A0A060VCP6_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VCP6, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 181 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
1S83.9Confident93.5Very high93 Ų9333.1 Ų33.165%0.6518%0.181SC*.  0147.40-52.50000108.3L102 P104S1-L102 CarbonylContact C-O 3.55Å; S1-L102 WeakPolarHBondContact CA-O 3.02Å; S1-L102 VanDerWaalsContact CB-O 3.31Å; S1-L102 WeakPolarHBondContact CB-O 3.4Å; S1-P104 WeakPolarHBondContact OG-CD 3.24Å
2H86.8Confident93.8Very high47 Ų4731.9 Ų31.922%0.21818%0.177CC..EExtended strand (participates in β ladder)trans-139158-179.1-66.6-76.1000109.9D28 L102H2-D28 WeakPolarHBondContact CA-OD1 3.16Å; H2-D28 WeakPolarHBondContact CB-OD1 3.34Å; H2-D28 IonicContact CE1-OD2 2.98Å; H2-D28 IonicContact CG-OD1 3.45Å; H2-D28 IonicContact CG-OD2 2.76Å; H2-D28 IonicContact ND1-OD1 2.62Å; H2-D28 IonicContact ND1-OD2 3.56Å; H2-D28 PolarHBondContact ND1-OD2 3.01Å; H2-L102 PolarHBondContact N-O 2.63Å; H2-L102 PolarHBondContact O-N 2.64Å
3S89.9Confident93.8Very high19 Ų1934.2 Ų34.213%0.13318%0.181CC..EExtended strand (participates in β ladder)trans-133.6149.4173.571.50000112.1R5 V27 D28 C100 D101S3-R5 PolarHBondContact OG-NH1 2.91Å; S3-V27 WeakPolarHBondContact O-CA 3.46Å; S3-D28 PolarHBondContact N-OD1 3.48Å; S3-D28 PolarHBondContact O-N 2.81Å; S3-C100 WeakPolarHBondContact CA-O 3.23Å; S3-D101 VanDerWaalsContact CB-OD1 3.23Å; S3-D101 WeakPolarHBondContact CB-OD1 3.34Å
4M90.1Very high93.5Very high3 Ų335.3 Ų35.32%0.01519%0.191CC..EExtended strand (participates in β ladder)trans-133.9127.7173.7-179.6176.8-77.900109.3Y6 Y26 V27 F32 G99 C100 W171 R177 C178M4-Y6 HydrophobicContact CG-CD2 4.43Å; M4-Y6 HydrophobicContact CG-CE2 4.03Å; M4-Y6 HydrophobicContact SD-CE2 3.96Å; M4-Y26 VanDerWaalsContact CA-O 3.31Å; M4-Y26 WeakPolarHBondContact CA-O 3.33Å; M4-V27 HydrophobicContact CE-CG2 3.59Å; M4-V27 HydrophobicContact CG-CG2 4.5Å; M4-F32 HydrophobicContact CE-CZ 4.39Å; M4-G99 CarbonylContact O-C 3.56Å; M4-G99 WeakPolarHBondContact O-CA 3.5Å; M4-C100 PolarHBondContact N-O 2.63Å; M4-C100 PolarHBondContact O-N 2.87Å; M4-W171 HydrophobicContact CE-CE3 3.87Å; M4-W171 HydrophobicContact CE-CZ3 3.92Å; M4-W171 HydrophobicContact SD-CZ3 4.1Å; M4-R177 HydrophobicContact CE-CB 4.42Å; M4-R177 HydrophobicContact CE-CG 4.2Å; M4-R177 VanDerWaalsContact SD-CA 3.58Å; M4-R177 HydrophobicContact SD-CB 3.75Å; M4-R177 HydrophobicContact SD-CG 4.02Å; M4-C178 PolarHBondContact SD-N 3.41Å; M4-C178 VanDerWaalsContact SD-N 3.44Å
5R92.4Very high93.1Very high52 Ų5239 Ų3920%0.19624%0.241CC..EExtended strand (participates in β ladder)trans-133.4140.5-179.5-68.5179.5175.372.915.3110.7S3 F7 G25 Y26 M97 S98 D101 Y112S3-R5 PolarHBondContact OG-NH1 2.91Å; R5-F7 HydrophobicContact CB-CE2 3.75Å; R5-F7 HydrophobicContact CB-CZ 4.14Å; R5-G25 CarbonylContact O-C 3.57Å; R5-G25 WeakPolarHBondContact O-CA 3.27Å; R5-Y26 PolarHBondContact N-O 2.8Å; R5-Y26 PolarHBondContact O-N 2.67Å; R5-M97 HydrophobicContact CG-SD 4.44Å; R5-S98 CarbonylContact C-O 3.43Å; R5-S98 WeakPolarHBondContact CA-O 3.39Å; R5-D101 IonicContact CZ-OD1 3.92Å; R5-D101 IonicContact NH1-OD1 3.81Å; R5-D101 IonicContact NH2-OD1 2.8Å; R5-D101 PolarHBondContact NH2-OD1 2.81Å; R5-D101 IonicContact NH2-OD2 3.55Å; R5-Y112 PolarHBondContact NH2-OH 2.56Å
6Y94.2Very high92.8Very high0 Ų049.5 Ų49.50%028%0.275CS..EExtended strand (participates in β ladder)trans-119.6138.6168.7-76.3-96.6000109.1M4 V24 F32 V33 M97 S98 R177 S179 Q181M4-Y6 HydrophobicContact CG-CD2 4.43Å; M4-Y6 HydrophobicContact CG-CE2 4.03Å; M4-Y6 HydrophobicContact SD-CE2 3.96Å; Y6-V24 CarbonylContact C-O 3.57Å; Y6-V24 VanDerWaalsContact CA-O 3.28Å; Y6-V24 WeakPolarHBondContact CA-O 3.49Å; Y6-F32 HydrophobicContact CE2-CZ 4.48Å; Y6-F32 AromaticContact CZ-CZ 3.9Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.18Å; Y6-V33 HydrophobicContact CE1-CG2 3.88Å; Y6-M97 WeakPolarHBondContact O-CA 3.14Å; Y6-S98 PolarHBondContact N-O 2.91Å; Y6-S98 PolarHBondContact O-N 3.46Å; Y6-R177 WeakPolarHBondContact OH-CD 3.36Å; Y6-R177 PolarHBondContact OH-NH1 2.73Å; Y6-S179 VanDerWaalsContact CE2-CB 3.45Å; Y6-Q181 VanDerWaalsContact CB-NE2 3.35Å
7F97.6Very high92.5Very high80 Ų8050.2 Ų50.235%0.35130%0.296SS..EExtended strand (participates in β ladder)trans-121.4112.8174.5-56.7-96.5000108.1R5 S23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CE2 3.75Å; R5-F7 HydrophobicContact CB-CZ 4.14Å; F7-S23 WeakPolarHBondContact O-CA 3.45Å; F7-V24 HydrophobicContact CB-CG2 3.78Å; F7-V24 HydrophobicContact CD2-CG2 4.23Å; F7-V24 HydrophobicContact CG-CG2 4.44Å; F7-V24 PolarHBondContact N-O 3.22Å; F7-V24 PolarHBondContact O-N 2.98Å; F7-Y26 AromaticContact CD2-CD2 3.86Å; F7-Y26 HydrophobicContact CD2-CD2 3.86Å; F7-Y26 AromaticContact CD2-CE2 3.98Å; F7-Y26 HydrophobicContact CD2-CE2 3.98Å; F7-Y26 AromaticContact CE2-CD2 3.78Å; F7-Y26 HydrophobicContact CE2-CD2 3.78Å; F7-Y26 HydrophobicContact CE2-CE2 4.09Å; F7-R96 WeakPolarHBondContact CA-O 3.41Å; F7-M97 HydrophobicContact CD1-CB 4.06Å; F7-M97 HydrophobicContact CD1-CG 3.75Å; F7-M97 HydrophobicContact CE1-CB 4.14Å; F7-M97 HydrophobicContact CE1-CG 3.42Å; F7-M97 VanDerWaalsContact CE1-CG 3.42Å; F7-M97 HydrophobicContact CZ-CG 3.99Å
8D98.3Very high92.4Very high0 Ų052.2 Ų52.20%030%0.302CS..EExtended strand (participates in β ladder)trans-99.7137.1173.9-63.5-30.7000108.3F21 I22 S23 Q95 R96 Q181D8-F21 HydrophobicContact CB-CE2 3.85Å; D8-F21 HydrophobicContact CB-CZ 4.13Å; D8-I22 CarbonylContact C-O 3.46Å; D8-I22 WeakPolarHBondContact CA-O 3.24Å; D8-S23 WeakPolarHBondContact OD1-CB 3.46Å; D8-S23 PolarHBondContact OD1-OG 3.35Å; D8-Q95 CarbonylContact O-C 3.49Å; D8-Q95 VanDerWaalsContact O-CA 3.29Å; D8-Q95 WeakPolarHBondContact O-CA 3.45Å; D8-R96 HydrophobicContact CB-CB 4.3Å; D8-R96 PolarHBondContact N-O 2.94Å; D8-R96 PolarHBondContact O-N 3.29Å; D8-Q181 PolarHBondContact OD1-NE2 3.13Å; D8-Q181 PolarHBondContact OD2-NE2 3.27Å
9T98.7Very high92.6Very high30 Ų3050.9 Ų50.918%0.18430%0.296CS..EExtended strand (participates in β ladder)trans-138.6119.5177.4-63.40000108.9V11 F21 I22 T93 L94 Q95T9-V11 HydrophobicContact CG2-CG2 4.04Å; T9-F21 CarbonylContact O-C 3.5Å; T9-F21 WeakPolarHBondContact O-CA 3.36Å; T9-I22 PolarHBondContact N-O 3.15Å; T9-I22 PolarHBondContact O-N 3.11Å; T9-T93 HydrophobicContact CG2-CG2 4Å; T9-L94 WeakPolarHBondContact CA-O 3.46Å; T9-Q95 HydrophobicContact CG2-CG 4.12Å
10A98.4Very high92.9Very high1 Ų152.7 Ų52.71%0.00830%0.297CS..EExtended strand (participates in β ladder)trans-114.5124.1175.200000109.8R20 F21 D73 L77 T93 L94A10-R20 CarbonylContact C-O 3.54Å; A10-R20 VanDerWaalsContact CA-O 3.26Å; A10-R20 WeakPolarHBondContact CA-O 3.27Å; A10-F21 HydrophobicContact CB-CD2 4.33Å; A10-D73 HydrophobicContact CB-CB 3.61Å; A10-L77 HydrophobicContact CB-CD1 3.81Å; A10-T93 WeakPolarHBondContact O-CA 3.33Å; A10-L94 PolarHBondContact N-O 3.06Å; A10-L94 PolarHBondContact O-N 2.87Å
11V98.3Very high93.1Very high39 Ų3950.2 Ų50.224%0.23628%0.283CS..EExtended strand (participates in β ladder)trans-117.5116-178.9-174.20000109.2T9 P19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 4.04Å; V11-P19 CarbonylContact O-C 3.6Å; V11-P19 WeakPolarHBondContact O-CA 3.27Å; V11-P19 WeakPolarHBondContact O-CB 3.14Å; V11-R20 PolarHBondContact N-O 3.09Å; V11-R20 PolarHBondContact O-N 2.82Å; V11-H92 CarbonylContact C-O 3.58Å; V11-H92 WeakPolarHBondContact CA-O 3.49Å; V11-T93 HydrophobicContact CG2-CG2 4.13Å
12S97Very high93.8Very high19 Ų1947.5 Ų47.513%0.13326%0.261CS..  trans-69.7141.6173.172.70000110.4S91 H92S12-S91 PolarHBondContact O-OG 2.71Å; S12-H92 PolarHBondContact N-O 2.97Å; S12-H92 PolarHBondContact OG-N 3.06Å; S12-H92 PolarHBondContact OG-O 3.29Å
13R94.4Very high94.4Very high62 Ų6245.2 Ų45.223%0.23425%0.25CS..  trans-133.280.3-176.9-57.8177.3-68.7-170.5-11110.1G15 R16 E18 D38R13-G15 PolarHBondContact O-N 3.41Å; R13-R16 HydrophobicContact CB-CB 3.93Å; R13-R16 PolarHBondContact O-N 3.4Å; R13-E18 PolarHBondContact NE-O 3.03Å; R13-E18 PolarHBondContact NH2-O 3.18Å; R13-D38 IonicContact CZ-OD1 3.7Å; R13-D38 IonicContact CZ-OD2 2.87Å; R13-D38 VanDerWaalsContact NH1-CG 3.3Å; R13-D38 IonicContact NH1-OD1 3.66Å; R13-D38 PolarHBondContact NH1-OD1 3.45Å; R13-D38 IonicContact NH1-OD2 3.16Å; R13-D38 PolarHBondContact NH1-OD2 3.41Å; R13-D38 IonicContact NH2-OD1 3.43Å; R13-D38 PolarHBondContact NH2-OD1 3.23Å; R13-D38 IonicContact NH2-OD2 3.91Å
14P89.6Confident94.7Very high49 Ų4945.3 Ų45.332%0.31825%0.25SC..THydrogen-bonded Turntrans-49.6133.1178.3-26.535000111.3R16 E88 G90P14-R16 PolarHBondContact O-N 2.83Å; P14-E88 WeakPolarHBondContact CB-O 3.27Å; P14-E88 VanDerWaalsContact CG-O 3.31Å; P14-E88 WeakPolarHBondContact CG-O 3.37Å; P14-G90 WeakPolarHBondContact CG-O 2.93Å
15G87.4Confident94.9Very high91 Ų9145.1 Ų45.194%0.93825%0.249SC*.THydrogen-bonded Turntrans71.7-0.6-177.800000116.3R13R13-G15 PolarHBondContact O-N 3.41Å
16R87.1Confident95Very high207 Ų20746 Ų4678%0.78125%0.253SS*.SBendtrans-120.218.7-179.7-55.2-173.2178.8-153.70113.8R13 P14R13-R16 HydrophobicContact CB-CB 3.93Å; R13-R16 PolarHBondContact O-N 3.4Å; P14-R16 PolarHBondContact O-N 2.83Å
17G87.6Confident94.8Very high62 Ų6246.4 Ų46.464%0.63926%0.255SS*.  trans89.5-142.1175.800000113.9
18E92.2Very high94.4Very high86 Ų8645.3 Ų45.340%0.40225%0.253SS..SBendtrans-69.3151.6-175.5-66.7-58.4149.500112.8R13 R20 R74R13-E18 PolarHBondContact NE-O 3.03Å; R13-E18 PolarHBondContact NH2-O 3.18Å; E18-R20 PolarHBondContact O-N 2.96Å; E18-R74 IonicContact OE1-CZ 3.28Å; E18-R74 IonicContact OE1-NE 3.66Å; E18-R74 IonicContact OE1-NH1 2.77Å; E18-R74 PolarHBondContact OE1-NH1 3.34Å; E18-R74 IonicContact OE1-NH2 3.67Å; E18-R74 PolarHBondContact OE1-NH2 2.8Å; E18-R74 WeakPolarHBondContact OE2-CD 3.38Å; E18-R74 IonicContact OE2-CZ 2.6Å; E18-R74 IonicContact OE2-NE 3.24Å; E18-R74 PolarHBondContact OE2-NE 3.38Å; E18-R74 IonicContact OE2-NH1 3.6Å; E18-R74 IonicContact OE2-NH2 3.12Å; E18-R74 PolarHBondContact OE2-NH2 3.29Å
19P95.9Very high94Very high28 Ų2851.7 Ų51.718%0.18229%0.287CS..PPolyproline II helixtrans-53.6139.7171.3-24.934.9000111.6V11 R74 L77V11-P19 CarbonylContact O-C 3.6Å; V11-P19 WeakPolarHBondContact O-CA 3.27Å; V11-P19 WeakPolarHBondContact O-CB 3.14Å; P19-R74 HydrophobicContact CG-CB 4.31Å; P19-R74 HydrophobicContact CG-CG 4.18Å; P19-L77 HydrophobicContact CB-CD1 3.72Å; P19-L77 HydrophobicContact CG-CD1 3.84Å
20R97.8Very high93.8Very high85 Ų8553.4 Ų53.432%0.32130%0.298SS..EExtended strand (participates in β ladder)trans-75.1128.6169.8-176.8-179.9-175.7179.9-3.5108.2A10 V11 E18 I22 D36 D38A10-R20 CarbonylContact C-O 3.54Å; A10-R20 VanDerWaalsContact CA-O 3.26Å; A10-R20 WeakPolarHBondContact CA-O 3.27Å; V11-R20 PolarHBondContact N-O 3.09Å; V11-R20 PolarHBondContact O-N 2.82Å; E18-R20 PolarHBondContact O-N 2.96Å; R20-I22 HydrophobicContact CG-CG1 4.36Å; R20-D36 IonicContact CZ-OD1 3.22Å; R20-D36 IonicContact CZ-OD2 3.18Å; R20-D36 IonicContact NE-OD1 3.61Å; R20-D36 PolarHBondContact NE-OD1 3.13Å; R20-D36 IonicContact NE-OD2 3.97Å; R20-D36 IonicContact NH2-OD1 2.67Å; R20-D36 PolarHBondContact NH2-OD1 3.25Å; R20-D36 IonicContact NH2-OD2 2.8Å; R20-D36 PolarHBondContact NH2-OD2 2.95Å; R20-D38 WeakPolarHBondContact CD-OD2 3.35Å; R20-D38 HydrophobicContact CG-CB 4.36Å; R20-D38 WeakPolarHBondContact CG-OD2 3.5Å; R20-D38 IonicContact NE-OD2 3.63Å
21F98.4Very high93.6Very high2 Ų255.9 Ų55.91%0.00931%0.309CS..EExtended strand (participates in β ladder)trans-114.9128.9175176-95.2000110.5D8 T9 A10 F35 S37 Q69 A70 D73D8-F21 HydrophobicContact CB-CE2 3.85Å; D8-F21 HydrophobicContact CB-CZ 4.13Å; T9-F21 CarbonylContact O-C 3.5Å; T9-F21 WeakPolarHBondContact O-CA 3.36Å; A10-F21 HydrophobicContact CB-CD2 4.33Å; F21-F35 AromaticContact CD1-CD1 3.67Å; F21-F35 HydrophobicContact CD1-CD1 3.67Å; F21-F35 AromaticContact CD1-CE1 3.74Å; F21-F35 HydrophobicContact CD1-CE1 3.74Å; F21-F35 AromaticContact CE1-CD1 3.89Å; F21-F35 HydrophobicContact CE1-CD1 3.89Å; F21-F35 HydrophobicContact CE1-CE1 4.27Å; F21-S37 PolarHBondContact N-OG 3.38Å; F21-S37 PolarHBondContact O-N 3.1Å; F21-S37 PolarHBondContact O-OG 3.47Å; F21-Q69 HydrophobicContact CE2-CB 4.26Å; F21-Q69 HydrophobicContact CE2-CG 3.73Å; F21-Q69 HydrophobicContact CZ-CB 3.87Å; F21-Q69 HydrophobicContact CZ-CG 3.65Å; F21-A70 HydrophobicContact CB-CB 3.65Å; F21-A70 HydrophobicContact CD1-CB 3.76Å; F21-A70 HydrophobicContact CD2-CB 4.16Å; F21-A70 HydrophobicContact CE1-CB 4.45Å; F21-A70 HydrophobicContact CG-CB 3.58Å; F21-D73 WeakPolarHBondContact CD2-OD2 3.01Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.48Å
22I98.6Very high93.3Very high35 Ų3554 Ų5418%0.17930%0.298CS..EExtended strand (participates in β ladder)trans-123.9134.1174.8-60.2168.9000107.6D8 T9 R20 V24 F35D8-I22 CarbonylContact C-O 3.46Å; D8-I22 WeakPolarHBondContact CA-O 3.24Å; T9-I22 PolarHBondContact N-O 3.15Å; T9-I22 PolarHBondContact O-N 3.11Å; R20-I22 HydrophobicContact CG-CG1 4.36Å; I22-V24 HydrophobicContact CG2-CG1 4.25Å; I22-F35 WeakPolarHBondContact CA-O 3.22Å
23S97.9Very high93.2Very high0 Ų053.1 Ų53.10%029%0.292CS..EExtended strand (participates in β ladder)trans-124.4134.4168.8-169.30000109.7F7 D8 R34 F35 Y66F7-S23 WeakPolarHBondContact O-CA 3.45Å; D8-S23 WeakPolarHBondContact OD1-CB 3.46Å; D8-S23 PolarHBondContact OD1-OG 3.35Å; S23-R34 CarbonylContact O-C 3.5Å; S23-R34 WeakPolarHBondContact O-CA 3.3Å; S23-F35 PolarHBondContact N-O 2.88Å; S23-F35 PolarHBondContact O-N 2.65Å; S23-Y66 WeakPolarHBondContact OG-CE1 3.34Å
24V97.6Very high93.3Very high20 Ų2053.2 Ų53.212%0.12129%0.292CS..EExtended strand (participates in β ladder)trans-130.7137.4173.4-64.60000110.1Y6 F7 I22 Y26 R34Y6-V24 CarbonylContact C-O 3.57Å; Y6-V24 VanDerWaalsContact CA-O 3.28Å; Y6-V24 WeakPolarHBondContact CA-O 3.49Å; F7-V24 HydrophobicContact CB-CG2 3.78Å; F7-V24 HydrophobicContact CD2-CG2 4.23Å; F7-V24 HydrophobicContact CG-CG2 4.44Å; F7-V24 PolarHBondContact N-O 3.22Å; F7-V24 PolarHBondContact O-N 2.98Å; I22-V24 HydrophobicContact CG2-CG1 4.25Å; V24-Y26 HydrophobicContact CB-CE2 4.25Å; V24-Y26 HydrophobicContact CG2-CE2 3.86Å; V24-R34 HydrophobicContact CG1-CB 4.47Å; V24-R34 HydrophobicContact CG1-CG 4.13Å
25G94.3Very high93.7Very high0 Ų051 Ų510%028%0.277CS..EExtended strand (participates in β ladder)trans-119.2139.5-179.200000111.8R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.57Å; R5-G25 WeakPolarHBondContact O-CA 3.27Å; G25-Q31 CarbonylContact O-C 3.59Å; G25-Q31 WeakPolarHBondContact O-CA 3.5Å; G25-F32 VanDerWaalsContact C-CD1 3.42Å; G25-F32 VanDerWaalsContact C-CE1 3.48Å; G25-F32 WeakPolarHBondContact O-CD1 3.48Å; G25-F32 PolarHBondContact O-N 2.9Å; G25-V33 PolarHBondContact N-O 3.12Å; G25-V33 PolarHBondContact O-N 3.17Å
26Y93.2Very high94.2Very high71 Ų7147.6 Ų47.628%0.27824%0.237SC..EExtended strand (participates in β ladder)trans-123.9141.6180-69.4-97.1000111.1M4 R5 F7 V24 T30 Q31M4-Y26 VanDerWaalsContact CA-O 3.31Å; M4-Y26 WeakPolarHBondContact CA-O 3.33Å; R5-Y26 PolarHBondContact N-O 2.8Å; R5-Y26 PolarHBondContact O-N 2.67Å; F7-Y26 AromaticContact CD2-CD2 3.86Å; F7-Y26 HydrophobicContact CD2-CD2 3.86Å; F7-Y26 AromaticContact CD2-CE2 3.98Å; F7-Y26 HydrophobicContact CD2-CE2 3.98Å; F7-Y26 AromaticContact CE2-CD2 3.78Å; F7-Y26 HydrophobicContact CE2-CD2 3.78Å; F7-Y26 HydrophobicContact CE2-CE2 4.09Å; V24-Y26 HydrophobicContact CB-CE2 4.25Å; V24-Y26 HydrophobicContact CG2-CE2 3.86Å; Y26-T30 VanDerWaalsContact CA-O 3.31Å; Y26-T30 WeakPolarHBondContact CA-O 3.42Å; Y26-Q31 HydrophobicContact CD1-CB 3.98Å; Y26-Q31 VanDerWaalsContact CD1-N 3.35Å; Y26-Q31 HydrophobicContact CE1-CB 3.59Å; Y26-Q31 HydrophobicContact CE1-CG 4.31Å; Y26-Q31 HydrophobicContact CE2-CG 4.46Å
27V90.4Very high94.7Very high8 Ų839.3 Ų39.35%0.04821%0.212CC..EExtended strand (participates in β ladder)trans-122.6124.2163.2173.60000106.9S3 M4 D29 T30 F32S3-V27 WeakPolarHBondContact O-CA 3.46Å; M4-V27 HydrophobicContact CE-CG2 3.59Å; M4-V27 HydrophobicContact CG-CG2 4.5Å; V27-D29 PolarHBondContact O-N 3.3Å; V27-T30 PolarHBondContact N-O 3.4Å; V27-T30 PolarHBondContact O-N 2.89Å; V27-F32 HydrophobicContact CB-CD1 4.48Å; V27-F32 HydrophobicContact CG2-CD1 3.81Å; V27-F32 HydrophobicContact CG2-CE1 3.76Å; V27-F32 HydrophobicContact CG2-CG 4.42Å; V27-F32 HydrophobicContact CG2-CZ 4.31Å
28D89.1Confident95.1Very high57 Ų5739.7 Ų39.731%0.30520%0.199SC..THydrogen-bonded Turntrans45.350180-55.5-33.3000112.4H2 S3 T30H2-D28 WeakPolarHBondContact CA-OD1 3.16Å; H2-D28 WeakPolarHBondContact CB-OD1 3.34Å; H2-D28 IonicContact CE1-OD2 2.98Å; H2-D28 IonicContact CG-OD1 3.45Å; H2-D28 IonicContact CG-OD2 2.76Å; H2-D28 IonicContact ND1-OD1 2.62Å; H2-D28 IonicContact ND1-OD2 3.56Å; H2-D28 PolarHBondContact ND1-OD2 3.01Å; S3-D28 PolarHBondContact N-OD1 3.48Å; S3-D28 PolarHBondContact O-N 2.81Å; D28-T30 PolarHBondContact O-N 2.93Å
29D90.4Very high95.3Very high133 Ų13337.2 Ų37.271%0.71119%0.193SC*.THydrogen-bonded Turntrans64.93.7-178.4-52.1-42.7000116.5V27V27-D29 PolarHBondContact O-N 3.3Å
30T93.4Very high95.2Very high66 Ų6641.5 Ų41.541%0.40523%0.231SC..EExtended strand (participates in β ladder)trans-95.7121171.6-51.30000111.2Y26 V27 D28 F32 W50Y26-T30 VanDerWaalsContact CA-O 3.31Å; Y26-T30 WeakPolarHBondContact CA-O 3.42Å; V27-T30 PolarHBondContact N-O 3.4Å; V27-T30 PolarHBondContact O-N 2.89Å; D28-T30 PolarHBondContact O-N 2.93Å; T30-F32 PolarHBondContact O-N 2.81Å; T30-W50 HydrophobicContact CG2-CH2 3.43Å; T30-W50 VanDerWaalsContact CG2-CH2 3.43Å; T30-W50 HydrophobicContact CG2-CZ2 4.01Å; T30-W50 HydrophobicContact CG2-CZ3 4.42Å
31Q95.1Very high95.1Very high54 Ų5441 Ų4125%0.25224%0.241SC..EExtended strand (participates in β ladder)trans-65.5123.6173.8-169.6-177.42.600109.6G25 Y26 V33 R47G25-Q31 CarbonylContact O-C 3.59Å; G25-Q31 WeakPolarHBondContact O-CA 3.5Å; Y26-Q31 HydrophobicContact CD1-CB 3.98Å; Y26-Q31 VanDerWaalsContact CD1-N 3.35Å; Y26-Q31 HydrophobicContact CE1-CB 3.59Å; Y26-Q31 HydrophobicContact CE1-CG 4.31Å; Y26-Q31 HydrophobicContact CE2-CG 4.46Å; Q31-V33 PolarHBondContact NE2-O 3.13Å; Q31-R47 HydrophobicContact CB-CB 4.5Å; Q31-R47 HydrophobicContact CG-CB 4.07Å; Q31-R47 HydrophobicContact CG-CG 4.25Å; Q31-R47 CarbonylContact O-C 3.54Å; Q31-R47 WeakPolarHBondContact O-CB 3.47Å
32F91.8Very high94.9Very high0 Ų043 Ų430%025%0.254CS..EExtended strand (participates in β ladder)trans-116.2-20.4-179.678-77.2000113.4M4 Y6 G25 V27 T30 R47 A48 W50 V51M4-F32 HydrophobicContact CE-CZ 4.39Å; Y6-F32 HydrophobicContact CE2-CZ 4.48Å; Y6-F32 AromaticContact CZ-CZ 3.9Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.18Å; G25-F32 VanDerWaalsContact C-CD1 3.42Å; G25-F32 VanDerWaalsContact C-CE1 3.48Å; G25-F32 WeakPolarHBondContact O-CD1 3.48Å; G25-F32 PolarHBondContact O-N 2.9Å; V27-F32 HydrophobicContact CB-CD1 4.48Å; V27-F32 HydrophobicContact CG2-CD1 3.81Å; V27-F32 HydrophobicContact CG2-CE1 3.76Å; V27-F32 HydrophobicContact CG2-CG 4.42Å; V27-F32 HydrophobicContact CG2-CZ 4.31Å; T30-F32 PolarHBondContact O-N 2.81Å; F32-R47 PolarHBondContact O-N 2.87Å; F32-A48 HydrophobicContact CB-CB 4.04Å; F32-W50 HydrophobicContact CB-CZ2 4.08Å; F32-V51 HydrophobicContact CD2-CB 4.49Å; F32-V51 HydrophobicContact CD2-CG2 4.29Å; F32-V51 WeakPolarHBondContact O-CG1 3.42Å
33V93.9Very high94.8Very high0 Ų048.5 Ų48.50%027%0.272CS..EExtended strand (participates in β ladder)trans-139.6152.1177.2-72.40000112.6Y6 G25 Q31 E45 V51 W59 Y66Y6-V33 HydrophobicContact CE1-CG2 3.88Å; G25-V33 PolarHBondContact N-O 3.12Å; G25-V33 PolarHBondContact O-N 3.17Å; Q31-V33 PolarHBondContact NE2-O 3.13Å; V33-E45 WeakPolarHBondContact CA-O 3.44Å; V33-V51 HydrophobicContact CG1-CG2 4.43Å; V33-W59 HydrophobicContact CG1-CH2 3.98Å; V33-W59 HydrophobicContact CG1-CZ3 4.03Å; V33-Y66 WeakPolarHBondContact CG2-OH 3.4Å
34R97.2Very high94.6Very high63 Ų6348.8 Ų48.824%0.23828%0.275CS..EExtended strand (participates in β ladder)trans-140.4147169.4-178.2174173.186.26.3110.7S23 V24 D36 E45 R47S23-R34 CarbonylContact O-C 3.5Å; S23-R34 WeakPolarHBondContact O-CA 3.3Å; V24-R34 HydrophobicContact CG1-CB 4.47Å; V24-R34 HydrophobicContact CG1-CG 4.13Å; R34-D36 IonicContact CZ-OD2 3.57Å; R34-D36 IonicContact NH2-OD2 2.65Å; R34-D36 PolarHBondContact NH2-OD2 2.93Å; R34-E45 PolarHBondContact N-O 2.84Å; R34-E45 PolarHBondContact O-N 2.83Å; R34-R47 HydrophobicContact CB-CG 3.94Å
35F98.1Very high94.5Very high3 Ų350.5 Ų50.51%0.01328%0.281CS..EExtended strand (participates in β ladder)trans-133.4142.6164.1176.8-89.2000109.2F21 I22 S23 P42 T63 Y66 K67F21-F35 AromaticContact CD1-CD1 3.67Å; F21-F35 HydrophobicContact CD1-CD1 3.67Å; F21-F35 AromaticContact CD1-CE1 3.74Å; F21-F35 HydrophobicContact CD1-CE1 3.74Å; F21-F35 AromaticContact CE1-CD1 3.89Å; F21-F35 HydrophobicContact CE1-CD1 3.89Å; F21-F35 HydrophobicContact CE1-CE1 4.27Å; I22-F35 WeakPolarHBondContact CA-O 3.22Å; S23-F35 PolarHBondContact N-O 2.88Å; S23-F35 PolarHBondContact O-N 2.65Å; F35-P42 HydrophobicContact CE2-CB 4.08Å; F35-P42 HydrophobicContact CZ-CB 3.94Å; F35-T63 HydrophobicContact CE2-CG2 4.35Å; F35-Y66 HydrophobicContact CB-CD1 4.15Å; F35-Y66 HydrophobicContact CB-CD2 3.51Å; F35-Y66 HydrophobicContact CB-CE2 3.91Å; F35-Y66 HydrophobicContact CB-CG 3.65Å; F35-Y66 HydrophobicContact CD1-CG 4.25Å; F35-Y66 AromaticContact CD2-CD2 3.63Å; F35-Y66 HydrophobicContact CD2-CD2 3.63Å; F35-Y66 AromaticContact CD2-CG 3.95Å; F35-Y66 HydrophobicContact CD2-CG 3.95Å; F35-Y66 AromaticContact CG-CD2 3.7Å; F35-Y66 HydrophobicContact CG-CD2 3.7Å; F35-Y66 AromaticContact CG-CG 3.68Å; F35-Y66 HydrophobicContact CG-CG 3.68Å; F35-K67 HydrophobicContact CZ-CG 4.32Å
36D98.4Very high94.5Very high19 Ų1952.7 Ų52.710%0.10230%0.296CS..EExtended strand (participates in β ladder)trans-139120174.7-160.4-31.5000109.3R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.22Å; R20-D36 IonicContact CZ-OD2 3.18Å; R20-D36 IonicContact NE-OD1 3.61Å; R20-D36 PolarHBondContact NE-OD1 3.13Å; R20-D36 IonicContact NE-OD2 3.97Å; R20-D36 IonicContact NH2-OD1 2.67Å; R20-D36 PolarHBondContact NH2-OD1 3.25Å; R20-D36 IonicContact NH2-OD2 2.8Å; R20-D36 PolarHBondContact NH2-OD2 2.95Å; R34-D36 IonicContact CZ-OD2 3.57Å; R34-D36 IonicContact NH2-OD2 2.65Å; R34-D36 PolarHBondContact NH2-OD2 2.93Å; D36-D38 PolarHBondContact O-N 2.9Å; D36-D38 PolarHBondContact OD1-N 3.05Å; D36-A39 HydrophobicContact CB-CB 4.44Å; D36-A39 WeakPolarHBondContact O-CB 3.25Å; D36-A39 PolarHBondContact O-N 2.83Å
37S97.3Very high94.6Very high34 Ų3454.9 Ų54.924%0.23830%0.303CS..THydrogen-bonded Turntrans-67.7-20-178.569.40000113.3F21 P42F21-S37 PolarHBondContact N-OG 3.38Å; F21-S37 PolarHBondContact O-N 3.1Å; F21-S37 PolarHBondContact O-OG 3.47Å; S37-P42 WeakPolarHBondContact O-CG 3.19Å
38D95.9Very high94.6Very high70 Ų7054.6 Ų54.637%0.37430%0.302SS..THydrogen-bonded Turntrans-90.7-3-179.9-79.24.3000113.1R13 R20 D36R13-D38 IonicContact CZ-OD1 3.7Å; R13-D38 IonicContact CZ-OD2 2.87Å; R13-D38 VanDerWaalsContact NH1-CG 3.3Å; R13-D38 IonicContact NH1-OD1 3.66Å; R13-D38 PolarHBondContact NH1-OD1 3.45Å; R13-D38 IonicContact NH1-OD2 3.16Å; R13-D38 PolarHBondContact NH1-OD2 3.41Å; R13-D38 IonicContact NH2-OD1 3.43Å; R13-D38 PolarHBondContact NH2-OD1 3.23Å; R13-D38 IonicContact NH2-OD2 3.91Å; R20-D38 WeakPolarHBondContact CD-OD2 3.35Å; R20-D38 HydrophobicContact CG-CB 4.36Å; R20-D38 WeakPolarHBondContact CG-OD2 3.5Å; R20-D38 IonicContact NE-OD2 3.63Å; D36-D38 PolarHBondContact O-N 2.9Å; D36-D38 PolarHBondContact OD1-N 3.05Å
39A95.7Very high94.7Very high33 Ų3356.4 Ų56.427%0.27332%0.317SS..SBendtrans-61.8148.2175.200000110.6D36 S41 P42D36-A39 HydrophobicContact CB-CB 4.44Å; D36-A39 WeakPolarHBondContact O-CB 3.25Å; D36-A39 PolarHBondContact O-N 2.83Å; A39-S41 PolarHBondContact O-N 3.17Å; A39-S41 VanDerWaalsContact O-N 3.09Å; A39-P42 WeakPolarHBondContact O-CD 3.27Å; A39-P42 VanDerWaalsContact O-CG 3.26Å; A39-P42 WeakPolarHBondContact O-CG 3.45Å
40A94.9Very high94.3Very high119 Ų11953.9 Ų53.998%0.98330%0.297SS*.SBendtrans-56.5-29.9177.700000112.8
41S94.6Very high94Very high75 Ų7550.7 Ų50.752%0.52428%0.278SS..SBendtrans-130.192.5169.6-171.30000108.8A39 R43A39-S41 PolarHBondContact O-N 3.17Å; A39-S41 VanDerWaalsContact O-N 3.09Å; S41-R43 PolarHBondContact O-N 3.47Å
42P95.4Very high93.7Very high43 Ų4354 Ų5428%0.27929%0.294SS..  trans-66.7101.2-176.9-22.534.2000112.1F35 S37 A39F35-P42 HydrophobicContact CE2-CB 4.08Å; F35-P42 HydrophobicContact CZ-CB 3.94Å; S37-P42 WeakPolarHBondContact O-CG 3.19Å; A39-P42 WeakPolarHBondContact O-CD 3.27Å; A39-P42 VanDerWaalsContact O-CG 3.26Å; A39-P42 WeakPolarHBondContact O-CG 3.45Å
43R96.6Very high93.4Very high151 Ų15159.5 Ų59.557%0.5732%0.319SS*.  trans-141158.7177.665.1-176.4172.9175.3-2111.4S41 E45 T63S41-R43 PolarHBondContact O-N 3.47Å; R43-E45 HydrophobicContact CG-CG 4.43Å; R43-T63 HydrophobicContact CB-CG2 4.36Å
44G94.3Very high93Very high5 Ų560.8 Ų60.85%0.05233%0.325CS..  trans-65.5135.6168.900000110.1T63G44-T63 PolarHBondContact N-OG1 3.49Å
45E94.6Very high92.7Very high56 Ų5659.6 Ų59.626%0.26233%0.332SS..EExtended strand (participates in β ladder)trans-122.7136.4-176.8-65.3177.6161.900110.7V33 R34 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.44Å; R34-E45 PolarHBondContact N-O 2.84Å; R34-E45 PolarHBondContact O-N 2.83Å; R43-E45 HydrophobicContact CG-CG 4.43Å; E45-R47 IonicContact OE2-CZ 3.12Å; E45-R47 IonicContact OE2-NH2 3.67Å; E45-R47 PolarHBondContact OE2-NH2 2.8Å
46P94.1Very high92.4Very high46 Ų4664.2 Ų64.230%0.29936%0.362SS..EExtended strand (participates in β ladder)trans-67.8142.9172.128.6-33.1000110.7V51 E52 W59P46-V51 HydrophobicContact CB-CG1 3.55Å; P46-E52 HydrophobicContact CB-CG 3.75Å; P46-E52 HydrophobicContact CG-CG 3.99Å; P46-W59 HydrophobicContact CB-CH2 3.77Å; P46-W59 HydrophobicContact CB-CZ2 3.72Å; P46-W59 HydrophobicContact CG-CH2 4.32Å; P46-W59 HydrophobicContact CG-CZ2 4.1Å
47R95.9Very high92Very high117 Ų11771.3 Ų71.344%0.44240%0.395SS..  trans-125.82.7174.1-60.2-63.4175.7-162.97.7113.2Q31 F32 R34 E45Q31-R47 HydrophobicContact CB-CB 4.5Å; Q31-R47 HydrophobicContact CG-CB 4.07Å; Q31-R47 HydrophobicContact CG-CG 4.25Å; Q31-R47 CarbonylContact O-C 3.54Å; Q31-R47 WeakPolarHBondContact O-CB 3.47Å; F32-R47 PolarHBondContact O-N 2.87Å; R34-R47 HydrophobicContact CB-CG 3.94Å; E45-R47 IonicContact OE2-CZ 3.12Å; E45-R47 IonicContact OE2-NH2 3.67Å; E45-R47 PolarHBondContact OE2-NH2 2.8Å
48A90.6Very high91.5Very high3 Ų370.3 Ų70.33%0.02539%0.386CS..SBendtrans-144.5147.117600000111.7F32 W50 V51F32-A48 HydrophobicContact CB-CB 4.04Å; A48-W50 VanDerWaalsContact C-N 3.28Å; A48-W50 HydrophobicContact CB-CD2 3.64Å; A48-W50 HydrophobicContact CB-CE3 3.8Å; A48-W50 HydrophobicContact CB-CG 4.47Å; A48-W50 HydrophobicContact CB-CH2 3.55Å; A48-W50 HydrophobicContact CB-CZ2 3.32Å; A48-W50 HydrophobicContact CB-CZ3 3.75Å; A48-W50 PolarHBondContact O-N 3.33Å; A48-W50 VanDerWaalsContact O-N 3.17Å; A48-V51 WeakPolarHBondContact O-CG1 3.4Å; A48-V51 PolarHBondContact O-N 3.45Å; A48-V51 VanDerWaalsContact O-N 3.14Å
49P90.7Very high91.2Very high95 Ų9568.6 Ų68.662%0.61738%0.375SS*.Hα-helixtrans-58.2-35.2-172.7-27.235000114.5V51 E52P49-V51 PolarHBondContact O-N 2.56Å; P49-E52 WeakPolarHBondContact O-CB 3.44Å; P49-E52 PolarHBondContact O-N 2.87Å
50W82.8Confident91.1Very high79 Ų7972 Ų7230%0.29939%0.388SS..Hα-helixtrans-69.8-16.1-176.758.679.6000114.5T30 F32 A48 Q53 R172T30-W50 HydrophobicContact CG2-CH2 3.43Å; T30-W50 VanDerWaalsContact CG2-CH2 3.43Å; T30-W50 HydrophobicContact CG2-CZ2 4.01Å; T30-W50 HydrophobicContact CG2-CZ3 4.42Å; F32-W50 HydrophobicContact CB-CZ2 4.08Å; A48-W50 VanDerWaalsContact C-N 3.28Å; A48-W50 HydrophobicContact CB-CD2 3.64Å; A48-W50 HydrophobicContact CB-CE3 3.8Å; A48-W50 HydrophobicContact CB-CG 4.47Å; A48-W50 HydrophobicContact CB-CH2 3.55Å; A48-W50 HydrophobicContact CB-CZ2 3.32Å; A48-W50 HydrophobicContact CB-CZ3 3.75Å; A48-W50 PolarHBondContact O-N 3.33Å; A48-W50 VanDerWaalsContact O-N 3.17Å; W50-Q53 VanDerWaalsContact O-CG 3.31Å; W50-Q53 WeakPolarHBondContact O-CG 3.44Å; W50-Q53 PolarHBondContact O-NE2 2.84Å; W50-R172 VanDerWaalsContact CG-O 3.29Å; W50-R172 PolarHBondContact NE1-O 3.28Å
51V86.4Confident90.8Very high0 Ų072.9 Ų72.90%037%0.366CS..Hα-helixtrans-97.9-13.917771.60000111.8F32 V33 P46 A48 P49 Q53 E54 Y58 W59F32-V51 HydrophobicContact CD2-CB 4.49Å; F32-V51 HydrophobicContact CD2-CG2 4.29Å; F32-V51 WeakPolarHBondContact O-CG1 3.42Å; V33-V51 HydrophobicContact CG1-CG2 4.43Å; P46-V51 HydrophobicContact CB-CG1 3.55Å; A48-V51 WeakPolarHBondContact O-CG1 3.4Å; A48-V51 PolarHBondContact O-N 3.45Å; A48-V51 VanDerWaalsContact O-N 3.14Å; P49-V51 PolarHBondContact O-N 2.56Å; V51-Q53 PolarHBondContact O-N 2.87Å; V51-E54 HydrophobicContact CG2-CG 4.09Å; V51-E54 WeakPolarHBondContact O-CB 3.42Å; V51-E54 WeakPolarHBondContact O-CG 3.47Å; V51-E54 PolarHBondContact O-N 3.18Å; V51-E54 VanDerWaalsContact O-N 3.15Å; V51-Y58 HydrophobicContact CG2-CE1 4.03Å; V51-Y58 WeakPolarHBondContact CG2-OH 3.43Å; V51-W59 HydrophobicContact CG1-CH2 4.28Å; V51-W59 HydrophobicContact CG1-CZ2 4.4Å; V51-W59 HydrophobicContact CG2-CH2 3.8Å; V51-W59 HydrophobicContact CG2-CZ2 3.81Å; V51-W59 WeakPolarHBondContact O-CZ2 3.32Å
52E87.8Confident90.5Very high124 Ų12469.4 Ų69.458%0.57934%0.341SS*.Hα-helixtrans-65.7-27.2177.7-66.6177.6-177.500112.5P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.75Å; P46-E52 HydrophobicContact CG-CG 3.99Å; P49-E52 WeakPolarHBondContact O-CB 3.44Å; P49-E52 PolarHBondContact O-N 2.87Å; E52-E54 PolarHBondContact O-N 2.79Å
53Q86.3Confident90.5Very high115 Ų11567.8 Ų67.854%0.53733%0.331SS..THydrogen-bonded Turntrans-70.7-9.1175.869.9-175.514.500114W50 V51W50-Q53 VanDerWaalsContact O-CG 3.31Å; W50-Q53 WeakPolarHBondContact O-CG 3.44Å; W50-Q53 PolarHBondContact O-NE2 2.84Å; V51-Q53 PolarHBondContact O-N 2.87Å
54E86.3Confident90.4Very high27 Ų2765.2 Ų65.213%0.12633%0.325CS..  trans-72.9137179.3-66.3-62.6137.900111.3V51 E52 Y58 W59 R175V51-E54 HydrophobicContact CG2-CG 4.09Å; V51-E54 WeakPolarHBondContact O-CB 3.42Å; V51-E54 WeakPolarHBondContact O-CG 3.47Å; V51-E54 PolarHBondContact O-N 3.18Å; V51-E54 VanDerWaalsContact O-N 3.15Å; E52-E54 PolarHBondContact O-N 2.79Å; E54-Y58 HydrophobicContact CB-CD1 3.52Å; E54-Y58 HydrophobicContact CB-CD2 4.32Å; E54-Y58 HydrophobicContact CB-CE1 3.87Å; E54-Y58 HydrophobicContact CB-CG 3.77Å; E54-Y58 HydrophobicContact CG-CD1 4.04Å; E54-Y58 HydrophobicContact CG-CD2 4.18Å; E54-Y58 HydrophobicContact CG-CE1 3.99Å; E54-Y58 HydrophobicContact CG-CE2 4.1Å; E54-Y58 HydrophobicContact CG-CG 4.13Å; E54-W59 PolarHBondContact O-NE1 3.12Å; E54-W59 VanDerWaalsContact O-NE1 3.14Å; E54-R175 WeakPolarHBondContact OE1-CG 3.36Å; E54-R175 IonicContact OE1-CZ 3.48Å; E54-R175 IonicContact OE1-NE 3.06Å; E54-R175 PolarHBondContact OE1-NE 3.32Å; E54-R175 IonicContact OE1-NH2 2.71Å
55G89.7Confident90.3Very high37 Ų3766.4 Ų66.438%0.38133%0.329SS..  trans-75171.3-175.200000114.6E57 Y58 W59G55-E57 VanDerWaalsContact C-N 3.3Å; G55-E57 PolarHBondContact O-N 2.81Å; G55-Y58 WeakPolarHBondContact O-CB 3.3Å; G55-Y58 PolarHBondContact O-N 3.02Å; G55-Y58 VanDerWaalsContact O-N 3.13Å; G55-W59 VanDerWaalsContact O-CD1 3.3Å; G55-W59 PolarHBondContact O-N 2.84Å
56P91.9Very high90.3Very high100 Ų10063.8 Ų63.865%0.64932%0.317SS*.Hα-helixtrans-58.1-38.2-177.722.5-33.1000113.2Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 3.19Å; P56-W59 PolarHBondContact O-N 3.25Å; P56-W59 VanDerWaalsContact O-N 3.07Å; P56-D60 PolarHBondContact O-N 3.06Å
57E90.1Very high90.4Very high169 Ų16965.9 Ų65.979%0.7932%0.321SS*.Hα-helixtrans-59.5-36.7178.6-63.6179.1178.500113.1G55 R61G55-E57 VanDerWaalsContact C-N 3.3Å; G55-E57 PolarHBondContact O-N 2.81Å; E57-R61 WeakPolarHBondContact O-CB 3.44Å; E57-R61 PolarHBondContact O-N 2.82Å; E57-R61 VanDerWaalsContact O-N 3.12Å
58Y86.1Confident90.4Very high12 Ų1267.6 Ų67.65%0.04733%0.328CS..Hα-helixtrans-64.5-50.3174.3167.4-84.6000109.9V51 E54 G55 P56 D60 R61 E62 R177V51-Y58 HydrophobicContact CG2-CE1 4.03Å; V51-Y58 WeakPolarHBondContact CG2-OH 3.43Å; E54-Y58 HydrophobicContact CB-CD1 3.52Å; E54-Y58 HydrophobicContact CB-CD2 4.32Å; E54-Y58 HydrophobicContact CB-CE1 3.87Å; E54-Y58 HydrophobicContact CB-CG 3.77Å; E54-Y58 HydrophobicContact CG-CD1 4.04Å; E54-Y58 HydrophobicContact CG-CD2 4.18Å; E54-Y58 HydrophobicContact CG-CE1 3.99Å; E54-Y58 HydrophobicContact CG-CE2 4.1Å; E54-Y58 HydrophobicContact CG-CG 4.13Å; G55-Y58 WeakPolarHBondContact O-CB 3.3Å; G55-Y58 PolarHBondContact O-N 3.02Å; G55-Y58 VanDerWaalsContact O-N 3.13Å; P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 3.19Å; Y58-D60 VanDerWaalsContact C-N 3.35Å; Y58-D60 PolarHBondContact O-N 3.29Å; Y58-R61 PolarHBondContact O-N 2.73Å; Y58-E62 HydrophobicContact CD1-CG 4.35Å; Y58-E62 HydrophobicContact CE1-CG 4.16Å; Y58-E62 HydrophobicContact CE2-CG 4.47Å; Y58-E62 VanDerWaalsContact O-CG 3.31Å; Y58-E62 WeakPolarHBondContact O-CG 3.43Å; Y58-E62 PolarHBondContact O-N 3.2Å; Y58-R177 PolarHBondContact OH-NH2 3.28Å
59W90.4Very high90.7Very high35 Ų3569 Ų6913%0.13333%0.334CS..Hα-helixtrans-65.9-36.2-177.5-70.2112.9000113V33 P46 V51 E54 G55 P56 E62 T63V33-W59 HydrophobicContact CG1-CH2 3.98Å; V33-W59 HydrophobicContact CG1-CZ3 4.03Å; P46-W59 HydrophobicContact CB-CH2 3.77Å; P46-W59 HydrophobicContact CB-CZ2 3.72Å; P46-W59 HydrophobicContact CG-CH2 4.32Å; P46-W59 HydrophobicContact CG-CZ2 4.1Å; V51-W59 HydrophobicContact CG1-CH2 4.28Å; V51-W59 HydrophobicContact CG1-CZ2 4.4Å; V51-W59 HydrophobicContact CG2-CH2 3.8Å; V51-W59 HydrophobicContact CG2-CZ2 3.81Å; V51-W59 WeakPolarHBondContact O-CZ2 3.32Å; E54-W59 PolarHBondContact O-NE1 3.12Å; E54-W59 VanDerWaalsContact O-NE1 3.14Å; G55-W59 VanDerWaalsContact O-CD1 3.3Å; G55-W59 PolarHBondContact O-N 2.84Å; P56-W59 PolarHBondContact O-N 3.25Å; P56-W59 VanDerWaalsContact O-N 3.07Å; W59-E62 PolarHBondContact O-N 2.96Å; W59-T63 VanDerWaalsContact O-CB 3.23Å; W59-T63 WeakPolarHBondContact O-CB 3.31Å; W59-T63 PolarHBondContact O-N 3.24Å; W59-T63 PolarHBondContact O-OG1 3.43Å
60D93.4Very high91Very high105 Ų10565.4 Ų65.456%0.56131%0.312SS*.Hα-helixtrans-63.7-48.2174.3-74.7-21.8000110.8P56 Y58 E62 T63 Q64P56-D60 PolarHBondContact O-N 3.06Å; Y58-D60 VanDerWaalsContact C-N 3.35Å; Y58-D60 PolarHBondContact O-N 3.29Å; D60-E62 VanDerWaalsContact C-N 3.34Å; D60-E62 PolarHBondContact O-N 3.09Å; D60-T63 PolarHBondContact O-N 2.91Å; D60-Q64 WeakPolarHBondContact O-CG 3.29Å; D60-Q64 PolarHBondContact O-N 2.81Å
61R89.4Confident91.6Very high136 Ų13666.6 Ų66.651%0.51332%0.321SS..Hα-helixtrans-59.9-44.5177.9-176.1179.867-156.5-4.8111.9E57 Y58 Q64 K65E57-R61 WeakPolarHBondContact O-CB 3.44Å; E57-R61 PolarHBondContact O-N 2.82Å; E57-R61 VanDerWaalsContact O-N 3.12Å; Y58-R61 PolarHBondContact O-N 2.73Å; R61-Q64 PolarHBondContact O-N 3.3Å; R61-K65 PolarHBondContact O-N 3.33Å; R61-K65 VanDerWaalsContact O-N 3.14Å
62E88.4Confident92.1Very high2 Ų268.8 Ų68.81%0.00934%0.339CS..Hα-helixtrans-68.2-42.3179.4-66.6-50.112700112.2Y58 W59 D60 Q64 K65 Y66 R177Y58-E62 HydrophobicContact CD1-CG 4.35Å; Y58-E62 HydrophobicContact CE1-CG 4.16Å; Y58-E62 HydrophobicContact CE2-CG 4.47Å; Y58-E62 VanDerWaalsContact O-CG 3.31Å; Y58-E62 WeakPolarHBondContact O-CG 3.43Å; Y58-E62 PolarHBondContact O-N 3.2Å; W59-E62 PolarHBondContact O-N 2.96Å; D60-E62 VanDerWaalsContact C-N 3.34Å; D60-E62 PolarHBondContact O-N 3.09Å; E62-Q64 PolarHBondContact O-N 3.33Å; E62-K65 WeakPolarHBondContact O-CB 3.44Å; E62-K65 PolarHBondContact O-N 2.93Å; E62-K65 IonicContact OE1-NZ 2.79Å; E62-K65 PolarHBondContact OE1-NZ 2.97Å; E62-K65 IonicContact OE2-NZ 3.68Å; E62-Y66 HydrophobicContact CB-CE2 4.12Å; E62-Y66 WeakPolarHBondContact O-CD2 3.34Å; E62-Y66 PolarHBondContact O-N 3Å; E62-R177 VanDerWaalsContact CD-NH1 3.25Å; E62-R177 IonicContact OE1-CZ 3.78Å; E62-R177 IonicContact OE1-NH1 3.27Å; E62-R177 IonicContact OE1-NH2 3.63Å; E62-R177 PolarHBondContact OE1-NH2 3.12Å; E62-R177 IonicContact OE2-CZ 4Å; E62-R177 IonicContact OE2-NH1 2.64Å; E62-R177 PolarHBondContact OE2-NH1 2.79Å; E62-R177 IonicContact OE2-NH2 3.69Å; E62-R177 PolarHBondContact OE2-NH2 3.44Å
63T94.3Very high92.5Very high10 Ų1063.2 Ų63.26%0.06131%0.313CS..Hα-helixtrans-56.7-41.3173.5-62.10000111.4F35 R43 G44 W59 D60 Y66 K67F35-T63 HydrophobicContact CE2-CG2 4.35Å; R43-T63 HydrophobicContact CB-CG2 4.36Å; G44-T63 PolarHBondContact N-OG1 3.49Å; W59-T63 VanDerWaalsContact O-CB 3.23Å; W59-T63 WeakPolarHBondContact O-CB 3.31Å; W59-T63 PolarHBondContact O-N 3.24Å; W59-T63 PolarHBondContact O-OG1 3.43Å; D60-T63 PolarHBondContact O-N 2.91Å; T63-Y66 PolarHBondContact O-N 2.99Å; T63-K67 HydrophobicContact CG2-CD 4.26Å; T63-K67 WeakPolarHBondContact O-CG 3.49Å; T63-K67 PolarHBondContact O-N 3.11Å
64Q95.2Very high93Very high96 Ų9660.5 Ų60.545%0.44930%0.298SS..Hα-helixtrans-67-34.5176.5-68.5-58.7-24.400113.2D60 R61 E62 K67 R68D60-Q64 WeakPolarHBondContact O-CG 3.29Å; D60-Q64 PolarHBondContact O-N 2.81Å; R61-Q64 PolarHBondContact O-N 3.3Å; E62-Q64 PolarHBondContact O-N 3.33Å; Q64-K67 PolarHBondContact O-N 3.01Å; Q64-R68 WeakPolarHBondContact O-CG 3.42Å; Q64-R68 PolarHBondContact O-N 2.68Å
65K91.4Very high93.5Very high30 Ų3062.7 Ų62.713%0.1331%0.313CS..Hα-helixtrans-64-48.2173.3-70.2175.3-177.3168.60111.4R61 E62 K67 R68 Q69R61-K65 PolarHBondContact O-N 3.33Å; R61-K65 VanDerWaalsContact O-N 3.14Å; E62-K65 WeakPolarHBondContact O-CB 3.44Å; E62-K65 PolarHBondContact O-N 2.93Å; E62-K65 IonicContact OE1-NZ 2.79Å; E62-K65 PolarHBondContact OE1-NZ 2.97Å; E62-K65 IonicContact OE2-NZ 3.68Å; K65-K67 VanDerWaalsContact C-N 3.29Å; K65-K67 PolarHBondContact O-N 3.08Å; K65-R68 PolarHBondContact O-N 3.41Å; K65-R68 VanDerWaalsContact O-N 3.12Å; K65-Q69 PolarHBondContact O-N 3.48Å
66Y95.4Very high93.8Very high1 Ų162.9 Ų62.90%0.00431%0.309CS..Hα-helixtrans-58.9-41.3177.1-60.4-49.5000112S23 V33 F35 E62 T63 R68 Q69 A70S23-Y66 WeakPolarHBondContact OG-CE1 3.34Å; V33-Y66 WeakPolarHBondContact CG2-OH 3.4Å; F35-Y66 HydrophobicContact CB-CD1 4.15Å; F35-Y66 HydrophobicContact CB-CD2 3.51Å; F35-Y66 HydrophobicContact CB-CE2 3.91Å; F35-Y66 HydrophobicContact CB-CG 3.65Å; F35-Y66 HydrophobicContact CD1-CG 4.25Å; F35-Y66 AromaticContact CD2-CD2 3.63Å; F35-Y66 HydrophobicContact CD2-CD2 3.63Å; F35-Y66 AromaticContact CD2-CG 3.95Å; F35-Y66 HydrophobicContact CD2-CG 3.95Å; F35-Y66 AromaticContact CG-CD2 3.7Å; F35-Y66 HydrophobicContact CG-CD2 3.7Å; F35-Y66 AromaticContact CG-CG 3.68Å; F35-Y66 HydrophobicContact CG-CG 3.68Å; E62-Y66 HydrophobicContact CB-CE2 4.12Å; E62-Y66 WeakPolarHBondContact O-CD2 3.34Å; E62-Y66 PolarHBondContact O-N 3Å; T63-Y66 PolarHBondContact O-N 2.99Å; Y66-R68 PolarHBondContact O-N 3.18Å; Y66-Q69 PolarHBondContact O-N 3.02Å; Y66-A70 WeakPolarHBondContact O-CB 3.15Å; Y66-A70 PolarHBondContact O-N 2.84Å
67K96.3Very high94.1Very high90 Ų9058.6 Ų58.639%0.39128%0.28SS..Hα-helixtrans-63.2-40.5175.4-73.5177.4179.1179.20112.8F35 T63 Q64 K65 Q71F35-K67 HydrophobicContact CZ-CG 4.32Å; T63-K67 HydrophobicContact CG2-CD 4.26Å; T63-K67 WeakPolarHBondContact O-CG 3.49Å; T63-K67 PolarHBondContact O-N 3.11Å; Q64-K67 PolarHBondContact O-N 3.01Å; K65-K67 VanDerWaalsContact C-N 3.29Å; K65-K67 PolarHBondContact O-N 3.08Å; K67-Q71 WeakPolarHBondContact O-CG 3.43Å; K67-Q71 PolarHBondContact O-N 2.82Å
68R96.3Very high94.4Very high154 Ų15456.9 Ų56.958%0.58127%0.266SS*.Hα-helixtrans-65-43.5174.5-75.6-170.7-66.7-112.80.1111.9Q64 K65 Y66 Q71 A72Q64-R68 WeakPolarHBondContact O-CG 3.42Å; Q64-R68 PolarHBondContact O-N 2.68Å; K65-R68 PolarHBondContact O-N 3.41Å; K65-R68 VanDerWaalsContact O-N 3.12Å; Y66-R68 PolarHBondContact O-N 3.18Å; R68-Q71 PolarHBondContact O-N 3.16Å; R68-A72 PolarHBondContact O-N 2.79Å
69Q95.6Very high94.9Very high31 Ų3159.8 Ų59.815%0.14528%0.283CS..Hα-helixtrans-62.8-43.1176.9-171.662.155.400111.4F21 K65 Y66 Q71 A72 D73F21-Q69 HydrophobicContact CE2-CB 4.26Å; F21-Q69 HydrophobicContact CE2-CG 3.73Å; F21-Q69 HydrophobicContact CZ-CB 3.87Å; F21-Q69 HydrophobicContact CZ-CG 3.65Å; K65-Q69 PolarHBondContact O-N 3.48Å; Y66-Q69 PolarHBondContact O-N 3.02Å; Q69-Q71 VanDerWaalsContact C-N 3.28Å; Q69-Q71 PolarHBondContact O-N 2.88Å; Q69-A72 WeakPolarHBondContact O-CB 3.31Å; Q69-A72 PolarHBondContact O-N 2.82Å; Q69-A72 VanDerWaalsContact O-N 3.09Å; Q69-D73 PolarHBondContact NE2-OD1 2.85Å; Q69-D73 PolarHBondContact O-N 3.01Å
70A96.9Very high95.2Very high20 Ų2058.5 Ų58.517%0.16528%0.278CS..Hα-helixtrans-57.2-39.9175.400000112.7F21 Y66 R74F21-A70 HydrophobicContact CB-CB 3.65Å; F21-A70 HydrophobicContact CD1-CB 3.76Å; F21-A70 HydrophobicContact CD2-CB 4.16Å; F21-A70 HydrophobicContact CE1-CB 4.45Å; F21-A70 HydrophobicContact CG-CB 3.58Å; Y66-A70 WeakPolarHBondContact O-CB 3.15Å; Y66-A70 PolarHBondContact O-N 2.84Å; A70-R74 WeakPolarHBondContact O-CB 3.23Å; A70-R74 PolarHBondContact O-N 3.38Å
71Q96.9Very high95.4Very high105 Ų10556.9 Ų56.949%0.49127%0.265SS..Hα-helixtrans-69.4-39.4175.2-67.1-56.8-40.900112.4K67 R68 Q69 R74 V75K67-Q71 WeakPolarHBondContact O-CG 3.43Å; K67-Q71 PolarHBondContact O-N 2.82Å; R68-Q71 PolarHBondContact O-N 3.16Å; Q69-Q71 VanDerWaalsContact C-N 3.28Å; Q69-Q71 PolarHBondContact O-N 2.88Å; Q71-R74 WeakPolarHBondContact O-CB 3.43Å; Q71-R74 PolarHBondContact O-N 3.06Å; Q71-V75 PolarHBondContact O-N 2.96Å
72A95.8Very high95.7Very high45 Ų4552.4 Ų52.437%0.37226%0.26SS..Hα-helixtrans-61.6-45.9174.500000111.1R68 Q69 R74 V75 S76R68-A72 PolarHBondContact O-N 2.79Å; Q69-A72 WeakPolarHBondContact O-CB 3.31Å; Q69-A72 PolarHBondContact O-N 2.82Å; Q69-A72 VanDerWaalsContact O-N 3.09Å; A72-R74 VanDerWaalsContact C-N 3.33Å; A72-R74 PolarHBondContact O-N 2.74Å; A72-V75 PolarHBondContact O-N 3.34Å; A72-V75 VanDerWaalsContact O-N 3.13Å; A72-S76 PolarHBondContact O-N 3.24Å; A72-S76 PolarHBondContact O-OG 3.5Å; A72-S76 VanDerWaalsContact O-OG 3.08Å
73D96.4Very high96.1Very high7 Ų755 Ų554%0.03727%0.271CS..Hα-helixtrans-67.8-33.2-179.5-70.6-5.4000112.4A10 F21 Q69 V75 S76 L77 L94A10-D73 HydrophobicContact CB-CB 3.61Å; F21-D73 WeakPolarHBondContact CD2-OD2 3.01Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.48Å; Q69-D73 PolarHBondContact NE2-OD1 2.85Å; Q69-D73 PolarHBondContact O-N 3.01Å; D73-V75 VanDerWaalsContact C-N 3.33Å; D73-V75 PolarHBondContact O-N 2.96Å; D73-S76 PolarHBondContact O-N 2.89Å; D73-L77 WeakPolarHBondContact O-CB 3Å; D73-L77 WeakPolarHBondContact O-CG 3.47Å; D73-L77 PolarHBondContact O-N 3.14Å; D73-L94 HydrophobicContact CB-CD2 4.33Å
74R96.8Very high96.3Very high58 Ų5857.7 Ų57.722%0.21928%0.28CS..Hα-helixtrans-57.8-45.8169.9176.4-165.1178.9176.910.2111.6E18 P19 A70 Q71 A72 R78E18-R74 IonicContact OE1-CZ 3.28Å; E18-R74 IonicContact OE1-NE 3.66Å; E18-R74 IonicContact OE1-NH1 2.77Å; E18-R74 PolarHBondContact OE1-NH1 3.34Å; E18-R74 IonicContact OE1-NH2 3.67Å; E18-R74 PolarHBondContact OE1-NH2 2.8Å; E18-R74 WeakPolarHBondContact OE2-CD 3.38Å; E18-R74 IonicContact OE2-CZ 2.6Å; E18-R74 IonicContact OE2-NE 3.24Å; E18-R74 PolarHBondContact OE2-NE 3.38Å; E18-R74 IonicContact OE2-NH1 3.6Å; E18-R74 IonicContact OE2-NH2 3.12Å; E18-R74 PolarHBondContact OE2-NH2 3.29Å; P19-R74 HydrophobicContact CG-CB 4.31Å; P19-R74 HydrophobicContact CG-CG 4.18Å; A70-R74 WeakPolarHBondContact O-CB 3.23Å; A70-R74 PolarHBondContact O-N 3.38Å; Q71-R74 WeakPolarHBondContact O-CB 3.43Å; Q71-R74 PolarHBondContact O-N 3.06Å; A72-R74 VanDerWaalsContact C-N 3.33Å; A72-R74 PolarHBondContact O-N 2.74Å; R74-R78 WeakPolarHBondContact O-CG 3.29Å; R74-R78 PolarHBondContact O-N 3.28Å
75V96.8Very high96.4Very high73 Ų7360.3 Ų60.344%0.44230%0.297SS..Hα-helixtrans-67.3-41.9177.3174.70000110.3Q71 A72 D73 L77 R78 N79Q71-V75 PolarHBondContact O-N 2.96Å; A72-V75 PolarHBondContact O-N 3.34Å; A72-V75 VanDerWaalsContact O-N 3.13Å; D73-V75 VanDerWaalsContact C-N 3.33Å; D73-V75 PolarHBondContact O-N 2.96Å; V75-L77 PolarHBondContact O-N 3.47Å; V75-R78 PolarHBondContact O-N 2.73Å; V75-N79 PolarHBondContact O-N 3.32Å; V75-N79 PolarHBondContact O-ND2 2.86Å
76S96.9Very high96.6Very high42 Ų4261.7 Ų61.729%0.29430%0.304SS..Hα-helixtrans-60.5-45.2177.1-61.30000112.2A72 D73 R78 N79 L80A72-S76 PolarHBondContact O-N 3.24Å; A72-S76 PolarHBondContact O-OG 3.5Å; A72-S76 VanDerWaalsContact O-OG 3.08Å; D73-S76 PolarHBondContact O-N 2.89Å; S76-R78 VanDerWaalsContact C-N 3.29Å; S76-R78 PolarHBondContact O-N 3.18Å; S76-N79 PolarHBondContact O-N 2.81Å; S76-N79 VanDerWaalsContact O-N 3.14Å; S76-L80 WeakPolarHBondContact O-CB 3.49Å; S76-L80 VanDerWaalsContact O-CG 3.27Å; S76-L80 WeakPolarHBondContact O-CG 3.35Å; S76-L80 PolarHBondContact O-N 2.87Å
77L97.8Very high96.5Very high9 Ų965.1 Ų65.15%0.04733%0.328CS..Hα-helixtrans-57.5-41175.8-79.1168.5000112.1A10 P19 D73 V75 R81 H92 L94 Y117A10-L77 HydrophobicContact CB-CD1 3.81Å; P19-L77 HydrophobicContact CB-CD1 3.72Å; P19-L77 HydrophobicContact CG-CD1 3.84Å; D73-L77 WeakPolarHBondContact O-CB 3Å; D73-L77 WeakPolarHBondContact O-CG 3.47Å; D73-L77 PolarHBondContact O-N 3.14Å; V75-L77 PolarHBondContact O-N 3.47Å; L77-R81 WeakPolarHBondContact O-CB 3.49Å; L77-R81 PolarHBondContact O-N 2.64Å; L77-H92 HydrophobicContact CD2-CB 4.36Å; L77-L94 HydrophobicContact CD2-CB 3.65Å; L77-L94 HydrophobicContact CG-CB 4.09Å; L77-Y117 HydrophobicContact CD2-CE2 4.02Å
78R95.8Very high96.2Very high133 Ų13367 Ų6750%0.50234%0.339SS..Hα-helixtrans-65.6-42.8175.9-70.3174.6177.9171.3-1.1112.1R74 V75 S76 G82R74-R78 WeakPolarHBondContact O-CG 3.29Å; R74-R78 PolarHBondContact O-N 3.28Å; V75-R78 PolarHBondContact O-N 2.73Å; S76-R78 VanDerWaalsContact C-N 3.29Å; S76-R78 PolarHBondContact O-N 3.18Å; R78-G82 PolarHBondContact O-N 3.08Å
79N96.6Very high95.9Very high74 Ų7466.6 Ų66.640%0.39635%0.348SS..Hα-helixtrans-65.1-46.1178.2-69.4-23.6000111.6V75 S76 G82 Y83V75-N79 PolarHBondContact O-N 3.32Å; V75-N79 PolarHBondContact O-ND2 2.86Å; S76-N79 PolarHBondContact O-N 2.81Å; S76-N79 VanDerWaalsContact O-N 3.14Å; N79-G82 WeakPolarHBondContact O-CA 3.31Å; N79-G82 PolarHBondContact O-N 3.46Å; N79-G82 VanDerWaalsContact O-N 3.12Å; N79-Y83 HydrophobicContact CB-CE2 4.44Å; N79-Y83 WeakPolarHBondContact O-CD1 3.32Å; N79-Y83 PolarHBondContact O-N 3.03Å
80L97.7Very high95.8Very high7 Ų766 Ų664%0.03735%0.351CS..Hα-helixtrans-60.8-47.5179.7-71.5166.5000111.1S76 G82 Y83 Y84 L94 Y117 Y122S76-L80 WeakPolarHBondContact O-CB 3.49Å; S76-L80 VanDerWaalsContact O-CG 3.27Å; S76-L80 WeakPolarHBondContact O-CG 3.35Å; S76-L80 PolarHBondContact O-N 2.87Å; L80-G82 PolarHBondContact O-N 2.85Å; L80-Y83 PolarHBondContact O-N 2.8Å; L80-Y84 HydrophobicContact CD2-CE2 4.23Å; L80-Y84 VanDerWaalsContact O-CD2 3.27Å; L80-Y84 WeakPolarHBondContact O-CD2 3.18Å; L80-Y84 PolarHBondContact O-N 3.15Å; L80-L94 HydrophobicContact CD1-CD1 3.8Å; L80-L94 HydrophobicContact CD1-CD2 4.12Å; L80-L94 HydrophobicContact CD1-CG 4.38Å; L80-Y117 HydrophobicContact CB-CD1 4.3Å; L80-Y117 HydrophobicContact CB-CD2 4.22Å; L80-Y117 HydrophobicContact CB-CE1 3.92Å; L80-Y117 HydrophobicContact CB-CE2 3.85Å; L80-Y117 HydrophobicContact CB-CG 4.43Å; L80-Y117 HydrophobicContact CD1-CD2 3.62Å; L80-Y117 HydrophobicContact CD1-CE2 3.93Å; L80-Y117 HydrophobicContact CD1-CG 4.02Å; L80-Y117 HydrophobicContact CG-CD2 4.43Å; L80-Y122 HydrophobicContact CD2-CD1 4.31Å; L80-Y122 HydrophobicContact CD2-CD2 4.05Å; L80-Y122 HydrophobicContact CD2-CE1 3.75Å; L80-Y122 HydrophobicContact CD2-CE2 3.43Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.43Å; L80-Y122 HydrophobicContact CD2-CG 4.46Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.41Å
81R96.6Very high95.8Very high72 Ų7268.8 Ų68.827%0.27237%0.368SS..Hα-helixtrans-51.9-42.9173.6-172.2-172.568.2170.411.4111.9L77 N85 Q86 E88L77-R81 WeakPolarHBondContact O-CB 3.49Å; L77-R81 PolarHBondContact O-N 2.64Å; R81-N85 PolarHBondContact O-N 2.98Å; R81-N85 VanDerWaalsContact O-N 3.11Å; R81-Q86 HydrophobicContact CG-CB 3.88Å; R81-Q86 PolarHBondContact O-N 3.36Å; R81-E88 IonicContact CZ-OE1 3.94Å; R81-E88 VanDerWaalsContact CZ-OE1 3.3Å; R81-E88 IonicContact NH1-OE1 3.69Å; R81-E88 PolarHBondContact NH1-OE1 3.12Å; R81-E88 VanDerWaalsContact NH1-OE1 3.16Å; R81-E88 IonicContact NH2-OE1 2.88Å; R81-E88 PolarHBondContact NH2-OE1 3.27Å
82G96.6Very high95.8Very high41 Ų4164.5 Ų64.542%0.42335%0.348SS..Hα-helixtrans-66.5-43.9175.600000113.5R78 N79 L80 Y84 N85R78-G82 PolarHBondContact O-N 3.08Å; N79-G82 WeakPolarHBondContact O-CA 3.31Å; N79-G82 PolarHBondContact O-N 3.46Å; N79-G82 VanDerWaalsContact O-N 3.12Å; L80-G82 PolarHBondContact O-N 2.85Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 3.46Å; G82-N85 PolarHBondContact O-N 3.25Å; G82-N85 VanDerWaalsContact O-N 3.15Å; G82-N85 PolarHBondContact O-OD1 2.88Å
83Y97.3Very high95.9Very high58 Ų5864.3 Ų64.323%0.22734%0.342CS..Hα-helixtrans-63-34179-63.8-14000112.8N79 L80 I141 K145N79-Y83 HydrophobicContact CB-CE2 4.44Å; N79-Y83 WeakPolarHBondContact O-CD1 3.32Å; N79-Y83 PolarHBondContact O-N 3.03Å; L80-Y83 PolarHBondContact O-N 2.8Å; Y83-I141 HydrophobicContact CD1-CD1 4.19Å; Y83-I141 HydrophobicContact CE1-CG2 4.27Å; Y83-I141 HydrophobicContact CE2-CB 4.35Å; Y83-I141 HydrophobicContact CE2-CG2 4.08Å; Y83-I141 HydrophobicContact CG-CD1 4.23Å; Y83-K145 PolarHBondContact OH-NZ 3.3Å
84Y97.4Very high96.1Very high66 Ų6664.5 Ų64.526%0.25934%0.343SS..THydrogen-bonded Turntrans-93.13.2177.9-69.9-75.6000113.8L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.23Å; L80-Y84 VanDerWaalsContact O-CD2 3.27Å; L80-Y84 WeakPolarHBondContact O-CD2 3.18Å; L80-Y84 PolarHBondContact O-N 3.15Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 3.46Å; Y84-Q86 PolarHBondContact O-N 2.89Å; Y84-Y117 AromaticContact CD2-CD1 3.74Å; Y84-Y117 HydrophobicContact CD2-CD1 3.74Å; Y84-Y117 AromaticContact CD2-CE1 3.57Å; Y84-Y117 HydrophobicContact CD2-CE1 3.57Å; Y84-Y117 AromaticContact CE2-CD1 3.6Å; Y84-Y117 HydrophobicContact CE2-CD1 3.6Å; Y84-Y117 AromaticContact CE2-CE1 3.95Å; Y84-Y117 HydrophobicContact CE2-CE1 3.95Å; Y84-Y117 HydrophobicContact CG-CE1 4.39Å; Y84-Y122 HydrophobicContact CE2-CD2 4.24Å; Y84-Y122 AromaticContact CE2-CE2 3.93Å; Y84-Y122 HydrophobicContact CE2-CE2 3.93Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.27Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.46Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.11Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.24Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.5Å; Y84-D136 VanDerWaalsContact OH-CG 3.24Å; Y84-D136 PolarHBondContact OH-OD1 2.95Å; Y84-D136 VanDerWaalsContact OH-OD1 3.13Å; Y84-D136 PolarHBondContact OH-OD2 3.02Å; Y84-A138 HydrophobicContact CD1-CB 4.21Å; Y84-A138 HydrophobicContact CD2-CB 4.46Å; Y84-A138 HydrophobicContact CE1-CB 3.68Å; Y84-A138 HydrophobicContact CE2-CB 3.94Å
85N96.4Very high96.1Very high150 Ų15065.6 Ų65.680%0.80235%0.351SS*.THydrogen-bonded Turntrans50.440.5-177-59.4-56.1000113.4R81 G82R81-N85 PolarHBondContact O-N 2.98Å; R81-N85 VanDerWaalsContact O-N 3.11Å; G82-N85 PolarHBondContact O-N 3.25Å; G82-N85 VanDerWaalsContact O-N 3.15Å; G82-N85 PolarHBondContact O-OD1 2.88Å
86Q96.4Very high96.2Very high59 Ų5963.9 Ų63.928%0.27634%0.337SS..  trans-85.7154.4-177.4-70.1166.5-37.400111.8R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.88Å; R81-Q86 PolarHBondContact O-N 3.36Å; Y84-Q86 PolarHBondContact O-N 2.89Å; Q86-H92 PolarHBondContact NE2-CE1 3.3Å; Q86-H92 PolarHBondContact OE1-CE1 3.09Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.29Å; Q86-Y117 PolarHBondContact OE1-OH 3.27Å; Q86-D118 PolarHBondContact NE2-OD2 3.13Å
87S93.8Very high96.2Very high74 Ų7463.2 Ų63.252%0.51733%0.329SS..  trans-69.7158.6-17965.40000112.7D89S87-D89 VanDerWaalsContact C-N 3.3Å; S87-D89 PolarHBondContact O-N 3.46Å
88E89.4Confident95.9Very high130 Ų13062.8 Ų62.861%0.60733%0.327SS*.THydrogen-bonded Turntrans-72.4-25.7178.1-57.6-146.7119.500113.5P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.27Å; P14-E88 VanDerWaalsContact CG-O 3.31Å; P14-E88 WeakPolarHBondContact CG-O 3.37Å; R81-E88 IonicContact CZ-OE1 3.94Å; R81-E88 VanDerWaalsContact CZ-OE1 3.3Å; R81-E88 IonicContact NH1-OE1 3.69Å; R81-E88 PolarHBondContact NH1-OE1 3.12Å; R81-E88 VanDerWaalsContact NH1-OE1 3.16Å; R81-E88 IonicContact NH2-OE1 2.88Å; R81-E88 PolarHBondContact NH2-OE1 3.27Å; E88-G90 VanDerWaalsContact C-N 3.27Å; E88-G90 PolarHBondContact O-N 3.14Å
89D90.8Very high95.7Very high144 Ų14456.5 Ų56.577%0.7730%0.303SS*.THydrogen-bonded Turntrans-81.7-7.2-178-57.7-39.1000113S87S87-D89 VanDerWaalsContact C-N 3.3Å; S87-D89 PolarHBondContact O-N 3.46Å
90G92.6Very high95.4Very high20 Ų2053 Ų5321%0.20629%0.285CS..  trans-74.6130.9176.400000112.9P14 E88 H92P14-G90 WeakPolarHBondContact CG-O 2.93Å; E88-G90 VanDerWaalsContact C-N 3.27Å; E88-G90 PolarHBondContact O-N 3.14Å; G90-H92 PolarHBondContact O-CD2 3.48Å
91S96.4Very high95.1Very high77 Ų7754.3 Ų54.354%0.53829%0.292SS..  trans-84.4130.6165.8-176.70000109.2S12S12-S91 PolarHBondContact O-OG 2.71Å
92H98.1Very high94.6Very high16 Ų1651.1 Ų51.17%0.07428%0.28CS..  trans-130.5148.2-174-62.7-71.6000110.6V11 S12 L77 Q86 G90 Y117 D118V11-H92 CarbonylContact C-O 3.58Å; V11-H92 WeakPolarHBondContact CA-O 3.49Å; S12-H92 PolarHBondContact N-O 2.97Å; S12-H92 PolarHBondContact OG-N 3.06Å; S12-H92 PolarHBondContact OG-O 3.29Å; L77-H92 HydrophobicContact CD2-CB 4.36Å; Q86-H92 PolarHBondContact NE2-CE1 3.3Å; Q86-H92 PolarHBondContact OE1-CE1 3.09Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.29Å; G90-H92 PolarHBondContact O-CD2 3.48Å; H92-Y117 HydrophobicContact CB-CE2 3.79Å; H92-Y117 WeakPolarHBondContact CB-OH 3.39Å; H92-Y117 VanDerWaalsContact CG-OH 3.24Å; H92-Y117 PolarHBondContact ND1-OH 3.29Å; H92-D118 WeakPolarHBondContact CA-OD1 3.38Å; H92-D118 WeakPolarHBondContact CB-OD1 3.17Å; H92-D118 IonicContact CE1-OD2 3.55Å; H92-D118 IonicContact CG-OD1 3.6Å; H92-D118 IonicContact CG-OD2 3.54Å; H92-D118 IonicContact ND1-OD1 3.72Å; H92-D118 IonicContact ND1-OD2 3.73Å; H92-D118 PolarHBondContact ND1-OD2 3.45Å
93T98.5Very high94.2Very high40 Ų4049.2 Ų49.225%0.24526%0.26CS..EExtended strand (participates in β ladder)trans-121.6124.2-177.8-58.60000110.5T9 A10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 4Å; A10-T93 WeakPolarHBondContact O-CA 3.33Å; V11-T93 HydrophobicContact CG2-CG2 4.13Å; T93-Q95 HydrophobicContact CG2-CG 3.83Å; T93-Y117 CarbonylContact O-C 3.52Å; T93-Y117 WeakPolarHBondContact O-CA 3.28Å; T93-Y117 WeakPolarHBondContact O-CD2 3.44Å; T93-D118 PolarHBondContact N-OD1 3.22Å; T93-D118 PolarHBondContact O-N 3.09Å
94L98.6Very high93.6Very high11 Ų1151.9 Ų51.96%0.05829%0.285CS..EExtended strand (participates in β ladder)trans-106.6127.3168.6174.360.9000108.2T9 A10 D73 L77 L80 A116 Y117T9-L94 WeakPolarHBondContact CA-O 3.46Å; A10-L94 PolarHBondContact N-O 3.06Å; A10-L94 PolarHBondContact O-N 2.87Å; D73-L94 HydrophobicContact CB-CD2 4.33Å; L77-L94 HydrophobicContact CD2-CB 3.65Å; L77-L94 HydrophobicContact CG-CB 4.09Å; L80-L94 HydrophobicContact CD1-CD1 3.8Å; L80-L94 HydrophobicContact CD1-CD2 4.12Å; L80-L94 HydrophobicContact CD1-CG 4.38Å; L94-A116 WeakPolarHBondContact CD1-O 3.39Å; L94-Y117 HydrophobicContact CB-CD2 4.47Å
95Q98.5Very high92.8Very high82 Ų8253.4 Ų53.438%0.38330%0.297SS..EExtended strand (participates in β ladder)trans-120.7140.6175.2-58.2-176.6-80.800109.4D8 T9 T93 S115 A116D8-Q95 CarbonylContact O-C 3.49Å; D8-Q95 VanDerWaalsContact O-CA 3.29Å; D8-Q95 WeakPolarHBondContact O-CA 3.45Å; T9-Q95 HydrophobicContact CG2-CG 4.12Å; T93-Q95 HydrophobicContact CG2-CG 3.83Å; Q95-S115 CarbonylContact O-C 3.55Å; Q95-S115 WeakPolarHBondContact O-CA 3.31Å; Q95-A116 HydrophobicContact CB-CB 4.48Å; Q95-A116 PolarHBondContact N-O 3.01Å; Q95-A116 PolarHBondContact O-N 2.84Å
96R97.4Very high91.9Very high37 Ų3747 Ų4714%0.1427%0.267CS..EExtended strand (participates in β ladder)trans-130.1128.9172.2-178.9178.9174.2-136.78.7110F7 D8 D113 Q114F7-R96 WeakPolarHBondContact CA-O 3.41Å; D8-R96 HydrophobicContact CB-CB 4.3Å; D8-R96 PolarHBondContact N-O 2.94Å; D8-R96 PolarHBondContact O-N 3.29Å; R96-D113 IonicContact CZ-OD1 3.72Å; R96-D113 VanDerWaalsContact CZ-OD1 3.27Å; R96-D113 IonicContact NE-OD1 2.76Å; R96-D113 PolarHBondContact NE-OD1 2.85Å; R96-D113 VanDerWaalsContact NE-OD1 3.12Å; R96-D113 IonicContact NE-OD2 3.72Å; R96-D113 IonicContact NH2-OD1 2.8Å; R96-D113 PolarHBondContact NH2-OD1 2.83Å; R96-Q114 CarbonylContact C-O 3.55Å; R96-Q114 VanDerWaalsContact CA-O 3.25Å; R96-Q114 WeakPolarHBondContact CA-O 3.39Å
97M96.6Very high91.3Very high28 Ų2851.2 Ų51.214%0.13828%0.28CS..EExtended strand (participates in β ladder)trans-105.9124167.2-171.4-81-66.400108.7R5 Y6 F7 Y112 D113 Q114R5-M97 HydrophobicContact CG-SD 4.44Å; Y6-M97 WeakPolarHBondContact O-CA 3.14Å; F7-M97 HydrophobicContact CD1-CB 4.06Å; F7-M97 HydrophobicContact CD1-CG 3.75Å; F7-M97 HydrophobicContact CE1-CB 4.14Å; F7-M97 HydrophobicContact CE1-CG 3.42Å; F7-M97 VanDerWaalsContact CE1-CG 3.42Å; F7-M97 HydrophobicContact CZ-CG 3.99Å; M97-Y112 HydrophobicContact CE-CD1 3.83Å; M97-Y112 HydrophobicContact CE-CG 3.98Å; M97-Y112 HydrophobicContact SD-CG 4.31Å; M97-D113 WeakPolarHBondContact O-CA 3.32Å; M97-Q114 HydrophobicContact CE-CB 4.45Å; M97-Q114 HydrophobicContact CE-CG 4.19Å; M97-Q114 VanDerWaalsContact CE-OE1 3.24Å; M97-Q114 PolarHBondContact N-O 2.86Å; M97-Q114 PolarHBondContact O-N 2.78Å
98S92.8Very high90.9Very high0 Ų049.6 Ų49.60%027%0.265CS..EExtended strand (participates in β ladder)trans-131.3145.9174.566.70000110.6R5 Y6 Y112R5-S98 CarbonylContact C-O 3.43Å; R5-S98 WeakPolarHBondContact CA-O 3.39Å; Y6-S98 PolarHBondContact N-O 2.91Å; Y6-S98 PolarHBondContact O-N 3.46Å; S98-Y112 VanDerWaalsContact CA-O 3.29Å; S98-Y112 WeakPolarHBondContact CA-O 3.45Å
99G91.4Very high90.9Very high0 Ų049 Ų490%027%0.266CS..EExtended strand (participates in β ladder)trans170.9-172.7-174.900000114.2M4 G111 Y112M4-G99 CarbonylContact O-C 3.56Å; M4-G99 WeakPolarHBondContact O-CA 3.5Å; G99-G111 CarbonylContact O-C 3.47Å; G99-Y112 PolarHBondContact N-O 3.21Å; G99-Y112 PolarHBondContact O-N 2.96Å
100C90.5Very high90.9Very high1 Ų145.3 Ų45.31%0.00724%0.241CC..EExtended strand (participates in β ladder)trans-157.4158174.697.20000112.8S3 M4 L102 L108 R110 C178S3-C100 WeakPolarHBondContact CA-O 3.23Å; M4-C100 PolarHBondContact N-O 2.63Å; M4-C100 PolarHBondContact O-N 2.87Å; C100-L102 VanDerWaalsContact SG-CD2 3.6Å; C100-L108 HydrophobicContact CB-CD1 3.57Å; C100-R110 CarbonylContact C-O 3.56Å; C100-R110 WeakPolarHBondContact CA-O 3.45Å; C100-R110 WeakPolarHBondContact CB-O 3.39Å; C100-C178 HydrophobicContact CB-CB 3.71Å; C100-C178 WeakPolarHBondContact CB-SG 3.29Å; C100-C178 WeakPolarHBondContact SG-CB 3.33Å; C100-C178 CovalentContact SG-SG 2.01Å; C100-C178 PolarHBondContact SG-SG 3.07Å
101D90.6Very high90.8Very high35 Ų3544.5 Ų44.519%0.18723%0.233CC..EExtended strand (participates in β ladder)trans-109.1136.5169.3-57.1-40.6000109.5S3 R5 L109 R110 Y112S3-D101 VanDerWaalsContact CB-OD1 3.23Å; S3-D101 WeakPolarHBondContact CB-OD1 3.34Å; R5-D101 IonicContact CZ-OD1 3.92Å; R5-D101 IonicContact NH1-OD1 3.81Å; R5-D101 IonicContact NH2-OD1 2.8Å; R5-D101 PolarHBondContact NH2-OD1 2.81Å; R5-D101 IonicContact NH2-OD2 3.55Å; D101-L109 PolarHBondContact O-N 2.96Å; D101-R110 HydrophobicContact CB-CB 4.36Å; D101-R110 PolarHBondContact N-O 2.87Å; D101-R110 PolarHBondContact O-N 2.77Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.47Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.28Å; D101-Y112 PolarHBondContact OD2-OH 2.82Å
102L87Confident90.7Very high4 Ų442.5 Ų42.52%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-115.1139.4179.4-58.5-178.8000111S1 H2 C100 R107 L108 A163 W171S1-L102 CarbonylContact C-O 3.55Å; S1-L102 WeakPolarHBondContact CA-O 3.02Å; S1-L102 VanDerWaalsContact CB-O 3.31Å; S1-L102 WeakPolarHBondContact CB-O 3.4Å; H2-L102 PolarHBondContact N-O 2.63Å; H2-L102 PolarHBondContact O-N 2.64Å; C100-L102 VanDerWaalsContact SG-CD2 3.6Å; L102-R107 CarbonylContact C-O 3.51Å; L102-R107 VanDerWaalsContact CA-O 3.31Å; L102-R107 WeakPolarHBondContact CA-O 3.37Å; L102-L108 HydrophobicContact CD2-CB 4.45Å; L102-L108 HydrophobicContact CD2-CD1 4.41Å; L102-A163 HydrophobicContact CD2-CB 4.05Å; L102-W171 HydrophobicContact CD1-CD2 3.69Å; L102-W171 HydrophobicContact CD1-CE3 4.12Å; L102-W171 HydrophobicContact CD1-CG 4.25Å; L102-W171 HydrophobicContact CD1-CH2 3.98Å; L102-W171 HydrophobicContact CD1-CZ2 3.54Å; L102-W171 HydrophobicContact CD1-CZ3 4.23Å
103G87.4Confident90.6Very high1 Ų142.2 Ų42.21%0.0121%0.213CC..  trans-70.9173175.600000112.6D105 G106 R107 L109G103-D105 PolarHBondContact O-N 3.21Å; G103-G106 PolarHBondContact O-N 2.7Å; G103-R107 PolarHBondContact N-O 3.19Å; G103-L109 VanDerWaalsContact CA-CD1 3.48Å
104P84.6Confident90.5Very high114 Ų11443.9 Ų43.974%0.7422%0.218SC*.THydrogen-bonded Turntrans-58-26.5172.8-21.833.4000113.2S1 G106S1-P104 WeakPolarHBondContact OG-CD 3.24Å; P104-G106 VanDerWaalsContact C-N 3.26Å; P104-G106 PolarHBondContact O-N 2.78Å
105D81.8Confident90.5Very high98 Ų9844.5 Ų44.552%0.52422%0.223SC..THydrogen-bonded Turntrans-84.35.4176.666.3-15000113.6G103 R107G103-D105 PolarHBondContact O-N 3.21Å; D105-R107 PolarHBondContact O-N 2.94Å; D105-R107 WeakPolarHBondContact OD1-CB 3.45Å; D105-R107 PolarHBondContact OD1-N 3.33Å; D105-R107 VanDerWaalsContact OD1-N 3.15Å; D105-R107 WeakPolarHBondContact OD2-CD 3.19Å; D105-R107 VanDerWaalsContact OD2-CG 3.32Å; D105-R107 WeakPolarHBondContact OD2-CG 3.31Å; D105-R107 IonicContact OD2-CZ 2.99Å; D105-R107 IonicContact OD2-NE 3.94Å; D105-R107 IonicContact OD2-NH1 3.4Å
106G77.4Confident90.5Very high15 Ų1541.4 Ų41.416%0.15521%0.211CC..SBendtrans73.44.4-178.500000114.3G103 P104G103-G106 PolarHBondContact O-N 2.7Å; P104-G106 VanDerWaalsContact C-N 3.26Å; P104-G106 PolarHBondContact O-N 2.78Å
107R83.1Confident90.6Very high149 Ų14940.1 Ų40.156%0.56221%0.207SC*.  trans-82.2148.7179.5-64.2-171.8-179.5156.4-6.6111.6L102 G103 D105 L109L102-R107 CarbonylContact C-O 3.51Å; L102-R107 VanDerWaalsContact CA-O 3.31Å; L102-R107 WeakPolarHBondContact CA-O 3.37Å; G103-R107 PolarHBondContact N-O 3.19Å; D105-R107 PolarHBondContact O-N 2.94Å; D105-R107 WeakPolarHBondContact OD1-CB 3.45Å; D105-R107 PolarHBondContact OD1-N 3.33Å; D105-R107 VanDerWaalsContact OD1-N 3.15Å; D105-R107 WeakPolarHBondContact OD2-CD 3.19Å; D105-R107 VanDerWaalsContact OD2-CG 3.32Å; D105-R107 WeakPolarHBondContact OD2-CG 3.31Å; D105-R107 IonicContact OD2-CZ 2.99Å; D105-R107 IonicContact OD2-NE 3.94Å; D105-R107 IonicContact OD2-NH1 3.4Å; R107-L109 PolarHBondContact O-N 3.02Å
108L85.8Confident90.6Very high39 Ų3941.8 Ų41.820%0.20422%0.216CC..EExtended strand (participates in β ladder)trans-60.6115.9174.6-178.569000110.4C100 L102 R110 L129 W159 R160 A163C100-L108 HydrophobicContact CB-CD1 3.57Å; L102-L108 HydrophobicContact CD2-CB 4.45Å; L102-L108 HydrophobicContact CD2-CD1 4.41Å; L108-R110 WeakPolarHBondContact CD1-O 3.11Å; L108-L129 HydrophobicContact CD2-CD1 4.07Å; L108-W159 HydrophobicContact CD1-CB 4.49Å; L108-W159 HydrophobicContact CD2-CB 3.91Å; L108-R160 HydrophobicContact CD2-CG 4.24Å; L108-A163 HydrophobicContact CB-CB 4.06Å
109L88.9Confident90.8Very high119 Ų11944.8 Ų44.862%0.62325%0.247SC*.EExtended strand (participates in β ladder)trans-89.9-43.9170.2-66.7178.7000110.8D101 G103 R107D101-L109 PolarHBondContact O-N 2.96Å; G103-L109 VanDerWaalsContact CA-CD1 3.48Å; R107-L109 PolarHBondContact O-N 3.02Å
110R90.9Very high91.2Very high66 Ų6652.4 Ų52.425%0.24928%0.28CS..EExtended strand (participates in β ladder)trans-151.2141.6-175.9-173.9175.2-178.3105.3-2.8111.4C100 D101 L108 Y112 E127C100-R110 CarbonylContact C-O 3.56Å; C100-R110 WeakPolarHBondContact CA-O 3.45Å; C100-R110 WeakPolarHBondContact CB-O 3.39Å; D101-R110 HydrophobicContact CB-CB 4.36Å; D101-R110 PolarHBondContact N-O 2.87Å; D101-R110 PolarHBondContact O-N 2.77Å; L108-R110 WeakPolarHBondContact CD1-O 3.11Å; R110-Y112 HydrophobicContact CB-CE2 4.37Å; R110-Y112 VanDerWaalsContact CD-OH 3.3Å; R110-Y112 WeakPolarHBondContact CD-OH 3.14Å; R110-Y112 HydrophobicContact CG-CD2 4.48Å; R110-Y112 HydrophobicContact CG-CE1 4.31Å; R110-Y112 HydrophobicContact CG-CE2 3.99Å; R110-E127 IonicContact CZ-OE1 2.63Å; R110-E127 VanDerWaalsContact NH1-CG 3.34Å; R110-E127 IonicContact NH1-OE1 3.21Å; R110-E127 PolarHBondContact NH1-OE1 2.84Å; R110-E127 IonicContact NH1-OE2 3.43Å; R110-E127 PolarHBondContact NH1-OE2 2.95Å; R110-E127 IonicContact NH2-OE1 2.7Å; R110-E127 PolarHBondContact NH2-OE1 3.4Å
111G91.5Very high91.5Very high3 Ų358.9 Ų58.93%0.03131%0.314CS..EExtended strand (participates in β ladder)trans-113.3152.7169.200000111.1G99G99-G111 CarbonylContact O-C 3.47Å
112Y93.8Very high91.9Very high34 Ų3457.7 Ų57.713%0.13331%0.307CS..EExtended strand (participates in β ladder)trans-130133.8-179-57.8-93.4000110.2R5 M97 S98 G99 D101 R110 W159R5-Y112 PolarHBondContact NH2-OH 2.56Å; M97-Y112 HydrophobicContact CE-CD1 3.83Å; M97-Y112 HydrophobicContact CE-CG 3.98Å; M97-Y112 HydrophobicContact SD-CG 4.31Å; S98-Y112 VanDerWaalsContact CA-O 3.29Å; S98-Y112 WeakPolarHBondContact CA-O 3.45Å; G99-Y112 PolarHBondContact N-O 3.21Å; G99-Y112 PolarHBondContact O-N 2.96Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.47Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.28Å; D101-Y112 PolarHBondContact OD2-OH 2.82Å; R110-Y112 HydrophobicContact CB-CE2 4.37Å; R110-Y112 VanDerWaalsContact CD-OH 3.3Å; R110-Y112 WeakPolarHBondContact CD-OH 3.14Å; R110-Y112 HydrophobicContact CG-CD2 4.48Å; R110-Y112 HydrophobicContact CG-CE1 4.31Å; R110-Y112 HydrophobicContact CG-CE2 3.99Å; Y112-W159 WeakPolarHBondContact O-CH2 3.44Å; Y112-W159 WeakPolarHBondContact O-CZ2 3.36Å
113D95.1Very high92.5Very high11 Ų1157.9 Ų57.96%0.05931%0.308CS..EExtended strand (participates in β ladder)trans-147.5104.9165.3-164.594.7000107.7R96 M97 L125 W132 L155 W159R96-D113 IonicContact CZ-OD1 3.72Å; R96-D113 VanDerWaalsContact CZ-OD1 3.27Å; R96-D113 IonicContact NE-OD1 2.76Å; R96-D113 PolarHBondContact NE-OD1 2.85Å; R96-D113 VanDerWaalsContact NE-OD1 3.12Å; R96-D113 IonicContact NE-OD2 3.72Å; R96-D113 IonicContact NH2-OD1 2.8Å; R96-D113 PolarHBondContact NH2-OD1 2.83Å; M97-D113 WeakPolarHBondContact O-CA 3.32Å; D113-L125 HydrophobicContact CB-CB 3.98Å; D113-L125 HydrophobicContact CB-CD2 4.31Å; D113-L125 PolarHBondContact O-N 3.28Å; D113-W132 HydrophobicContact CB-CH2 4.22Å; D113-W132 HydrophobicContact CB-CZ3 4.29Å; D113-L155 HydrophobicContact CB-CD1 4.16Å; D113-W159 HydrophobicContact CB-CH2 4.16Å; D113-W159 HydrophobicContact CB-CZ2 4.43Å
114Q97.4Very high93Very high75 Ų7559.1 Ų59.135%0.3532%0.319SS..EExtended strand (participates in β ladder)trans-135.3133.4-172.4-60.8179-10.800108.9R96 M97 A124R96-Q114 CarbonylContact C-O 3.55Å; R96-Q114 VanDerWaalsContact CA-O 3.25Å; R96-Q114 WeakPolarHBondContact CA-O 3.39Å; M97-Q114 HydrophobicContact CE-CB 4.45Å; M97-Q114 HydrophobicContact CE-CG 4.19Å; M97-Q114 VanDerWaalsContact CE-OE1 3.24Å; M97-Q114 PolarHBondContact N-O 2.86Å; M97-Q114 PolarHBondContact O-N 2.78Å; Q114-A124 HydrophobicContact CB-CB 4.46Å; Q114-A124 HydrophobicContact CG-CB 3.91Å
115S98.2Very high93.6Very high23 Ų2354 Ų5416%0.16129%0.285CS..EExtended strand (participates in β ladder)trans-121.8142.5175.2-54.10000111Q95 Y122 I123Q95-S115 CarbonylContact O-C 3.55Å; Q95-S115 WeakPolarHBondContact O-CA 3.31Å; S115-Y122 WeakPolarHBondContact O-CB 3.26Å; S115-Y122 PolarHBondContact O-N 3.02Å; S115-I123 PolarHBondContact N-O 3.3Å; S115-I123 PolarHBondContact O-N 2.8Å
116A98.6Very high94.3Very high17 Ų1751.4 Ų51.414%0.1427%0.271CS..EExtended strand (participates in β ladder)trans-125145.5172.900000110L94 Q95 K120L94-A116 WeakPolarHBondContact CD1-O 3.39Å; Q95-A116 HydrophobicContact CB-CB 4.48Å; Q95-A116 PolarHBondContact N-O 3.01Å; Q95-A116 PolarHBondContact O-N 2.84Å; A116-K120 CarbonylContact C-O 3.44Å; A116-K120 WeakPolarHBondContact CA-O 3.47Å; A116-K120 VanDerWaalsContact CB-O 3.27Å; A116-K120 WeakPolarHBondContact CB-O 3.37Å
117Y98.6Very high95.1Very high11 Ų1157.3 Ų57.34%0.04330%0.295CS..EExtended strand (participates in β ladder)trans-127127.1178.2-173.5-122.7000110.1L77 L80 Y84 Q86 H92 T93 L94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.02Å; L80-Y117 HydrophobicContact CB-CD1 4.3Å; L80-Y117 HydrophobicContact CB-CD2 4.22Å; L80-Y117 HydrophobicContact CB-CE1 3.92Å; L80-Y117 HydrophobicContact CB-CE2 3.85Å; L80-Y117 HydrophobicContact CB-CG 4.43Å; L80-Y117 HydrophobicContact CD1-CD2 3.62Å; L80-Y117 HydrophobicContact CD1-CE2 3.93Å; L80-Y117 HydrophobicContact CD1-CG 4.02Å; L80-Y117 HydrophobicContact CG-CD2 4.43Å; Y84-Y117 AromaticContact CD2-CD1 3.74Å; Y84-Y117 HydrophobicContact CD2-CD1 3.74Å; Y84-Y117 AromaticContact CD2-CE1 3.57Å; Y84-Y117 HydrophobicContact CD2-CE1 3.57Å; Y84-Y117 AromaticContact CE2-CD1 3.6Å; Y84-Y117 HydrophobicContact CE2-CD1 3.6Å; Y84-Y117 AromaticContact CE2-CE1 3.95Å; Y84-Y117 HydrophobicContact CE2-CE1 3.95Å; Y84-Y117 HydrophobicContact CG-CE1 4.39Å; Q86-Y117 PolarHBondContact OE1-OH 3.27Å; H92-Y117 HydrophobicContact CB-CE2 3.79Å; H92-Y117 WeakPolarHBondContact CB-OH 3.39Å; H92-Y117 VanDerWaalsContact CG-OH 3.24Å; H92-Y117 PolarHBondContact ND1-OH 3.29Å; T93-Y117 CarbonylContact O-C 3.52Å; T93-Y117 WeakPolarHBondContact O-CA 3.28Å; T93-Y117 WeakPolarHBondContact O-CD2 3.44Å; L94-Y117 HydrophobicContact CB-CD2 4.47Å; Y117-G119 PolarHBondContact O-N 3.43Å; Y117-K120 PolarHBondContact N-O 3.21Å; Y117-K120 PolarHBondContact O-N 3.48Å
118D98Very high95.6Very high63 Ų6353.7 Ų53.734%0.33729%0.286SS..THydrogen-bonded Turntrans49.440.1-174.8-66-20.5000113.3Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 3.13Å; H92-D118 WeakPolarHBondContact CA-OD1 3.38Å; H92-D118 WeakPolarHBondContact CB-OD1 3.17Å; H92-D118 IonicContact CE1-OD2 3.55Å; H92-D118 IonicContact CG-OD1 3.6Å; H92-D118 IonicContact CG-OD2 3.54Å; H92-D118 IonicContact ND1-OD1 3.72Å; H92-D118 IonicContact ND1-OD2 3.73Å; H92-D118 PolarHBondContact ND1-OD2 3.45Å; T93-D118 PolarHBondContact N-OD1 3.22Å; T93-D118 PolarHBondContact O-N 3.09Å; D118-K120 VanDerWaalsContact C-N 3.29Å; D118-K120 PolarHBondContact O-N 2.99Å
119G97.1Very high95.8Very high62 Ų6252.5 Ų52.564%0.63928%0.28SS*.THydrogen-bonded Turntrans77.46.8177.800000115.2Y117Y117-G119 PolarHBondContact O-N 3.43Å
120K98.3Very high96.1Very high160 Ų16053.9 Ų53.970%0.69628%0.277SS*.EExtended strand (participates in β ladder)trans-111.6146.6175.7-62.3179.1-177.4176.50110.6A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.44Å; A116-K120 WeakPolarHBondContact CA-O 3.47Å; A116-K120 VanDerWaalsContact CB-O 3.27Å; A116-K120 WeakPolarHBondContact CB-O 3.37Å; Y117-K120 PolarHBondContact N-O 3.21Å; Y117-K120 PolarHBondContact O-N 3.48Å; D118-K120 VanDerWaalsContact C-N 3.29Å; D118-K120 PolarHBondContact O-N 2.99Å; K120-Y122 PolarHBondContact O-N 2.01Å
121D98.4Very high96.3Very high138 Ų13852.5 Ų52.574%0.73828%0.278SS*.EExtended strand (participates in β ladder)trans-54.5136.7172.6-68-19.1000110.1A135D121-A135 HydrophobicContact CB-CB 4.2Å; D121-A135 WeakPolarHBondContact O-CB 3.36Å
122Y98.6Very high96.6Very high9 Ų953 Ų534%0.03528%0.278CS..EExtended strand (participates in β ladder)trans-115.7-62.1177.8-179.4-108.6000110.3L80 Y84 S115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.31Å; L80-Y122 HydrophobicContact CD2-CD2 4.05Å; L80-Y122 HydrophobicContact CD2-CE1 3.75Å; L80-Y122 HydrophobicContact CD2-CE2 3.43Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.43Å; L80-Y122 HydrophobicContact CD2-CG 4.46Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.41Å; Y84-Y122 HydrophobicContact CE2-CD2 4.24Å; Y84-Y122 AromaticContact CE2-CE2 3.93Å; Y84-Y122 HydrophobicContact CE2-CE2 3.93Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.27Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.46Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.11Å; S115-Y122 WeakPolarHBondContact O-CB 3.26Å; S115-Y122 PolarHBondContact O-N 3.02Å; K120-Y122 PolarHBondContact O-N 2.01Å; Y122-A135 WeakPolarHBondContact O-CB 3.37Å; Y122-A135 PolarHBondContact O-N 2.9Å; Y122-A138 PolarHBondContact OH-O 3.29Å; Y122-A139 HydrophobicContact CD2-CB 3.79Å; Y122-A139 HydrophobicContact CE1-CB 4.47Å; Y122-A139 VanDerWaalsContact CE2-CA 3.49Å; Y122-A139 HydrophobicContact CE2-CB 3.66Å; Y122-A139 HydrophobicContact CG-CB 4.27Å; Y122-A139 WeakPolarHBondContact O-CB 3.44Å; Y122-T142 HydrophobicContact CE1-CG2 4.18Å; Y122-T142 PolarHBondContact OH-OG1 3.4Å
123I98.4Very high96.8Very high9 Ų955 Ų555%0.04630%0.295CS..EExtended strand (participates in β ladder)trans-150.9141.7179.9-162.7169.2000111.2S115 W132 T133 T142 Q143 L146S115-I123 PolarHBondContact N-O 3.3Å; S115-I123 PolarHBondContact O-N 2.8Å; I123-W132 HydrophobicContact CD1-CB 4.3Å; I123-W132 HydrophobicContact CD1-CE3 4.27Å; I123-W132 HydrophobicContact CG1-CB 4.32Å; I123-W132 HydrophobicContact CG1-CE3 4.05Å; I123-T133 WeakPolarHBondContact CA-O 3.45Å; I123-T142 HydrophobicContact CD1-CG2 4Å; I123-Q143 HydrophobicContact CD1-CB 3.96Å; I123-L146 HydrophobicContact CD1-CD1 3.73Å
124A98.3Very high97Very high27 Ų2755.6 Ų55.622%0.22330%0.301CS..EExtended strand (participates in β ladder)trans-136.4137.2179.900000111.7Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 4.46Å; Q114-A124 HydrophobicContact CG-CB 3.91Å; A124-W132 CarbonylContact O-C 3.59Å; A124-W132 WeakPolarHBondContact O-CA 3.48Å; A124-T133 PolarHBondContact N-O 2.96Å; A124-T133 PolarHBondContact O-N 3.02Å
125L97.3Very high97Very high7 Ų754.8 Ų54.84%0.03731%0.307CS..EExtended strand (participates in β ladder)trans-71.8130168.7-175.869.4000109.4D113 L129 S131 W132 A152 L155 W159D113-L125 HydrophobicContact CB-CB 3.98Å; D113-L125 HydrophobicContact CB-CD2 4.31Å; D113-L125 PolarHBondContact O-N 3.28Å; L125-L129 HydrophobicContact CD2-CD2 3.88Å; L125-L129 HydrophobicContact CG-CD2 4.38Å; L125-S131 WeakPolarHBondContact CD1-O 3.48Å; L125-W132 HydrophobicContact CB-CD2 4.44Å; L125-W132 HydrophobicContact CB-CE3 3.89Å; L125-W132 HydrophobicContact CB-CH2 4.02Å; L125-W132 HydrophobicContact CB-CZ3 3.66Å; L125-W132 HydrophobicContact CD1-CD2 3.99Å; L125-W132 HydrophobicContact CD1-CE3 4.28Å; L125-W132 HydrophobicContact CD1-CH2 4.11Å; L125-W132 HydrophobicContact CD1-CZ2 3.78Å; L125-W132 HydrophobicContact CD1-CZ3 4.35Å; L125-A152 HydrophobicContact CD1-CB 3.66Å; L125-L155 HydrophobicContact CD2-CD1 4.36Å; L125-W159 HydrophobicContact CD2-CH2 3.51Å; L125-W159 HydrophobicContact CD2-CZ3 3.52Å
126N97.2Very high97Very high43 Ų4356.5 Ų56.523%0.2331%0.314CS..  trans-75.6162.6179.9-65.7-27.5000111.7D128 L129 S131 T133N126-D128 PolarHBondContact O-N 3.43Å; N126-D128 VanDerWaalsContact O-N 3.12Å; N126-L129 PolarHBondContact O-N 2.89Å; N126-S131 WeakPolarHBondContact CB-O 2.77Å; N126-S131 WeakPolarHBondContact CB-OG 3.24Å; N126-S131 PolarHBondContact N-O 3.41Å; N126-S131 PolarHBondContact ND2-OG 3.16Å; N126-T133 PolarHBondContact ND2-OG1 2.99Å; N126-T133 WeakPolarHBondContact OD1-CB 3.42Å; N126-T133 PolarHBondContact OD1-OG1 3.43Å
127E93.3Very high97Very high139 Ų13960.8 Ų60.865%0.6534%0.339SS*.THydrogen-bonded Turntrans-62.1-24.1-176-36.2-162.5147.800113.3R110 L129R110-E127 IonicContact CZ-OE1 2.63Å; R110-E127 VanDerWaalsContact NH1-CG 3.34Å; R110-E127 IonicContact NH1-OE1 3.21Å; R110-E127 PolarHBondContact NH1-OE1 2.84Å; R110-E127 IonicContact NH1-OE2 3.43Å; R110-E127 PolarHBondContact NH1-OE2 2.95Å; R110-E127 IonicContact NH2-OE1 2.7Å; R110-E127 PolarHBondContact NH2-OE1 3.4Å; E127-L129 PolarHBondContact O-N 3.36Å
128D93.6Very high96.9Very high72 Ų7260.9 Ų60.939%0.38534%0.342SS..THydrogen-bonded Turntrans-66.8-13175.868.93000113.3N126 R130 S131 R156N126-D128 PolarHBondContact O-N 3.43Å; N126-D128 VanDerWaalsContact O-N 3.12Å; D128-R130 WeakPolarHBondContact O-CG 3.28Å; D128-R130 PolarHBondContact O-N 3.05Å; D128-R130 PolarHBondContact OD1-N 2.98Å; D128-S131 VanDerWaalsContact CG-OG 3.24Å; D128-S131 PolarHBondContact OD1-N 3.49Å; D128-S131 PolarHBondContact OD1-OG 3.38Å; D128-S131 WeakPolarHBondContact OD2-CB 3.33Å; D128-S131 PolarHBondContact OD2-OG 3.38Å; D128-R156 PolarHBondContact O-NH1 3.14Å
129L91.5Very high96.9Very high15 Ų1557.9 Ų57.98%0.07933%0.326CS..SBendtrans52.637.5-173.7-50.8-173.4000112.4L108 L125 N126 E127 R156 W159L108-L129 HydrophobicContact CD2-CD1 4.07Å; L125-L129 HydrophobicContact CD2-CD2 3.88Å; L125-L129 HydrophobicContact CG-CD2 4.38Å; N126-L129 PolarHBondContact O-N 2.89Å; E127-L129 PolarHBondContact O-N 3.36Å; L129-R156 HydrophobicContact CB-CB 4.27Å; L129-R156 HydrophobicContact CB-CG 4.28Å; L129-R156 HydrophobicContact CD1-CG 4.36Å; L129-W159 HydrophobicContact CD1-CE3 4.15Å; L129-W159 HydrophobicContact CD1-CZ3 4.33Å; L129-W159 HydrophobicContact CD2-CE3 4.48Å; L129-W159 HydrophobicContact CD2-CZ3 3.84Å
130R93.6Very high97Very high147 Ų14758.3 Ų58.356%0.55531%0.311SS*.SBendtrans-139.4-34.8-176.8-69.5177.7-176.4-75.74.7112.4D128 R156D128-R130 WeakPolarHBondContact O-CG 3.28Å; D128-R130 PolarHBondContact O-N 3.05Å; D128-R130 PolarHBondContact OD1-N 2.98Å; R130-R156 VanDerWaalsContact CZ-NH1 3.3Å; R130-R156 VanDerWaalsContact NE-NH1 3.13Å
131S95.7Very high96.9Very high38 Ų3853.5 Ų53.527%0.26629%0.293SS..  trans-116.4162.2-176.562.20000111.9L125 N126 D128L125-S131 WeakPolarHBondContact CD1-O 3.48Å; N126-S131 WeakPolarHBondContact CB-O 2.77Å; N126-S131 WeakPolarHBondContact CB-OG 3.24Å; N126-S131 PolarHBondContact N-O 3.41Å; N126-S131 PolarHBondContact ND2-OG 3.16Å; D128-S131 VanDerWaalsContact CG-OG 3.24Å; D128-S131 PolarHBondContact OD1-N 3.49Å; D128-S131 PolarHBondContact OD1-OG 3.38Å; D128-S131 WeakPolarHBondContact OD2-CB 3.33Å; D128-S131 PolarHBondContact OD2-OG 3.38Å
132W98.2Very high96.9Very high12 Ų1248.4 Ų48.45%0.04527%0.267CS..EExtended strand (participates in β ladder)trans-120146.7179.5-61.287.1000110.2D113 I123 A124 L125 Q143 L146 A151 A152 L155D113-W132 HydrophobicContact CB-CH2 4.22Å; D113-W132 HydrophobicContact CB-CZ3 4.29Å; I123-W132 HydrophobicContact CD1-CB 4.3Å; I123-W132 HydrophobicContact CD1-CE3 4.27Å; I123-W132 HydrophobicContact CG1-CB 4.32Å; I123-W132 HydrophobicContact CG1-CE3 4.05Å; A124-W132 CarbonylContact O-C 3.59Å; A124-W132 WeakPolarHBondContact O-CA 3.48Å; L125-W132 HydrophobicContact CB-CD2 4.44Å; L125-W132 HydrophobicContact CB-CE3 3.89Å; L125-W132 HydrophobicContact CB-CH2 4.02Å; L125-W132 HydrophobicContact CB-CZ3 3.66Å; L125-W132 HydrophobicContact CD1-CD2 3.99Å; L125-W132 HydrophobicContact CD1-CE3 4.28Å; L125-W132 HydrophobicContact CD1-CH2 4.11Å; L125-W132 HydrophobicContact CD1-CZ2 3.78Å; L125-W132 HydrophobicContact CD1-CZ3 4.35Å; W132-Q143 HydrophobicContact CB-CG 4.22Å; W132-Q143 PolarHBondContact O-NE2 2.86Å; W132-Q143 VanDerWaalsContact O-NE2 3.13Å; W132-L146 HydrophobicContact CD2-CD1 3.84Å; W132-L146 HydrophobicContact CE3-CD1 3.95Å; W132-L146 HydrophobicContact CG-CD1 4.49Å; W132-L146 HydrophobicContact CH2-CD1 3.98Å; W132-L146 HydrophobicContact CZ2-CB 4.42Å; W132-L146 HydrophobicContact CZ2-CD1 3.86Å; W132-L146 HydrophobicContact CZ3-CD1 4.02Å; W132-A151 HydrophobicContact CZ2-CB 4.24Å; W132-A152 HydrophobicContact CZ2-CB 4.47Å; W132-L155 HydrophobicContact CH2-CD1 3.83Å; W132-L155 HydrophobicContact CZ2-CD1 4.03Å
133T98.4Very high96.8Very high78 Ų7850 Ų5048%0.47927%0.274SS..EExtended strand (participates in β ladder)trans-105118167.2-65.80000108.5I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.45Å; A124-T133 PolarHBondContact N-O 2.96Å; A124-T133 PolarHBondContact O-N 3.02Å; N126-T133 PolarHBondContact ND2-OG1 2.99Å; N126-T133 WeakPolarHBondContact OD1-CB 3.42Å; N126-T133 PolarHBondContact OD1-OG1 3.43Å
134A98.5Very high96.8Very high23 Ų2356.6 Ų56.619%0.1930%0.298CS..EExtended strand (participates in β ladder)trans-94.4135172.800000110A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.75Å; A134-Q140 HydrophobicContact CB-CG 4.02Å; A134-Q143 HydrophobicContact CB-CB 4.29Å
135A98.3Very high96.7Very high58 Ų5860.7 Ų60.748%0.47931%0.311SS..SBendtrans-77.4-31.3-176.600000113.4D121 Y122D121-A135 HydrophobicContact CB-CB 4.2Å; D121-A135 WeakPolarHBondContact O-CB 3.36Å; Y122-A135 WeakPolarHBondContact O-CB 3.37Å; Y122-A135 PolarHBondContact O-N 2.9Å
136D97.9Very high96.7Very high58 Ų5862.5 Ų62.531%0.3132%0.321SS..SBendtrans-149.5-176.8-178.666.727.3000112.9Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.24Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.5Å; Y84-D136 VanDerWaalsContact OH-CG 3.24Å; Y84-D136 PolarHBondContact OH-OD1 2.95Å; Y84-D136 VanDerWaalsContact OH-OD1 3.13Å; Y84-D136 PolarHBondContact OH-OD2 3.02Å; D136-A138 VanDerWaalsContact C-N 3.31Å; D136-A138 PolarHBondContact O-N 2.82Å; D136-A138 WeakPolarHBondContact OD1-CA 3.34Å; D136-A138 WeakPolarHBondContact OD1-CB 3.36Å; D136-A138 PolarHBondContact OD1-N 3.06Å; D136-A139 PolarHBondContact O-N 3.02Å; D136-A139 PolarHBondContact OD1-N 2.88Å; D136-Q140 WeakPolarHBondContact O-CG 3.47Å; D136-Q140 PolarHBondContact O-N 3.27Å; D136-Q140 VanDerWaalsContact O-N 3.09Å
137T97.5Very high96.7Very high108 Ų10864.8 Ų64.866%0.66333%0.33SS*.Hα-helixtrans-63.7-32.9-179.3-49.50000113.3Q140T137-Q140 WeakPolarHBondContact O-CB 3.22Å; T137-Q140 PolarHBondContact O-N 3.21Å
138A97.1Very high96.9Very high12 Ų1262.2 Ų62.210%0.09933%0.333CS..Hα-helixtrans-69.6-43.2176.200000110.3Y84 Y122 D136 Q140 I141Y84-A138 HydrophobicContact CD1-CB 4.21Å; Y84-A138 HydrophobicContact CD2-CB 4.46Å; Y84-A138 HydrophobicContact CE1-CB 3.68Å; Y84-A138 HydrophobicContact CE2-CB 3.94Å; Y122-A138 PolarHBondContact OH-O 3.29Å; D136-A138 VanDerWaalsContact C-N 3.31Å; D136-A138 PolarHBondContact O-N 2.82Å; D136-A138 WeakPolarHBondContact OD1-CA 3.34Å; D136-A138 WeakPolarHBondContact OD1-CB 3.36Å; D136-A138 PolarHBondContact OD1-N 3.06Å; A138-Q140 VanDerWaalsContact C-N 3.26Å; A138-Q140 PolarHBondContact O-N 3.4Å; A138-I141 VanDerWaalsContact O-CB 3.24Å; A138-I141 WeakPolarHBondContact O-CB 3.19Å; A138-I141 WeakPolarHBondContact O-CG1 3.18Å; A138-I141 PolarHBondContact O-N 2.85Å
139A98.1Very high97Very high0 Ų061.5 Ų61.50%034%0.337CS..Hα-helixtrans-60.8-31.8174.800000113.4Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD2-CB 3.79Å; Y122-A139 HydrophobicContact CE1-CB 4.47Å; Y122-A139 VanDerWaalsContact CE2-CA 3.49Å; Y122-A139 HydrophobicContact CE2-CB 3.66Å; Y122-A139 HydrophobicContact CG-CB 4.27Å; Y122-A139 WeakPolarHBondContact O-CB 3.44Å; A134-A139 HydrophobicContact CB-CB 3.75Å; D136-A139 PolarHBondContact O-N 3.02Å; D136-A139 PolarHBondContact OD1-N 2.88Å; A139-I141 PolarHBondContact O-N 2.87Å; A139-T142 PolarHBondContact O-N 2.76Å; A139-Q143 PolarHBondContact O-N 2.76Å
140Q98.4Very high97.2Very high71 Ų7168.7 Ų68.733%0.33236%0.363SS..Hα-helixtrans-60.6-27.3173.8-71.1176.54.300112.9A134 D136 T137 A138 Q143 R144A134-Q140 HydrophobicContact CB-CG 4.02Å; D136-Q140 WeakPolarHBondContact O-CG 3.47Å; D136-Q140 PolarHBondContact O-N 3.27Å; D136-Q140 VanDerWaalsContact O-N 3.09Å; T137-Q140 WeakPolarHBondContact O-CB 3.22Å; T137-Q140 PolarHBondContact O-N 3.21Å; A138-Q140 VanDerWaalsContact C-N 3.26Å; A138-Q140 PolarHBondContact O-N 3.4Å; Q140-Q143 PolarHBondContact O-N 2.62Å; Q140-R144 WeakPolarHBondContact O-CG 3.06Å; Q140-R144 PolarHBondContact O-N 3.49Å; Q140-R144 VanDerWaalsContact O-N 3.1Å
141I97.3Very high97.2Very high60 Ų6062.4 Ų62.431%0.30834%0.343SS..Hα-helixtrans-64.3-45.9173.9-57.3171.8000109.7Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.19Å; Y83-I141 HydrophobicContact CE1-CG2 4.27Å; Y83-I141 HydrophobicContact CE2-CB 4.35Å; Y83-I141 HydrophobicContact CE2-CG2 4.08Å; Y83-I141 HydrophobicContact CG-CD1 4.23Å; A138-I141 VanDerWaalsContact O-CB 3.24Å; A138-I141 WeakPolarHBondContact O-CB 3.19Å; A138-I141 WeakPolarHBondContact O-CG1 3.18Å; A138-I141 PolarHBondContact O-N 2.85Å; A139-I141 PolarHBondContact O-N 2.87Å; I141-K145 WeakPolarHBondContact O-CG 3.34Å; I141-K145 PolarHBondContact O-N 2.8Å
142T97.2Very high97.1Very high31 Ų3160.8 Ų60.819%0.1933%0.332CS..Hα-helixtrans-66-43.5175.7-66.90000111.3Y122 I123 A139 R144 K145 L146Y122-T142 HydrophobicContact CE1-CG2 4.18Å; Y122-T142 PolarHBondContact OH-OG1 3.4Å; I123-T142 HydrophobicContact CD1-CG2 4Å; A139-T142 PolarHBondContact O-N 2.76Å; T142-R144 PolarHBondContact O-N 3.49Å; T142-K145 WeakPolarHBondContact O-CB 3.49Å; T142-K145 PolarHBondContact O-N 3.47Å; T142-K145 VanDerWaalsContact O-N 3.11Å; T142-L146 HydrophobicContact CG2-CD1 3.91Å; T142-L146 HydrophobicContact CG2-CG 4.13Å; T142-L146 WeakPolarHBondContact O-CG 3.14Å; T142-L146 PolarHBondContact O-N 2.83Å
143Q98.2Very high96.8Very high41 Ų4164.9 Ų64.919%0.19235%0.351CS..Hα-helixtrans-52.6-52.5178175.817617.400111.9I123 W132 A134 A139 Q140 K145 L146 E147I123-Q143 HydrophobicContact CD1-CB 3.96Å; W132-Q143 HydrophobicContact CB-CG 4.22Å; W132-Q143 PolarHBondContact O-NE2 2.86Å; W132-Q143 VanDerWaalsContact O-NE2 3.13Å; A134-Q143 HydrophobicContact CB-CB 4.29Å; A139-Q143 PolarHBondContact O-N 2.76Å; Q140-Q143 PolarHBondContact O-N 2.62Å; Q143-K145 PolarHBondContact O-N 3.45Å; Q143-L146 PolarHBondContact O-N 2.65Å; Q143-L146 VanDerWaalsContact O-N 3.09Å; Q143-E147 HydrophobicContact CG-CG 4.36Å; Q143-E147 VanDerWaalsContact CG-OE1 3.27Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.42Å; Q143-E147 PolarHBondContact NE2-OE1 3.36Å; Q143-E147 WeakPolarHBondContact O-CG 3.43Å; Q143-E147 PolarHBondContact O-N 3.06Å
144R98.1Very high96.3Very high148 Ų14867 Ų6756%0.55836%0.355SS*.Hα-helixtrans-58.6-37-179.9-68.9171.6-169.1131.47.7112.4Q140 T142 A148Q140-R144 WeakPolarHBondContact O-CG 3.06Å; Q140-R144 PolarHBondContact O-N 3.49Å; Q140-R144 VanDerWaalsContact O-N 3.1Å; T142-R144 PolarHBondContact O-N 3.49Å; R144-A148 VanDerWaalsContact O-CB 3.3Å; R144-A148 WeakPolarHBondContact O-CB 3.11Å; R144-A148 PolarHBondContact O-N 3.12Å
145K96.4Very high95.8Very high114 Ų11466.9 Ų66.950%0.49635%0.352SS..Hα-helixtrans-67.3-43.5176-69.5176.2177.2-176.40112Y83 I141 T142 Q143 A148 A149Y83-K145 PolarHBondContact OH-NZ 3.3Å; I141-K145 WeakPolarHBondContact O-CG 3.34Å; I141-K145 PolarHBondContact O-N 2.8Å; T142-K145 WeakPolarHBondContact O-CB 3.49Å; T142-K145 PolarHBondContact O-N 3.47Å; T142-K145 VanDerWaalsContact O-N 3.11Å; Q143-K145 PolarHBondContact O-N 3.45Å; K145-A148 PolarHBondContact O-N 3.21Å; K145-A149 WeakPolarHBondContact O-CB 2.93Å; K145-A149 PolarHBondContact O-N 3.09Å
146L96.8Very high95.3Very high44 Ų4466.2 Ų66.223%0.2334%0.337CS..Hα-helixtrans-65.8-40.2178.5-67.7176.6000111.9I123 W132 T142 Q143 A149 R150 A151I123-L146 HydrophobicContact CD1-CD1 3.73Å; W132-L146 HydrophobicContact CD2-CD1 3.84Å; W132-L146 HydrophobicContact CE3-CD1 3.95Å; W132-L146 HydrophobicContact CG-CD1 4.49Å; W132-L146 HydrophobicContact CH2-CD1 3.98Å; W132-L146 HydrophobicContact CZ2-CB 4.42Å; W132-L146 HydrophobicContact CZ2-CD1 3.86Å; W132-L146 HydrophobicContact CZ3-CD1 4.02Å; T142-L146 HydrophobicContact CG2-CD1 3.91Å; T142-L146 HydrophobicContact CG2-CG 4.13Å; T142-L146 WeakPolarHBondContact O-CG 3.14Å; T142-L146 PolarHBondContact O-N 2.83Å; Q143-L146 PolarHBondContact O-N 2.65Å; Q143-L146 VanDerWaalsContact O-N 3.09Å; L146-A149 PolarHBondContact O-N 3.44Å; L146-R150 PolarHBondContact O-N 3.42Å; L146-R150 VanDerWaalsContact O-N 3.08Å; L146-A151 HydrophobicContact CB-CB 4.08Å; L146-A151 HydrophobicContact CD2-CB 3.75Å; L146-A151 WeakPolarHBondContact O-CB 3.19Å; L146-A151 PolarHBondContact O-N 3.02Å
147E97.1Very high94.7Very high91 Ų9166.2 Ų66.243%0.42535%0.345SS..Hα-helixtrans-65-47175.8-72.1171.4176.500111.3Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.36Å; Q143-E147 VanDerWaalsContact CG-OE1 3.27Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.42Å; Q143-E147 PolarHBondContact NE2-OE1 3.36Å; Q143-E147 WeakPolarHBondContact O-CG 3.43Å; Q143-E147 PolarHBondContact O-N 3.06Å; E147-A149 VanDerWaalsContact C-N 3.27Å; E147-A149 PolarHBondContact O-N 3.35Å; E147-R150 PolarHBondContact O-N 2.9Å
148A97.4Very high93.8Very high86 Ų8663.2 Ų63.271%0.71133%0.327SS*.Hα-helixtrans-60.3-37.1175.800000112.5R144 K145 R150R144-A148 VanDerWaalsContact O-CB 3.3Å; R144-A148 WeakPolarHBondContact O-CB 3.11Å; R144-A148 PolarHBondContact O-N 3.12Å; K145-A148 PolarHBondContact O-N 3.21Å; A148-R150 VanDerWaalsContact C-N 3.27Å; A148-R150 PolarHBondContact O-N 2.89Å
149A96.1Very high93Very high56 Ų5662.7 Ų62.746%0.46332%0.322SS..THydrogen-bonded Turntrans-79.9-4.2176.700000114K145 L146 E147 A151 Q154K145-A149 WeakPolarHBondContact O-CB 2.93Å; K145-A149 PolarHBondContact O-N 3.09Å; L146-A149 PolarHBondContact O-N 3.44Å; E147-A149 VanDerWaalsContact C-N 3.27Å; E147-A149 PolarHBondContact O-N 3.35Å; A149-A151 PolarHBondContact O-N 3.33Å; A149-Q154 PolarHBondContact O-NE2 3.25Å; A149-Q154 VanDerWaalsContact O-NE2 3.14Å
150R95.3Very high91.9Very high166 Ų16669.1 Ų69.163%0.62635%0.346SS*.THydrogen-bonded Turntrans52.238.3-172.2-55-174.3-179.4-1750112.9L146 E147 A148 A152 E153 Q154L146-R150 PolarHBondContact O-N 3.42Å; L146-R150 VanDerWaalsContact O-N 3.08Å; E147-R150 PolarHBondContact O-N 2.9Å; A148-R150 VanDerWaalsContact C-N 3.27Å; A148-R150 PolarHBondContact O-N 2.89Å; R150-A152 VanDerWaalsContact C-N 3.29Å; R150-A152 PolarHBondContact O-N 2.68Å; R150-E153 HydrophobicContact CB-CB 4.45Å; R150-E153 HydrophobicContact CB-CG 4.44Å; R150-E153 WeakPolarHBondContact CD-OE2 3.19Å; R150-E153 PolarHBondContact O-N 3.35Å; R150-E153 VanDerWaalsContact O-N 3.09Å; R150-Q154 PolarHBondContact O-N 3.25Å
151A93.6Very high90.8Very high16 Ų1668.8 Ų68.813%0.13236%0.356CS..Hα-helixtrans-59-38.6-173.900000112.7W132 L146 A149 E153 Q154 L155W132-A151 HydrophobicContact CZ2-CB 4.24Å; L146-A151 HydrophobicContact CB-CB 4.08Å; L146-A151 HydrophobicContact CD2-CB 3.75Å; L146-A151 WeakPolarHBondContact O-CB 3.19Å; L146-A151 PolarHBondContact O-N 3.02Å; A149-A151 PolarHBondContact O-N 3.33Å; A151-E153 VanDerWaalsContact C-N 3.3Å; A151-E153 PolarHBondContact O-N 3.49Å; A151-Q154 PolarHBondContact O-N 3.01Å; A151-L155 WeakPolarHBondContact O-CG 3.26Å; A151-L155 PolarHBondContact O-N 3.38Å
152A93.3Very high89.4Confident4 Ų469.7 Ų69.73%0.03336%0.355CS..Hα-helixtrans-59.7-39.7177.500000112.4L125 W132 R150 R156L125-A152 HydrophobicContact CD1-CB 3.66Å; W132-A152 HydrophobicContact CZ2-CB 4.47Å; R150-A152 VanDerWaalsContact C-N 3.29Å; R150-A152 PolarHBondContact O-N 2.68Å; A152-R156 VanDerWaalsContact O-CB 3.23Å; A152-R156 WeakPolarHBondContact O-CB 3.45Å; A152-R156 PolarHBondContact O-N 2.6Å
153E91.5Very high87.8Confident97 Ų9768.6 Ų68.645%0.45335%0.349SS..Hα-helixtrans-67.5-41.2178.5-61.5-175.9168.300111.6R150 A151 R156 A157R150-E153 HydrophobicContact CB-CB 4.45Å; R150-E153 HydrophobicContact CB-CG 4.44Å; R150-E153 WeakPolarHBondContact CD-OE2 3.19Å; R150-E153 PolarHBondContact O-N 3.35Å; R150-E153 VanDerWaalsContact O-N 3.09Å; A151-E153 VanDerWaalsContact C-N 3.3Å; A151-E153 PolarHBondContact O-N 3.49Å; E153-R156 PolarHBondContact O-N 3.17Å; E153-A157 WeakPolarHBondContact O-CB 3.38Å; E153-A157 PolarHBondContact O-N 2.61Å
154Q89.2Confident85.3Confident122 Ų12276.4 Ų76.457%0.5738%0.377SS*.Hα-helixtrans-64.8-44.1177.6-62.8176.911.600111.8A149 R150 A151 A157 T158A149-Q154 PolarHBondContact O-NE2 3.25Å; A149-Q154 VanDerWaalsContact O-NE2 3.14Å; R150-Q154 PolarHBondContact O-N 3.25Å; A151-Q154 PolarHBondContact O-N 3.01Å; Q154-A157 PolarHBondContact O-N 2.83Å; Q154-T158 WeakPolarHBondContact O-CB 3.38Å; Q154-T158 PolarHBondContact O-N 2.81Å; Q154-T158 PolarHBondContact O-OG1 3.24Å
155L87.9Confident82.8Confident22 Ų2271.7 Ų71.712%0.11537%0.367CS..Hα-helixtrans-61-50.1175-72.2173.7000110.9D113 L125 W132 A151 A157 T158 W159 A180D113-L155 HydrophobicContact CB-CD1 4.16Å; L125-L155 HydrophobicContact CD2-CD1 4.36Å; W132-L155 HydrophobicContact CH2-CD1 3.83Å; W132-L155 HydrophobicContact CZ2-CD1 4.03Å; A151-L155 WeakPolarHBondContact O-CG 3.26Å; A151-L155 PolarHBondContact O-N 3.38Å; L155-A157 VanDerWaalsContact C-N 3.34Å; L155-A157 PolarHBondContact O-N 3.04Å; L155-T158 WeakPolarHBondContact O-CB 3.11Å; L155-T158 PolarHBondContact O-N 2.87Å; L155-T158 VanDerWaalsContact O-N 3.16Å; L155-W159 HydrophobicContact CB-CH2 4.28Å; L155-W159 HydrophobicContact CB-CZ2 4.29Å; L155-W159 HydrophobicContact CB-CZ3 4.41Å; L155-W159 HydrophobicContact CD2-CZ2 4.38Å; L155-W159 VanDerWaalsContact O-CG 3.29Å; L155-W159 PolarHBondContact O-N 2.96Å; L155-A180 HydrophobicContact CD2-CB 3.3Å
156R86.3Confident80.4Confident43 Ų4367.4 Ų67.416%0.16236%0.355CS..Hα-helixtrans-58-43.8177.5178.5-177.7176.7147.83.5112.4D128 L129 R130 A152 E153 R160D128-R156 PolarHBondContact O-NH1 3.14Å; L129-R156 HydrophobicContact CB-CB 4.27Å; L129-R156 HydrophobicContact CB-CG 4.28Å; L129-R156 HydrophobicContact CD1-CG 4.36Å; R130-R156 VanDerWaalsContact CZ-NH1 3.3Å; R130-R156 VanDerWaalsContact NE-NH1 3.13Å; A152-R156 VanDerWaalsContact O-CB 3.23Å; A152-R156 WeakPolarHBondContact O-CB 3.45Å; A152-R156 PolarHBondContact O-N 2.6Å; E153-R156 PolarHBondContact O-N 3.17Å; R156-R160 VanDerWaalsContact NE-CZ 3.31Å; R156-R160 WeakPolarHBondContact O-CB 3.48Å; R156-R160 VanDerWaalsContact O-CG 3.29Å; R156-R160 WeakPolarHBondContact O-CG 3.31Å; R156-R160 PolarHBondContact O-N 2.97Å
157A85.2Confident78.1Confident59 Ų5968.6 Ų68.649%0.48837%0.367SS..Hα-helixtrans-62.5-44.417700000111.2E153 Q154 L155 R160 A161E153-A157 WeakPolarHBondContact O-CB 3.38Å; E153-A157 PolarHBondContact O-N 2.61Å; Q154-A157 PolarHBondContact O-N 2.83Å; L155-A157 VanDerWaalsContact C-N 3.34Å; L155-A157 PolarHBondContact O-N 3.04Å; A157-R160 PolarHBondContact O-N 3.15Å; A157-A161 WeakPolarHBondContact O-CB 3.45Å; A157-A161 PolarHBondContact O-N 2.77Å
158T79.3Confident75.8Confident45 Ų4566 Ų6628%0.27636%0.361SS..Hα-helixtrans-59.5-50176.7-59.60000111.4Q154 L155 R160 A161 R162 A180Q154-T158 WeakPolarHBondContact O-CB 3.38Å; Q154-T158 PolarHBondContact O-N 2.81Å; Q154-T158 PolarHBondContact O-OG1 3.24Å; L155-T158 WeakPolarHBondContact O-CB 3.11Å; L155-T158 PolarHBondContact O-N 2.87Å; L155-T158 VanDerWaalsContact O-N 3.16Å; T158-R160 PolarHBondContact O-N 2.76Å; T158-A161 PolarHBondContact O-N 3.09Å; T158-R162 WeakPolarHBondContact O-CB 3.31Å; T158-R162 VanDerWaalsContact O-CG 3.28Å; T158-R162 WeakPolarHBondContact O-CG 3.44Å; T158-R162 PolarHBondContact O-N 3.28Å; T158-A180 HydrophobicContact CG2-CB 4.49Å
159W79.8Confident73.4Confident0 Ų066.7 Ų66.70%035%0.353CS..Hα-helixtrans-64.4-41.3-179.8-62.3-23.7000112.5L108 Y112 D113 L125 L129 L155 R162 A163 C178L108-W159 HydrophobicContact CD1-CB 4.49Å; L108-W159 HydrophobicContact CD2-CB 3.91Å; Y112-W159 WeakPolarHBondContact O-CH2 3.44Å; Y112-W159 WeakPolarHBondContact O-CZ2 3.36Å; D113-W159 HydrophobicContact CB-CH2 4.16Å; D113-W159 HydrophobicContact CB-CZ2 4.43Å; L125-W159 HydrophobicContact CD2-CH2 3.51Å; L125-W159 HydrophobicContact CD2-CZ3 3.52Å; L129-W159 HydrophobicContact CD1-CE3 4.15Å; L129-W159 HydrophobicContact CD1-CZ3 4.33Å; L129-W159 HydrophobicContact CD2-CE3 4.48Å; L129-W159 HydrophobicContact CD2-CZ3 3.84Å; L155-W159 HydrophobicContact CB-CH2 4.28Å; L155-W159 HydrophobicContact CB-CZ2 4.29Å; L155-W159 HydrophobicContact CB-CZ3 4.41Å; L155-W159 HydrophobicContact CD2-CZ2 4.38Å; L155-W159 VanDerWaalsContact O-CG 3.29Å; L155-W159 PolarHBondContact O-N 2.96Å; W159-R162 PolarHBondContact O-N 3.12Å; W159-A163 VanDerWaalsContact O-CB 3.24Å; W159-A163 WeakPolarHBondContact O-CB 3.41Å; W159-A163 PolarHBondContact O-N 3.49Å; W159-C178 PolarHBondContact NE1-O 2.84Å
160R76.8Confident71.5Confident136 Ų13666 Ų6651%0.51334%0.343SS..Hα-helixtrans-63.4-46176.1-76.9176.2165.5-162.5-17.2112.6L108 R156 A157 T158 R162 A163 W164L108-R160 HydrophobicContact CD2-CG 4.24Å; R156-R160 VanDerWaalsContact NE-CZ 3.31Å; R156-R160 WeakPolarHBondContact O-CB 3.48Å; R156-R160 VanDerWaalsContact O-CG 3.29Å; R156-R160 WeakPolarHBondContact O-CG 3.31Å; R156-R160 PolarHBondContact O-N 2.97Å; A157-R160 PolarHBondContact O-N 3.15Å; T158-R160 PolarHBondContact O-N 2.76Å; R160-R162 VanDerWaalsContact C-N 3.28Å; R160-R162 PolarHBondContact O-N 3.24Å; R160-A163 PolarHBondContact O-N 2.97Å; R160-W164 WeakPolarHBondContact O-CB 3.49Å; R160-W164 PolarHBondContact O-N 3.28Å
161A73.6Confident69.6Low64 Ų6458.5 Ų58.553%0.52932%0.315SS..Hα-helixtrans-61.8-38.9178.400000111.8A157 T158 S165A157-A161 WeakPolarHBondContact O-CB 3.45Å; A157-A161 PolarHBondContact O-N 2.77Å; T158-A161 PolarHBondContact O-N 3.09Å; A161-S165 PolarHBondContact O-OG 3.14Å
162R68.7Low67.6Low79 Ų7964.1 Ų64.130%0.29833%0.333SS..Hα-helixtrans-76.6-34179.1-64.2-176.1-168.6-166.92.3112.9T158 W159 R160 S165 R177 S179T158-R162 WeakPolarHBondContact O-CB 3.31Å; T158-R162 VanDerWaalsContact O-CG 3.28Å; T158-R162 WeakPolarHBondContact O-CG 3.44Å; T158-R162 PolarHBondContact O-N 3.28Å; W159-R162 PolarHBondContact O-N 3.12Å; R160-R162 VanDerWaalsContact C-N 3.28Å; R160-R162 PolarHBondContact O-N 3.24Å; R162-S165 PolarHBondContact O-OG 3.48Å; R162-R177 WeakPolarHBondContact CB-O 3.13Å; R162-R177 WeakPolarHBondContact CD-O 3.4Å; R162-S179 PolarHBondContact NH1-O 3.37Å
163A62.8Low65.7Low7 Ų765.7 Ų65.76%0.05834%0.342CS..Hα-helixtrans-69-41.6173.900000113L102 L108 W159 R160 S165L102-A163 HydrophobicContact CD2-CB 4.05Å; L108-A163 HydrophobicContact CB-CB 4.06Å; W159-A163 VanDerWaalsContact O-CB 3.24Å; W159-A163 WeakPolarHBondContact O-CB 3.41Å; W159-A163 PolarHBondContact O-N 3.49Å; R160-A163 PolarHBondContact O-N 2.97Å; A163-S165 PolarHBondContact O-N 3.41Å
164W45.4Very low63.9Low205 Ų20561 Ų6178%0.77732%0.32SS*.Hα-helixtrans-68.4-19.4-176-176.1-99.1000114.5R160R160-W164 WeakPolarHBondContact O-CB 3.49Å; R160-W164 PolarHBondContact O-N 3.28Å
165S46.6Very low62.1Low49 Ų4962.2 Ų62.234%0.34332%0.319SS..THydrogen-bonded Turntrans-101.313.5-164.560.60000115.6A161 R162 A163 R176A161-S165 PolarHBondContact O-OG 3.14Å; R162-S165 PolarHBondContact O-OG 3.48Å; A163-S165 PolarHBondContact O-N 3.41Å; S165-R176 PolarHBondContact O-NE 3.14Å; S165-R176 VanDerWaalsContact O-NE 3.12Å; S165-R176 PolarHBondContact O-NH1 3.06Å; S165-R176 PolarHBondContact OG-NH1 3.3Å
166G45Very low60.6Low24 Ų2466.5 Ų66.525%0.24733%0.334CS..  trans-150.9150.9-176.500000115.9
167S48.5Very low59.6Low69 Ų6965.2 Ų65.248%0.48333%0.329SS..  trans-81.1160168.463.70000111.2D169 T170S167-D169 PolarHBondContact O-N 3.35Å; S167-T170 PolarHBondContact N-OG1 3.37Å; S167-T170 PolarHBondContact O-N 2.87Å; S167-T170 PolarHBondContact O-OG1 2.97Å
168A50.2Low58.4Low38 Ų3862.4 Ų62.431%0.31431%0.306SS..Hα-helixtrans-52-30.2178.800000114.1T170 W171A168-T170 PolarHBondContact O-N 3.02Å; A168-W171 PolarHBondContact O-N 3.12Å
169D46.7Very low57.2Low100 Ų10060.4 Ų60.454%0.53529%0.294SS..Hα-helixtrans-72.5-26.1178.7-64.5-33.7000113.7S167 W171 R172S167-D169 PolarHBondContact O-N 3.35Å; D169-W171 VanDerWaalsContact C-N 3.3Å; D169-W171 PolarHBondContact O-N 3.28Å; D169-R172 IonicContact OD1-CZ 3.3Å; D169-R172 IonicContact OD1-NE 3.77Å; D169-R172 IonicContact OD1-NH2 2.73Å; D169-R172 PolarHBondContact OD1-NH2 2.97Å
170T55.1Low55.7Low41 Ų4161.6 Ų61.625%0.25230%0.303SS..Hα-helixtrans-76.3-18.4175.759.30000113.6S167 A168 T173S167-T170 PolarHBondContact N-OG1 3.37Å; S167-T170 PolarHBondContact O-N 2.87Å; S167-T170 PolarHBondContact O-OG1 2.97Å; A168-T170 PolarHBondContact O-N 3.02Å; T170-T173 PolarHBondContact O-OG1 3.31Å; T170-T173 VanDerWaalsContact O-OG1 3.12Å
171W56.6Low54.3Low8 Ų856.8 Ų56.83%0.0329%0.287CS..Hα-helixtrans-76.3-41.2175.4-73.899000111.9M4 L102 A168 D169 T173 G174 R176 R177 C178M4-W171 HydrophobicContact CE-CE3 3.87Å; M4-W171 HydrophobicContact CE-CZ3 3.92Å; M4-W171 HydrophobicContact SD-CZ3 4.1Å; L102-W171 HydrophobicContact CD1-CD2 3.69Å; L102-W171 HydrophobicContact CD1-CE3 4.12Å; L102-W171 HydrophobicContact CD1-CG 4.25Å; L102-W171 HydrophobicContact CD1-CH2 3.98Å; L102-W171 HydrophobicContact CD1-CZ2 3.54Å; L102-W171 HydrophobicContact CD1-CZ3 4.23Å; A168-W171 PolarHBondContact O-N 3.12Å; D169-W171 VanDerWaalsContact C-N 3.3Å; D169-W171 PolarHBondContact O-N 3.28Å; W171-T173 PolarHBondContact O-N 3.22Å; W171-G174 PolarHBondContact O-N 3.23Å; W171-G174 VanDerWaalsContact O-N 3.09Å; W171-R176 VanDerWaalsContact CE3-O 3.28Å; W171-R176 WeakPolarHBondContact CZ3-O 3.23Å; W171-R177 VanDerWaalsContact CH2-C 3.45Å; W171-R177 VanDerWaalsContact CZ3-C 3.49Å; W171-C178 HydrophobicContact CH2-CB 3.58Å; W171-C178 VanDerWaalsContact CH2-N 3.35Å; W171-C178 HydrophobicContact CZ3-CB 3.74Å
172R51.8Low53.3Low135 Ų13556.5 Ų56.551%0.50928%0.275SS..Hα-helixtrans-64.2-26.7177.9-80.7-174.3-80.6-164.3-1.8113.7W50 D169 G174W50-R172 VanDerWaalsContact CG-O 3.29Å; W50-R172 PolarHBondContact NE1-O 3.28Å; D169-R172 IonicContact OD1-CZ 3.3Å; D169-R172 IonicContact OD1-NE 3.77Å; D169-R172 IonicContact OD1-NH2 2.73Å; D169-R172 PolarHBondContact OD1-NH2 2.97Å; R172-G174 VanDerWaalsContact C-N 3.31Å
173T53.7Low52.5Low36 Ų3655.3 Ų55.322%0.22127%0.274CS..THydrogen-bonded Turntrans-83.7-3.3176.652.40000113.5T170 W171 R175T170-T173 PolarHBondContact O-OG1 3.31Å; T170-T173 VanDerWaalsContact O-OG1 3.12Å; W171-T173 PolarHBondContact O-N 3.22Å; T173-R175 PolarHBondContact O-N 3.15Å; T173-R175 VanDerWaalsContact O-N 3.15Å
174G52.1Low51.9Low0 Ų057.9 Ų57.90%029%0.285CS..THydrogen-bonded Turntrans70.52.3-178.500000115W171 R172W171-G174 PolarHBondContact O-N 3.23Å; W171-G174 VanDerWaalsContact O-N 3.09Å; R172-G174 VanDerWaalsContact C-N 3.31Å
175R52.2Low52.3Low147 Ų14749.3 Ų49.356%0.55526%0.257SS*.SBendtrans-70.5-31-177.4-73.1-174.9-173.7-178.97.6113.5E54 T173E54-R175 WeakPolarHBondContact OE1-CG 3.36Å; E54-R175 IonicContact OE1-CZ 3.48Å; E54-R175 IonicContact OE1-NE 3.06Å; E54-R175 PolarHBondContact OE1-NE 3.32Å; E54-R175 IonicContact OE1-NH2 2.71Å; T173-R175 PolarHBondContact O-N 3.15Å; T173-R175 VanDerWaalsContact O-N 3.15Å
176R57.3Low52.7Low112 Ų11249.3 Ų49.342%0.42325%0.251SS..SBendtrans-119.5138.7172.6-67-167.3-171.4-110.90.5110.1S165 W171S165-R176 PolarHBondContact O-NE 3.14Å; S165-R176 VanDerWaalsContact O-NE 3.12Å; S165-R176 PolarHBondContact O-NH1 3.06Å; S165-R176 PolarHBondContact OG-NH1 3.3Å; W171-R176 VanDerWaalsContact CE3-O 3.28Å; W171-R176 WeakPolarHBondContact CZ3-O 3.23Å
177R63.5Low53.2Low16 Ų1651 Ų516%0.0625%0.251CS..  trans-130.7143.5-168.4-62.4175.8-160.9-151.514.9110.9M4 Y6 Y58 E62 R162 W171M4-R177 HydrophobicContact CE-CB 4.42Å; M4-R177 HydrophobicContact CE-CG 4.2Å; M4-R177 VanDerWaalsContact SD-CA 3.58Å; M4-R177 HydrophobicContact SD-CB 3.75Å; M4-R177 HydrophobicContact SD-CG 4.02Å; Y6-R177 WeakPolarHBondContact OH-CD 3.36Å; Y6-R177 PolarHBondContact OH-NH1 2.73Å; Y58-R177 PolarHBondContact OH-NH2 3.28Å; E62-R177 VanDerWaalsContact CD-NH1 3.25Å; E62-R177 IonicContact OE1-CZ 3.78Å; E62-R177 IonicContact OE1-NH1 3.27Å; E62-R177 IonicContact OE1-NH2 3.63Å; E62-R177 PolarHBondContact OE1-NH2 3.12Å; E62-R177 IonicContact OE2-CZ 4Å; E62-R177 IonicContact OE2-NH1 2.64Å; E62-R177 PolarHBondContact OE2-NH1 2.79Å; E62-R177 IonicContact OE2-NH2 3.69Å; E62-R177 PolarHBondContact OE2-NH2 3.44Å; R162-R177 WeakPolarHBondContact CB-O 3.13Å; R162-R177 WeakPolarHBondContact CD-O 3.4Å; W171-R177 VanDerWaalsContact CH2-C 3.45Å; W171-R177 VanDerWaalsContact CZ3-C 3.49Å
178C61.1Low53.5Low0 Ų049.7 Ų49.70%024%0.235CC..  trans-982.3175.8-151.30000112M4 C100 W159 W171M4-C178 PolarHBondContact SD-N 3.41Å; M4-C178 VanDerWaalsContact SD-N 3.44Å; C100-C178 HydrophobicContact CB-CB 3.71Å; C100-C178 WeakPolarHBondContact CB-SG 3.29Å; C100-C178 WeakPolarHBondContact SG-CB 3.33Å; C100-C178 CovalentContact SG-SG 2.01Å; C100-C178 PolarHBondContact SG-SG 3.07Å; W159-C178 PolarHBondContact NE1-O 2.84Å; W171-C178 HydrophobicContact CH2-CB 3.58Å; W171-C178 VanDerWaalsContact CH2-N 3.35Å; W171-C178 HydrophobicContact CZ3-CB 3.74Å
179S54Low53.8Low3 Ų350.6 Ų50.62%0.02123%0.229CC..  trans-83.4147.9178.4169.70000111.3Y6 R162 Q181Y6-S179 VanDerWaalsContact CE2-CB 3.45Å; R162-S179 PolarHBondContact NH1-O 3.37Å; S179-Q181 PolarHBondContact OG-N 3.27Å
180A48.4Very low54.4Low25 Ų2546.5 Ų46.521%0.20720%0.203CC..  trans-92.710.4178.100000114.2L155 T158L155-A180 HydrophobicContact CD2-CB 3.3Å; T158-A180 HydrophobicContact CG2-CB 4.49Å
181Q46.7Very low54.3Low35 Ų3547 Ų4716%0.16420%0.199CC..  trans-59.70170.6-72.5176.6-5.200113.1Y6 D8 S179Y6-Q181 VanDerWaalsContact CB-NE2 3.35Å; D8-Q181 PolarHBondContact OD1-NE2 3.13Å; D8-Q181 PolarHBondContact OD2-NE2 3.27Å; S179-Q181 PolarHBondContact OG-N 3.27Å

Retrieved 181 of 181 residues in 57.6 ms (Link to these results)

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