F7-V24 HydrophobicContact CD2-CG2 4.32Å; F7-V24 PolarHBondContact N-O 3.39Å; F7-V24 PolarHBondContact O-N 3.07Å; F7-Y26 AromaticContact CD2-CD2 3.93Å; F7-Y26 HydrophobicContact CD2-CD2 3.93Å; F7-Y26 HydrophobicContact CD2-CE2 4.18Å; F7-Y26 AromaticContact CE2-CD2 3.94Å; F7-Y26 HydrophobicContact CE2-CD2 3.94Å; F7-Y26 HydrophobicContact CE2-CE2 4.39Å; F7-M97 HydrophobicContact CD1-CB 3.78Å; F7-M97 HydrophobicContact CE1-CB 4.09Å; F7-M97 HydrophobicContact CG-CB 4.49Å
8Y98.8Very high95.2Very high7 Ų763.1 Ų63.13%0.02735%0.353CS..EExtended strand (participates in β ladder)trans-108.6142.3-180-67.59.2000109.3Y6 F21 I22 S23 N69 Q95 W96 Y98Y6-Y8 HydrophobicContact CD1-CE1 4.08Å; Y6-Y8 HydrophobicContact CG-CE1 4.35Å; Y8-F21 HydrophobicContact CD1-CZ 4.45Å; Y8-F21 AromaticContact CD2-CE2 3.82Å; Y8-F21 HydrophobicContact CD2-CE2 3.82Å; Y8-F21 AromaticContact CD2-CZ 3.5Å; Y8-F21 HydrophobicContact CD2-CZ 3.5Å; Y8-F21 VanDerWaalsContact CD2-CZ 3.5Å; Y8-F21 HydrophobicContact CE2-CZ 4.05Å; Y8-F21 HydrophobicContact CG-CE2 4.07Å; Y8-F21 AromaticContact CG-CZ 3.79Å; Y8-F21 HydrophobicContact CG-CZ 3.79Å; Y8-I22 CarbonylContact C-O 3.55Å; Y8-I22 VanDerWaalsContact CA-O 3.32Å; Y8-I22 WeakPolarHBondContact CA-O 3.22Å; Y8-S23 VanDerWaalsContact CD1-CB 3.47Å; Y8-S23 WeakPolarHBondContact CD1-OG 3.11Å; Y8-S23 VanDerWaalsContact CE1-CB 3.43Å; Y8-S23 WeakPolarHBondContact CE1-OG 3.33Å; Y8-N69 HydrophobicContact CE2-CB 4.48Å; Y8-N69 VanDerWaalsContact CE2-ND2 3.32Å; Y8-N69 WeakPolarHBondContact CE2-ND2 3.46Å; Y8-Q95 WeakPolarHBondContact O-CA 3.34Å; Y8-W96 HydrophobicContact CD2-CD2 4.1Å; Y8-W96 AromaticContact CD2-CE2 3.27Å; Y8-W96 AromaticContact CD2-CH2 3.61Å; Y8-W96 HydrophobicContact CD2-CH2 3.61Å; Y8-W96 AromaticContact CD2-CZ2 3.02Å; Y8-W96 HydrophobicContact CD2-CZ2 3.02Å; Y8-W96 HydrophobicContact CD2-CZ3 4.36Å; Y8-W96 AromaticContact CD2-NE1 3.68Å; Y8-W96 AromaticContact CE2-CH2 3.49Å; Y8-W96 HydrophobicContact CE2-CH2 3.49Å; Y8-W96 VanDerWaalsContact CE2-CH2 3.49Å; Y8-W96 AromaticContact CE2-CZ2 3.34Å; Y8-W96 HydrophobicContact CE2-CZ2 3.34Å; Y8-W96 HydrophobicContact CE2-CZ3 4.37Å; Y8-W96 HydrophobicContact CG-CD2 4.41Å; Y8-W96 AromaticContact CG-CE2 3.93Å; Y8-W96 HydrophobicContact CG-CZ2 4.07Å; Y8-W96 PolarHBondContact N-O 2.88Å; Y8-W96 PolarHBondContact O-N 2.88Å; Y8-Y98 HydrophobicContact CE1-CE1 4.07Å; Y8-Y98 HydrophobicContact CE2-CE1 4.03Å; Y8-Y98 AromaticContact CZ-CE1 3.67Å; Y8-Y98 PolarHBondContact OH-OH 2.84Å
9T98.8Very high95.2Very high33 Ų3360.6 Ų60.620%0.20234%0.34CS..EExtended strand (participates in β ladder)trans-140.9122.1-179.6-59.40000109V11 F21 I22 T93 L94 Q95T9-V11 HydrophobicContact CG2-CG2 4Å; T9-F21 CarbonylContact O-C 3.46Å; T9-F21 WeakPolarHBondContact O-CA 3Å; T9-I22 PolarHBondContact N-O 2.82Å; T9-I22 PolarHBondContact O-N 2.79Å; T9-T93 HydrophobicContact CG2-CG2 4.06Å; T9-L94 WeakPolarHBondContact CA-O 3.44Å; T9-Q95 HydrophobicContact CG2-CG 3.91Å
10A98.6Very high95.3Very high1 Ų161.9 Ų61.91%0.00834%0.339CS..EExtended strand (participates in β ladder)trans-116.2124.7173.400000110R20 F21 D73 L77 T93 L94A10-R20 CarbonylContact C-O 3.5Å; A10-R20 VanDerWaalsContact CA-O 3.25Å; A10-R20 WeakPolarHBondContact CA-O 3.19Å; A10-F21 HydrophobicContact CB-CD2 4.36Å; A10-D73 HydrophobicContact CB-CB 3.57Å; A10-L77 HydrophobicContact CB-CD1 3.9Å; A10-T93 WeakPolarHBondContact O-CA 3.48Å; A10-L94 HydrophobicContact CB-CB 4.46Å; A10-L94 PolarHBondContact N-O 3.34Å; A10-L94 PolarHBondContact O-N 3.48Å
11V98.3Very high95.5Very high43 Ų4359 Ų5926%0.26132%0.323SS..EExtended strand (participates in β ladder)trans-118.2116.9-178.7-173.50000109.4T9 P19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 4Å; V11-P19 CarbonylContact O-C 3.48Å; V11-P19 WeakPolarHBondContact O-CA 3.28Å; V11-P19 WeakPolarHBondContact O-CB 3.26Å; V11-R20 PolarHBondContact N-O 3.49Å; V11-R20 PolarHBondContact O-N 3.37Å; V11-H92 WeakPolarHBondContact CA-O 3.42Å; V11-T93 HydrophobicContact CG2-CG2 4.25Å
12S97.3Very high95.7Very high20 Ų2055.9 Ų55.914%0.1430%0.298CS..  trans-70.7143.8175.7760000110.9S91 H92S12-S91 WeakPolarHBondContact O-CB 3.49Å; S12-S91 PolarHBondContact O-OG 2.94Å; S12-H92 PolarHBondContact N-O 2.78Å; S12-H92 PolarHBondContact OG-N 3.31Å; S12-H92 PolarHBondContact OG-O 3Å
13R94.8Very high95.8Very high67 Ų6750.8 Ų50.825%0.25328%0.275SS..  trans-13176.3-175.3-58.7-177-76.5-163.2-11.8111.2G15 R16 E18 D38R13-G15 PolarHBondContact O-N 2.91Å; R13-R16 HydrophobicContact CB-CB 4.03Å; R13-R16 PolarHBondContact O-N 2.99Å; R13-E18 VanDerWaalsContact CZ-O 3.22Å; R13-E18 PolarHBondContact NE-O 3.36Å; R13-E18 PolarHBondContact NH2-O 3.45Å; R13-D38 IonicContact CZ-OD1 2.94Å; R13-D38 IonicContact CZ-OD2 2.85Å; R13-D38 VanDerWaalsContact NH1-CG 3.28Å; R13-D38 IonicContact NH1-OD1 2.68Å; R13-D38 PolarHBondContact NH1-OD1 3.08Å; R13-D38 VanDerWaalsContact NH1-OD1 3.08Å; R13-D38 IonicContact NH1-OD2 3.08Å; R13-D38 PolarHBondContact NH1-OD2 2.86Å; R13-D38 IonicContact NH2-OD1 2.89Å; R13-D38 PolarHBondContact NH2-OD1 3.26Å; R13-D38 IonicContact NH2-OD2 3.3Å
14P90.4Very high95.8Very high53 Ų5351 Ų5134%0.34428%0.275SS..THydrogen-bonded Turntrans-50.2128.7179.5-26.233.7000112R16 E88 G90P14-R16 PolarHBondContact O-N 2.65Å; P14-E88 WeakPolarHBondContact CB-O 3.42Å; P14-E88 WeakPolarHBondContact CG-O 3.11Å; P14-G90 WeakPolarHBondContact CG-O 3.45Å
15G87.4Confident95.8Very high92 Ų9247.6 Ų47.695%0.94826%0.258SS*.THydrogen-bonded Turntrans71.43.4-179.100000115.9R13R13-G15 PolarHBondContact O-N 2.91Å
16R86.4Confident95.8Very high214 Ų21448 Ų4881%0.80826%0.261SS*.SBendtrans-126.220-178.7-57-176.5-179.5-147.50.1113.6R13 P14R13-R16 HydrophobicContact CB-CB 4.03Å; R13-R16 PolarHBondContact O-N 2.99Å; P14-R16 PolarHBondContact O-N 2.65Å
17G86.8Confident95.8Very high60 Ų6049 Ų4962%0.61927%0.269SS*.  trans94.9-147.8173.500000114.2
18E91.4Very high95.8Very high81 Ų8147.8 Ų47.838%0.37927%0.266SS..SBendtrans-67.9152.2-176.4-65.1-57.8154.200112.5R13 R74R13-E18 VanDerWaalsContact CZ-O 3.22Å; R13-E18 PolarHBondContact NE-O 3.36Å; R13-E18 PolarHBondContact NH2-O 3.45Å; E18-R74 IonicContact OE1-CZ 3.25Å; E18-R74 IonicContact OE1-NE 3.28Å; E18-R74 IonicContact OE1-NH1 3.65Å; E18-R74 PolarHBondContact OE1-NH1 2.81Å; E18-R74 IonicContact OE1-NH2 3.93Å; E18-R74 PolarHBondContact OE1-NH2 3.1Å; E18-R74 WeakPolarHBondContact OE2-CD 3.3Å; E18-R74 IonicContact OE2-CZ 2.83Å; E18-R74 IonicContact OE2-NE 2.7Å; E18-R74 PolarHBondContact OE2-NE 3.3Å; E18-R74 IonicContact OE2-NH1 3.4Å; E18-R74 PolarHBondContact OE2-NH1 3.49Å; E18-R74 VanDerWaalsContact OE2-NH1 3.08Å; E18-R74 IonicContact OE2-NH2 3.78Å; E18-R74 PolarHBondContact OE2-NH2 3.26Å
19P94.9Very high95.7Very high17 Ų1755.1 Ų55.111%0.1131%0.306CS..PPolyproline II helixtrans-53.9144.1169.6-24.335.1000111.6V11 R74 L77V11-P19 CarbonylContact O-C 3.48Å; V11-P19 WeakPolarHBondContact O-CA 3.28Å; V11-P19 WeakPolarHBondContact O-CB 3.26Å; P19-R74 HydrophobicContact CG-CB 4.09Å; P19-R74 HydrophobicContact CG-CG 4.07Å; P19-L77 HydrophobicContact CB-CD1 3.77Å; P19-L77 HydrophobicContact CG-CD1 3.87Å
20R97.8Very high95.7Very high86 Ų8657.1 Ų57.133%0.32532%0.318SS..EExtended strand (participates in β ladder)trans-81.1128.9168.7-175.8180-176.9-177.7-2.4108.3A10 V11 I22 D36 S37 D38A10-R20 CarbonylContact C-O 3.5Å; A10-R20 VanDerWaalsContact CA-O 3.25Å; A10-R20 WeakPolarHBondContact CA-O 3.19Å; V11-R20 PolarHBondContact N-O 3.49Å; V11-R20 PolarHBondContact O-N 3.37Å; R20-I22 HydrophobicContact CG-CG1 4.27Å; R20-D36 IonicContact CZ-OD1 3.59Å; R20-D36 IonicContact CZ-OD2 3.38Å; R20-D36 IonicContact NE-OD1 2.82Å; R20-D36 PolarHBondContact NE-OD1 2.61Å; R20-D36 IonicContact NE-OD2 3.08Å; R20-D36 IonicContact NH2-OD1 3.69Å; R20-D36 PolarHBondContact NH2-OD1 3.13Å; R20-D36 IonicContact NH2-OD2 2.79Å; R20-D36 PolarHBondContact NH2-OD2 3.04Å; R20-S37 WeakPolarHBondContact CA-OG 3.19Å; R20-D38 VanDerWaalsContact CD-OD2 3.25Å; R20-D38 WeakPolarHBondContact CD-OD2 3.31Å; R20-D38 HydrophobicContact CG-CB 4.39Å; R20-D38 IonicContact NE-OD2 3.86Å
21F98.6Very high95.7Very high2 Ų259.7 Ų59.71%0.00933%0.33CS..EExtended strand (participates in β ladder)trans-113.2131.7174.2175.7-92.3000110.2Y8 T9 A10 F35 S37 C66 N69 T70 D73Y8-F21 HydrophobicContact CD1-CZ 4.45Å; Y8-F21 AromaticContact CD2-CE2 3.82Å; Y8-F21 HydrophobicContact CD2-CE2 3.82Å; Y8-F21 AromaticContact CD2-CZ 3.5Å; Y8-F21 HydrophobicContact CD2-CZ 3.5Å; Y8-F21 VanDerWaalsContact CD2-CZ 3.5Å; Y8-F21 HydrophobicContact CE2-CZ 4.05Å; Y8-F21 HydrophobicContact CG-CE2 4.07Å; Y8-F21 AromaticContact CG-CZ 3.79Å; Y8-F21 HydrophobicContact CG-CZ 3.79Å; T9-F21 CarbonylContact O-C 3.46Å; T9-F21 WeakPolarHBondContact O-CA 3Å; A10-F21 HydrophobicContact CB-CD2 4.36Å; F21-F35 AromaticContact CD1-CD1 3.72Å; F21-F35 HydrophobicContact CD1-CD1 3.72Å; F21-F35 AromaticContact CD1-CE1 3.81Å; F21-F35 HydrophobicContact CD1-CE1 3.81Å; F21-F35 AromaticContact CE1-CD1 3.96Å; F21-F35 HydrophobicContact CE1-CD1 3.96Å; F21-F35 HydrophobicContact CE1-CE1 4.34Å; F21-S37 PolarHBondContact N-OG 3.03Å; F21-S37 PolarHBondContact O-N 2.76Å; F21-S37 PolarHBondContact O-OG 3.45Å; F21-C66 HydrophobicContact CE1-CB 4.13Å; F21-N69 HydrophobicContact CE1-CB 4.47Å; F21-N69 HydrophobicContact CE2-CB 3.99Å; F21-N69 HydrophobicContact CZ-CB 3.78Å; F21-T70 HydrophobicContact CB-CG2 3.91Å; F21-T70 WeakPolarHBondContact CB-OG1 3.42Å; F21-T70 VanDerWaalsContact CD1-OG1 3.32Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.48Å; F21-T70 WeakPolarHBondContact CG-OG1 3.39Å; F21-D73 HydrophobicContact CD2-CB 4.48Å; F21-D73 WeakPolarHBondContact CD2-OD2 3.13Å; F21-D73 VanDerWaalsContact CE2-OD2 3.23Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.49Å
22I98.8Very high95.7Very high35 Ų3557.9 Ų57.918%0.17932%0.319CS..EExtended strand (participates in β ladder)trans-127.9133.3176-57.4174.8000107.8Y8 T9 R20 V24 F35Y8-I22 CarbonylContact C-O 3.55Å; Y8-I22 VanDerWaalsContact CA-O 3.32Å; Y8-I22 WeakPolarHBondContact CA-O 3.22Å; T9-I22 PolarHBondContact N-O 2.82Å; T9-I22 PolarHBondContact O-N 2.79Å; R20-I22 HydrophobicContact CG-CG1 4.27Å; I22-V24 HydrophobicContact CG2-CG1 4.31Å; I22-F35 WeakPolarHBondContact CA-O 3.33Å
23S98.7Very high95.8Very high0 Ų057 Ų570%031%0.312CS..EExtended strand (participates in β ladder)trans-119.1137.9168.2157.30000108.9Y8 R34 F35Y8-S23 VanDerWaalsContact CD1-CB 3.47Å; Y8-S23 WeakPolarHBondContact CD1-OG 3.11Å; Y8-S23 VanDerWaalsContact CE1-CB 3.43Å; Y8-S23 WeakPolarHBondContact CE1-OG 3.33Å; S23-R34 CarbonylContact O-C 3.59Å; S23-R34 VanDerWaalsContact O-CA 3.3Å; S23-R34 WeakPolarHBondContact O-CA 3.29Å; S23-F35 PolarHBondContact N-O 3.43Å; S23-F35 PolarHBondContact O-N 3.43Å
24V98.9Very high96Very high21 Ų2156.9 Ų56.913%0.12731%0.312CS..EExtended strand (participates in β ladder)trans-133.8134.5169.1-65.30000109.9Y6 F7 I22 Y26 R34Y6-V24 CarbonylContact C-O 3.54Å; Y6-V24 WeakPolarHBondContact CA-O 3.34Å; F7-V24 HydrophobicContact CB-CG2 3.8Å; F7-V24 HydrophobicContact CD2-CG2 4.32Å; F7-V24 PolarHBondContact N-O 3.39Å; F7-V24 PolarHBondContact O-N 3.07Å; I22-V24 HydrophobicContact CG2-CG1 4.31Å; V24-Y26 HydrophobicContact CB-CE2 4.12Å; V24-Y26 HydrophobicContact CG2-CE2 3.81Å; V24-R34 HydrophobicContact CG1-CB 4.44Å; V24-R34 HydrophobicContact CG1-CG 4.09Å
25G98.8Very high96.4Very high0 Ų054.5 Ų54.50%030%0.296CS..EExtended strand (participates in β ladder)trans-113139.1177.500000111.6R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.55Å; R5-G25 WeakPolarHBondContact O-CA 3.44Å; G25-Q31 CarbonylContact O-C 3.59Å; G25-Q31 WeakPolarHBondContact O-CA 3.42Å; G25-Q31 WeakPolarHBondContact O-CG 3.41Å; G25-F32 VanDerWaalsContact C-CE1 3.47Å; G25-F32 WeakPolarHBondContact O-CD1 3.38Å; G25-F32 PolarHBondContact O-N 3.3Å; G25-V33 PolarHBondContact N-O 3.38Å; G25-V33 PolarHBondContact O-N 2.86Å
26Y98.9Very high96.9Very high71 Ų7151.3 Ų51.328%0.27826%0.257SS..EExtended strand (participates in β ladder)trans-124.5138.2178-71.7-99.4000110.5M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.47Å; M4-Y26 VanDerWaalsContact CA-O 3.29Å; M4-Y26 WeakPolarHBondContact CA-O 3.41Å; R5-Y26 PolarHBondContact N-O 2.93Å; R5-Y26 PolarHBondContact O-N 3.26Å; F7-Y26 AromaticContact CD2-CD2 3.93Å; F7-Y26 HydrophobicContact CD2-CD2 3.93Å; F7-Y26 HydrophobicContact CD2-CE2 4.18Å; F7-Y26 AromaticContact CE2-CD2 3.94Å; F7-Y26 HydrophobicContact CE2-CD2 3.94Å; F7-Y26 HydrophobicContact CE2-CE2 4.39Å; V24-Y26 HydrophobicContact CB-CE2 4.12Å; V24-Y26 HydrophobicContact CG2-CE2 3.81Å; Y26-T30 WeakPolarHBondContact CA-O 3.25Å; Y26-Q31 HydrophobicContact CD1-CB 4Å; Y26-Q31 VanDerWaalsContact CD1-N 3.34Å; Y26-Q31 HydrophobicContact CE1-CB 3.57Å; Y26-Q31 HydrophobicContact CE1-CG 4.3Å; Y26-Q31 HydrophobicContact CE2-CB 4.41Å; Y26-Q31 HydrophobicContact CE2-CG 4.26Å
27V98.7Very high97.5Very high46 Ų4642.4 Ų42.428%0.27923%0.228SC..EExtended strand (participates in β ladder)trans-110.8121.9158.4173.60000106.2S3 M4 D29 T30 F32 W50S3-V27 CarbonylContact O-C 3.52Å; S3-V27 WeakPolarHBondContact O-CA 3.35Å; M4-V27 HydrophobicContact CG-CG2 4.41Å; V27-D29 PolarHBondContact O-N 3.33Å; V27-T30 PolarHBondContact N-O 2.93Å; V27-T30 WeakPolarHBondContact O-CB 3.44Å; V27-T30 PolarHBondContact O-N 3.3Å; V27-F32 HydrophobicContact CG2-CD1 3.86Å; V27-F32 HydrophobicContact CG2-CE1 3.85Å; V27-F32 HydrophobicContact CG2-CG 4.38Å; V27-F32 HydrophobicContact CG2-CZ 4.36Å; V27-W50 HydrophobicContact CB-CH2 4.37Å; V27-W50 HydrophobicContact CB-CZ2 4.31Å; V27-W50 HydrophobicContact CG2-CH2 3.87Å; V27-W50 HydrophobicContact CG2-CZ2 4.31Å
28D98.1Very high97.9Very high55 Ų5543.1 Ų43.129%0.29422%0.217SC..THydrogen-bonded Turntrans48.6-126.8-164.6-58.4-34.6000110H2 S3 T30H2-D28 WeakPolarHBondContact CA-OD1 3.47Å; H2-D28 WeakPolarHBondContact CB-OD1 3.47Å; H2-D28 IonicContact CE1-OD2 3.58Å; H2-D28 IonicContact CG-OD1 2.7Å; H2-D28 IonicContact CG-OD2 3.55Å; H2-D28 IonicContact ND1-OD1 3.74Å; H2-D28 IonicContact ND1-OD2 3.67Å; H2-D28 PolarHBondContact ND1-OD2 2.98Å; S3-D28 PolarHBondContact N-OD1 3.13Å; S3-D28 PolarHBondContact O-N 3.13Å; D28-T30 VanDerWaalsContact C-N 3.34Å
29D97.5Very high98.2Very high161 Ų16141.2 Ų41.286%0.86122%0.216SC*.THydrogen-bonded Turntrans-92.98178.2-58.9-50.4000113.1V27V27-D29 PolarHBondContact O-N 3.33Å
30T98.6Very high98.3Very high75 Ų7546 Ų4646%0.4626%0.257SS..EExtended strand (participates in β ladder)trans-102115.5-176.4-57.30000111Y26 V27 D28 F32 A48Y26-T30 WeakPolarHBondContact CA-O 3.25Å; V27-T30 PolarHBondContact N-O 2.93Å; V27-T30 WeakPolarHBondContact O-CB 3.44Å; V27-T30 PolarHBondContact O-N 3.3Å; D28-T30 VanDerWaalsContact C-N 3.34Å; T30-F32 PolarHBondContact O-N 3.12Å; T30-A48 HydrophobicContact CG2-CB 4.32Å
31Q98.7Very high98.2Very high54 Ų5446 Ų4625%0.25227%0.27SS..EExtended strand (participates in β ladder)trans-65.5126.2169.9-169.4-178-5.900109.6G25 Y26 V33 R47G25-Q31 CarbonylContact O-C 3.59Å; G25-Q31 WeakPolarHBondContact O-CA 3.42Å; G25-Q31 WeakPolarHBondContact O-CG 3.41Å; Y26-Q31 HydrophobicContact CD1-CB 4Å; Y26-Q31 VanDerWaalsContact CD1-N 3.34Å; Y26-Q31 HydrophobicContact CE1-CB 3.57Å; Y26-Q31 HydrophobicContact CE1-CG 4.3Å; Y26-Q31 HydrophobicContact CE2-CB 4.41Å; Y26-Q31 HydrophobicContact CE2-CG 4.26Å; Q31-V33 PolarHBondContact NE2-O 2.85Å; Q31-R47 HydrophobicContact CG-CB 4.14Å; Q31-R47 HydrophobicContact CG-CG 4.31Å
32F98.8Very high98.1Very high6 Ų647.9 Ų47.93%0.02628%0.282CS..EExtended strand (participates in β ladder)trans-119.4-22.3-177.379.7-79.4000114.2Y6 G25 V27 T30 R47 A48 W50 I51Y6-F32 HydrophobicContact CE1-CZ 4.31Å; Y6-F32 AromaticContact CZ-CZ 3.84Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.37Å; G25-F32 VanDerWaalsContact C-CE1 3.47Å; G25-F32 WeakPolarHBondContact O-CD1 3.38Å; G25-F32 PolarHBondContact O-N 3.3Å; V27-F32 HydrophobicContact CG2-CD1 3.86Å; V27-F32 HydrophobicContact CG2-CE1 3.85Å; V27-F32 HydrophobicContact CG2-CG 4.38Å; V27-F32 HydrophobicContact CG2-CZ 4.36Å; T30-F32 PolarHBondContact O-N 3.12Å; F32-R47 PolarHBondContact O-N 2.83Å; F32-A48 HydrophobicContact CB-CB 4.24Å; F32-W50 HydrophobicContact CB-CH2 3.28Å; F32-W50 HydrophobicContact CB-CZ2 3.19Å; F32-W50 HydrophobicContact CB-CZ3 4.27Å; F32-W50 HydrophobicContact CD1-CH2 4.2Å; F32-W50 AromaticContact CD2-CH2 3.35Å; F32-W50 HydrophobicContact CD2-CH2 3.35Å; F32-W50 HydrophobicContact CD2-CZ2 4.21Å; F32-W50 AromaticContact CD2-CZ3 3.85Å; F32-W50 HydrophobicContact CD2-CZ3 3.85Å; F32-W50 HydrophobicContact CE2-CH2 4.18Å; F32-W50 AromaticContact CG-CH2 3.36Å; F32-W50 HydrophobicContact CG-CH2 3.36Å; F32-W50 AromaticContact CG-CZ2 3.81Å; F32-W50 HydrophobicContact CG-CZ2 3.81Å; F32-W50 HydrophobicContact CG-CZ3 4.29Å; F32-I51 HydrophobicContact CD2-CB 4.36Å; F32-I51 HydrophobicContact CD2-CD1 3.9Å; F32-I51 HydrophobicContact CD2-CG1 3.98Å; F32-I51 HydrophobicContact CE2-CD1 4.09Å; F32-I51 VanDerWaalsContact O-CG2 3.28Å; F32-I51 WeakPolarHBondContact O-CG2 3.47Å
33V98.8Very high98.1Very high1 Ų152.9 Ų52.91%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-140.8157.1175.6-68.90000112.6Y6 G25 Q31 E44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 3.88Å; G25-V33 PolarHBondContact N-O 3.38Å; G25-V33 PolarHBondContact O-N 2.86Å; Q31-V33 PolarHBondContact NE2-O 2.85Å; V33-E44 HydrophobicContact CB-CG 4.22Å; V33-E44 VanDerWaalsContact CB-OE1 3.27Å; V33-E44 WeakPolarHBondContact CB-OE1 3.24Å; V33-E44 HydrophobicContact CG1-CG 4.44Å; V33-E44 WeakPolarHBondContact CG2-OE1 3.41Å; V33-E45 VanDerWaalsContact CA-O 3.32Å; V33-E45 WeakPolarHBondContact CA-O 3.41Å; V33-I51 HydrophobicContact CG1-CG1 4.15Å; V33-W59 HydrophobicContact CG1-CH2 4.11Å; V33-W59 HydrophobicContact CG1-CZ3 3.99Å
34R98.8Very high98.1Very high65 Ų6553.4 Ų53.425%0.24530%0.301CS..EExtended strand (participates in β ladder)trans-151.2142174.2-179.9175.2172.887.34.6111.3S23 V24 D36 E44 E45 R47S23-R34 CarbonylContact O-C 3.59Å; S23-R34 VanDerWaalsContact O-CA 3.3Å; S23-R34 WeakPolarHBondContact O-CA 3.29Å; V24-R34 HydrophobicContact CG1-CB 4.44Å; V24-R34 HydrophobicContact CG1-CG 4.09Å; R34-D36 IonicContact CZ-OD2 3.85Å; R34-D36 IonicContact NH2-OD2 2.69Å; R34-D36 PolarHBondContact NH2-OD2 3.2Å; R34-E44 PolarHBondContact N-OE1 2.83Å; R34-E45 PolarHBondContact N-O 2.95Å; R34-E45 PolarHBondContact O-N 3.11Å; R34-R47 HydrophobicContact CB-CG 3.94Å
35F98.8Very high98.1Very high3 Ų354.9 Ų54.91%0.01331%0.307CS..EExtended strand (participates in β ladder)trans-124.6145.9162.6177.4-81.8000110.8F21 I22 S23 P42 R43 E44 T63 C66 K67F21-F35 AromaticContact CD1-CD1 3.72Å; F21-F35 HydrophobicContact CD1-CD1 3.72Å; F21-F35 AromaticContact CD1-CE1 3.81Å; F21-F35 HydrophobicContact CD1-CE1 3.81Å; F21-F35 AromaticContact CE1-CD1 3.96Å; F21-F35 HydrophobicContact CE1-CD1 3.96Å; F21-F35 HydrophobicContact CE1-CE1 4.34Å; I22-F35 WeakPolarHBondContact CA-O 3.33Å; S23-F35 PolarHBondContact N-O 3.43Å; S23-F35 PolarHBondContact O-N 3.43Å; F35-P42 HydrophobicContact CE2-CB 3.91Å; F35-P42 HydrophobicContact CZ-CB 3.68Å; F35-R43 VanDerWaalsContact CD2-C 3.41Å; F35-R43 WeakPolarHBondContact CD2-O 3.33Å; F35-E44 VanDerWaalsContact CB-OE2 3.31Å; F35-E44 WeakPolarHBondContact CB-OE2 3.11Å; F35-T63 HydrophobicContact CE2-CG2 4.45Å; F35-C66 HydrophobicContact CB-CB 4.05Å; F35-C66 HydrophobicContact CD1-CB 3.77Å; F35-C66 HydrophobicContact CD2-CB 3.48Å; F35-C66 VanDerWaalsContact CD2-CB 3.48Å; F35-C66 HydrophobicContact CE1-CB 4.02Å; F35-C66 HydrophobicContact CE2-CB 3.78Å; F35-C66 HydrophobicContact CG-CB 3.5Å; F35-C66 HydrophobicContact CZ-CB 4.04Å; F35-K67 HydrophobicContact CE2-CG 4.46Å; F35-K67 HydrophobicContact CZ-CG 4.29Å
36D98.6Very high98.1Very high25 Ų2556.9 Ų56.913%0.13432%0.32CS..EExtended strand (participates in β ladder)trans-140.3118.7174.3-160.2-33000109.8R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.59Å; R20-D36 IonicContact CZ-OD2 3.38Å; R20-D36 IonicContact NE-OD1 2.82Å; R20-D36 PolarHBondContact NE-OD1 2.61Å; R20-D36 IonicContact NE-OD2 3.08Å; R20-D36 IonicContact NH2-OD1 3.69Å; R20-D36 PolarHBondContact NH2-OD1 3.13Å; R20-D36 IonicContact NH2-OD2 2.79Å; R20-D36 PolarHBondContact NH2-OD2 3.04Å; R34-D36 IonicContact CZ-OD2 3.85Å; R34-D36 IonicContact NH2-OD2 2.69Å; R34-D36 PolarHBondContact NH2-OD2 3.2Å; D36-D38 PolarHBondContact O-N 2.85Å; D36-D38 PolarHBondContact OD1-N 2.98Å; D36-A39 WeakPolarHBondContact O-CB 3.28Å; D36-A39 PolarHBondContact O-N 2.95Å
37S98Very high98.1Very high27 Ų2758.7 Ų58.719%0.18933%0.326CS..THydrogen-bonded Turntrans-66.3-20.2-17870.50000113.3R20 F21 P42R20-S37 WeakPolarHBondContact CA-OG 3.19Å; F21-S37 PolarHBondContact N-OG 3.03Å; F21-S37 PolarHBondContact O-N 2.76Å; F21-S37 PolarHBondContact O-OG 3.45Å; S37-P42 WeakPolarHBondContact O-CG 3.48Å
38D96.8Very high98Very high74 Ų7456.8 Ų56.840%0.39632%0.315SS..THydrogen-bonded Turntrans-88.2-3.4179.7-79.46.2000112.9R13 R20 D36R13-D38 IonicContact CZ-OD1 2.94Å; R13-D38 IonicContact CZ-OD2 2.85Å; R13-D38 VanDerWaalsContact NH1-CG 3.28Å; R13-D38 IonicContact NH1-OD1 2.68Å; R13-D38 PolarHBondContact NH1-OD1 3.08Å; R13-D38 VanDerWaalsContact NH1-OD1 3.08Å; R13-D38 IonicContact NH1-OD2 3.08Å; R13-D38 PolarHBondContact NH1-OD2 2.86Å; R13-D38 IonicContact NH2-OD1 2.89Å; R13-D38 PolarHBondContact NH2-OD1 3.26Å; R13-D38 IonicContact NH2-OD2 3.3Å; R20-D38 VanDerWaalsContact CD-OD2 3.25Å; R20-D38 WeakPolarHBondContact CD-OD2 3.31Å; R20-D38 HydrophobicContact CG-CB 4.39Å; R20-D38 IonicContact NE-OD2 3.86Å; D36-D38 PolarHBondContact O-N 2.85Å; D36-D38 PolarHBondContact OD1-N 2.98Å
39A96.9Very high98Very high42 Ų4259.2 Ų59.235%0.34733%0.334SS..SBendtrans-62.4150.5174.400000110.9D36 S41 P42D36-A39 WeakPolarHBondContact O-CB 3.28Å; D36-A39 PolarHBondContact O-N 2.95Å; A39-S41 PolarHBondContact O-N 3.2Å; A39-P42 WeakPolarHBondContact O-CD 3.35Å; A39-P42 VanDerWaalsContact O-CG 3.25Å; A39-P42 WeakPolarHBondContact O-CG 3.47Å
40A96.3Very high98.1Very high117 Ų11756.8 Ų56.897%0.96731%0.313SS*.SBendtrans-60.3-29.8179.100000112.9
41S96.3Very high98Very high87 Ų8753.5 Ų53.561%0.60829%0.292SS*.SBendtrans-133.188.2170.7-174.30000108.4A39 R43A39-S41 PolarHBondContact O-N 3.2Å; S41-R43 PolarHBondContact O-N 3.33Å; S41-R43 VanDerWaalsContact O-N 3.12Å
42P97.4Very high98Very high40 Ų4057.1 Ų57.126%0.2631%0.309SS..  trans-63.6113.7-176-23.935.2000112F35 S37 A39F35-P42 HydrophobicContact CE2-CB 3.91Å; F35-P42 HydrophobicContact CZ-CB 3.68Å; S37-P42 WeakPolarHBondContact O-CG 3.48Å; A39-P42 WeakPolarHBondContact O-CD 3.35Å; A39-P42 VanDerWaalsContact O-CG 3.25Å; A39-P42 WeakPolarHBondContact O-CG 3.47Å
43R98.3Very high97.9Very high141 Ų14164.3 Ų64.353%0.53234%0.343SS..  trans-147.2158.1178.167.4-178.8-175.2158.52.9110.6F35 S41 E45 T63F35-R43 VanDerWaalsContact CD2-C 3.41Å; F35-R43 WeakPolarHBondContact CD2-O 3.33Å; S41-R43 PolarHBondContact O-N 3.33Å; S41-R43 VanDerWaalsContact O-N 3.12Å; R43-E45 HydrophobicContact CG-CG 3.83Å; R43-E45 IonicContact CZ-OE1 3.33Å; R43-E45 IonicContact NE-OE1 3.93Å; R43-E45 PolarHBondContact NE-OE1 3.36Å; R43-E45 IonicContact NH2-OE1 3.71Å; R43-T63 HydrophobicContact CB-CG2 4.23Å
44E98.4Very high97.9Very high10 Ų1067.9 Ų67.95%0.04736%0.359CS..  trans-70.1131.3168.4-162.971-14600108.3V33 R34 F35 W59 N62 T63 C66V33-E44 HydrophobicContact CB-CG 4.22Å; V33-E44 VanDerWaalsContact CB-OE1 3.27Å; V33-E44 WeakPolarHBondContact CB-OE1 3.24Å; V33-E44 HydrophobicContact CG1-CG 4.44Å; V33-E44 WeakPolarHBondContact CG2-OE1 3.41Å; R34-E44 PolarHBondContact N-OE1 2.83Å; F35-E44 VanDerWaalsContact CB-OE2 3.31Å; F35-E44 WeakPolarHBondContact CB-OE2 3.11Å; E44-W59 HydrophobicContact CB-CE3 4.14Å; E44-W59 HydrophobicContact CB-CZ3 4.44Å; E44-W59 HydrophobicContact CG-CE3 4.23Å; E44-W59 HydrophobicContact CG-CZ3 4.09Å; E44-N62 HydrophobicContact CB-CB 4.16Å; E44-N62 HydrophobicContact CG-CB 4.04Å; E44-T63 PolarHBondContact N-OG1 3.08Å; E44-C66 PolarHBondContact OE2-SG 2.97Å
45E98.4Very high97.9Very high52 Ų5266.5 Ų66.524%0.24337%0.366CS..EExtended strand (participates in β ladder)trans-123.9142.7-175.6-62.5-167.2146.700111.8V33 R34 R43 R47V33-E45 VanDerWaalsContact CA-O 3.32Å; V33-E45 WeakPolarHBondContact CA-O 3.41Å; R34-E45 PolarHBondContact N-O 2.95Å; R34-E45 PolarHBondContact O-N 3.11Å; R43-E45 HydrophobicContact CG-CG 3.83Å; R43-E45 IonicContact CZ-OE1 3.33Å; R43-E45 IonicContact NE-OE1 3.93Å; R43-E45 PolarHBondContact NE-OE1 3.36Å; R43-E45 IonicContact NH2-OE1 3.71Å; E45-R47 IonicContact OE2-CZ 3.54Å; E45-R47 IonicContact OE2-NH1 3.83Å; E45-R47 PolarHBondContact OE2-NH1 3.3Å; E45-R47 IonicContact OE2-NH2 3.93Å; E45-R47 PolarHBondContact OE2-NH2 3.36Å
46P98.4Very high97.8Very high42 Ų4271 Ų7127%0.27340%0.395SS..EExtended strand (participates in β ladder)trans-65.9144.7172.829-34.7000111.1I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.47Å; P46-I51 VanDerWaalsContact CB-CG2 3.47Å; P46-E52 HydrophobicContact CB-CG 3.89Å; P46-E52 HydrophobicContact CG-CG 4.08Å; P46-W59 HydrophobicContact CB-CH2 3.67Å; P46-W59 HydrophobicContact CB-CZ2 4.02Å; P46-W59 HydrophobicContact CG-CH2 4.21Å; P46-W59 HydrophobicContact CG-CZ2 4.36Å
47R98.6Very high97.8Very high110 Ų11077.7 Ų77.742%0.41543%0.426SS..  trans-127-0.5173.8-60.6-63.8177.8-132-4.3113.3Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.14Å; Q31-R47 HydrophobicContact CG-CG 4.31Å; F32-R47 PolarHBondContact O-N 2.83Å; R34-R47 HydrophobicContact CB-CG 3.94Å; E45-R47 IonicContact OE2-CZ 3.54Å; E45-R47 IonicContact OE2-NH1 3.83Å; E45-R47 PolarHBondContact OE2-NH1 3.3Å; E45-R47 IonicContact OE2-NH2 3.93Å; E45-R47 PolarHBondContact OE2-NH2 3.36Å
48A98.3Very high97.8Very high6 Ų678 Ų785%0.0542%0.423CS..SBendtrans-139.7146.417300000110.9T30 F32 W50 I51T30-A48 HydrophobicContact CG2-CB 4.32Å; F32-A48 HydrophobicContact CB-CB 4.24Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 HydrophobicContact CB-CD2 4.38Å; A48-W50 HydrophobicContact CB-CG 4.42Å; A48-W50 HydrophobicContact CB-CZ2 4.29Å; A48-W50 VanDerWaalsContact CB-NE1 3.33Å; A48-W50 PolarHBondContact O-N 3.11Å; A48-I51 WeakPolarHBondContact O-CG2 3.4Å; A48-I51 PolarHBondContact O-N 3.48Å
49P98.2Very high97.9Very high106 Ų10676.3 Ų76.369%0.68841%0.411SS*.G310 helixtrans-59.7-34.3-173.6-26.734.9000114.3I51 E52P49-I51 VanDerWaalsContact C-N 3.26Å; P49-I51 PolarHBondContact O-N 3.14Å; P49-E52 WeakPolarHBondContact O-CB 3.41Å; P49-E52 PolarHBondContact O-N 2.82Å
50W97.9Very high98Very high110 Ų11079.7 Ų79.742%0.41742%0.423SS..G310 helixtrans-69.6-20.8-175.654.6-102.4000113.6V27 F32 A48 Q53V27-W50 HydrophobicContact CB-CH2 4.37Å; V27-W50 HydrophobicContact CB-CZ2 4.31Å; V27-W50 HydrophobicContact CG2-CH2 3.87Å; V27-W50 HydrophobicContact CG2-CZ2 4.31Å; F32-W50 HydrophobicContact CB-CH2 3.28Å; F32-W50 HydrophobicContact CB-CZ2 3.19Å; F32-W50 HydrophobicContact CB-CZ3 4.27Å; F32-W50 HydrophobicContact CD1-CH2 4.2Å; F32-W50 AromaticContact CD2-CH2 3.35Å; F32-W50 HydrophobicContact CD2-CH2 3.35Å; F32-W50 HydrophobicContact CD2-CZ2 4.21Å; F32-W50 AromaticContact CD2-CZ3 3.85Å; F32-W50 HydrophobicContact CD2-CZ3 3.85Å; F32-W50 HydrophobicContact CE2-CH2 4.18Å; F32-W50 AromaticContact CG-CH2 3.36Å; F32-W50 HydrophobicContact CG-CH2 3.36Å; F32-W50 AromaticContact CG-CZ2 3.81Å; F32-W50 HydrophobicContact CG-CZ2 3.81Å; F32-W50 HydrophobicContact CG-CZ3 4.29Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 HydrophobicContact CB-CD2 4.38Å; A48-W50 HydrophobicContact CB-CG 4.42Å; A48-W50 HydrophobicContact CB-CZ2 4.29Å; A48-W50 VanDerWaalsContact CB-NE1 3.33Å; A48-W50 PolarHBondContact O-N 3.11Å; W50-Q53 VanDerWaalsContact O-CD 3.24Å; W50-Q53 VanDerWaalsContact O-CG 3.22Å; W50-Q53 WeakPolarHBondContact O-CG 3.37Å
51I98.2Very high98.1Very high5 Ų581.4 Ų81.43%0.02640%0.404CS..G310 helixtrans-83.7-16.4178.1-164.869.5000111.7F32 V33 P46 A48 P49 Q53 E54 Y58 W59F32-I51 HydrophobicContact CD2-CB 4.36Å; F32-I51 HydrophobicContact CD2-CD1 3.9Å; F32-I51 HydrophobicContact CD2-CG1 3.98Å; F32-I51 HydrophobicContact CE2-CD1 4.09Å; F32-I51 VanDerWaalsContact O-CG2 3.28Å; F32-I51 WeakPolarHBondContact O-CG2 3.47Å; V33-I51 HydrophobicContact CG1-CG1 4.15Å; P46-I51 HydrophobicContact CB-CG2 3.47Å; P46-I51 VanDerWaalsContact CB-CG2 3.47Å; A48-I51 WeakPolarHBondContact O-CG2 3.4Å; A48-I51 PolarHBondContact O-N 3.48Å; P49-I51 VanDerWaalsContact C-N 3.26Å; P49-I51 PolarHBondContact O-N 3.14Å; I51-Q53 PolarHBondContact O-N 2.74Å; I51-Q53 VanDerWaalsContact O-N 3.13Å; I51-E54 HydrophobicContact CD1-CG 3.62Å; I51-E54 HydrophobicContact CG1-CG 4.22Å; I51-E54 WeakPolarHBondContact O-CB 3.2Å; I51-E54 WeakPolarHBondContact O-CG 3.46Å; I51-E54 PolarHBondContact O-N 3.2Å; I51-E54 VanDerWaalsContact O-N 3.08Å; I51-Y58 HydrophobicContact CD1-CE1 4.27Å; I51-Y58 HydrophobicContact CG1-CE1 4.37Å; I51-W59 HydrophobicContact CB-CH2 4.48Å; I51-W59 HydrophobicContact CG1-CH2 3.72Å; I51-W59 HydrophobicContact CG1-CZ2 3.99Å; I51-W59 HydrophobicContact CG2-CH2 4.09Å; I51-W59 HydrophobicContact CG2-CZ2 4.47Å; I51-W59 WeakPolarHBondContact O-CZ2 3.4Å
52E96.9Very high98.2Very high130 Ų13078.4 Ų78.461%0.60738%0.382SS*.G310 helixtrans-65.3-16.9179.2-62.5-179.4-170.600113.2P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.89Å; P46-E52 HydrophobicContact CG-CG 4.08Å; P49-E52 WeakPolarHBondContact O-CB 3.41Å; P49-E52 PolarHBondContact O-N 2.82Å; E52-E54 PolarHBondContact O-N 2.82Å
53Q97.7Very high98.2Very high157 Ų15777.1 Ų77.173%0.73437%0.373SS*.G310 helixtrans-70.6-16.6174.877.2-170.612.500113.3W50 I51W50-Q53 VanDerWaalsContact O-CD 3.24Å; W50-Q53 VanDerWaalsContact O-CG 3.22Å; W50-Q53 WeakPolarHBondContact O-CG 3.37Å; I51-Q53 PolarHBondContact O-N 2.74Å; I51-Q53 VanDerWaalsContact O-N 3.13Å
54E98.4Very high98.3Very high76 Ų7675.6 Ų75.636%0.35537%0.372SS..SBendtrans-67.5138.2178.6-69.3-63.3158.500111.4I51 E52 Y58 W59I51-E54 HydrophobicContact CD1-CG 3.62Å; I51-E54 HydrophobicContact CG1-CG 4.22Å; I51-E54 WeakPolarHBondContact O-CB 3.2Å; I51-E54 WeakPolarHBondContact O-CG 3.46Å; I51-E54 PolarHBondContact O-N 3.2Å; I51-E54 VanDerWaalsContact O-N 3.08Å; E52-E54 PolarHBondContact O-N 2.82Å; E54-Y58 HydrophobicContact CB-CD1 3.8Å; E54-Y58 HydrophobicContact CB-CE1 4.45Å; E54-Y58 HydrophobicContact CB-CG 3.85Å; E54-Y58 HydrophobicContact CG-CD1 4.11Å; E54-Y58 HydrophobicContact CG-CD2 4.24Å; E54-Y58 HydrophobicContact CG-CE1 4.38Å; E54-Y58 HydrophobicContact CG-CE2 4.48Å; E54-Y58 HydrophobicContact CG-CG 4.06Å; E54-W59 HydrophobicContact CB-CZ2 4.37Å; E54-W59 PolarHBondContact O-NE1 3.37Å; E54-W59 VanDerWaalsContact O-NE1 3.07Å
55G98.1Very high98.2Very high37 Ų3778.6 Ų78.638%0.38139%0.388SS..  trans-72.5168.6-177.900000114.1E57 Y58 W59G55-E57 PolarHBondContact O-N 2.82Å; G55-Y58 WeakPolarHBondContact O-CB 3.41Å; G55-Y58 PolarHBondContact O-N 3.47Å; G55-Y58 VanDerWaalsContact O-N 3.07Å; G55-W59 VanDerWaalsContact O-CD1 3.23Å
56P97.9Very high98.2Very high96 Ų9676.2 Ų76.262%0.62338%0.377SS*.Hα-helixtrans-57.2-34-178.822.7-33.3000113.3Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 3.44Å; P56-W59 PolarHBondContact O-N 3.19Å; P56-W59 VanDerWaalsContact O-N 3.12Å; P56-D60 WeakPolarHBondContact O-CB 3.09Å; P56-D60 PolarHBondContact O-N 2.83Å
57E98.3Very high98.2Very high167 Ų16778.7 Ų78.778%0.7838%0.383SS*.Hα-helixtrans-59.5-36.5177.8-64.1179.6-178.200113G55 R61G55-E57 PolarHBondContact O-N 2.82Å; E57-R61 WeakPolarHBondContact O-CB 3.4Å; E57-R61 PolarHBondContact O-N 3.21Å
58Y98.4Very high98.2Very high34 Ų3476.9 Ų76.913%0.13338%0.384CS..Hα-helixtrans-63.8-48.8174.9173.5-88000110.4I51 E54 G55 P56 R61 N62I51-Y58 HydrophobicContact CD1-CE1 4.27Å; I51-Y58 HydrophobicContact CG1-CE1 4.37Å; E54-Y58 HydrophobicContact CB-CD1 3.8Å; E54-Y58 HydrophobicContact CB-CE1 4.45Å; E54-Y58 HydrophobicContact CB-CG 3.85Å; E54-Y58 HydrophobicContact CG-CD1 4.11Å; E54-Y58 HydrophobicContact CG-CD2 4.24Å; E54-Y58 HydrophobicContact CG-CE1 4.38Å; E54-Y58 HydrophobicContact CG-CE2 4.48Å; E54-Y58 HydrophobicContact CG-CG 4.06Å; G55-Y58 WeakPolarHBondContact O-CB 3.41Å; G55-Y58 PolarHBondContact O-N 3.47Å; G55-Y58 VanDerWaalsContact O-N 3.07Å; P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 3.44Å; Y58-R61 PolarHBondContact O-N 2.88Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.5Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.47Å; Y58-N62 VanDerWaalsContact CE2-ND2 3.26Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.5Å; Y58-N62 VanDerWaalsContact CZ-ND2 3.26Å; Y58-N62 WeakPolarHBondContact O-CB 3.44Å; Y58-N62 PolarHBondContact O-N 2.79Å; Y58-N62 PolarHBondContact O-ND2 2.9Å
59W98.6Very high98.1Very high38 Ų3877.9 Ų77.914%0.14439%0.389CS..Hα-helixtrans-66.5-42.4-177.2-63.3111.8000112.3V33 E44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.11Å; V33-W59 HydrophobicContact CG1-CZ3 3.99Å; E44-W59 HydrophobicContact CB-CE3 4.14Å; E44-W59 HydrophobicContact CB-CZ3 4.44Å; E44-W59 HydrophobicContact CG-CE3 4.23Å; E44-W59 HydrophobicContact CG-CZ3 4.09Å; P46-W59 HydrophobicContact CB-CH2 3.67Å; P46-W59 HydrophobicContact CB-CZ2 4.02Å; P46-W59 HydrophobicContact CG-CH2 4.21Å; P46-W59 HydrophobicContact CG-CZ2 4.36Å; I51-W59 HydrophobicContact CB-CH2 4.48Å; I51-W59 HydrophobicContact CG1-CH2 3.72Å; I51-W59 HydrophobicContact CG1-CZ2 3.99Å; I51-W59 HydrophobicContact CG2-CH2 4.09Å; I51-W59 HydrophobicContact CG2-CZ2 4.47Å; I51-W59 WeakPolarHBondContact O-CZ2 3.4Å; E54-W59 HydrophobicContact CB-CZ2 4.37Å; E54-W59 PolarHBondContact O-NE1 3.37Å; E54-W59 VanDerWaalsContact O-NE1 3.07Å; G55-W59 VanDerWaalsContact O-CD1 3.23Å; P56-W59 PolarHBondContact O-N 3.19Å; P56-W59 VanDerWaalsContact O-N 3.12Å; W59-T63 WeakPolarHBondContact O-CB 3.31Å; W59-T63 PolarHBondContact O-N 3.1Å; W59-T63 PolarHBondContact O-OG1 3.17Å
60D98.5Very high98.1Very high112 Ų11273.7 Ų73.760%0.59936%0.362SS*.Hα-helixtrans-65-45.1178-73.2-19.8000111.2P56 T63 Q64P56-D60 WeakPolarHBondContact O-CB 3.09Å; P56-D60 PolarHBondContact O-N 2.83Å; D60-T63 PolarHBondContact O-N 3.02Å; D60-Q64 WeakPolarHBondContact O-CB 3.24Å; D60-Q64 PolarHBondContact O-N 2.53Å
61R98.6Very high98Very high153 Ų15373.1 Ų73.158%0.57736%0.364SS*.Hα-helixtrans-61.5-50.9177.7-175.6-176.770.7-166.2-0.5111.8E57 Y58 T63 Q64 I65E57-R61 WeakPolarHBondContact O-CB 3.4Å; E57-R61 PolarHBondContact O-N 3.21Å; Y58-R61 PolarHBondContact O-N 2.88Å; R61-T63 VanDerWaalsContact C-N 3.35Å; R61-Q64 PolarHBondContact O-N 2.87Å; R61-I65 HydrophobicContact CG-CD1 4.2Å; R61-I65 WeakPolarHBondContact O-CG1 3.16Å; R61-I65 PolarHBondContact O-N 3.34Å
62N98.4Very high98Very high25 Ų2576 Ų7613%0.13438%0.382CS..Hα-helixtrans-67.1-37.8-178.4-72.9-66.5000111.7E44 Y58 Q64 I65 C66E44-N62 HydrophobicContact CB-CB 4.16Å; E44-N62 HydrophobicContact CG-CB 4.04Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.5Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.47Å; Y58-N62 VanDerWaalsContact CE2-ND2 3.26Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.5Å; Y58-N62 VanDerWaalsContact CZ-ND2 3.26Å; Y58-N62 WeakPolarHBondContact O-CB 3.44Å; Y58-N62 PolarHBondContact O-N 2.79Å; Y58-N62 PolarHBondContact O-ND2 2.9Å; N62-Q64 VanDerWaalsContact C-N 3.3Å; N62-Q64 PolarHBondContact O-N 2.83Å; N62-I65 WeakPolarHBondContact O-CB 3.47Å; N62-I65 PolarHBondContact O-N 2.83Å; N62-C66 PolarHBondContact O-N 2.87Å
63T98.6Very high98Very high13 Ų1370.1 Ų70.18%0.0835%0.354CS..Hα-helixtrans-57.6-44.2171.5-65.50000111.4F35 R43 E44 W59 D60 R61 C66 K67F35-T63 HydrophobicContact CE2-CG2 4.45Å; R43-T63 HydrophobicContact CB-CG2 4.23Å; E44-T63 PolarHBondContact N-OG1 3.08Å; W59-T63 WeakPolarHBondContact O-CB 3.31Å; W59-T63 PolarHBondContact O-N 3.1Å; W59-T63 PolarHBondContact O-OG1 3.17Å; D60-T63 PolarHBondContact O-N 3.02Å; R61-T63 VanDerWaalsContact C-N 3.35Å; T63-C66 PolarHBondContact O-N 2.88Å; T63-K67 HydrophobicContact CG2-CD 4.23Å; T63-K67 WeakPolarHBondContact O-CG 3.46Å; T63-K67 PolarHBondContact O-N 3.09Å
64Q98.5Very high98Very high109 Ų10965.6 Ų65.651%0.50933%0.33SS..Hα-helixtrans-67-38.2179.1-170.757.532.700112.2D60 R61 N62 K67 T68D60-Q64 WeakPolarHBondContact O-CB 3.24Å; D60-Q64 PolarHBondContact O-N 2.53Å; R61-Q64 PolarHBondContact O-N 2.87Å; N62-Q64 VanDerWaalsContact C-N 3.3Å; N62-Q64 PolarHBondContact O-N 2.83Å; Q64-K67 PolarHBondContact O-N 3.22Å; Q64-T68 PolarHBondContact O-N 3.33Å; Q64-T68 PolarHBondContact O-OG1 3.22Å
65I98.3Very high97.9Very high72 Ų7267.5 Ų67.537%0.36934%0.339SS..Hα-helixtrans-58.9-48.6172.9-70.2166.6000110.4R61 N62 K67 T68 N69R61-I65 HydrophobicContact CG-CD1 4.2Å; R61-I65 WeakPolarHBondContact O-CG1 3.16Å; R61-I65 PolarHBondContact O-N 3.34Å; N62-I65 WeakPolarHBondContact O-CB 3.47Å; N62-I65 PolarHBondContact O-N 2.83Å; I65-K67 VanDerWaalsContact C-N 3.33Å; I65-K67 PolarHBondContact O-N 2.83Å; I65-T68 PolarHBondContact O-N 2.85Å; I65-N69 WeakPolarHBondContact CG2-ND2 3.12Å; I65-N69 PolarHBondContact O-N 3.35Å; I65-N69 PolarHBondContact O-ND2 3.11Å
66C98.3Very high97.9Very high2 Ų267.5 Ų67.51%0.01433%0.333CS..Hα-helixtrans-61.8-38177.6-75.60000113F21 F35 E44 N62 T63 N69 T70F21-C66 HydrophobicContact CE1-CB 4.13Å; F35-C66 HydrophobicContact CB-CB 4.05Å; F35-C66 HydrophobicContact CD1-CB 3.77Å; F35-C66 HydrophobicContact CD2-CB 3.48Å; F35-C66 VanDerWaalsContact CD2-CB 3.48Å; F35-C66 HydrophobicContact CE1-CB 4.02Å; F35-C66 HydrophobicContact CE2-CB 3.78Å; F35-C66 HydrophobicContact CG-CB 3.5Å; F35-C66 HydrophobicContact CZ-CB 4.04Å; E44-C66 PolarHBondContact OE2-SG 2.97Å; N62-C66 PolarHBondContact O-N 2.87Å; T63-C66 PolarHBondContact O-N 2.88Å; C66-N69 PolarHBondContact O-N 2.84Å; C66-T70 PolarHBondContact O-N 2.88Å; C66-T70 PolarHBondContact O-OG1 3.26Å
67K97.6Very high97.9Very high94 Ų9463.3 Ų63.341%0.40931%0.306SS..Hα-helixtrans-64.8-42.1173.7-73.5175.5179.9175.20112.4F35 T63 Q64 I65 T70 Q71F35-K67 HydrophobicContact CE2-CG 4.46Å; F35-K67 HydrophobicContact CZ-CG 4.29Å; T63-K67 HydrophobicContact CG2-CD 4.23Å; T63-K67 WeakPolarHBondContact O-CG 3.46Å; T63-K67 PolarHBondContact O-N 3.09Å; Q64-K67 PolarHBondContact O-N 3.22Å; I65-K67 VanDerWaalsContact C-N 3.33Å; I65-K67 PolarHBondContact O-N 2.83Å; K67-T70 WeakPolarHBondContact O-CB 3.34Å; K67-T70 PolarHBondContact O-N 3.13Å; K67-Q71 PolarHBondContact O-N 2.92Å
68T98.1Very high97.8Very high72 Ų7261.4 Ų61.444%0.44229%0.291SS..Hα-helixtrans-62.4-47.9174-63.70000110.9Q64 I65 T70 Q71 T72Q64-T68 PolarHBondContact O-N 3.33Å; Q64-T68 PolarHBondContact O-OG1 3.22Å; I65-T68 PolarHBondContact O-N 2.85Å; T68-T70 VanDerWaalsContact C-N 3.27Å; T68-T70 PolarHBondContact O-N 3Å; T68-Q71 PolarHBondContact O-N 3.07Å; T68-T72 PolarHBondContact O-N 3.19Å; T68-T72 PolarHBondContact O-OG1 3.23Å
69N97.8Very high97.7Very high28 Ų2863.8 Ų63.815%0.1531%0.306CS..Hα-helixtrans-61.3-35178.5-69.6-31.5000112.4Y8 F21 I65 C66 Q71 T72 D73Y8-N69 HydrophobicContact CE2-CB 4.48Å; Y8-N69 VanDerWaalsContact CE2-ND2 3.32Å; Y8-N69 WeakPolarHBondContact CE2-ND2 3.46Å; F21-N69 HydrophobicContact CE1-CB 4.47Å; F21-N69 HydrophobicContact CE2-CB 3.99Å; F21-N69 HydrophobicContact CZ-CB 3.78Å; I65-N69 WeakPolarHBondContact CG2-ND2 3.12Å; I65-N69 PolarHBondContact O-N 3.35Å; I65-N69 PolarHBondContact O-ND2 3.11Å; C66-N69 PolarHBondContact O-N 2.84Å; N69-Q71 VanDerWaalsContact C-N 3.26Å; N69-Q71 PolarHBondContact O-N 3.07Å; N69-T72 PolarHBondContact O-N 3.03Å; N69-D73 WeakPolarHBondContact O-CB 3.41Å; N69-D73 PolarHBondContact O-N 3.26Å
70T97Very high97.7Very high18 Ų1862.3 Ų62.311%0.1130%0.301CS..Hα-helixtrans-57-40.5173.4-580000111.6F21 C66 K67 T68 R74F21-T70 HydrophobicContact CB-CG2 3.91Å; F21-T70 WeakPolarHBondContact CB-OG1 3.42Å; F21-T70 VanDerWaalsContact CD1-OG1 3.32Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.48Å; F21-T70 WeakPolarHBondContact CG-OG1 3.39Å; C66-T70 PolarHBondContact O-N 2.88Å; C66-T70 PolarHBondContact O-OG1 3.26Å; K67-T70 WeakPolarHBondContact O-CB 3.34Å; K67-T70 PolarHBondContact O-N 3.13Å; T68-T70 VanDerWaalsContact C-N 3.27Å; T68-T70 PolarHBondContact O-N 3Å; T70-R74 WeakPolarHBondContact O-CB 3.34Å; T70-R74 PolarHBondContact O-N 2.84Å
71Q96.9Very high97.6Very high98 Ų9860.3 Ų60.346%0.45829%0.285SS..Hα-helixtrans-75.1-42.1177.2-59.8-54.3-43.800112K67 T68 N69 D73 R74 E75K67-Q71 PolarHBondContact O-N 2.92Å; T68-Q71 PolarHBondContact O-N 3.07Å; N69-Q71 VanDerWaalsContact C-N 3.26Å; N69-Q71 PolarHBondContact O-N 3.07Å; Q71-D73 VanDerWaalsContact C-N 3.33Å; Q71-D73 PolarHBondContact O-N 2.78Å; Q71-R74 WeakPolarHBondContact O-CB 3.38Å; Q71-R74 PolarHBondContact O-N 3.39Å; Q71-E75 PolarHBondContact O-N 2.84Å; Q71-E75 VanDerWaalsContact O-N 3.12Å
72T97.3Very high97.6Very high66 Ų6655.1 Ų55.141%0.40528%0.279SS..Hα-helixtrans-61.1-41.5176.6-590000112.1T68 N69 E75 S76T68-T72 PolarHBondContact O-N 3.19Å; T68-T72 PolarHBondContact O-OG1 3.23Å; N69-T72 PolarHBondContact O-N 3.03Å; T72-E75 PolarHBondContact O-N 3.33Å; T72-S76 WeakPolarHBondContact O-CB 3.16Å; T72-S76 PolarHBondContact O-N 2.96Å; T72-S76 PolarHBondContact O-OG 2.93Å
73D97.3Very high97.5Very high6 Ų656.5 Ų56.53%0.03228%0.283CS..Hα-helixtrans-71.9-32.2179.2-75.7-0.8000111.6A10 F21 N69 Q71 E75 S76 L77 L94 W96A10-D73 HydrophobicContact CB-CB 3.57Å; F21-D73 HydrophobicContact CD2-CB 4.48Å; F21-D73 WeakPolarHBondContact CD2-OD2 3.13Å; F21-D73 VanDerWaalsContact CE2-OD2 3.23Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.49Å; N69-D73 WeakPolarHBondContact O-CB 3.41Å; N69-D73 PolarHBondContact O-N 3.26Å; Q71-D73 VanDerWaalsContact C-N 3.33Å; Q71-D73 PolarHBondContact O-N 2.78Å; D73-E75 VanDerWaalsContact C-N 3.34Å; D73-E75 PolarHBondContact O-N 2.82Å; D73-S76 PolarHBondContact O-N 3.03Å; D73-L77 WeakPolarHBondContact O-CB 3.28Å; D73-L77 VanDerWaalsContact O-CG 3.27Å; D73-L77 WeakPolarHBondContact O-CG 3.26Å; D73-L77 PolarHBondContact O-N 2.85Å; D73-L94 HydrophobicContact CB-CD2 4.39Å; D73-W96 PolarHBondContact OD1-NE1 3.06Å; D73-W96 PolarHBondContact OD2-NE1 2.87Å
74R96.8Very high97.5Very high61 Ų6158.9 Ų58.923%0.2329%0.291CS..Hα-helixtrans-58.7-46.1170176-163.5-179.4162.713111.5E18 P19 T70 Q71 R78E18-R74 IonicContact OE1-CZ 3.25Å; E18-R74 IonicContact OE1-NE 3.28Å; E18-R74 IonicContact OE1-NH1 3.65Å; E18-R74 PolarHBondContact OE1-NH1 2.81Å; E18-R74 IonicContact OE1-NH2 3.93Å; E18-R74 PolarHBondContact OE1-NH2 3.1Å; E18-R74 WeakPolarHBondContact OE2-CD 3.3Å; E18-R74 IonicContact OE2-CZ 2.83Å; E18-R74 IonicContact OE2-NE 2.7Å; E18-R74 PolarHBondContact OE2-NE 3.3Å; E18-R74 IonicContact OE2-NH1 3.4Å; E18-R74 PolarHBondContact OE2-NH1 3.49Å; E18-R74 VanDerWaalsContact OE2-NH1 3.08Å; E18-R74 IonicContact OE2-NH2 3.78Å; E18-R74 PolarHBondContact OE2-NH2 3.26Å; P19-R74 HydrophobicContact CG-CB 4.09Å; P19-R74 HydrophobicContact CG-CG 4.07Å; T70-R74 WeakPolarHBondContact O-CB 3.34Å; T70-R74 PolarHBondContact O-N 2.84Å; Q71-R74 WeakPolarHBondContact O-CB 3.38Å; Q71-R74 PolarHBondContact O-N 3.39Å; R74-R78 VanDerWaalsContact CZ-NH2 3.33Å; R74-R78 WeakPolarHBondContact O-CG 3.13Å; R74-R78 PolarHBondContact O-N 2.87Å
75E96.9Very high97.4Very high117 Ų11760.9 Ų60.955%0.54731%0.305SS..Hα-helixtrans-67.4-40.5176.7-68.8-178.7177.700111.7Q71 T72 D73 L77 R78 N79Q71-E75 PolarHBondContact O-N 2.84Å; Q71-E75 VanDerWaalsContact O-N 3.12Å; T72-E75 PolarHBondContact O-N 3.33Å; D73-E75 VanDerWaalsContact C-N 3.34Å; D73-E75 PolarHBondContact O-N 2.82Å; E75-L77 PolarHBondContact O-N 3.18Å; E75-R78 WeakPolarHBondContact O-CB 3.49Å; E75-R78 PolarHBondContact O-N 2.65Å; E75-R78 VanDerWaalsContact O-N 3.17Å; E75-N79 PolarHBondContact O-N 3.18Å; E75-N79 PolarHBondContact O-ND2 2.94Å
76S97.7Very high97.3Very high36 Ų3660.3 Ų60.325%0.25230%0.301SS..Hα-helixtrans-61.6-44.4177.5-60.40000111.9T72 D73 R78 N79 L80T72-S76 WeakPolarHBondContact O-CB 3.16Å; T72-S76 PolarHBondContact O-N 2.96Å; T72-S76 PolarHBondContact O-OG 2.93Å; D73-S76 PolarHBondContact O-N 3.03Å; S76-R78 VanDerWaalsContact C-N 3.29Å; S76-R78 PolarHBondContact O-N 2.82Å; S76-N79 PolarHBondContact O-N 2.96Å; S76-L80 WeakPolarHBondContact O-CB 2.99Å; S76-L80 VanDerWaalsContact O-CG 3.24Å; S76-L80 WeakPolarHBondContact O-CG 3.22Å; S76-L80 PolarHBondContact O-N 3.14Å
77L98.1Very high97.1Very high8 Ų864 Ų644%0.04233%0.327CS..Hα-helixtrans-58.4-39.3173.8-77.5166.2000112.3A10 P19 D73 E75 R81 H92 L94 Y117A10-L77 HydrophobicContact CB-CD1 3.9Å; P19-L77 HydrophobicContact CB-CD1 3.77Å; P19-L77 HydrophobicContact CG-CD1 3.87Å; D73-L77 WeakPolarHBondContact O-CB 3.28Å; D73-L77 VanDerWaalsContact O-CG 3.27Å; D73-L77 WeakPolarHBondContact O-CG 3.26Å; D73-L77 PolarHBondContact O-N 2.85Å; E75-L77 PolarHBondContact O-N 3.18Å; L77-R81 WeakPolarHBondContact O-CB 3.33Å; L77-R81 PolarHBondContact O-N 2.81Å; L77-R81 VanDerWaalsContact O-N 3.1Å; L77-H92 HydrophobicContact CD2-CB 4.32Å; L77-L94 HydrophobicContact CD2-CB 3.67Å; L77-L94 HydrophobicContact CG-CB 4.1Å; L77-Y117 HydrophobicContact CD2-CE2 4.07Å
78R96Very high96.8Very high128 Ų12866 Ų6648%0.48334%0.337SS..Hα-helixtrans-66.2-43.8175-70.7171.5174.1167.9-2.8112R74 E75 S76 G82R74-R78 VanDerWaalsContact CZ-NH2 3.33Å; R74-R78 WeakPolarHBondContact O-CG 3.13Å; R74-R78 PolarHBondContact O-N 2.87Å; E75-R78 WeakPolarHBondContact O-CB 3.49Å; E75-R78 PolarHBondContact O-N 2.65Å; E75-R78 VanDerWaalsContact O-N 3.17Å; S76-R78 VanDerWaalsContact C-N 3.29Å; S76-R78 PolarHBondContact O-N 2.82Å; R78-G82 PolarHBondContact O-N 3.49Å
79N97.2Very high96.4Very high84 Ų8466.6 Ų66.645%0.44935%0.35SS..Hα-helixtrans-64.8-46.5178.7-70.7-28.8000111.6E75 S76 G82 Y83E75-N79 PolarHBondContact O-N 3.18Å; E75-N79 PolarHBondContact O-ND2 2.94Å; S76-N79 PolarHBondContact O-N 2.96Å; N79-G82 CarbonylContact O-C 3.59Å; N79-G82 WeakPolarHBondContact O-CA 3.18Å; N79-G82 PolarHBondContact O-N 2.83Å; N79-G82 VanDerWaalsContact O-N 3.09Å; N79-Y83 WeakPolarHBondContact O-CD1 3.27Å; N79-Y83 PolarHBondContact O-N 2.73Å
80L98.1Very high96.2Very high7 Ų766.3 Ų66.34%0.03735%0.354CS..Hα-helixtrans-59.7-48.4178.9-72164.5000110.9S76 G82 Y83 Y84 L94 Y117 Y122S76-L80 WeakPolarHBondContact O-CB 2.99Å; S76-L80 VanDerWaalsContact O-CG 3.24Å; S76-L80 WeakPolarHBondContact O-CG 3.22Å; S76-L80 PolarHBondContact O-N 3.14Å; L80-G82 PolarHBondContact O-N 3.27Å; L80-Y83 HydrophobicContact CD2-CD2 4.45Å; L80-Y83 PolarHBondContact O-N 3.46Å; L80-Y84 HydrophobicContact CD2-CE2 4.17Å; L80-Y84 VanDerWaalsContact O-CD2 3.22Å; L80-Y84 WeakPolarHBondContact O-CD2 3.36Å; L80-Y84 PolarHBondContact O-N 3.08Å; L80-L94 HydrophobicContact CD1-CB 4.44Å; L80-L94 HydrophobicContact CD1-CD1 3.78Å; L80-L94 HydrophobicContact CD1-CD2 4.11Å; L80-L94 HydrophobicContact CD1-CG 4.34Å; L80-Y117 HydrophobicContact CB-CD1 4.37Å; L80-Y117 HydrophobicContact CB-CD2 4.17Å; L80-Y117 HydrophobicContact CB-CE1 3.97Å; L80-Y117 HydrophobicContact CB-CE2 3.76Å; L80-Y117 HydrophobicContact CB-CG 4.44Å; L80-Y117 HydrophobicContact CD1-CD2 3.6Å; L80-Y117 HydrophobicContact CD1-CE2 3.86Å; L80-Y117 HydrophobicContact CD1-CG 4.11Å; L80-Y117 HydrophobicContact CD2-CG 4.46Å; L80-Y117 HydrophobicContact CG-CD2 4.36Å; L80-Y117 HydrophobicContact CG-CE2 4.4Å; L80-Y122 HydrophobicContact CD2-CD1 4.28Å; L80-Y122 HydrophobicContact CD2-CD2 4.17Å; L80-Y122 HydrophobicContact CD2-CE1 3.71Å; L80-Y122 HydrophobicContact CD2-CE2 3.53Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.32Å
81R96.9Very high96.2Very high70 Ų7069 Ų6926%0.26437%0.373SS..Hα-helixtrans-52.2-41.7174.1-173.6-172.967.5172.711.6112L77 N85 Q86 E88L77-R81 WeakPolarHBondContact O-CB 3.33Å; L77-R81 PolarHBondContact O-N 2.81Å; L77-R81 VanDerWaalsContact O-N 3.1Å; R81-N85 PolarHBondContact O-N 2.84Å; R81-N85 VanDerWaalsContact O-N 3.13Å; R81-Q86 HydrophobicContact CG-CB 3.86Å; R81-Q86 WeakPolarHBondContact CG-O 3.46Å; R81-Q86 PolarHBondContact O-N 3.18Å; R81-E88 IonicContact CZ-OE1 3.63Å; R81-E88 VanDerWaalsContact CZ-OE1 3.27Å; R81-E88 VanDerWaalsContact NH1-CG 3.34Å; R81-E88 IonicContact NH1-OE1 3.01Å; R81-E88 PolarHBondContact NH1-OE1 3.17Å; R81-E88 VanDerWaalsContact NH1-OE1 3.08Å; R81-E88 IonicContact NH2-OE1 3.41Å; R81-E88 PolarHBondContact NH2-OE1 3.28Å
82G97.2Very high96.2Very high43 Ų4365 Ų6544%0.44335%0.354SS..Hα-helixtrans-66.1-45.8175.200000113.3R78 N79 L80 Y84 N85R78-G82 PolarHBondContact O-N 3.49Å; N79-G82 CarbonylContact O-C 3.59Å; N79-G82 WeakPolarHBondContact O-CA 3.18Å; N79-G82 PolarHBondContact O-N 2.83Å; N79-G82 VanDerWaalsContact O-N 3.09Å; L80-G82 PolarHBondContact O-N 3.27Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 3.33Å; G82-N85 PolarHBondContact O-N 3.49Å; G82-N85 VanDerWaalsContact O-N 3.13Å; G82-N85 PolarHBondContact O-OD1 3.31Å
83Y98Very high96.3Very high54 Ų5463.6 Ų63.621%0.21235%0.346CS..Hα-helixtrans-61-35.5178.6-62.4-16.4000112.7N79 L80 I141 K145N79-Y83 WeakPolarHBondContact O-CD1 3.27Å; N79-Y83 PolarHBondContact O-N 2.73Å; L80-Y83 HydrophobicContact CD2-CD2 4.45Å; L80-Y83 PolarHBondContact O-N 3.46Å; Y83-I141 HydrophobicContact CD1-CD1 3.98Å; Y83-I141 HydrophobicContact CD1-CG2 4.46Å; Y83-I141 HydrophobicContact CE1-CD1 4.43Å; Y83-I141 HydrophobicContact CE1-CG2 3.87Å; Y83-I141 HydrophobicContact CE2-CB 4.35Å; Y83-I141 HydrophobicContact CE2-CG2 4.14Å; Y83-I141 HydrophobicContact CG-CD1 4.04Å; Y83-K145 PolarHBondContact OH-NZ 2.79Å
84Y97.9Very high96.4Very high64 Ų6463.6 Ų63.625%0.25135%0.345SS..THydrogen-bonded Turntrans-91.63178.6-69.7-76.4000114.1L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.17Å; L80-Y84 VanDerWaalsContact O-CD2 3.22Å; L80-Y84 WeakPolarHBondContact O-CD2 3.36Å; L80-Y84 PolarHBondContact O-N 3.08Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 3.33Å; Y84-Q86 PolarHBondContact O-N 3.36Å; Y84-Y117 AromaticContact CD2-CD1 3.67Å; Y84-Y117 HydrophobicContact CD2-CD1 3.67Å; Y84-Y117 AromaticContact CD2-CE1 3.49Å; Y84-Y117 HydrophobicContact CD2-CE1 3.49Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.49Å; Y84-Y117 AromaticContact CE2-CD1 3.44Å; Y84-Y117 HydrophobicContact CE2-CD1 3.44Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.44Å; Y84-Y117 AromaticContact CE2-CE1 3.79Å; Y84-Y117 HydrophobicContact CE2-CE1 3.79Å; Y84-Y117 HydrophobicContact CE2-CG 4.42Å; Y84-Y117 HydrophobicContact CG-CE1 4.33Å; Y84-Y122 HydrophobicContact CE2-CD2 4.35Å; Y84-Y122 HydrophobicContact CE2-CE2 4Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.31Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.42Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.37Å; Y84-D136 PolarHBondContact OH-OD1 3.2Å; Y84-D136 PolarHBondContact OH-OD2 3.43Å; Y84-A138 HydrophobicContact CD1-CB 4Å; Y84-A138 HydrophobicContact CD2-CB 4.4Å; Y84-A138 HydrophobicContact CE1-CB 3.53Å; Y84-A138 HydrophobicContact CE2-CB 3.95Å; Y84-A138 HydrophobicContact CG-CB 4.42Å
85N96.7Very high96.5Very high151 Ų15164.4 Ų64.481%0.80735%0.352SS*.THydrogen-bonded Turntrans51.440.1-176.8-58.9-56.5000113.4R81 G82R81-N85 PolarHBondContact O-N 2.84Å; R81-N85 VanDerWaalsContact O-N 3.13Å; G82-N85 PolarHBondContact O-N 3.49Å; G82-N85 VanDerWaalsContact O-N 3.13Å; G82-N85 PolarHBondContact O-OD1 3.31Å
86Q96.8Very high96.5Very high60 Ų6060.5 Ų60.528%0.2833%0.332SS..  trans-88.2151.9-176.8-70.9167.5-34.700112.1R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.86Å; R81-Q86 WeakPolarHBondContact CG-O 3.46Å; R81-Q86 PolarHBondContact O-N 3.18Å; Y84-Q86 PolarHBondContact O-N 3.36Å; Q86-H92 PolarHBondContact NE2-CE1 2.89Å; Q86-H92 PolarHBondContact OE1-CE1 2.77Å; Q86-H92 PolarHBondContact OE1-ND1 2.83Å; Q86-Y117 PolarHBondContact OE1-OH 2.7Å; Q86-D118 PolarHBondContact NE2-OD2 3.37Å
87S94Very high96.6Very high80 Ų8060 Ų6056%0.55933%0.326SS*.  trans-70.1155.7-179.777.90000112.9A89S87-A89 VanDerWaalsContact C-N 3.26Å; S87-A89 PolarHBondContact O-N 2.95Å
88E90Very high96.6Very high134 Ų13462.9 Ų62.963%0.62634%0.337SS*.THydrogen-bonded Turntrans-71.4-20176.7-53.3-149.9121.700114.4P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.42Å; P14-E88 WeakPolarHBondContact CG-O 3.11Å; R81-E88 IonicContact CZ-OE1 3.63Å; R81-E88 VanDerWaalsContact CZ-OE1 3.27Å; R81-E88 VanDerWaalsContact NH1-CG 3.34Å; R81-E88 IonicContact NH1-OE1 3.01Å; R81-E88 PolarHBondContact NH1-OE1 3.17Å; R81-E88 VanDerWaalsContact NH1-OE1 3.08Å; R81-E88 IonicContact NH2-OE1 3.41Å; R81-E88 PolarHBondContact NH2-OE1 3.28Å; E88-G90 VanDerWaalsContact C-N 3.3Å
89A90.4Very high96.7Very high85 Ų8557.4 Ų57.470%0.70232%0.32SS*.THydrogen-bonded Turntrans-78.4-15.8-177.100000113.1S87S87-A89 VanDerWaalsContact C-N 3.26Å; S87-A89 PolarHBondContact O-N 2.95Å
90G92.7Very high96.8Very high23 Ų2355 Ų5524%0.23731%0.309CS..SBendtrans-78.9134.5-18000000112.6P14 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.45Å; E88-G90 VanDerWaalsContact C-N 3.3Å; G90-H92 PolarHBondContact O-CD2 3.34Å
91S96.6Very high96.8Very high73 Ų7356.2 Ų56.251%0.5132%0.316SS..  trans-80.4137.5164.7-179.70000108.9S12S12-S91 WeakPolarHBondContact O-CB 3.49Å; S12-S91 PolarHBondContact O-OG 2.94Å
92H98.3Very high96.8Very high16 Ų1654.8 Ų54.87%0.07432%0.315CS..  trans-132.7149.5-176-64.2-73.1000110.3V11 S12 L77 Q86 G90 Y117 D118V11-H92 WeakPolarHBondContact CA-O 3.42Å; S12-H92 PolarHBondContact N-O 2.78Å; S12-H92 PolarHBondContact OG-N 3.31Å; S12-H92 PolarHBondContact OG-O 3Å; L77-H92 HydrophobicContact CD2-CB 4.32Å; Q86-H92 PolarHBondContact NE2-CE1 2.89Å; Q86-H92 PolarHBondContact OE1-CE1 2.77Å; Q86-H92 PolarHBondContact OE1-ND1 2.83Å; G90-H92 PolarHBondContact O-CD2 3.34Å; H92-Y117 HydrophobicContact CB-CE2 3.83Å; H92-Y117 WeakPolarHBondContact CB-OH 3.34Å; H92-Y117 VanDerWaalsContact CG-OH 3.25Å; H92-Y117 AromaticContact ND1-CZ 4Å; H92-Y117 PolarHBondContact ND1-OH 2.94Å; H92-D118 WeakPolarHBondContact CA-OD1 3.27Å; H92-D118 WeakPolarHBondContact CB-OD1 3.32Å; H92-D118 IonicContact CE1-OD2 3.27Å; H92-D118 IonicContact CG-OD1 2.78Å; H92-D118 IonicContact CG-OD2 3.08Å; H92-D118 IonicContact ND1-OD1 3.68Å; H92-D118 IonicContact ND1-OD2 2.73Å; H92-D118 PolarHBondContact ND1-OD2 2.69Å
93T98.6Very high96.9Very high36 Ų3652.9 Ų52.922%0.22130%0.295CS..EExtended strand (participates in β ladder)trans-121122.7-177.5-60.10000110.1T9 A10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 4.06Å; A10-T93 WeakPolarHBondContact O-CA 3.48Å; V11-T93 HydrophobicContact CG2-CG2 4.25Å; T93-Q95 HydrophobicContact CG2-CG 3.86Å; T93-Y117 CarbonylContact O-C 3.56Å; T93-Y117 WeakPolarHBondContact O-CA 3.29Å; T93-Y117 VanDerWaalsContact O-CD2 3.29Å; T93-Y117 WeakPolarHBondContact O-CD2 3.21Å; T93-D118 PolarHBondContact N-OD1 3.01Å; T93-D118 PolarHBondContact O-N 3.41Å
94L98.8Very high96.9Very high5 Ų556.4 Ų56.43%0.02633%0.325CS..EExtended strand (participates in β ladder)trans-103.6126167.1173.359.9000107.8T9 A10 D73 L77 L80 F115T9-L94 WeakPolarHBondContact CA-O 3.44Å; A10-L94 HydrophobicContact CB-CB 4.46Å; A10-L94 PolarHBondContact N-O 3.34Å; A10-L94 PolarHBondContact O-N 3.48Å; D73-L94 HydrophobicContact CB-CD2 4.39Å; L77-L94 HydrophobicContact CD2-CB 3.67Å; L77-L94 HydrophobicContact CG-CB 4.1Å; L80-L94 HydrophobicContact CD1-CB 4.44Å; L80-L94 HydrophobicContact CD1-CD1 3.78Å; L80-L94 HydrophobicContact CD1-CD2 4.11Å; L80-L94 HydrophobicContact CD1-CG 4.34Å; L94-F115 HydrophobicContact CD1-CD1 4.41Å
95Q98.8Very high96.8Very high78 Ų7857.9 Ų57.936%0.36434%0.337SS..EExtended strand (participates in β ladder)trans-121.4143.4173.3-71173.5-73.400109Y8 T9 T93 F115 A116Y8-Q95 WeakPolarHBondContact O-CA 3.34Å; T9-Q95 HydrophobicContact CG2-CG 3.91Å; T93-Q95 HydrophobicContact CG2-CG 3.86Å; Q95-F115 CarbonylContact O-C 3.59Å; Q95-F115 WeakPolarHBondContact O-CA 3.25Å; Q95-A116 HydrophobicContact CB-CB 4.35Å; Q95-A116 PolarHBondContact N-O 2.84Å; Q95-A116 PolarHBondContact O-N 3.26Å; Q95-A116 VanDerWaalsContact O-O 3.14Å
96W98.4Very high96.8Very high36 Ų3653.4 Ų53.414%0.13633%0.326CS..EExtended strand (participates in β ladder)trans-147.7151.1167.862.9-80.4000111.4Y8 D73 Y98 Q114 F115Y8-W96 HydrophobicContact CD2-CD2 4.1Å; Y8-W96 AromaticContact CD2-CE2 3.27Å; Y8-W96 AromaticContact CD2-CH2 3.61Å; Y8-W96 HydrophobicContact CD2-CH2 3.61Å; Y8-W96 AromaticContact CD2-CZ2 3.02Å; Y8-W96 HydrophobicContact CD2-CZ2 3.02Å; Y8-W96 HydrophobicContact CD2-CZ3 4.36Å; Y8-W96 AromaticContact CD2-NE1 3.68Å; Y8-W96 AromaticContact CE2-CH2 3.49Å; Y8-W96 HydrophobicContact CE2-CH2 3.49Å; Y8-W96 VanDerWaalsContact CE2-CH2 3.49Å; Y8-W96 AromaticContact CE2-CZ2 3.34Å; Y8-W96 HydrophobicContact CE2-CZ2 3.34Å; Y8-W96 HydrophobicContact CE2-CZ3 4.37Å; Y8-W96 HydrophobicContact CG-CD2 4.41Å; Y8-W96 AromaticContact CG-CE2 3.93Å; Y8-W96 HydrophobicContact CG-CZ2 4.07Å; Y8-W96 PolarHBondContact N-O 2.88Å; Y8-W96 PolarHBondContact O-N 2.88Å; D73-W96 PolarHBondContact OD1-NE1 3.06Å; D73-W96 PolarHBondContact OD2-NE1 2.87Å; W96-Y98 AromaticContact CE3-CD1 3.75Å; W96-Y98 HydrophobicContact CE3-CD1 3.75Å; W96-Y98 HydrophobicContact CE3-CE1 4.43Å; W96-Y98 AromaticContact CH2-CD1 3.96Å; W96-Y98 HydrophobicContact CH2-CD1 3.96Å; W96-Y98 AromaticContact CH2-CE1 3.9Å; W96-Y98 HydrophobicContact CH2-CE1 3.9Å; W96-Y98 AromaticContact CZ3-CD1 3.17Å; W96-Y98 HydrophobicContact CZ3-CD1 3.17Å; W96-Y98 AromaticContact CZ3-CE1 3.6Å; W96-Y98 HydrophobicContact CZ3-CE1 3.6Å; W96-Y98 HydrophobicContact CZ3-CG 4.09Å; W96-Q114 CarbonylContact C-O 3.58Å; W96-Q114 WeakPolarHBondContact CA-O 3.48Å; W96-Q114 WeakPolarHBondContact CB-O 3.39Å; W96-F115 HydrophobicContact CB-CB 4.41Å; W96-F115 HydrophobicContact CB-CD1 3.33Å; W96-F115 HydrophobicContact CB-CD2 4.45Å; W96-F115 HydrophobicContact CB-CE1 3.49Å; W96-F115 VanDerWaalsContact CB-CE1 3.49Å; W96-F115 HydrophobicContact CB-CG 3.83Å; W96-F115 HydrophobicContact CB-CZ 4.12Å; W96-F115 AromaticContact CD2-CE1 4Å; W96-F115 HydrophobicContact CD2-CE1 4Å; W96-F115 HydrophobicContact CD2-CZ 4.31Å; W96-F115 HydrophobicContact CE3-CE1 4.39Å; W96-F115 HydrophobicContact CE3-CZ 4.24Å; W96-F115 AromaticContact CG-CD1 3.93Å; W96-F115 HydrophobicContact CG-CD1 3.93Å; W96-F115 AromaticContact CG-CE1 3.63Å; W96-F115 HydrophobicContact CG-CE1 3.63Å; W96-F115 HydrophobicContact CG-CZ 4.31Å
97M98.4Very high96.8Very high24 Ų2459.1 Ų59.112%0.11835%0.346CS..EExtended strand (participates in β ladder)trans-131.7141.217968.1114.5-54.200109.4Y6 F7 Y112 N113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.44Å; Y6-M97 WeakPolarHBondContact O-CB 3.34Å; F7-M97 HydrophobicContact CD1-CB 3.78Å; F7-M97 HydrophobicContact CE1-CB 4.09Å; F7-M97 HydrophobicContact CG-CB 4.49Å; M97-Y112 HydrophobicContact CE-CG 4.02Å; M97-N113 CarbonylContact O-C 3.55Å; M97-N113 WeakPolarHBondContact O-CA 3.32Å; M97-Q114 HydrophobicContact CG-CB 3.97Å; M97-Q114 PolarHBondContact N-O 3.26Å; M97-Q114 PolarHBondContact O-N 3.12Å; M97-Q114 HydrophobicContact SD-CB 4.44Å; M97-Q114 HydrophobicContact SD-CG 4.37Å
98Y98.4Very high97Very high70 Ų7060.4 Ų60.428%0.27535%0.345SS..EExtended strand (participates in β ladder)trans-136.6157.7167.669.8-82000110.1Y6 Y8 W96 Y112Y6-Y98 VanDerWaalsContact CB-CE1 3.44Å; Y6-Y98 HydrophobicContact CD2-CD2 4.37Å; Y6-Y98 HydrophobicContact CD2-CE1 4.37Å; Y6-Y98 AromaticContact CD2-CE2 3.59Å; Y6-Y98 HydrophobicContact CD2-CE2 3.59Å; Y6-Y98 AromaticContact CD2-CZ 3.61Å; Y6-Y98 HydrophobicContact CE2-CE2 4.25Å; Y6-Y98 HydrophobicContact CG-CE1 4.03Å; Y6-Y98 HydrophobicContact CG-CE2 4.09Å; Y6-Y98 AromaticContact CG-CZ 3.63Å; Y6-Y98 PolarHBondContact N-O 3.01Å; Y6-Y98 PolarHBondContact O-N 3.01Å; Y6-Y98 VanDerWaalsContact O-N 3.14Å; Y8-Y98 HydrophobicContact CE1-CE1 4.07Å; Y8-Y98 HydrophobicContact CE2-CE1 4.03Å; Y8-Y98 AromaticContact CZ-CE1 3.67Å; Y8-Y98 PolarHBondContact OH-OH 2.84Å; W96-Y98 AromaticContact CE3-CD1 3.75Å; W96-Y98 HydrophobicContact CE3-CD1 3.75Å; W96-Y98 HydrophobicContact CE3-CE1 4.43Å; W96-Y98 AromaticContact CH2-CD1 3.96Å; W96-Y98 HydrophobicContact CH2-CD1 3.96Å; W96-Y98 AromaticContact CH2-CE1 3.9Å; W96-Y98 HydrophobicContact CH2-CE1 3.9Å; W96-Y98 AromaticContact CZ3-CD1 3.17Å; W96-Y98 HydrophobicContact CZ3-CD1 3.17Å; W96-Y98 AromaticContact CZ3-CE1 3.6Å; W96-Y98 HydrophobicContact CZ3-CE1 3.6Å; W96-Y98 HydrophobicContact CZ3-CG 4.09Å; Y98-Y112 VanDerWaalsContact CA-O 3.22Å; Y98-Y112 WeakPolarHBondContact CA-O 3.4Å; Y98-Y112 WeakPolarHBondContact CB-O 3.37Å
99G98.4Very high97.4Very high12 Ų1259.5 Ų59.512%0.12434%0.344CS..EExtended strand (participates in β ladder)trans170.4-172.9-176.600000113.3M4 Y112M4-G99 CarbonylContact O-C 3.55Å; M4-G99 WeakPolarHBondContact O-CA 3.35Å; G99-Y112 PolarHBondContact N-O 2.85Å; G99-Y112 PolarHBondContact O-N 2.99Å
100C98.5Very high97.7Very high33 Ų3359.8 Ų59.822%0.22333%0.327CS..EExtended strand (participates in β ladder)trans-150.1156.4176.258.30000112.5S3 M4 L108 R110S3-C100 VanDerWaalsContact CA-O 3.26Å; S3-C100 WeakPolarHBondContact CA-O 3.48Å; M4-C100 PolarHBondContact N-O 2.85Å; M4-C100 PolarHBondContact O-N 2.85Å; C100-L108 HydrophobicContact CB-CD1 3.63Å; C100-R110 CarbonylContact C-O 3.58Å; C100-R110 WeakPolarHBondContact CA-O 3.25Å; C100-R110 WeakPolarHBondContact CB-O 3.33Å
101D98.5Very high98Very high34 Ų3459.4 Ų59.418%0.18232%0.323CS..EExtended strand (participates in β ladder)trans-108.4139.3163.4-60.1-41.7000109.3H2 S3 R5 L109 R110 Y112H2-D101 WeakPolarHBondContact O-CA 3.39Å; S3-D101 WeakPolarHBondContact CB-OD1 3.45Å; R5-D101 IonicContact CZ-OD1 2.66Å; R5-D101 IonicContact NH1-OD1 2.74Å; R5-D101 IonicContact NH2-OD1 2.82Å; R5-D101 PolarHBondContact NH2-OD1 2.66Å; R5-D101 IonicContact NH2-OD2 3.05Å; D101-L109 HydrophobicContact CB-CB 4.42Å; D101-L109 PolarHBondContact O-N 3.31Å; D101-R110 HydrophobicContact CB-CB 4.39Å; D101-R110 PolarHBondContact N-O 2.8Å; D101-R110 PolarHBondContact O-N 3.27Å; D101-Y112 VanDerWaalsContact OD2-CE2 3.28Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.11Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.3Å; D101-Y112 PolarHBondContact OD2-OH 3.31Å
102V98.4Very high98.1Very high40 Ų4057.9 Ų57.924%0.24231%0.307CS..EExtended strand (participates in β ladder)trans-122.6142.4176.9-62.70000111.5S1 H2 R107S1-V102 CarbonylContact C-O 3.6Å; S1-V102 WeakPolarHBondContact CA-O 3.23Å; S1-V102 VanDerWaalsContact CB-O 3.31Å; S1-V102 WeakPolarHBondContact CB-O 3.4Å; H2-V102 HydrophobicContact CB-CG2 3.85Å; H2-V102 PolarHBondContact N-O 2.93Å; H2-V102 WeakPolarHBondContact O-CG2 3.32Å; H2-V102 PolarHBondContact O-N 2.93Å; V102-R107 CarbonylContact C-O 3.56Å; V102-R107 VanDerWaalsContact CA-O 3.28Å; V102-R107 WeakPolarHBondContact CA-O 2.97Å
103G98.3Very high98Very high3 Ų359.1 Ų59.13%0.03131%0.314CS..  trans-70.8170178.900000112.6D105 G106 R107G103-D105 PolarHBondContact O-N 2.96Å; G103-G106 PolarHBondContact O-N 3.22Å; G103-R107 PolarHBondContact N-O 3.25Å
104P97.4Very high98Very high127 Ų12761 Ų6183%0.82532%0.32SS*.THydrogen-bonded Turntrans-58.2-23.8172.5-21.332.9000113.5G106P104-G106 VanDerWaalsContact C-N 3.28Å
105D97.1Very high98Very high95 Ų9562.3 Ų62.351%0.50833%0.325SS..THydrogen-bonded Turntrans-86.75.6175.467.3-17.4000113.4G103 R107G103-D105 PolarHBondContact O-N 2.96Å; D105-R107 PolarHBondContact O-N 3.44Å; D105-R107 PolarHBondContact OD1-N 3.21Å; D105-R107 WeakPolarHBondContact OD2-CD 3.38Å; D105-R107 WeakPolarHBondContact OD2-CG 3.46Å; D105-R107 IonicContact OD2-CZ 3.87Å; D105-R107 IonicContact OD2-NE 3.63Å; D105-R107 IonicContact OD2-NH1 2.84Å; D105-R107 PolarHBondContact OD2-NH1 2.81Å
106G95.8Very high98Very high57 Ų5759.4 Ų59.459%0.58832%0.315SS*.SBendtrans75.53.5-179.500000114.6G103 P104G103-G106 PolarHBondContact O-N 3.22Å; P104-G106 VanDerWaalsContact C-N 3.28Å
107R97.8Very high98.1Very high181 Ų18158.1 Ų58.168%0.68331%0.31SS*.  trans-80.3146.3178.8-65.5-172.3177.3143.5-10.5111.6V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.56Å; V102-R107 VanDerWaalsContact CA-O 3.28Å; V102-R107 WeakPolarHBondContact CA-O 2.97Å; G103-R107 PolarHBondContact N-O 3.25Å; D105-R107 PolarHBondContact O-N 3.44Å; D105-R107 PolarHBondContact OD1-N 3.21Å; D105-R107 WeakPolarHBondContact OD2-CD 3.38Å; D105-R107 WeakPolarHBondContact OD2-CG 3.46Å; D105-R107 IonicContact OD2-CZ 3.87Å; D105-R107 IonicContact OD2-NE 3.63Å; D105-R107 IonicContact OD2-NH1 2.84Å; D105-R107 PolarHBondContact OD2-NH1 2.81Å; R107-L109 PolarHBondContact O-N 3.29Å
108L97.7Very high98.1Very high106 Ų10659.9 Ų59.956%0.55532%0.32SS*.EExtended strand (participates in β ladder)trans-60.3126.4174.6-179.367.1000110.2C100 R110 L129C100-L108 HydrophobicContact CB-CD1 3.63Å; L108-R110 WeakPolarHBondContact CD1-O 3.45Å; L108-L129 HydrophobicContact CD2-CD1 4.4Å
109L97.5Very high98Very high115 Ų11559.4 Ų59.460%0.60234%0.337SS*.EExtended strand (participates in β ladder)trans-101.6-41.2172.6-65.1179.2000111.5D101 R107D101-L109 HydrophobicContact CB-CB 4.42Å; D101-L109 PolarHBondContact O-N 3.31Å; R107-L109 PolarHBondContact O-N 3.29Å
110R97.7Very high98Very high91 Ų9166.5 Ų66.534%0.34336%0.364SS..EExtended strand (participates in β ladder)trans-153.8138.2-176-174.2163.8176.7136.213111.2C100 D101 L108 Y112 E127C100-R110 CarbonylContact C-O 3.58Å; C100-R110 WeakPolarHBondContact CA-O 3.25Å; C100-R110 WeakPolarHBondContact CB-O 3.33Å; D101-R110 HydrophobicContact CB-CB 4.39Å; D101-R110 PolarHBondContact N-O 2.8Å; D101-R110 PolarHBondContact O-N 3.27Å; L108-R110 WeakPolarHBondContact CD1-O 3.45Å; R110-Y112 HydrophobicContact CB-CE2 4.2Å; R110-Y112 VanDerWaalsContact CD-CZ 3.47Å; R110-Y112 VanDerWaalsContact CD-OH 3.3Å; R110-Y112 WeakPolarHBondContact CD-OH 3.42Å; R110-Y112 HydrophobicContact CG-CD2 4.4Å; R110-Y112 HydrophobicContact CG-CE1 4.07Å; R110-Y112 HydrophobicContact CG-CE2 3.85Å; R110-E127 IonicContact CZ-OE1 3.57Å; R110-E127 IonicContact NH1-OE1 3.74Å; R110-E127 PolarHBondContact NH1-OE1 2.94Å; R110-E127 IonicContact NH2-OE1 3.8Å; R110-E127 PolarHBondContact NH2-OE1 2.68Å
111G98.3Very high98Very high15 Ų1571.4 Ų71.416%0.15539%0.388CS..EExtended strand (participates in β ladder)trans-106.8153.7168.700000110.9
112Y98.1Very high98Very high42 Ų4270.2 Ų70.217%0.16538%0.381CS..EExtended strand (participates in β ladder)trans-134.9140.1179.6-56.9-93.4000110.6M97 Y98 G99 D101 R110M97-Y112 HydrophobicContact CE-CG 4.02Å; Y98-Y112 VanDerWaalsContact CA-O 3.22Å; Y98-Y112 WeakPolarHBondContact CA-O 3.4Å; Y98-Y112 WeakPolarHBondContact CB-O 3.37Å; G99-Y112 PolarHBondContact N-O 2.85Å; G99-Y112 PolarHBondContact O-N 2.99Å; D101-Y112 VanDerWaalsContact OD2-CE2 3.28Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.11Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.3Å; D101-Y112 PolarHBondContact OD2-OH 3.31Å; R110-Y112 HydrophobicContact CB-CE2 4.2Å; R110-Y112 VanDerWaalsContact CD-CZ 3.47Å; R110-Y112 VanDerWaalsContact CD-OH 3.3Å; R110-Y112 WeakPolarHBondContact CD-OH 3.42Å; R110-Y112 HydrophobicContact CG-CD2 4.4Å; R110-Y112 HydrophobicContact CG-CE1 4.07Å; R110-Y112 HydrophobicContact CG-CE2 3.85Å
113N98.2Very high98Very high41 Ų4168.4 Ų68.422%0.21937%0.37CS..EExtended strand (participates in β ladder)trans-154.2106.7164.7-167.6-11.1000108.4M97 F115 L125 W132M97-N113 CarbonylContact O-C 3.55Å; M97-N113 WeakPolarHBondContact O-CA 3.32Å; N113-F115 WeakPolarHBondContact OD1-CE2 3.47Å; N113-L125 HydrophobicContact CB-CB 3.91Å; N113-L125 HydrophobicContact CB-CD2 4.11Å; N113-L125 WeakPolarHBondContact O-CB 3.44Å; N113-L125 PolarHBondContact O-N 3.08Å; N113-W132 HydrophobicContact CB-CH2 4.28Å; N113-W132 HydrophobicContact CB-CZ3 4.49Å
114Q98.6Very high98.1Very high75 Ų7569.7 Ų69.735%0.3538%0.38SS..EExtended strand (participates in β ladder)trans-136.6140.6-169.4-53.8176.9-13.100110.3W96 M97 A124W96-Q114 CarbonylContact C-O 3.58Å; W96-Q114 WeakPolarHBondContact CA-O 3.48Å; W96-Q114 WeakPolarHBondContact CB-O 3.39Å; M97-Q114 HydrophobicContact CG-CB 3.97Å; M97-Q114 PolarHBondContact N-O 3.26Å; M97-Q114 PolarHBondContact O-N 3.12Å; M97-Q114 HydrophobicContact SD-CB 4.44Å; M97-Q114 HydrophobicContact SD-CG 4.37Å; Q114-A124 HydrophobicContact CB-CB 4.34Å; Q114-A124 HydrophobicContact CG-CB 3.96Å
115F98.8Very high98.1Very high33 Ų3365.3 Ų65.315%0.14535%0.35CS..EExtended strand (participates in β ladder)trans-123.8142.4-179-63.9-103.2000110L94 Q95 W96 N113 Y122 I123 W132 W146L94-F115 HydrophobicContact CD1-CD1 4.41Å; Q95-F115 CarbonylContact O-C 3.59Å; Q95-F115 WeakPolarHBondContact O-CA 3.25Å; W96-F115 HydrophobicContact CB-CB 4.41Å; W96-F115 HydrophobicContact CB-CD1 3.33Å; W96-F115 HydrophobicContact CB-CD2 4.45Å; W96-F115 HydrophobicContact CB-CE1 3.49Å; W96-F115 VanDerWaalsContact CB-CE1 3.49Å; W96-F115 HydrophobicContact CB-CG 3.83Å; W96-F115 HydrophobicContact CB-CZ 4.12Å; W96-F115 AromaticContact CD2-CE1 4Å; W96-F115 HydrophobicContact CD2-CE1 4Å; W96-F115 HydrophobicContact CD2-CZ 4.31Å; W96-F115 HydrophobicContact CE3-CE1 4.39Å; W96-F115 HydrophobicContact CE3-CZ 4.24Å; W96-F115 AromaticContact CG-CD1 3.93Å; W96-F115 HydrophobicContact CG-CD1 3.93Å; W96-F115 AromaticContact CG-CE1 3.63Å; W96-F115 HydrophobicContact CG-CE1 3.63Å; W96-F115 HydrophobicContact CG-CZ 4.31Å; N113-F115 WeakPolarHBondContact OD1-CE2 3.47Å; F115-Y122 HydrophobicContact CB-CD1 4.17Å; F115-Y122 WeakPolarHBondContact O-CA 3.48Å; F115-Y122 WeakPolarHBondContact O-CB 3.48Å; F115-Y122 PolarHBondContact O-N 2.87Å; F115-I123 HydrophobicContact CB-CG2 3.99Å; F115-I123 HydrophobicContact CD2-CG2 3.84Å; F115-I123 HydrophobicContact CG-CG2 4.12Å; F115-I123 PolarHBondContact N-O 3.2Å; F115-I123 PolarHBondContact O-N 3.23Å; F115-W132 HydrophobicContact CE2-CZ3 4.4Å; F115-W146 HydrophobicContact CD2-CH2 4.04Å; F115-W146 HydrophobicContact CD2-CZ3 4.35Å; F115-W146 HydrophobicContact CE1-CH2 4.32Å; F115-W146 AromaticContact CE2-CH2 3.53Å; F115-W146 HydrophobicContact CE2-CH2 3.53Å; F115-W146 AromaticContact CE2-CZ3 3.93Å; F115-W146 HydrophobicContact CE2-CZ3 3.93Å; F115-W146 AromaticContact CZ-CH2 3.71Å; F115-W146 HydrophobicContact CZ-CH2 3.71Å
116A98.8Very high98.1Very high18 Ų1863 Ų6315%0.14934%0.337CS..EExtended strand (participates in β ladder)trans-130.3145.7172.400000110.2Q95 K120Q95-A116 HydrophobicContact CB-CB 4.35Å; Q95-A116 PolarHBondContact N-O 2.84Å; Q95-A116 PolarHBondContact O-N 3.26Å; Q95-A116 VanDerWaalsContact O-O 3.14Å; A116-K120 CarbonylContact C-O 3.42Å; A116-K120 WeakPolarHBondContact CA-O 3.28Å; A116-K120 VanDerWaalsContact CB-O 3.26Å; A116-K120 WeakPolarHBondContact CB-O 3.3Å
117Y98.8Very high98.1Very high9 Ų966.7 Ų66.74%0.03534%0.34CS..EExtended strand (participates in β ladder)trans-128.5128177.1-173.1-121.4000110.1L77 L80 Y84 Q86 H92 T93 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.07Å; L80-Y117 HydrophobicContact CB-CD1 4.37Å; L80-Y117 HydrophobicContact CB-CD2 4.17Å; L80-Y117 HydrophobicContact CB-CE1 3.97Å; L80-Y117 HydrophobicContact CB-CE2 3.76Å; L80-Y117 HydrophobicContact CB-CG 4.44Å; L80-Y117 HydrophobicContact CD1-CD2 3.6Å; L80-Y117 HydrophobicContact CD1-CE2 3.86Å; L80-Y117 HydrophobicContact CD1-CG 4.11Å; L80-Y117 HydrophobicContact CD2-CG 4.46Å; L80-Y117 HydrophobicContact CG-CD2 4.36Å; L80-Y117 HydrophobicContact CG-CE2 4.4Å; Y84-Y117 AromaticContact CD2-CD1 3.67Å; Y84-Y117 HydrophobicContact CD2-CD1 3.67Å; Y84-Y117 AromaticContact CD2-CE1 3.49Å; Y84-Y117 HydrophobicContact CD2-CE1 3.49Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.49Å; Y84-Y117 AromaticContact CE2-CD1 3.44Å; Y84-Y117 HydrophobicContact CE2-CD1 3.44Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.44Å; Y84-Y117 AromaticContact CE2-CE1 3.79Å; Y84-Y117 HydrophobicContact CE2-CE1 3.79Å; Y84-Y117 HydrophobicContact CE2-CG 4.42Å; Y84-Y117 HydrophobicContact CG-CE1 4.33Å; Q86-Y117 PolarHBondContact OE1-OH 2.7Å; H92-Y117 HydrophobicContact CB-CE2 3.83Å; H92-Y117 WeakPolarHBondContact CB-OH 3.34Å; H92-Y117 VanDerWaalsContact CG-OH 3.25Å; H92-Y117 AromaticContact ND1-CZ 4Å; H92-Y117 PolarHBondContact ND1-OH 2.94Å; T93-Y117 CarbonylContact O-C 3.56Å; T93-Y117 WeakPolarHBondContact O-CA 3.29Å; T93-Y117 VanDerWaalsContact O-CD2 3.29Å; T93-Y117 WeakPolarHBondContact O-CD2 3.21Å; Y117-G119 PolarHBondContact O-N 2.8Å; Y117-K120 PolarHBondContact N-O 2.9Å; Y117-K120 PolarHBondContact O-N 3.03Å; Y117-K120 VanDerWaalsContact O-N 3.07Å
118D98.3Very high98Very high60 Ų6062.5 Ų62.532%0.32133%0.33SS..THydrogen-bonded Turntrans49.740-174.2-65.9-22000113.1Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 3.37Å; H92-D118 WeakPolarHBondContact CA-OD1 3.27Å; H92-D118 WeakPolarHBondContact CB-OD1 3.32Å; H92-D118 IonicContact CE1-OD2 3.27Å; H92-D118 IonicContact CG-OD1 2.78Å; H92-D118 IonicContact CG-OD2 3.08Å; H92-D118 IonicContact ND1-OD1 3.68Å; H92-D118 IonicContact ND1-OD2 2.73Å; H92-D118 PolarHBondContact ND1-OD2 2.69Å; T93-D118 PolarHBondContact N-OD1 3.01Å; T93-D118 PolarHBondContact O-N 3.41Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 3.29Å
119G97.5Very high97.9Very high61 Ų6161.3 Ų61.363%0.62932%0.324SS*.THydrogen-bonded Turntrans779.2177.500000115.2Y117Y117-G119 PolarHBondContact O-N 2.8Å
120K98.4Very high97.7Very high161 Ų16160 Ų6070%0.733%0.325SS*.EExtended strand (participates in β ladder)trans-115.6147.7176.5-61.3-179.7-177177.50110.7A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.42Å; A116-K120 WeakPolarHBondContact CA-O 3.28Å; A116-K120 VanDerWaalsContact CB-O 3.26Å; A116-K120 WeakPolarHBondContact CB-O 3.3Å; Y117-K120 PolarHBondContact N-O 2.9Å; Y117-K120 PolarHBondContact O-N 3.03Å; Y117-K120 VanDerWaalsContact O-N 3.07Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 3.29Å; K120-Y122 PolarHBondContact O-N 3.38Å
121D98.6Very high97.6Very high136 Ų13657.3 Ų57.373%0.72732%0.32SS*.EExtended strand (participates in β ladder)trans-53136.9174-65.9-15.4000110.6A135D121-A135 HydrophobicContact CB-CB 4.11Å; D121-A135 WeakPolarHBondContact O-CB 3.04Å
122Y98.8Very high97.6Very high8 Ų858.2 Ų58.23%0.03132%0.319CS..EExtended strand (participates in β ladder)trans-115.4-65.3178.9-178.7-115.1000110.8L80 Y84 F115 K120 A135 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.28Å; L80-Y122 HydrophobicContact CD2-CD2 4.17Å; L80-Y122 HydrophobicContact CD2-CE1 3.71Å; L80-Y122 HydrophobicContact CD2-CE2 3.53Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.32Å; Y84-Y122 HydrophobicContact CE2-CD2 4.35Å; Y84-Y122 HydrophobicContact CE2-CE2 4Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.31Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.42Å; F115-Y122 HydrophobicContact CB-CD1 4.17Å; F115-Y122 WeakPolarHBondContact O-CA 3.48Å; F115-Y122 WeakPolarHBondContact O-CB 3.48Å; F115-Y122 PolarHBondContact O-N 2.87Å; K120-Y122 PolarHBondContact O-N 3.38Å; Y122-A135 WeakPolarHBondContact O-CB 3.49Å; Y122-A135 PolarHBondContact O-N 2.88Å; Y122-A139 HydrophobicContact CD2-CB 3.69Å; Y122-A139 VanDerWaalsContact CE2-CA 3.41Å; Y122-A139 HydrophobicContact CE2-CB 3.56Å; Y122-A139 HydrophobicContact CG-CB 4.28Å; Y122-A139 WeakPolarHBondContact O-CB 3.34Å; Y122-T142 HydrophobicContact CE1-CG2 4.36Å; Y122-T142 PolarHBondContact OH-OG1 2.87Å
123I98.6Very high97.6Very high3 Ų359.9 Ų59.92%0.01533%0.333CS..EExtended strand (participates in β ladder)trans-151.2141.9178.2-164.3173000110.4F115 W132 T133 T142 Q143 W146F115-I123 HydrophobicContact CB-CG2 3.99Å; F115-I123 HydrophobicContact CD2-CG2 3.84Å; F115-I123 HydrophobicContact CG-CG2 4.12Å; F115-I123 PolarHBondContact N-O 3.2Å; F115-I123 PolarHBondContact O-N 3.23Å; I123-W132 HydrophobicContact CD1-CB 4.04Å; I123-W132 HydrophobicContact CD1-CD2 4.48Å; I123-W132 HydrophobicContact CD1-CE3 4.3Å; I123-W132 HydrophobicContact CD1-CG 4.4Å; I123-W132 HydrophobicContact CG1-CB 4.18Å; I123-W132 HydrophobicContact CG1-CE3 4.05Å; I123-T133 WeakPolarHBondContact CA-O 3.22Å; I123-T133 WeakPolarHBondContact CG1-O 3.44Å; I123-T142 HydrophobicContact CD1-CG2 4.19Å; I123-Q143 HydrophobicContact CD1-CB 3.81Å; I123-Q143 HydrophobicContact CD1-CG 4.48Å; I123-W146 HydrophobicContact CD1-CE3 4.34Å; I123-W146 HydrophobicContact CD1-CZ3 4.44Å; I123-W146 HydrophobicContact CG2-CH2 4.26Å; I123-W146 HydrophobicContact CG2-CZ3 3.99Å
124A98.6Very high97.6Very high29 Ų2959 Ų5924%0.2433%0.332CS..EExtended strand (participates in β ladder)trans-135.1140.2-179.100000111.8Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 4.34Å; Q114-A124 HydrophobicContact CG-CB 3.96Å; A124-W132 VanDerWaalsContact C-CE3 3.45Å; A124-W132 CarbonylContact O-C 3.57Å; A124-W132 WeakPolarHBondContact O-CA 3.46Å; A124-T133 PolarHBondContact N-O 2.93Å; A124-T133 PolarHBondContact O-N 2.79Å
125L98.1Very high97.6Very high35 Ų3558.2 Ų58.218%0.18334%0.338CS..EExtended strand (participates in β ladder)trans-71.5131170.5-174.469.4000108.9N113 L129 W132N113-L125 HydrophobicContact CB-CB 3.91Å; N113-L125 HydrophobicContact CB-CD2 4.11Å; N113-L125 WeakPolarHBondContact O-CB 3.44Å; N113-L125 PolarHBondContact O-N 3.08Å; L125-L129 HydrophobicContact CD2-CB 4.45Å; L125-L129 HydrophobicContact CD2-CD2 3.87Å; L125-L129 HydrophobicContact CG-CD2 4.5Å; L125-W132 HydrophobicContact CB-CD2 4.47Å; L125-W132 HydrophobicContact CB-CE3 3.96Å; L125-W132 HydrophobicContact CB-CH2 3.96Å; L125-W132 HydrophobicContact CB-CZ2 4.46Å; L125-W132 HydrophobicContact CB-CZ3 3.67Å; L125-W132 HydrophobicContact CD1-CD2 4.04Å; L125-W132 HydrophobicContact CD1-CE3 4.37Å; L125-W132 HydrophobicContact CD1-CH2 4.13Å; L125-W132 HydrophobicContact CD1-CZ2 3.77Å; L125-W132 HydrophobicContact CD1-CZ3 4.4Å; L125-W132 VanDerWaalsContact N-CE3 3.32Å
126N97.8Very high97.5Very high46 Ų4659.5 Ų59.525%0.24635%0.347CS..  trans-74.3164.7178.7-66.8-31.3000111.2D128 L129 S131 T133N126-D128 PolarHBondContact O-N 2.85Å; N126-D128 VanDerWaalsContact O-N 3.12Å; N126-L129 PolarHBondContact O-N 3.06Å; N126-S131 WeakPolarHBondContact CB-O 3.12Å; N126-S131 WeakPolarHBondContact CB-OG 3.39Å; N126-S131 PolarHBondContact N-O 2.84Å; N126-S131 PolarHBondContact ND2-O 2.81Å; N126-S131 PolarHBondContact ND2-OG 3.3Å; N126-T133 PolarHBondContact ND2-OG1 3.43Å; N126-T133 PolarHBondContact OD1-OG1 3.34Å
127E96.1Very high97.5Very high136 Ų13663.9 Ų63.964%0.63637%0.371SS*.THydrogen-bonded Turntrans-62.8-20-178.2-65.1-178.1-174.300113.4R110 L129R110-E127 IonicContact CZ-OE1 3.57Å; R110-E127 IonicContact NH1-OE1 3.74Å; R110-E127 PolarHBondContact NH1-OE1 2.94Å; R110-E127 IonicContact NH2-OE1 3.8Å; R110-E127 PolarHBondContact NH2-OE1 2.68Å; E127-L129 PolarHBondContact O-N 3.08Å
128D95.8Very high97.5Very high92 Ų9264 Ų6449%0.49237%0.374SS..THydrogen-bonded Turntrans-72.4-5.5172.969.312.5000113.9N126 S130 S131N126-D128 PolarHBondContact O-N 2.85Å; N126-D128 VanDerWaalsContact O-N 3.12Å; D128-S130 VanDerWaalsContact CG-OG 3.28Å; D128-S130 PolarHBondContact O-N 3.4Å; D128-S130 VanDerWaalsContact O-N 3.08Å; D128-S130 PolarHBondContact OD1-N 3.31Å; D128-S130 PolarHBondContact OD1-OG 2.83Å; D128-S130 PolarHBondContact OD2-OG 2.97Å; D128-S131 VanDerWaalsContact CG-OG 3.24Å; D128-S131 PolarHBondContact OD1-N 3.38Å; D128-S131 PolarHBondContact OD1-OG 2.98Å; D128-S131 VanDerWaalsContact OD1-OG 3.13Å; D128-S131 WeakPolarHBondContact OD2-CB 3.49Å; D128-S131 PolarHBondContact OD2-OG 3.22Å
129L95Very high97.5Very high82 Ų8261.1 Ų61.143%0.42936%0.359SS..SBendtrans5521.8-178.5-52.1-179.3000114.7L108 L125 N126 E127L108-L129 HydrophobicContact CD2-CD1 4.4Å; L125-L129 HydrophobicContact CD2-CB 4.45Å; L125-L129 HydrophobicContact CD2-CD2 3.87Å; L125-L129 HydrophobicContact CG-CD2 4.5Å; N126-L129 PolarHBondContact O-N 3.06Å; E127-L129 PolarHBondContact O-N 3.08Å
130S93.2Very high97.5Very high87 Ų8761.4 Ų61.461%0.60834%0.344SS*.SBendtrans-137.2-23.9-175.165.30000114D128D128-S130 VanDerWaalsContact CG-OG 3.28Å; D128-S130 PolarHBondContact O-N 3.4Å; D128-S130 VanDerWaalsContact O-N 3.08Å; D128-S130 PolarHBondContact OD1-N 3.31Å; D128-S130 PolarHBondContact OD1-OG 2.83Å; D128-S130 PolarHBondContact OD2-OG 2.97Å
131S94.9Very high97.5Very high35 Ų3556.7 Ų56.725%0.24533%0.326CS..  trans-114.3158.2177.868.80000111.8N126 D128N126-S131 WeakPolarHBondContact CB-O 3.12Å; N126-S131 WeakPolarHBondContact CB-OG 3.39Å; N126-S131 PolarHBondContact N-O 2.84Å; N126-S131 PolarHBondContact ND2-O 2.81Å; N126-S131 PolarHBondContact ND2-OG 3.3Å; D128-S131 VanDerWaalsContact CG-OG 3.24Å; D128-S131 PolarHBondContact OD1-N 3.38Å; D128-S131 PolarHBondContact OD1-OG 2.98Å; D128-S131 VanDerWaalsContact OD1-OG 3.13Å; D128-S131 WeakPolarHBondContact OD2-CB 3.49Å; D128-S131 PolarHBondContact OD2-OG 3.22Å
132W97.9Very high97.4Very high34 Ų3450.9 Ų50.913%0.12930%0.295CS..EExtended strand (participates in β ladder)trans-120144.7-177.1-64.387.7000110.6N113 F115 I123 A124 L125 Q143 W146N113-W132 HydrophobicContact CB-CH2 4.28Å; N113-W132 HydrophobicContact CB-CZ3 4.49Å; F115-W132 HydrophobicContact CE2-CZ3 4.4Å; I123-W132 HydrophobicContact CD1-CB 4.04Å; I123-W132 HydrophobicContact CD1-CD2 4.48Å; I123-W132 HydrophobicContact CD1-CE3 4.3Å; I123-W132 HydrophobicContact CD1-CG 4.4Å; I123-W132 HydrophobicContact CG1-CB 4.18Å; I123-W132 HydrophobicContact CG1-CE3 4.05Å; A124-W132 VanDerWaalsContact C-CE3 3.45Å; A124-W132 CarbonylContact O-C 3.57Å; A124-W132 WeakPolarHBondContact O-CA 3.46Å; L125-W132 HydrophobicContact CB-CD2 4.47Å; L125-W132 HydrophobicContact CB-CE3 3.96Å; L125-W132 HydrophobicContact CB-CH2 3.96Å; L125-W132 HydrophobicContact CB-CZ2 4.46Å; L125-W132 HydrophobicContact CB-CZ3 3.67Å; L125-W132 HydrophobicContact CD1-CD2 4.04Å; L125-W132 HydrophobicContact CD1-CE3 4.37Å; L125-W132 HydrophobicContact CD1-CH2 4.13Å; L125-W132 HydrophobicContact CD1-CZ2 3.77Å; L125-W132 HydrophobicContact CD1-CZ3 4.4Å; L125-W132 VanDerWaalsContact N-CE3 3.32Å; W132-Q143 HydrophobicContact CB-CG 4.19Å; W132-Q143 PolarHBondContact O-NE2 3.13Å; W132-W146 AromaticContact CD2-CE3 3.88Å; W132-W146 HydrophobicContact CD2-CE3 3.88Å; W132-W146 HydrophobicContact CD2-CZ3 4.2Å; W132-W146 AromaticContact CE2-CE3 3.67Å; W132-W146 HydrophobicContact CE3-CE3 4.01Å; W132-W146 AromaticContact CE3-CZ3 3.84Å; W132-W146 HydrophobicContact CE3-CZ3 3.84Å; W132-W146 AromaticContact CH2-CE3 3.79Å; W132-W146 HydrophobicContact CH2-CE3 3.79Å; W132-W146 AromaticContact CH2-CZ3 3.46Å; W132-W146 HydrophobicContact CH2-CZ3 3.46Å; W132-W146 VanDerWaalsContact CH2-CZ3 3.46Å; W132-W146 AromaticContact CZ2-CE3 3.63Å; W132-W146 HydrophobicContact CZ2-CE3 3.63Å; W132-W146 AromaticContact CZ2-CZ3 3.83Å; W132-W146 HydrophobicContact CZ2-CZ3 3.83Å; W132-W146 AromaticContact CZ3-CE3 3.99Å; W132-W146 HydrophobicContact CZ3-CE3 3.99Å; W132-W146 AromaticContact CZ3-CZ3 3.48Å; W132-W146 HydrophobicContact CZ3-CZ3 3.48Å; W132-W146 VanDerWaalsContact CZ3-CZ3 3.48Å
133T98.3Very high97.4Very high76 Ų7652.4 Ų52.447%0.46630%0.303SS..EExtended strand (participates in β ladder)trans-107.5117.8169.1-66.10000109.2I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.22Å; I123-T133 WeakPolarHBondContact CG1-O 3.44Å; A124-T133 PolarHBondContact N-O 2.93Å; A124-T133 PolarHBondContact O-N 2.79Å; N126-T133 PolarHBondContact ND2-OG1 3.43Å; N126-T133 PolarHBondContact OD1-OG1 3.34Å
134A98.6Very high97.3Very high23 Ų2359.5 Ų59.519%0.1933%0.329CS..EExtended strand (participates in β ladder)trans-91.9132.8175.100000110.5A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.75Å; A134-Q140 HydrophobicContact CB-CG 3.95Å; A134-Q143 HydrophobicContact CB-CB 4.33Å
135A98.4Very high97.1Very high59 Ų5963.7 Ų63.749%0.48834%0.342SS..SBendtrans-75.6-29.9-176.900000113.2D121 Y122D121-A135 HydrophobicContact CB-CB 4.11Å; D121-A135 WeakPolarHBondContact O-CB 3.04Å; Y122-A135 WeakPolarHBondContact O-CB 3.49Å; Y122-A135 PolarHBondContact O-N 2.88Å
136D98.1Very high96.9Very high60 Ų6066.1 Ų66.132%0.32135%0.349SS..SBendtrans-149.7-177.8179.868.925.6000113.5Y84 A138 A139 Q140Y84-D136 WeakPolarHBondContact CE1-OD2 3.37Å; Y84-D136 PolarHBondContact OH-OD1 3.2Å; Y84-D136 PolarHBondContact OH-OD2 3.43Å; D136-A138 VanDerWaalsContact C-N 3.3Å; D136-A138 PolarHBondContact O-N 3.2Å; D136-A138 WeakPolarHBondContact OD1-CA 3.2Å; D136-A138 WeakPolarHBondContact OD1-CB 3.25Å; D136-A138 PolarHBondContact OD1-N 2.94Å; D136-A139 PolarHBondContact O-N 2.99Å; D136-A139 PolarHBondContact OD1-N 3.01Å; D136-Q140 WeakPolarHBondContact O-CG 3.37Å; D136-Q140 PolarHBondContact O-N 3.24Å; D136-Q140 VanDerWaalsContact O-N 3.1Å
137T97.8Very high96.7Very high109 Ų10966.7 Ų66.767%0.66935%0.35SS*.THydrogen-bonded Turntrans-62.8-32.5-178.9-50.90000113.2Q140T137-Q140 PolarHBondContact O-N 3.3Å
138A97.8Very high96.4Very high11 Ų1162.2 Ų62.29%0.09134%0.336CS..THydrogen-bonded Turntrans-70.8-42.6176.900000110.1Y84 D136 Q140 I141Y84-A138 HydrophobicContact CD1-CB 4Å; Y84-A138 HydrophobicContact CD2-CB 4.4Å; Y84-A138 HydrophobicContact CE1-CB 3.53Å; Y84-A138 HydrophobicContact CE2-CB 3.95Å; Y84-A138 HydrophobicContact CG-CB 4.42Å; D136-A138 VanDerWaalsContact C-N 3.3Å; D136-A138 PolarHBondContact O-N 3.2Å; D136-A138 WeakPolarHBondContact OD1-CA 3.2Å; D136-A138 WeakPolarHBondContact OD1-CB 3.25Å; D136-A138 PolarHBondContact OD1-N 2.94Å; A138-Q140 VanDerWaalsContact C-N 3.26Å; A138-Q140 PolarHBondContact O-N 3.22Å; A138-I141 VanDerWaalsContact O-CB 3.25Å; A138-I141 WeakPolarHBondContact O-CB 3.42Å; A138-I141 WeakPolarHBondContact O-CG1 3.48Å; A138-I141 PolarHBondContact O-N 3.3Å
139A98.3Very high96.1Very high0 Ų060.5 Ų60.50%034%0.335CS..Hα-helixtrans-60.7-31.6174.900000113.7Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD2-CB 3.69Å; Y122-A139 VanDerWaalsContact CE2-CA 3.41Å; Y122-A139 HydrophobicContact CE2-CB 3.56Å; Y122-A139 HydrophobicContact CG-CB 4.28Å; Y122-A139 WeakPolarHBondContact O-CB 3.34Å; A134-A139 HydrophobicContact CB-CB 3.75Å; D136-A139 PolarHBondContact O-N 2.99Å; D136-A139 PolarHBondContact OD1-N 3.01Å; A139-I141 PolarHBondContact O-N 3.41Å; A139-T142 WeakPolarHBondContact O-CB 3.41Å; A139-T142 PolarHBondContact O-N 2.7Å; A139-Q143 PolarHBondContact O-N 3.25Å
140Q98.3Very high95.5Very high67 Ų6760.5 Ų60.531%0.31334%0.338SS..Hα-helixtrans-60.7-25.5174.1-70.8177.68.500113.1A134 D136 T137 A138 R144A134-Q140 HydrophobicContact CB-CG 3.95Å; D136-Q140 WeakPolarHBondContact O-CG 3.37Å; D136-Q140 PolarHBondContact O-N 3.24Å; D136-Q140 VanDerWaalsContact O-N 3.1Å; T137-Q140 PolarHBondContact O-N 3.3Å; A138-Q140 VanDerWaalsContact C-N 3.26Å; A138-Q140 PolarHBondContact O-N 3.22Å; Q140-R144 VanDerWaalsContact O-CG 3.28Å; Q140-R144 WeakPolarHBondContact O-CG 3.39Å; Q140-R144 PolarHBondContact O-N 2.94Å; Q140-R144 VanDerWaalsContact O-N 3.08Å; Q140-R144 VanDerWaalsContact OE1-NH2 3.15Å
141I97.8Very high94.7Very high62 Ų6265.2 Ų65.232%0.31834%0.342SS..Hα-helixtrans-64-45.5173.9-58170.5000109.6Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 3.98Å; Y83-I141 HydrophobicContact CD1-CG2 4.46Å; Y83-I141 HydrophobicContact CE1-CD1 4.43Å; Y83-I141 HydrophobicContact CE1-CG2 3.87Å; Y83-I141 HydrophobicContact CE2-CB 4.35Å; Y83-I141 HydrophobicContact CE2-CG2 4.14Å; Y83-I141 HydrophobicContact CG-CD1 4.04Å; A138-I141 VanDerWaalsContact O-CB 3.25Å; A138-I141 WeakPolarHBondContact O-CB 3.42Å; A138-I141 WeakPolarHBondContact O-CG1 3.48Å; A138-I141 PolarHBondContact O-N 3.3Å; A139-I141 PolarHBondContact O-N 3.41Å; I141-K145 WeakPolarHBondContact O-CG 3.38Å; I141-K145 PolarHBondContact O-N 3.19Å
142T97.3Very high93.4Very high15 Ų1574 Ų749%0.09237%0.37CS..Hα-helixtrans-65.1-47.2175.7-68.20000111.2Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.36Å; Y122-T142 PolarHBondContact OH-OG1 2.87Å; I123-T142 HydrophobicContact CD1-CG2 4.19Å; A139-T142 WeakPolarHBondContact O-CB 3.41Å; A139-T142 PolarHBondContact O-N 2.7Å; T142-R144 PolarHBondContact O-N 2.73Å; T142-K145 WeakPolarHBondContact O-CB 3.17Å; T142-K145 PolarHBondContact O-N 2.84Å; T142-K145 VanDerWaalsContact O-N 3.11Å; T142-W146 HydrophobicContact CG2-CD2 3.68Å; T142-W146 VanDerWaalsContact CG2-CE2 3.43Å; T142-W146 HydrophobicContact CG2-CE3 4.06Å; T142-W146 HydrophobicContact CG2-CG 4.22Å; T142-W146 HydrophobicContact CG2-CH2 4.01Å; T142-W146 HydrophobicContact CG2-CZ2 3.63Å; T142-W146 HydrophobicContact CG2-CZ3 4.2Å; T142-W146 PolarHBondContact O-N 3.18Å
143Q97.7Very high91.4Very high39 Ų3977 Ų7718%0.18240%0.397CS..Hα-helixtrans-51.5-53.2179-175.7-175.234.200111.9I123 W132 A134 A139 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.81Å; I123-Q143 HydrophobicContact CD1-CG 4.48Å; W132-Q143 HydrophobicContact CB-CG 4.19Å; W132-Q143 PolarHBondContact O-NE2 3.13Å; A134-Q143 HydrophobicContact CB-CB 4.33Å; A139-Q143 PolarHBondContact O-N 3.25Å; Q143-K145 VanDerWaalsContact C-N 3.31Å; Q143-K145 PolarHBondContact O-N 3.19Å; Q143-W146 PolarHBondContact O-N 3.23Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.2Å; Q143-E147 WeakPolarHBondContact O-CG 3.26Å; Q143-E147 PolarHBondContact O-N 3.08Å
144R97Very high89.2Confident153 Ų15380.4 Ų80.458%0.57742%0.423SS*.Hα-helixtrans-61.5-38-179.7-67.7171.6-164.2162.48.7112.5Q140 T142 A148Q140-R144 VanDerWaalsContact O-CG 3.28Å; Q140-R144 WeakPolarHBondContact O-CG 3.39Å; Q140-R144 PolarHBondContact O-N 2.94Å; Q140-R144 VanDerWaalsContact O-N 3.08Å; Q140-R144 VanDerWaalsContact OE1-NH2 3.15Å; T142-R144 PolarHBondContact O-N 2.73Å; R144-A148 VanDerWaalsContact O-CB 3.24Å; R144-A148 WeakPolarHBondContact O-CB 3.48Å; R144-A148 PolarHBondContact O-N 3.48Å; R144-A148 VanDerWaalsContact O-N 3.11Å
145K94.7Very high88.7Confident117 Ų11783.3 Ų83.351%0.50944%0.435SS..Hα-helixtrans-64.4-44.9176.8-75.9177.4176.6-175.50111.4Y83 I141 T142 Q143 A149Y83-K145 PolarHBondContact OH-NZ 2.79Å; I141-K145 WeakPolarHBondContact O-CG 3.38Å; I141-K145 PolarHBondContact O-N 3.19Å; T142-K145 WeakPolarHBondContact O-CB 3.17Å; T142-K145 PolarHBondContact O-N 2.84Å; T142-K145 VanDerWaalsContact O-N 3.11Å; Q143-K145 VanDerWaalsContact C-N 3.31Å; Q143-K145 PolarHBondContact O-N 3.19Å; K145-A149 PolarHBondContact O-N 3.01Å; K145-A149 VanDerWaalsContact O-N 3.13Å
146W94.4Very high88.2Confident86 Ų8684.5 Ų84.533%0.32643%0.432SS..Hα-helixtrans-70.6-44.7-177.9-70.3-0.3000112.2F115 I123 W132 T142 Q143 A148 A149 V150F115-W146 HydrophobicContact CD2-CH2 4.04Å; F115-W146 HydrophobicContact CD2-CZ3 4.35Å; F115-W146 HydrophobicContact CE1-CH2 4.32Å; F115-W146 AromaticContact CE2-CH2 3.53Å; F115-W146 HydrophobicContact CE2-CH2 3.53Å; F115-W146 AromaticContact CE2-CZ3 3.93Å; F115-W146 HydrophobicContact CE2-CZ3 3.93Å; F115-W146 AromaticContact CZ-CH2 3.71Å; F115-W146 HydrophobicContact CZ-CH2 3.71Å; I123-W146 HydrophobicContact CD1-CE3 4.34Å; I123-W146 HydrophobicContact CD1-CZ3 4.44Å; I123-W146 HydrophobicContact CG2-CH2 4.26Å; I123-W146 HydrophobicContact CG2-CZ3 3.99Å; W132-W146 AromaticContact CD2-CE3 3.88Å; W132-W146 HydrophobicContact CD2-CE3 3.88Å; W132-W146 HydrophobicContact CD2-CZ3 4.2Å; W132-W146 AromaticContact CE2-CE3 3.67Å; W132-W146 HydrophobicContact CE3-CE3 4.01Å; W132-W146 AromaticContact CE3-CZ3 3.84Å; W132-W146 HydrophobicContact CE3-CZ3 3.84Å; W132-W146 AromaticContact CH2-CE3 3.79Å; W132-W146 HydrophobicContact CH2-CE3 3.79Å; W132-W146 AromaticContact CH2-CZ3 3.46Å; W132-W146 HydrophobicContact CH2-CZ3 3.46Å; W132-W146 VanDerWaalsContact CH2-CZ3 3.46Å; W132-W146 AromaticContact CZ2-CE3 3.63Å; W132-W146 HydrophobicContact CZ2-CE3 3.63Å; W132-W146 AromaticContact CZ2-CZ3 3.83Å; W132-W146 HydrophobicContact CZ2-CZ3 3.83Å; W132-W146 AromaticContact CZ3-CE3 3.99Å; W132-W146 HydrophobicContact CZ3-CE3 3.99Å; W132-W146 AromaticContact CZ3-CZ3 3.48Å; W132-W146 HydrophobicContact CZ3-CZ3 3.48Å; W132-W146 VanDerWaalsContact CZ3-CZ3 3.48Å; T142-W146 HydrophobicContact CG2-CD2 3.68Å; T142-W146 VanDerWaalsContact CG2-CE2 3.43Å; T142-W146 HydrophobicContact CG2-CE3 4.06Å; T142-W146 HydrophobicContact CG2-CG 4.22Å; T142-W146 HydrophobicContact CG2-CH2 4.01Å; T142-W146 HydrophobicContact CG2-CZ2 3.63Å; T142-W146 HydrophobicContact CG2-CZ3 4.2Å; T142-W146 PolarHBondContact O-N 3.18Å; Q143-W146 PolarHBondContact O-N 3.23Å; W146-A148 VanDerWaalsContact C-N 3.29Å; W146-A148 PolarHBondContact O-N 2.91Å; W146-A149 WeakPolarHBondContact O-CB 3.39Å; W146-A149 PolarHBondContact O-N 3.2Å; W146-A149 VanDerWaalsContact O-N 3.11Å; W146-V150 WeakPolarHBondContact O-CG2 3.49Å; W146-V150 PolarHBondContact O-N 3.49Å
147E92.4Very high87.7Confident58 Ų5885.9 Ų85.927%0.27144%0.438SS..Hα-helixtrans-61.1-38.6175.4-70.8176.7178.600112.2Q143 A149 V150 R151Q143-E147 WeakPolarHBondContact CG-OE1 3.2Å; Q143-E147 WeakPolarHBondContact O-CG 3.26Å; Q143-E147 PolarHBondContact O-N 3.08Å; E147-A149 VanDerWaalsContact C-N 3.34Å; E147-V150 PolarHBondContact O-N 3.12Å; E147-R151 WeakPolarHBondContact O-CG 3.4Å; E147-R151 PolarHBondContact O-N 3.06Å; E147-R151 VanDerWaalsContact O-N 3.14Å
148A91.6Very high87.1Confident41 Ų4184.5 Ų84.534%0.33942%0.424SS..Hα-helixtrans-66.2-35.1175.400000112.7R144 W146 R152R144-A148 VanDerWaalsContact O-CB 3.24Å; R144-A148 WeakPolarHBondContact O-CB 3.48Å; R144-A148 PolarHBondContact O-N 3.48Å; R144-A148 VanDerWaalsContact O-N 3.11Å; W146-A148 VanDerWaalsContact C-N 3.29Å; W146-A148 PolarHBondContact O-N 2.91Å; A148-R152 VanDerWaalsContact O-CG 3.31Å; A148-R152 WeakPolarHBondContact O-CG 3.44Å; A148-R152 PolarHBondContact O-N 3.39Å
149A88.4Confident86.4Confident56 Ų5689.1 Ų89.146%0.46345%0.445SS..Hα-helixtrans-68.8-41.3177.100000112.1K145 W146 E147 R152 S153K145-A149 PolarHBondContact O-N 3.01Å; K145-A149 VanDerWaalsContact O-N 3.13Å; W146-A149 WeakPolarHBondContact O-CB 3.39Å; W146-A149 PolarHBondContact O-N 3.2Å; W146-A149 VanDerWaalsContact O-N 3.11Å; E147-A149 VanDerWaalsContact C-N 3.34Å; A149-R152 PolarHBondContact O-N 3.07Å; A149-S153 PolarHBondContact O-N 3.07Å; A149-S153 PolarHBondContact O-OG 3.3Å
150V81.6Confident85.6Confident82 Ų8295.1 Ų95.150%0.49748%0.475SS..Hα-helixtrans-60.1-46.9174.6174.70000110.8W146 E147 R152 S153 S154W146-V150 WeakPolarHBondContact O-CG2 3.49Å; W146-V150 PolarHBondContact O-N 3.49Å; E147-V150 PolarHBondContact O-N 3.12Å; V150-R152 PolarHBondContact O-N 2.95Å; V150-S153 PolarHBondContact O-N 3.28Å; V150-S153 VanDerWaalsContact O-N 3.07Å; V150-S153 PolarHBondContact O-OG 3.12Å; V150-S154 PolarHBondContact O-N 3.18Å; V150-S154 PolarHBondContact O-OG 2.88Å
151R76.3Confident84.7Confident186 Ų18697.1 Ų97.170%0.70249%0.487SS*.Hα-helixtrans-62.3-26.8178.4-69.9-179.8-160.7176.77.6114.3E147 S153E147-R151 WeakPolarHBondContact O-CG 3.4Å; E147-R151 PolarHBondContact O-N 3.06Å; E147-R151 VanDerWaalsContact O-N 3.14Å; R151-S153 VanDerWaalsContact C-N 3.34Å
152R68.3Low83.7Confident220 Ų22099.8 Ų99.883%0.8350%0.5SS*.Hα-helixtrans-82.2-14178.4-73.1173.9-177.7-168.90.9113.4A148 A149 V150A148-R152 VanDerWaalsContact O-CG 3.31Å; A148-R152 WeakPolarHBondContact O-CG 3.44Å; A148-R152 PolarHBondContact O-N 3.39Å; A149-R152 PolarHBondContact O-N 3.07Å; V150-R152 PolarHBondContact O-N 2.95Å
153S57Low82.6Confident98 Ų98106.8 Ų106.869%0.68553%0.534SS*.Hα-helixtrans-105.6-3.8-179.447.70000113.3A149 V150 R151A149-S153 PolarHBondContact O-N 3.07Å; A149-S153 PolarHBondContact O-OG 3.3Å; V150-S153 PolarHBondContact O-N 3.28Å; V150-S153 VanDerWaalsContact O-N 3.07Å; V150-S153 PolarHBondContact O-OG 3.12Å; R151-S153 VanDerWaalsContact C-N 3.34Å
154S51.4Low81.2Confident146 Ų146113 Ų113100%1.02157%0.565SS**  trans-970173.3-49.90000110.3V150V150-S154 PolarHBondContact O-N 3.18Å; V150-S154 PolarHBondContact O-OG 2.88Å

Retrieved 154 of 154 residues in 317.4 ms (Link to these results)

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