A0A060VCV6_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VCV6, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 341 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1S93.6Very high98.1Very high93 Ų9338.5 Ų38.565%0.6521%0.21SC*.  0165.6032.80000108L102S1-L102 WeakPolarHBondContact CB-O 3.23Å
2H97.5Very high98.1Very high52 Ų5236.8 Ų36.824%0.24120%0.203CC..EExtended strand (participates in β ladder)trans-135.7155.1-170.3-63.6-68000113D28 D101 L102 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.28Å; H2-D28 IonicContact CE1-OD2 3.46Å; H2-D28 IonicContact CG-OD2 3.49Å; H2-D28 IonicContact ND1-OD2 2.68Å; H2-D28 PolarHBondContact ND1-OD2 2.84Å; H2-D101 CarbonylContact O-C 3.59Å; H2-D101 WeakPolarHBondContact O-CA 3.39Å; H2-L102 PolarHBondContact N-O 3.49Å; H2-L102 PolarHBondContact O-N 2.67Å; H2-L167 HydrophobicContact CB-CD1 4.45Å; H2-L171 HydrophobicContact CB-CD1 3.62Å; H2-L171 HydrophobicContact CB-CD2 3.9Å; H2-L171 HydrophobicContact CB-CG 4.35Å; H2-L171 VanDerWaalsContact CG-CD2 3.45Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.4Å
3S98.2Very high97.9Very high23 Ų2339.6 Ų39.616%0.16121%0.208CC..EExtended strand (participates in β ladder)trans-139.6150.1-174.863.70000111.4V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.56Å; S3-V27 VanDerWaalsContact O-CA 3.3Å; S3-V27 WeakPolarHBondContact O-CA 3.4Å; S3-D28 PolarHBondContact N-OD1 2.88Å; S3-D28 PolarHBondContact O-N 3.19Å; S3-D28 PolarHBondContact OG-OD1 2.62Å; S3-C100 CarbonylContact C-O 3.38Å; S3-C100 WeakPolarHBondContact CA-O 3.13Å; S3-D101 WeakPolarHBondContact CB-OD1 3.28Å
4M98.7Very high97.6Very high1 Ų140.4 Ų40.41%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-129.2118.7168.9-179.2173.562.300108.4Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.25Å; M4-Y6 HydrophobicContact CG-CE2 4.08Å; M4-Y6 HydrophobicContact SD-CE2 4Å; M4-Y26 WeakPolarHBondContact CA-O 3.35Å; M4-V27 HydrophobicContact CB-CG2 4.45Å; M4-V27 HydrophobicContact CG-CG2 4.28Å; M4-F32 HydrophobicContact CG-CE1 4.36Å; M4-F32 HydrophobicContact CG-CZ 4.48Å; M4-F32 HydrophobicContact SD-CZ 4.21Å; M4-G99 CarbonylContact O-C 3.47Å; M4-G99 WeakPolarHBondContact O-CA 3.35Å; M4-C100 PolarHBondContact N-O 3.27Å; M4-C100 PolarHBondContact O-N 3.49Å; M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 VanDerWaalsContact CE-O 3.22Å; M4-C163 WeakPolarHBondContact CE-O 3.02Å; M4-C163 WeakPolarHBondContact CE-SG 3.39Å; M4-W166 HydrophobicContact CE-CB 4.2Å; M4-L167 HydrophobicContact CB-CB 3.97Å; M4-L167 HydrophobicContact CB-CD1 4.02Å; M4-L167 HydrophobicContact CB-CD2 3.91Å; M4-L167 HydrophobicContact CB-CG 4.18Å; M4-L167 HydrophobicContact CE-CB 4.26Å; M4-L167 HydrophobicContact SD-CB 4.41Å; M4-Y170 HydrophobicContact SD-CD2 3.73Å; M4-Y170 HydrophobicContact SD-CE2 3.5Å; M4-Y170 WeakPolarHBondContact SD-CE2 3.23Å
5R98.6Very high97.2Very high49 Ų4943.9 Ų43.919%0.18527%0.266CS..EExtended strand (participates in β ladder)trans-128.1131.9-174.4-52.5-61-17276.33.1110.3F7 Y26 M97 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.46Å; R5-F7 HydrophobicContact CB-CE2 3.67Å; R5-F7 HydrophobicContact CB-CZ 3.95Å; R5-Y26 PolarHBondContact N-O 2.8Å; R5-Y26 PolarHBondContact O-N 3.17Å; R5-M97 HydrophobicContact CB-SD 4.47Å; R5-D101 IonicContact CZ-OD1 3.9Å; R5-D101 VanDerWaalsContact CZ-OD1 3.23Å; R5-D101 IonicContact CZ-OD2 2.76Å; R5-D101 IonicContact NE-OD1 3.71Å; R5-D101 PolarHBondContact NE-OD1 2.73Å; R5-D101 IonicContact NH2-OD1 2.73Å; R5-D101 PolarHBondContact NH2-OD1 2.86Å; R5-D101 IonicContact NH2-OD2 2.78Å; R5-D101 PolarHBondContact NH2-OD2 3.34Å; R5-Y112 VanDerWaalsContact NH2-CE2 3.3Å; R5-Y112 PolarHBondContact NH2-OH 2.81Å
6Y98.7Very high96.9Very high19 Ų1954.2 Ų54.28%0.07530%0.299CS..EExtended strand (participates in β ladder)trans-108.3132.3169.7-70.2-92.9000109.1M4 V24 F32 V33 M97 S98M4-Y6 HydrophobicContact CE-CE2 4.25Å; M4-Y6 HydrophobicContact CG-CE2 4.08Å; M4-Y6 HydrophobicContact SD-CE2 4Å; Y6-V24 WeakPolarHBondContact CA-O 3.38Å; Y6-F32 HydrophobicContact CE1-CZ 4.25Å; Y6-F32 AromaticContact CZ-CZ 3.88Å; Y6-V33 HydrophobicContact CE1-CG2 4.02Å; Y6-M97 WeakPolarHBondContact O-CA 3.22Å; Y6-S98 PolarHBondContact N-O 2.88Å; Y6-S98 PolarHBondContact O-N 3.03Å
7F98.8Very high96.7Very high84 Ų8454.5 Ų54.537%0.36832%0.317SS..EExtended strand (participates in β ladder)trans-117.2106.2176.8-56.4-95.3000108.9R5 S23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CD2 4.46Å; R5-F7 HydrophobicContact CB-CE2 3.67Å; R5-F7 HydrophobicContact CB-CZ 3.95Å; F7-S23 WeakPolarHBondContact O-CA 3.33Å; F7-V24 HydrophobicContact CB-CG2 3.91Å; F7-V24 HydrophobicContact CD2-CG2 4.36Å; F7-V24 PolarHBondContact N-O 2.96Å; F7-V24 PolarHBondContact O-N 2.89Å; F7-Y26 HydrophobicContact CD2-CD2 4.14Å; F7-Y26 HydrophobicContact CE2-CD2 4.16Å; F7-R96 WeakPolarHBondContact CA-O 3.19Å; F7-M97 HydrophobicContact CD1-CB 4.1Å; F7-M97 HydrophobicContact CD1-CG 3.63Å; F7-M97 HydrophobicContact CE1-CB 4.26Å; F7-M97 HydrophobicContact CE1-CG 3.4Å; F7-M97 VanDerWaalsContact CE1-CG 3.4Å; F7-M97 HydrophobicContact CG-CG 4.46Å; F7-M97 HydrophobicContact CZ-CG 4.07Å
8D98.8Very high96.6Very high8 Ų857 Ų574%0.04333%0.325CS..EExtended strand (participates in β ladder)trans-88.8143.2172-60.7-49.5000109.5F21 I22 S23 Q95 R96D8-F21 HydrophobicContact CB-CE2 3.91Å; D8-F21 HydrophobicContact CB-CZ 4.25Å; D8-F21 WeakPolarHBondContact OD1-CZ 3.44Å; D8-I22 CarbonylContact C-O 3.55Å; D8-S23 WeakPolarHBondContact OD1-CB 3.14Å; D8-Q95 WeakPolarHBondContact O-CA 3.3Å; D8-R96 HydrophobicContact CB-CB 4.2Å; D8-R96 PolarHBondContact N-O 3.39Å; D8-R96 PolarHBondContact O-N 2.97Å; D8-R96 IonicContact OD2-CZ 3.14Å; D8-R96 IonicContact OD2-NH1 2.68Å; D8-R96 PolarHBondContact OD2-NH1 3.42Å
9T98.9Very high96.6Very high40 Ų4055.5 Ų55.525%0.24532%0.318CS..EExtended strand (participates in β ladder)trans-147.1119.8172.9-67.20000110.7V11 F21 I22 T93 L94 Q95T9-V11 HydrophobicContact CG2-CG2 4.12Å; T9-F21 WeakPolarHBondContact O-CA 3.38Å; T9-I22 PolarHBondContact N-O 3.46Å; T9-I22 PolarHBondContact O-N 3.11Å; T9-T93 HydrophobicContact CG2-CG2 4.2Å; T9-L94 WeakPolarHBondContact CA-O 3.38Å; T9-Q95 HydrophobicContact CG2-CG 4.16Å
10A98.7Very high96.7Very high2 Ų257.1 Ų57.12%0.01732%0.318CS..EExtended strand (participates in β ladder)trans-116.4120.7178.300000110.9R20 F21 D73 L77 T93 L94A10-R20 CarbonylContact C-O 3.58Å; A10-R20 VanDerWaalsContact CA-O 3.3Å; A10-R20 WeakPolarHBondContact CA-O 3.37Å; A10-F21 HydrophobicContact CB-CD2 4.31Å; A10-D73 HydrophobicContact CB-CB 3.64Å; A10-L77 HydrophobicContact CB-CD1 3.91Å; A10-T93 WeakPolarHBondContact O-CA 3.44Å; A10-L94 PolarHBondContact N-O 2.82Å; A10-L94 PolarHBondContact O-N 3.24Å
11V98.6Very high96.8Very high52 Ų5254.5 Ų54.532%0.31530%0.304SS..EExtended strand (participates in β ladder)trans-115.4116.8-178.4-174.40000109.8T9 P19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 4.12Å; V11-P19 CarbonylContact O-C 3.6Å; V11-P19 WeakPolarHBondContact O-CA 3.49Å; V11-P19 WeakPolarHBondContact O-CB 3.16Å; V11-R20 PolarHBondContact N-O 3.12Å; V11-R20 PolarHBondContact O-N 2.9Å; V11-H92 CarbonylContact C-O 3.59Å; V11-H92 WeakPolarHBondContact CA-O 3.38Å; V11-T93 HydrophobicContact CG2-CG2 4.13Å
12S97.9Very high97Very high18 Ų1852.4 Ų52.413%0.12629%0.285CS..  trans-69.4146.9172.875.80000110.9G90 S91 H92S12-G90 PolarHBondContact OG-O 3.01Å; S12-S91 PolarHBondContact O-OG 3.36Å; S12-S91 VanDerWaalsContact O-OG 3.06Å; S12-H92 PolarHBondContact N-O 3.23Å; S12-H92 PolarHBondContact OG-N 3.4Å; S12-H92 PolarHBondContact OG-O 3.09Å
13R96.1Very high97.1Very high74 Ų7450 Ų5028%0.27927%0.273SS..  trans-140.476.4-179.452.2173.4170.9-155.3-16.5111.5G15 R16 E18 D38R13-G15 PolarHBondContact O-N 2.99Å; R13-R16 HydrophobicContact CB-CB 4.1Å; R13-R16 WeakPolarHBondContact CD-O 3.16Å; R13-R16 HydrophobicContact CG-CB 4.17Å; R13-R16 PolarHBondContact NE-O 3.42Å; R13-R16 WeakPolarHBondContact O-CA 3.47Å; R13-R16 PolarHBondContact O-N 3.31Å; R13-E18 VanDerWaalsContact CZ-O 3.27Å; R13-E18 PolarHBondContact NE-O 2.82Å; R13-E18 PolarHBondContact NH2-O 2.98Å; R13-D38 IonicContact CZ-OD1 3.61Å; R13-D38 IonicContact CZ-OD2 3.3Å; R13-D38 IonicContact NH1-OD1 3.84Å; R13-D38 IonicContact NH1-OD2 3.02Å; R13-D38 PolarHBondContact NH1-OD2 2.81Å; R13-D38 IonicContact NH2-OD1 2.77Å; R13-D38 PolarHBondContact NH2-OD1 2.86Å; R13-D38 IonicContact NH2-OD2 3.52Å; R13-D38 PolarHBondContact NH2-OD2 3.43Å
14P92.8Very high97.1Very high51 Ų5150.4 Ų50.433%0.33128%0.275SS..THydrogen-bonded Turntrans-48.7137-179.2-29.537.8000112.8R16 E88 G90P14-R16 PolarHBondContact O-N 2.9Å; P14-R16 VanDerWaalsContact O-N 3.11Å; P14-E88 WeakPolarHBondContact CB-O 3.43Å; P14-E88 WeakPolarHBondContact CG-O 3.5Å; P14-G90 VanDerWaalsContact CG-O 3.23Å; P14-G90 WeakPolarHBondContact CG-O 3.38Å
15G91.6Very high97.1Very high92 Ų9250.3 Ų50.395%0.94828%0.275SS*.THydrogen-bonded Turntrans68-0.9-175.100000116.2R13R13-G15 PolarHBondContact O-N 2.99Å
16R93.5Very high97.1Very high209 Ų20951.5 Ų51.579%0.78928%0.28SS*.SBendtrans-123.524.7-176.2-57-175.8-177.2-171.11.1113.8R13 P14R13-R16 HydrophobicContact CB-CB 4.1Å; R13-R16 WeakPolarHBondContact CD-O 3.16Å; R13-R16 HydrophobicContact CG-CB 4.17Å; R13-R16 PolarHBondContact NE-O 3.42Å; R13-R16 WeakPolarHBondContact O-CA 3.47Å; R13-R16 PolarHBondContact O-N 3.31Å; P14-R16 PolarHBondContact O-N 2.9Å; P14-R16 VanDerWaalsContact O-N 3.11Å
17G92.2Very high97.1Very high59 Ų5950.6 Ų50.661%0.60828%0.276SS*.SBendtrans90.6-161.9178.400000113.9
18E94.9Very high97.1Very high100 Ų10048.1 Ų48.147%0.46727%0.267SS..SBendtrans-69.4153.5-175.5-59.3-59172.600112.7R13 R20 R74R13-E18 VanDerWaalsContact CZ-O 3.27Å; R13-E18 PolarHBondContact NE-O 2.82Å; R13-E18 PolarHBondContact NH2-O 2.98Å; E18-R20 PolarHBondContact O-N 3.27Å; E18-R74 VanDerWaalsContact CD-CZ 3.42Å; E18-R74 VanDerWaalsContact CD-NE 3.34Å; E18-R74 IonicContact OE1-CZ 2.74Å; E18-R74 IonicContact OE1-NE 2.69Å; E18-R74 IonicContact OE1-NH2 3.8Å; E18-R74 PolarHBondContact OE1-NH2 2.99Å; E18-R74 IonicContact OE2-CZ 3.36Å; E18-R74 IonicContact OE2-NE 3.07Å; E18-R74 PolarHBondContact OE2-NE 2.96Å; E18-R74 IonicContact OE2-NH2 3.45Å; E18-R74 PolarHBondContact OE2-NH2 2.88Å
19P97.4Very high97Very high28 Ų2850.7 Ų50.718%0.18228%0.281CS..PPolyproline II helixtrans-50.4133.7173.8-26.134.7000112V11 R74 L77V11-P19 CarbonylContact O-C 3.6Å; V11-P19 WeakPolarHBondContact O-CA 3.49Å; V11-P19 WeakPolarHBondContact O-CB 3.16Å; P19-R74 HydrophobicContact CG-CB 4.49Å; P19-R74 HydrophobicContact CG-CG 4.21Å; P19-L77 HydrophobicContact CB-CD1 3.69Å; P19-L77 HydrophobicContact CG-CD1 3.86Å
20R98.4Very high96.9Very high88 Ų8850.2 Ų50.233%0.33228%0.278SS..EExtended strand (participates in β ladder)trans-76.4128.3173.4-178180-173.7179.3-0.6108.4A10 V11 E18 I22 D36 S37 D38A10-R20 CarbonylContact C-O 3.58Å; A10-R20 VanDerWaalsContact CA-O 3.3Å; A10-R20 WeakPolarHBondContact CA-O 3.37Å; V11-R20 PolarHBondContact N-O 3.12Å; V11-R20 PolarHBondContact O-N 2.9Å; E18-R20 PolarHBondContact O-N 3.27Å; R20-I22 HydrophobicContact CG-CG1 4.33Å; R20-D36 IonicContact CZ-OD1 3.69Å; R20-D36 IonicContact CZ-OD2 2.83Å; R20-D36 IonicContact NE-OD1 2.67Å; R20-D36 PolarHBondContact NE-OD1 2.85Å; R20-D36 IonicContact NE-OD2 3.32Å; R20-D36 VanDerWaalsContact NH2-CG 3.28Å; R20-D36 IonicContact NH2-OD1 3.78Å; R20-D36 PolarHBondContact NH2-OD1 3.12Å; R20-D36 IonicContact NH2-OD2 3.14Å; R20-D36 PolarHBondContact NH2-OD2 2.78Å; R20-S37 WeakPolarHBondContact CA-OG 3.45Å; R20-S37 WeakPolarHBondContact CG-OG 3.29Å; R20-D38 VanDerWaalsContact CD-OD2 3.28Å; R20-D38 WeakPolarHBondContact CD-OD2 3.43Å; R20-D38 HydrophobicContact CG-CB 4.45Å; R20-D38 IonicContact NE-OD2 2.72Å
21F98.8Very high96.9Very high2 Ų252.7 Ų52.71%0.00929%0.289CS..EExtended strand (participates in β ladder)trans-111.4126.8174.8173.7-89000109.9D8 T9 A10 F35 S37 Q69 A70 D73D8-F21 HydrophobicContact CB-CE2 3.91Å; D8-F21 HydrophobicContact CB-CZ 4.25Å; D8-F21 WeakPolarHBondContact OD1-CZ 3.44Å; T9-F21 WeakPolarHBondContact O-CA 3.38Å; A10-F21 HydrophobicContact CB-CD2 4.31Å; F21-F35 AromaticContact CD1-CD1 3.66Å; F21-F35 HydrophobicContact CD1-CD1 3.66Å; F21-F35 AromaticContact CD1-CE1 3.82Å; F21-F35 HydrophobicContact CD1-CE1 3.82Å; F21-F35 AromaticContact CE1-CD1 3.82Å; F21-F35 HydrophobicContact CE1-CD1 3.82Å; F21-F35 HydrophobicContact CE1-CE1 4.27Å; F21-S37 PolarHBondContact N-OG 2.94Å; F21-S37 PolarHBondContact O-N 3.13Å; F21-S37 PolarHBondContact O-OG 3.04Å; F21-Q69 HydrophobicContact CE2-CB 4.07Å; F21-Q69 HydrophobicContact CE2-CG 3.67Å; F21-Q69 HydrophobicContact CZ-CB 3.88Å; F21-Q69 HydrophobicContact CZ-CG 3.82Å; F21-A70 HydrophobicContact CB-CB 3.65Å; F21-A70 HydrophobicContact CD1-CB 3.81Å; F21-A70 HydrophobicContact CD2-CB 4.1Å; F21-A70 HydrophobicContact CE1-CB 4.5Å; F21-A70 HydrophobicContact CG-CB 3.58Å; F21-D73 WeakPolarHBondContact CD2-OD2 3.35Å; F21-D73 VanDerWaalsContact CE2-OD2 3.24Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.41Å
22I98.8Very high96.8Very high50 Ų5050.2 Ų50.226%0.25627%0.274SS..EExtended strand (participates in β ladder)trans-121137.4172-58.2176.8000107.2D8 T9 R20 V24 F35D8-I22 CarbonylContact C-O 3.55Å; T9-I22 PolarHBondContact N-O 3.46Å; T9-I22 PolarHBondContact O-N 3.11Å; R20-I22 HydrophobicContact CG-CG1 4.33Å; I22-V24 HydrophobicContact CG2-CG1 4.38Å; I22-F35 WeakPolarHBondContact CA-O 3Å
23S98.8Very high96.9Very high0 Ų049.3 Ų49.30%027%0.268CS..EExtended strand (participates in β ladder)trans-128.1137.9168.4158.50000109.4F7 D8 R34 F35 Y66F7-S23 WeakPolarHBondContact O-CA 3.33Å; D8-S23 WeakPolarHBondContact OD1-CB 3.14Å; S23-R34 CarbonylContact O-C 3.55Å; S23-R34 WeakPolarHBondContact O-CA 3.48Å; S23-F35 PolarHBondContact N-O 3.13Å; S23-F35 PolarHBondContact O-N 3.11Å; S23-Y66 WeakPolarHBondContact OG-CD1 3.31Å; S23-Y66 WeakPolarHBondContact OG-CE1 3.49Å
24V98.8Very high97Very high32 Ų3249.8 Ų49.819%0.19427%0.27CS..EExtended strand (participates in β ladder)trans-129.8136.8172.3-63.50000110.3Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 WeakPolarHBondContact CA-O 3.38Å; F7-V24 HydrophobicContact CB-CG2 3.91Å; F7-V24 HydrophobicContact CD2-CG2 4.36Å; F7-V24 PolarHBondContact N-O 2.96Å; F7-V24 PolarHBondContact O-N 2.89Å; I22-V24 HydrophobicContact CG2-CG1 4.38Å; V24-Y26 HydrophobicContact CB-CE2 4.1Å; V24-Y26 HydrophobicContact CG2-CD2 4.33Å; V24-Y26 HydrophobicContact CG2-CE2 3.84Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.28Å; V24-V33 WeakPolarHBondContact CA-O 2.96Å; V24-R34 HydrophobicContact CG1-CG 4.32Å
25G98.6Very high97.3Very high0 Ų047.6 Ų47.60%026%0.255CS..EExtended strand (participates in β ladder)trans-114.8135.4177.900000110.9Q31 F32 V33G25-Q31 WeakPolarHBondContact O-CG 3.46Å; G25-F32 WeakPolarHBondContact O-CD1 3.4Å; G25-F32 PolarHBondContact O-N 2.84Å; G25-V33 PolarHBondContact N-O 3.18Å; G25-V33 PolarHBondContact O-N 3.44Å
26Y98.7Very high97.6Very high73 Ų7343.8 Ų43.829%0.28621%0.212SC..EExtended strand (participates in β ladder)trans-123.7142.4-179.1-79.1-104.7000110.7M4 R5 F7 V24 T30 Q31M4-Y26 WeakPolarHBondContact CA-O 3.35Å; R5-Y26 PolarHBondContact N-O 2.8Å; R5-Y26 PolarHBondContact O-N 3.17Å; F7-Y26 HydrophobicContact CD2-CD2 4.14Å; F7-Y26 HydrophobicContact CE2-CD2 4.16Å; V24-Y26 HydrophobicContact CB-CE2 4.1Å; V24-Y26 HydrophobicContact CG2-CD2 4.33Å; V24-Y26 HydrophobicContact CG2-CE2 3.84Å; Y26-T30 WeakPolarHBondContact CA-O 3.32Å; Y26-Q31 HydrophobicContact CD1-CB 4.14Å; Y26-Q31 HydrophobicContact CD2-CB 4.41Å; Y26-Q31 HydrophobicContact CD2-CG 4.26Å; Y26-Q31 HydrophobicContact CE1-CB 3.7Å; Y26-Q31 HydrophobicContact CE1-CG 4.45Å; Y26-Q31 HydrophobicContact CE2-CB 4Å; Y26-Q31 HydrophobicContact CE2-CG 3.83Å; Y26-Q31 HydrophobicContact CG-CB 4.47Å
27V98.6Very high97.8Very high0 Ų035.4 Ų35.40%019%0.186CC..EExtended strand (participates in β ladder)trans-112.3116.7157.31750000106S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.56Å; S3-V27 VanDerWaalsContact O-CA 3.3Å; S3-V27 WeakPolarHBondContact O-CA 3.4Å; M4-V27 HydrophobicContact CB-CG2 4.45Å; M4-V27 HydrophobicContact CG-CG2 4.28Å; V27-D29 PolarHBondContact O-N 3.46Å; V27-T30 PolarHBondContact N-O 3.12Å; V27-T30 WeakPolarHBondContact O-CB 3.32Å; V27-T30 PolarHBondContact O-N 3.2Å; V27-F32 HydrophobicContact CG2-CD1 3.95Å; V27-F32 HydrophobicContact CG2-CE1 3.91Å; V27-W50 HydrophobicContact CB-CH2 4.25Å; V27-W50 HydrophobicContact CB-CZ2 4.34Å; V27-W50 HydrophobicContact CG2-CH2 3.83Å; V27-W50 HydrophobicContact CG2-CZ2 4.42Å; V27-L167 HydrophobicContact CG1-CD1 3.59Å; V27-L167 HydrophobicContact CG2-CD1 4.21Å; V27-Y170 HydrophobicContact CG2-CD2 3.84Å; V27-Y170 HydrophobicContact CG2-CG 4.38Å; V27-L171 HydrophobicContact CG1-CD2 4.1Å; V27-L178 HydrophobicContact CB-CD1 4.3Å; V27-L178 HydrophobicContact CB-CD2 4.23Å; V27-L178 HydrophobicContact CG1-CD1 3.87Å; V27-L178 HydrophobicContact CG1-CD2 4.13Å
28D97.2Very high98.1Very high33 Ų3335.9 Ų35.918%0.17618%0.175CC..THydrogen-bonded Turntrans45.8-132.1-164.6-57.7-47.6000110.8H2 S3 T30H2-D28 WeakPolarHBondContact CA-OD1 3.28Å; H2-D28 IonicContact CE1-OD2 3.46Å; H2-D28 IonicContact CG-OD2 3.49Å; H2-D28 IonicContact ND1-OD2 2.68Å; H2-D28 PolarHBondContact ND1-OD2 2.84Å; S3-D28 PolarHBondContact N-OD1 2.88Å; S3-D28 PolarHBondContact O-N 3.19Å; S3-D28 PolarHBondContact OG-OD1 2.62Å; D28-T30 PolarHBondContact O-N 3.05Å
29D96.9Very high98.2Very high62 Ų6232.8 Ų32.833%0.33217%0.166SC..THydrogen-bonded Turntrans-78.31.4179.8-64.4-58.6000114.3V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 3.46Å; D29-Y208 HydrophobicContact CB-CE2 4.01Å; D29-P209 VanDerWaalsContact OD2-CB 3.28Å; D29-P209 WeakPolarHBondContact OD2-CB 3.41Å; D29-A210 HydrophobicContact CB-CB 4.36Å; D29-A210 VanDerWaalsContact CG-CB 3.46Å; D29-A210 WeakPolarHBondContact OD1-CB 3.45Å; D29-A210 WeakPolarHBondContact OD2-CB 3.4Å; D29-A210 PolarHBondContact OD2-N 3.24Å; D29-F240 HydrophobicContact CB-CE2 3.72Å; D29-F240 HydrophobicContact CB-CZ 3.77Å
30T97.5Very high98.2Very high30 Ų3037.2 Ų37.218%0.18421%0.205CC..EExtended strand (participates in β ladder)trans-101.1111.8-173.3-600000112.3Y26 V27 D28 F32 A48 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.32Å; V27-T30 PolarHBondContact N-O 3.12Å; V27-T30 WeakPolarHBondContact O-CB 3.32Å; V27-T30 PolarHBondContact O-N 3.2Å; D28-T30 PolarHBondContact O-N 3.05Å; T30-F32 PolarHBondContact O-N 3.03Å; T30-A48 HydrophobicContact CG2-CB 4.36Å; T30-L178 HydrophobicContact CG2-CD2 4Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.47Å; T30-Y208 PolarHBondContact OG1-OH 2.77Å
31Q97.8Very high98.1Very high53 Ų5337 Ų3725%0.24822%0.217CC..EExtended strand (participates in β ladder)trans-66.4126.8171.6-166.3-175.84.200110.7V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.28Å; G25-Q31 WeakPolarHBondContact O-CG 3.46Å; Y26-Q31 HydrophobicContact CD1-CB 4.14Å; Y26-Q31 HydrophobicContact CD2-CB 4.41Å; Y26-Q31 HydrophobicContact CD2-CG 4.26Å; Y26-Q31 HydrophobicContact CE1-CB 3.7Å; Y26-Q31 HydrophobicContact CE1-CG 4.45Å; Y26-Q31 HydrophobicContact CE2-CB 4Å; Y26-Q31 HydrophobicContact CE2-CG 3.83Å; Y26-Q31 HydrophobicContact CG-CB 4.47Å; Q31-V33 PolarHBondContact NE2-O 2.74Å; Q31-R47 HydrophobicContact CG-CB 4.1Å; Q31-R47 HydrophobicContact CG-CG 4.37Å; Q31-R47 CarbonylContact O-C 3.6Å
32F98.3Very high98Very high0 Ų038.7 Ų38.70%023%0.228CC..EExtended strand (participates in β ladder)trans-116.9-23.417976.1-82.3000114.3M4 Y6 G25 V27 T30 R47 A48 W50 V51 Y170M4-F32 HydrophobicContact CG-CE1 4.36Å; M4-F32 HydrophobicContact CG-CZ 4.48Å; M4-F32 HydrophobicContact SD-CZ 4.21Å; Y6-F32 HydrophobicContact CE1-CZ 4.25Å; Y6-F32 AromaticContact CZ-CZ 3.88Å; G25-F32 WeakPolarHBondContact O-CD1 3.4Å; G25-F32 PolarHBondContact O-N 2.84Å; V27-F32 HydrophobicContact CG2-CD1 3.95Å; V27-F32 HydrophobicContact CG2-CE1 3.91Å; T30-F32 PolarHBondContact O-N 3.03Å; F32-R47 PolarHBondContact O-N 2.21Å; F32-A48 HydrophobicContact CB-CB 4.16Å; F32-W50 HydrophobicContact CB-CH2 3.15Å; F32-W50 HydrophobicContact CB-CZ2 3.42Å; F32-W50 VanDerWaalsContact CB-CZ2 3.42Å; F32-W50 HydrophobicContact CB-CZ3 3.85Å; F32-W50 AromaticContact CD1-CH2 3.97Å; F32-W50 HydrophobicContact CD1-CH2 3.97Å; F32-W50 AromaticContact CD2-CH2 3.79Å; F32-W50 HydrophobicContact CD2-CH2 3.79Å; F32-W50 AromaticContact CD2-CZ3 3.93Å; F32-W50 HydrophobicContact CD2-CZ3 3.93Å; F32-W50 AromaticContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CZ2 4.13Å; F32-W50 HydrophobicContact CG-CZ3 4.01Å; F32-V51 HydrophobicContact CB-CG1 4.37Å; F32-V51 HydrophobicContact CD2-CB 4.39Å; F32-V51 HydrophobicContact CD2-CG1 4.38Å; F32-V51 HydrophobicContact CD2-CG2 4.19Å; F32-V51 VanDerWaalsContact O-CG1 3.29Å; F32-V51 WeakPolarHBondContact O-CG1 3.35Å; F32-Y170 HydrophobicContact CD2-CE2 4.28Å; F32-Y170 HydrophobicContact CE1-CE2 4.47Å; F32-Y170 HydrophobicContact CE2-CD2 4.1Å; F32-Y170 HydrophobicContact CE2-CE1 4.37Å; F32-Y170 AromaticContact CE2-CE2 3.42Å; F32-Y170 HydrophobicContact CE2-CE2 3.42Å; F32-Y170 VanDerWaalsContact CE2-CE2 3.42Å; F32-Y170 AromaticContact CE2-CZ 3.59Å; F32-Y170 HydrophobicContact CZ-CD2 4.12Å; F32-Y170 AromaticContact CZ-CE2 3.54Å; F32-Y170 HydrophobicContact CZ-CE2 3.54Å
33V98.4Very high97.9Very high0 Ų043.4 Ų43.40%024%0.243CC..EExtended strand (participates in β ladder)trans-138.7154.1176.2-73.50000113.7Y6 V24 G25 Q31 E45 W59 Y66Y6-V33 HydrophobicContact CE1-CG2 4.02Å; V24-V33 WeakPolarHBondContact CA-O 2.96Å; G25-V33 PolarHBondContact N-O 3.18Å; G25-V33 PolarHBondContact O-N 3.44Å; Q31-V33 PolarHBondContact NE2-O 2.74Å; V33-E45 WeakPolarHBondContact CA-O 3.42Å; V33-W59 HydrophobicContact CG1-CH2 3.83Å; V33-W59 HydrophobicContact CG1-CZ3 3.8Å; V33-Y66 WeakPolarHBondContact CG2-OH 3.37Å
34R98.4Very high97.9Very high84 Ų8443.7 Ų43.732%0.31725%0.246SC..EExtended strand (participates in β ladder)trans-136.5149.8167.8-179.7172.4172.2166.5-3.9111S23 V24 D36 E45 R47S23-R34 CarbonylContact O-C 3.55Å; S23-R34 WeakPolarHBondContact O-CA 3.48Å; V24-R34 HydrophobicContact CG1-CG 4.32Å; R34-D36 IonicContact CZ-OD2 3.03Å; R34-D36 IonicContact NE-OD2 2.66Å; R34-D36 IonicContact NH2-OD2 2.66Å; R34-D36 PolarHBondContact NH2-OD2 2.97Å; R34-E45 PolarHBondContact N-O 3.17Å; R34-E45 PolarHBondContact O-N 2.83Å; R34-R47 HydrophobicContact CB-CG 4Å
35F98.8Very high97.8Very high4 Ų444.8 Ų44.82%0.01825%0.249CC..EExtended strand (participates in β ladder)trans-133.2146.8160.6179.7-83.6000109F21 I22 S23 P42 R43 Y66 K67F21-F35 AromaticContact CD1-CD1 3.66Å; F21-F35 HydrophobicContact CD1-CD1 3.66Å; F21-F35 AromaticContact CD1-CE1 3.82Å; F21-F35 HydrophobicContact CD1-CE1 3.82Å; F21-F35 AromaticContact CE1-CD1 3.82Å; F21-F35 HydrophobicContact CE1-CD1 3.82Å; F21-F35 HydrophobicContact CE1-CE1 4.27Å; I22-F35 WeakPolarHBondContact CA-O 3Å; S23-F35 PolarHBondContact N-O 3.13Å; S23-F35 PolarHBondContact O-N 3.11Å; F35-P42 HydrophobicContact CE1-CB 4.41Å; F35-P42 HydrophobicContact CE2-CB 3.91Å; F35-P42 HydrophobicContact CZ-CB 3.61Å; F35-R43 VanDerWaalsContact CD2-C 3.45Å; F35-R43 WeakPolarHBondContact CD2-O 3.2Å; F35-Y66 HydrophobicContact CB-CD1 4.23Å; F35-Y66 HydrophobicContact CB-CD2 3.59Å; F35-Y66 HydrophobicContact CB-CE2 4.07Å; F35-Y66 HydrophobicContact CB-CG 3.69Å; F35-Y66 HydrophobicContact CD1-CG 4.46Å; F35-Y66 VanDerWaalsContact CD2-CB 3.49Å; F35-Y66 AromaticContact CD2-CD2 3.6Å; F35-Y66 HydrophobicContact CD2-CD2 3.6Å; F35-Y66 AromaticContact CD2-CG 3.86Å; F35-Y66 HydrophobicContact CD2-CG 3.86Å; F35-Y66 AromaticContact CG-CD2 3.82Å; F35-Y66 HydrophobicContact CG-CD2 3.82Å; F35-Y66 AromaticContact CG-CG 3.76Å; F35-Y66 HydrophobicContact CG-CG 3.76Å; F35-K67 HydrophobicContact CE2-CG 4.17Å; F35-K67 HydrophobicContact CZ-CG 3.95Å
36D98.7Very high97.8Very high12 Ų1247 Ų476%0.06426%0.263CS..EExtended strand (participates in β ladder)trans-144.3121.7177.1-158.5-36.5000109.3R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.69Å; R20-D36 IonicContact CZ-OD2 2.83Å; R20-D36 IonicContact NE-OD1 2.67Å; R20-D36 PolarHBondContact NE-OD1 2.85Å; R20-D36 IonicContact NE-OD2 3.32Å; R20-D36 VanDerWaalsContact NH2-CG 3.28Å; R20-D36 IonicContact NH2-OD1 3.78Å; R20-D36 PolarHBondContact NH2-OD1 3.12Å; R20-D36 IonicContact NH2-OD2 3.14Å; R20-D36 PolarHBondContact NH2-OD2 2.78Å; R34-D36 IonicContact CZ-OD2 3.03Å; R34-D36 IonicContact NE-OD2 2.66Å; R34-D36 IonicContact NH2-OD2 2.66Å; R34-D36 PolarHBondContact NH2-OD2 2.97Å; D36-D38 PolarHBondContact O-N 2.82Å; D36-D38 PolarHBondContact OD1-N 2.92Å; D36-A39 HydrophobicContact CB-CB 4.47Å; D36-A39 WeakPolarHBondContact O-CB 3.19Å; D36-A39 PolarHBondContact O-N 2.82Å
37S98.3Very high97.7Very high34 Ų3449.2 Ų49.224%0.23827%0.271CS..THydrogen-bonded Turntrans-65.6-23.2-177.865.60000113.7R20 F21 P42R20-S37 WeakPolarHBondContact CA-OG 3.45Å; R20-S37 WeakPolarHBondContact CG-OG 3.29Å; F21-S37 PolarHBondContact N-OG 2.94Å; F21-S37 PolarHBondContact O-N 3.13Å; F21-S37 PolarHBondContact O-OG 3.04Å; S37-P42 WeakPolarHBondContact O-CG 3.48Å
38D97.6Very high97.6Very high69 Ų6949.4 Ų49.437%0.36927%0.273SS..THydrogen-bonded Turntrans-92.70.5-176.3-71.413.7000112.5R13 R20 D36R13-D38 IonicContact CZ-OD1 3.61Å; R13-D38 IonicContact CZ-OD2 3.3Å; R13-D38 IonicContact NH1-OD1 3.84Å; R13-D38 IonicContact NH1-OD2 3.02Å; R13-D38 PolarHBondContact NH1-OD2 2.81Å; R13-D38 IonicContact NH2-OD1 2.77Å; R13-D38 PolarHBondContact NH2-OD1 2.86Å; R13-D38 IonicContact NH2-OD2 3.52Å; R13-D38 PolarHBondContact NH2-OD2 3.43Å; R20-D38 VanDerWaalsContact CD-OD2 3.28Å; R20-D38 WeakPolarHBondContact CD-OD2 3.43Å; R20-D38 HydrophobicContact CG-CB 4.45Å; R20-D38 IonicContact NE-OD2 2.72Å; D36-D38 PolarHBondContact O-N 2.82Å; D36-D38 PolarHBondContact OD1-N 2.92Å
39A97.4Very high97.6Very high35 Ų3552.8 Ų52.829%0.28930%0.296SS..SBendtrans-64.4146.9171.300000110.9D36 S41 P42D36-A39 HydrophobicContact CB-CB 4.47Å; D36-A39 WeakPolarHBondContact O-CB 3.19Å; D36-A39 PolarHBondContact O-N 2.82Å; A39-S41 PolarHBondContact O-N 3.3Å; A39-P42 VanDerWaalsContact O-CD 3.23Å; A39-P42 WeakPolarHBondContact O-CD 3.18Å; A39-P42 WeakPolarHBondContact O-CG 3.47Å
40A96.8Very high97.6Very high120 Ų12050.5 Ų50.599%0.99228%0.283SS*.SBendtrans-61.1-20.1-179.100000114.1
41S96.1Very high97.5Very high84 Ų8449 Ų4959%0.58727%0.274SS*.SBendtrans-143.392.4167-174.20000108.8A39 R43A39-S41 PolarHBondContact O-N 3.3Å; S41-R43 PolarHBondContact O-N 3.45Å; S41-R43 VanDerWaalsContact O-N 3.17Å
42P97.1Very high97.4Very high37 Ų3752.3 Ų52.324%0.2429%0.289CS..  trans-65.5116.3-173.5-24.836000112F35 S37 A39 K67F35-P42 HydrophobicContact CE1-CB 4.41Å; F35-P42 HydrophobicContact CE2-CB 3.91Å; F35-P42 HydrophobicContact CZ-CB 3.61Å; S37-P42 WeakPolarHBondContact O-CG 3.48Å; A39-P42 VanDerWaalsContact O-CD 3.23Å; A39-P42 WeakPolarHBondContact O-CD 3.18Å; A39-P42 WeakPolarHBondContact O-CG 3.47Å; P42-K67 WeakPolarHBondContact O-CE 3.45Å; P42-K67 PolarHBondContact O-NZ 3.32Å
43R97.9Very high97.3Very high150 Ų15058.2 Ų58.257%0.56632%0.317SS*.  trans-148.3163.7178.261.7-177.2172.5179-0.8110F35 S41 E45 T63F35-R43 VanDerWaalsContact CD2-C 3.45Å; F35-R43 WeakPolarHBondContact CD2-O 3.2Å; S41-R43 PolarHBondContact O-N 3.45Å; S41-R43 VanDerWaalsContact O-N 3.17Å; R43-E45 HydrophobicContact CG-CG 4.28Å; R43-T63 WeakPolarHBondContact CA-OG1 3.37Å; R43-T63 HydrophobicContact CB-CG2 4.25Å
44G97.6Very high97.2Very high6 Ų658.8 Ų58.86%0.06232%0.32CS..  trans-65.8133.9164.900000109.6T63G44-T63 PolarHBondContact N-OG1 3.33Å
45E97.9Very high97.1Very high55 Ų5556.5 Ų56.526%0.25732%0.322SS..EExtended strand (participates in β ladder)trans-122.5135.8179.9-60.8-177.8143.300110V33 R34 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.42Å; R34-E45 PolarHBondContact N-O 3.17Å; R34-E45 PolarHBondContact O-N 2.83Å; R43-E45 HydrophobicContact CG-CG 4.28Å; E45-R47 IonicContact OE2-CZ 2.74Å; E45-R47 IonicContact OE2-NH2 3.56Å; E45-R47 PolarHBondContact OE2-NH2 2.84Å
46P98Very high97Very high46 Ų4661 Ų6130%0.29935%0.352SS..EExtended strand (participates in β ladder)trans-66.2149.5172.928.4-34.5000111.4V51 E52 W59P46-V51 HydrophobicContact CB-CG1 3.96Å; P46-E52 HydrophobicContact CB-CG 3.63Å; P46-E52 HydrophobicContact CG-CG 3.9Å; P46-W59 HydrophobicContact CB-CH2 3.66Å; P46-W59 HydrophobicContact CB-CZ2 3.9Å; P46-W59 HydrophobicContact CG-CH2 4.26Å; P46-W59 HydrophobicContact CG-CZ2 4.35Å
47R97.5Very high97Very high119 Ų11968.4 Ų68.445%0.44939%0.386SS..  trans-133.4-4.2175.2-59.9-66.3163.2-178.3-3.5113.5Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.1Å; Q31-R47 HydrophobicContact CG-CG 4.37Å; Q31-R47 CarbonylContact O-C 3.6Å; F32-R47 PolarHBondContact O-N 2.21Å; R34-R47 HydrophobicContact CB-CG 4Å; E45-R47 IonicContact OE2-CZ 2.74Å; E45-R47 IonicContact OE2-NH2 3.56Å; E45-R47 PolarHBondContact OE2-NH2 2.84Å
48A96.3Very high96.9Very high5 Ų567.1 Ų67.14%0.04138%0.376CS..SBendtrans-136142.1170.100000110.5T30 F32 W50 V51T30-A48 HydrophobicContact CG2-CB 4.36Å; F32-A48 HydrophobicContact CB-CB 4.16Å; A48-W50 VanDerWaalsContact C-N 3.26Å; A48-W50 HydrophobicContact CB-CD2 4.23Å; A48-W50 HydrophobicContact CB-CG 4.38Å; A48-W50 HydrophobicContact CB-CZ2 4.15Å; A48-W50 PolarHBondContact O-N 2.81Å; A48-V51 WeakPolarHBondContact O-CG1 3.37Å; A48-V51 PolarHBondContact O-N 2.84Å
49P96.3Very high96.9Very high103 Ų10365.7 Ų65.767%0.66937%0.365SS*.Hα-helixtrans-58.3-33.7-175.3-27.235.5000114.3V51 E52P49-V51 PolarHBondContact O-N 2.9Å; P49-V51 VanDerWaalsContact O-N 3.16Å; P49-E52 WeakPolarHBondContact O-CB 3.47Å; P49-E52 PolarHBondContact O-N 2.03Å
50W96.1Very high97Very high14 Ų1469 Ų695%0.05338%0.379CS..Hα-helixtrans-69.3-10.8-176.154.5-108.7000115.1V27 F32 A48 Q53 Y170 N173 G174 T177 L178V27-W50 HydrophobicContact CB-CH2 4.25Å; V27-W50 HydrophobicContact CB-CZ2 4.34Å; V27-W50 HydrophobicContact CG2-CH2 3.83Å; V27-W50 HydrophobicContact CG2-CZ2 4.42Å; F32-W50 HydrophobicContact CB-CH2 3.15Å; F32-W50 HydrophobicContact CB-CZ2 3.42Å; F32-W50 VanDerWaalsContact CB-CZ2 3.42Å; F32-W50 HydrophobicContact CB-CZ3 3.85Å; F32-W50 AromaticContact CD1-CH2 3.97Å; F32-W50 HydrophobicContact CD1-CH2 3.97Å; F32-W50 AromaticContact CD2-CH2 3.79Å; F32-W50 HydrophobicContact CD2-CH2 3.79Å; F32-W50 AromaticContact CD2-CZ3 3.93Å; F32-W50 HydrophobicContact CD2-CZ3 3.93Å; F32-W50 AromaticContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CZ2 4.13Å; F32-W50 HydrophobicContact CG-CZ3 4.01Å; A48-W50 VanDerWaalsContact C-N 3.26Å; A48-W50 HydrophobicContact CB-CD2 4.23Å; A48-W50 HydrophobicContact CB-CG 4.38Å; A48-W50 HydrophobicContact CB-CZ2 4.15Å; A48-W50 PolarHBondContact O-N 2.81Å; W50-Q53 WeakPolarHBondContact O-CG 3.11Å; W50-Q53 PolarHBondContact O-NE2 3.15Å; W50-Y170 HydrophobicContact CE3-CD1 4.22Å; W50-Y170 HydrophobicContact CE3-CG 4.44Å; W50-Y170 HydrophobicContact CH2-CD1 4.48Å; W50-Y170 HydrophobicContact CH2-CD2 4.44Å; W50-Y170 HydrophobicContact CH2-CG 4.05Å; W50-Y170 AromaticContact CZ3-CD1 3.55Å; W50-Y170 HydrophobicContact CZ3-CD1 3.55Å; W50-Y170 HydrophobicContact CZ3-CD2 4.24Å; W50-Y170 HydrophobicContact CZ3-CE1 4.3Å; W50-Y170 AromaticContact CZ3-CG 3.52Å; W50-Y170 HydrophobicContact CZ3-CG 3.52Å; W50-N173 WeakPolarHBondContact CB-O 3.42Å; W50-G174 VanDerWaalsContact CB-CA 3.45Å; W50-G174 VanDerWaalsContact CG-CA 3.44Å; W50-T177 PolarHBondContact NE1-OG1 2.78Å; W50-L178 HydrophobicContact CD2-CD1 4.38Å; W50-L178 HydrophobicContact CH2-CD1 4.25Å; W50-L178 HydrophobicContact CZ2-CD1 3.69Å; W50-L178 HydrophobicContact CZ2-CD2 3.97Å; W50-L178 HydrophobicContact CZ2-CG 4.26Å
51V97.3Very high97Very high0 Ų068.1 Ų68.10%035%0.349CS..Hα-helixtrans-99.8-13.1169.973.70000112.5F32 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-V51 HydrophobicContact CB-CG1 4.37Å; F32-V51 HydrophobicContact CD2-CB 4.39Å; F32-V51 HydrophobicContact CD2-CG1 4.38Å; F32-V51 HydrophobicContact CD2-CG2 4.19Å; F32-V51 VanDerWaalsContact O-CG1 3.29Å; F32-V51 WeakPolarHBondContact O-CG1 3.35Å; P46-V51 HydrophobicContact CB-CG1 3.96Å; A48-V51 WeakPolarHBondContact O-CG1 3.37Å; A48-V51 PolarHBondContact O-N 2.84Å; P49-V51 PolarHBondContact O-N 2.9Å; P49-V51 VanDerWaalsContact O-N 3.16Å; V51-Q53 PolarHBondContact O-N 2.84Å; V51-E54 HydrophobicContact CG2-CB 4.38Å; V51-E54 HydrophobicContact CG2-CG 3.69Å; V51-E54 VanDerWaalsContact O-CB 3.3Å; V51-E54 WeakPolarHBondContact O-CB 3.29Å; V51-E54 WeakPolarHBondContact O-CG 3.43Å; V51-E54 PolarHBondContact O-N 2.87Å; V51-Y58 HydrophobicContact CG2-CE1 3.94Å; V51-W59 HydrophobicContact CG1-CH2 3.98Å; V51-W59 HydrophobicContact CG1-CZ2 4.18Å; V51-W59 HydrophobicContact CG2-CH2 4.1Å; V51-W59 HydrophobicContact CG2-CZ2 4.02Å; V51-W59 WeakPolarHBondContact O-CZ2 3.47Å; V51-Y170 HydrophobicContact CG2-CE1 4.24Å
52E95.8Very high97.1Very high121 Ų12164.3 Ų64.357%0.56532%0.322SS*.Hα-helixtrans-63.5-24.6178.6-64-177.2-176.100112.9P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.63Å; P46-E52 HydrophobicContact CG-CG 3.9Å; P49-E52 WeakPolarHBondContact O-CB 3.47Å; P49-E52 PolarHBondContact O-N 2.03Å; E52-E54 PolarHBondContact O-N 3.34Å
53Q95Very high97.1Very high125 Ų12563 Ų6358%0.58431%0.313SS*.THydrogen-bonded Turntrans-71.5-8.9172.466.1-174.9-34.700114.7W50 V51W50-Q53 WeakPolarHBondContact O-CG 3.11Å; W50-Q53 PolarHBondContact O-NE2 3.15Å; V51-Q53 PolarHBondContact O-N 2.84Å
54E96.8Very high97.2Very high12 Ų1260.8 Ų60.86%0.05631%0.31CS..SBendtrans-69.6132.7175.5-68.4-61.5158.500111.4V51 E52 Y58 W59 R169 N173V51-E54 HydrophobicContact CG2-CB 4.38Å; V51-E54 HydrophobicContact CG2-CG 3.69Å; V51-E54 VanDerWaalsContact O-CB 3.3Å; V51-E54 WeakPolarHBondContact O-CB 3.29Å; V51-E54 WeakPolarHBondContact O-CG 3.43Å; V51-E54 PolarHBondContact O-N 2.87Å; E52-E54 PolarHBondContact O-N 3.34Å; E54-Y58 HydrophobicContact CB-CD1 3.41Å; E54-Y58 VanDerWaalsContact CB-CD1 3.41Å; E54-Y58 HydrophobicContact CB-CE1 3.97Å; E54-Y58 HydrophobicContact CB-CG 3.74Å; E54-Y58 HydrophobicContact CG-CD1 3.99Å; E54-Y58 HydrophobicContact CG-CD2 4.45Å; E54-Y58 HydrophobicContact CG-CE1 4.17Å; E54-Y58 HydrophobicContact CG-CG 4.16Å; E54-W59 VanDerWaalsContact O-CD1 3.22Å; E54-W59 PolarHBondContact O-NE1 3.39Å; E54-R169 VanDerWaalsContact CD-NH2 3.26Å; E54-R169 IonicContact OE1-CZ 2.79Å; E54-R169 VanDerWaalsContact OE1-CZ 3.3Å; E54-R169 IonicContact OE1-NE 3.52Å; E54-R169 PolarHBondContact OE1-NE 3.04Å; E54-R169 IonicContact OE1-NH2 2.93Å; E54-R169 PolarHBondContact OE1-NH2 3.35Å; E54-R169 IonicContact OE2-CZ 3.13Å; E54-R169 IonicContact OE2-NE 3.87Å; E54-R169 IonicContact OE2-NH2 3.34Å; E54-R169 PolarHBondContact OE2-NH2 3.01Å; E54-N173 PolarHBondContact OE1-ND2 3.32Å
55G96.1Very high97.1Very high35 Ų3563.8 Ų63.836%0.36132%0.321SS..  trans-67.9167.6-173.900000114.6E57 Y58 W59G55-E57 PolarHBondContact O-N 2.92Å; G55-Y58 WeakPolarHBondContact O-CB 3.37Å; G55-Y58 PolarHBondContact O-N 2.89Å; G55-W59 PolarHBondContact O-N 2.84Å
56P97Very high97.2Very high100 Ų10061.7 Ų61.765%0.64931%0.311SS*.Hα-helixtrans-57.2-35.9-176.922.7-33.6000113.1Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.25Å; P56-Y58 PolarHBondContact O-N 3.05Å; P56-W59 PolarHBondContact O-N 2.73Å; P56-W59 VanDerWaalsContact O-N 3.12Å; P56-D60 PolarHBondContact O-N 2.82Å
57E97.6Very high97.2Very high166 Ų16663.3 Ų63.378%0.77631%0.313SS*.Hα-helixtrans-58.6-34.2176.6-61.4-176.2178.300113.3G55 R61G55-E57 PolarHBondContact O-N 2.92Å; E57-R61 WeakPolarHBondContact O-CB 3.39Å; E57-R61 PolarHBondContact O-N 3.26Å; E57-R61 VanDerWaalsContact O-N 3.08Å
58Y97.5Very high97.2Very high7 Ų765.4 Ų65.43%0.02732%0.321CS..Hα-helixtrans-66.6-53.9173165.9-92.5000109.7V51 E54 G55 P56 D60 R61 E62 W166 Y170V51-Y58 HydrophobicContact CG2-CE1 3.94Å; E54-Y58 HydrophobicContact CB-CD1 3.41Å; E54-Y58 VanDerWaalsContact CB-CD1 3.41Å; E54-Y58 HydrophobicContact CB-CE1 3.97Å; E54-Y58 HydrophobicContact CB-CG 3.74Å; E54-Y58 HydrophobicContact CG-CD1 3.99Å; E54-Y58 HydrophobicContact CG-CD2 4.45Å; E54-Y58 HydrophobicContact CG-CE1 4.17Å; E54-Y58 HydrophobicContact CG-CG 4.16Å; G55-Y58 WeakPolarHBondContact O-CB 3.37Å; G55-Y58 PolarHBondContact O-N 2.89Å; P56-Y58 VanDerWaalsContact C-N 3.25Å; P56-Y58 PolarHBondContact O-N 3.05Å; Y58-D60 VanDerWaalsContact C-N 3.34Å; Y58-D60 PolarHBondContact O-N 2.74Å; Y58-R61 PolarHBondContact O-N 3.18Å; Y58-R61 VanDerWaalsContact O-N 3.14Å; Y58-E62 HydrophobicContact CD1-CG 4.42Å; Y58-E62 HydrophobicContact CD2-CG 3.92Å; Y58-E62 HydrophobicContact CE1-CG 4.12Å; Y58-E62 HydrophobicContact CE2-CG 3.56Å; Y58-E62 HydrophobicContact CG-CG 4.32Å; Y58-E62 WeakPolarHBondContact O-CG 3.32Å; Y58-E62 PolarHBondContact O-N 3.4Å; Y58-W166 HydrophobicContact CD2-CE3 4.43Å; Y58-W166 AromaticContact CD2-CH2 3.66Å; Y58-W166 HydrophobicContact CD2-CH2 3.66Å; Y58-W166 HydrophobicContact CD2-CZ2 4.44Å; Y58-W166 AromaticContact CD2-CZ3 3.64Å; Y58-W166 HydrophobicContact CD2-CZ3 3.64Å; Y58-W166 HydrophobicContact CE2-CE3 4.14Å; Y58-W166 HydrophobicContact CE2-CH2 4.19Å; Y58-W166 AromaticContact CE2-CZ3 3.75Å; Y58-W166 HydrophobicContact CE2-CZ3 3.75Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.27Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.43Å; Y58-Y170 PolarHBondContact OH-OH 2.94Å
59W98.1Very high97.3Very high39 Ų3967.7 Ų67.715%0.14833%0.331CS..Hα-helixtrans-61.8-38.4-177-67.4108000113.3V33 P46 V51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 3.83Å; V33-W59 HydrophobicContact CG1-CZ3 3.8Å; P46-W59 HydrophobicContact CB-CH2 3.66Å; P46-W59 HydrophobicContact CB-CZ2 3.9Å; P46-W59 HydrophobicContact CG-CH2 4.26Å; P46-W59 HydrophobicContact CG-CZ2 4.35Å; V51-W59 HydrophobicContact CG1-CH2 3.98Å; V51-W59 HydrophobicContact CG1-CZ2 4.18Å; V51-W59 HydrophobicContact CG2-CH2 4.1Å; V51-W59 HydrophobicContact CG2-CZ2 4.02Å; V51-W59 WeakPolarHBondContact O-CZ2 3.47Å; E54-W59 VanDerWaalsContact O-CD1 3.22Å; E54-W59 PolarHBondContact O-NE1 3.39Å; G55-W59 PolarHBondContact O-N 2.84Å; P56-W59 PolarHBondContact O-N 2.73Å; P56-W59 VanDerWaalsContact O-N 3.12Å; W59-T63 WeakPolarHBondContact O-CB 3.48Å; W59-T63 PolarHBondContact O-N 2.94Å; W59-T63 PolarHBondContact O-OG1 3.04Å
60D98Very high97.4Very high106 Ų10663.8 Ų63.857%0.56731%0.307SS*.Hα-helixtrans-65.8-47.5172.8-79.8-32.8000111.4P56 Y58 E62 T63 Q64P56-D60 PolarHBondContact O-N 2.82Å; Y58-D60 VanDerWaalsContact C-N 3.34Å; Y58-D60 PolarHBondContact O-N 2.74Å; D60-E62 PolarHBondContact O-N 2.87Å; D60-T63 WeakPolarHBondContact O-CB 3.37Å; D60-T63 PolarHBondContact O-N 3.36Å; D60-Q64 VanDerWaalsContact O-CG 3.3Å; D60-Q64 WeakPolarHBondContact O-CG 3.43Å; D60-Q64 PolarHBondContact O-N 2.93Å
61R97.4Very high97.5Very high101 Ų10168.2 Ų68.238%0.38133%0.329SS..Hα-helixtrans-62.1-44.8179.9-174.3-170.670.3-151.2-0.9112.3E57 Y58 Q64 K65E57-R61 WeakPolarHBondContact O-CB 3.39Å; E57-R61 PolarHBondContact O-N 3.26Å; E57-R61 VanDerWaalsContact O-N 3.08Å; Y58-R61 PolarHBondContact O-N 3.18Å; Y58-R61 VanDerWaalsContact O-N 3.14Å; R61-Q64 PolarHBondContact O-N 3.46Å; R61-K65 PolarHBondContact O-N 2.93Å
62E97.5Very high97.5Very high4 Ų470.3 Ų70.32%0.01935%0.346CS..Hα-helixtrans-67.9-40.9176.6-57.2-43.1115.400110.9Y58 D60 Q64 K65 Y66Y58-E62 HydrophobicContact CD1-CG 4.42Å; Y58-E62 HydrophobicContact CD2-CG 3.92Å; Y58-E62 HydrophobicContact CE1-CG 4.12Å; Y58-E62 HydrophobicContact CE2-CG 3.56Å; Y58-E62 HydrophobicContact CG-CG 4.32Å; Y58-E62 WeakPolarHBondContact O-CG 3.32Å; Y58-E62 PolarHBondContact O-N 3.4Å; D60-E62 PolarHBondContact O-N 2.87Å; E62-Q64 VanDerWaalsContact C-N 3.27Å; E62-Q64 PolarHBondContact O-N 3.45Å; E62-K65 WeakPolarHBondContact O-CA 3.38Å; E62-K65 WeakPolarHBondContact O-CB 3.39Å; E62-K65 PolarHBondContact O-N 3Å; E62-K65 WeakPolarHBondContact OE1-CE 3.37Å; E62-K65 IonicContact OE1-NZ 3.88Å; E62-K65 PolarHBondContact OE1-NZ 3.02Å; E62-K65 WeakPolarHBondContact OE2-CD 3.45Å; E62-K65 WeakPolarHBondContact OE2-CE 3.35Å; E62-K65 IonicContact OE2-NZ 3.47Å; E62-K65 PolarHBondContact OE2-NZ 3.29Å; E62-Y66 HydrophobicContact CB-CE2 4Å; E62-Y66 WeakPolarHBondContact O-CD2 3.44Å; E62-Y66 PolarHBondContact O-N 3.48Å
63T98.4Very high97.6Very high8 Ų864.9 Ų64.95%0.04932%0.321CS..Hα-helixtrans-55-41.5171.2-66.40000112.4R43 G44 W59 D60 K67R43-T63 WeakPolarHBondContact CA-OG1 3.37Å; R43-T63 HydrophobicContact CB-CG2 4.25Å; G44-T63 PolarHBondContact N-OG1 3.33Å; W59-T63 WeakPolarHBondContact O-CB 3.48Å; W59-T63 PolarHBondContact O-N 2.94Å; W59-T63 PolarHBondContact O-OG1 3.04Å; D60-T63 WeakPolarHBondContact O-CB 3.37Å; D60-T63 PolarHBondContact O-N 3.36Å; T63-K67 HydrophobicContact CG2-CD 3.93Å; T63-K67 WeakPolarHBondContact O-CB 3.3Å; T63-K67 WeakPolarHBondContact O-CG 3.47Å; T63-K67 PolarHBondContact O-N 2.97Å
64Q98.3Very high97.8Very high105 Ų10562.2 Ų62.249%0.49131%0.305SS..Hα-helixtrans-77.5-17.3176.9-63-62.4-7.800113.6D60 R61 E62 R68D60-Q64 VanDerWaalsContact O-CG 3.3Å; D60-Q64 WeakPolarHBondContact O-CG 3.43Å; D60-Q64 PolarHBondContact O-N 2.93Å; R61-Q64 PolarHBondContact O-N 3.46Å; E62-Q64 VanDerWaalsContact C-N 3.27Å; E62-Q64 PolarHBondContact O-N 3.45Å; Q64-R68 WeakPolarHBondContact O-CG 3.14Å; Q64-R68 PolarHBondContact O-N 2.92Å; Q64-R68 PolarHBondContact O-NE 3.43Å
65K97.3Very high97.8Very high69 Ų6964.8 Ų64.830%0.332%0.322SS..Hα-helixtrans-72-54.4164.6-71.3172-176.1170.20110.1R61 E62 K67 R68 Q69R61-K65 PolarHBondContact O-N 2.93Å; E62-K65 WeakPolarHBondContact O-CA 3.38Å; E62-K65 WeakPolarHBondContact O-CB 3.39Å; E62-K65 PolarHBondContact O-N 3Å; E62-K65 WeakPolarHBondContact OE1-CE 3.37Å; E62-K65 IonicContact OE1-NZ 3.88Å; E62-K65 PolarHBondContact OE1-NZ 3.02Å; E62-K65 WeakPolarHBondContact OE2-CD 3.45Å; E62-K65 WeakPolarHBondContact OE2-CE 3.35Å; E62-K65 IonicContact OE2-NZ 3.47Å; E62-K65 PolarHBondContact OE2-NZ 3.29Å; K65-K67 VanDerWaalsContact C-N 3.31Å; K65-K67 PolarHBondContact O-N 3.41Å; K65-R68 WeakPolarHBondContact O-CA 3.47Å; K65-R68 WeakPolarHBondContact O-CB 3.45Å; K65-R68 PolarHBondContact O-N 3.48Å; K65-Q69 PolarHBondContact O-N 2.89Å
66Y98.4Very high97.9Very high10 Ų1065.1 Ų65.14%0.03932%0.319CS..Hα-helixtrans-57.2-41.9-179.5-57.9-50.2000112.5S23 V33 F35 E62 R68 Q69 A70S23-Y66 WeakPolarHBondContact OG-CD1 3.31Å; S23-Y66 WeakPolarHBondContact OG-CE1 3.49Å; V33-Y66 WeakPolarHBondContact CG2-OH 3.37Å; F35-Y66 HydrophobicContact CB-CD1 4.23Å; F35-Y66 HydrophobicContact CB-CD2 3.59Å; F35-Y66 HydrophobicContact CB-CE2 4.07Å; F35-Y66 HydrophobicContact CB-CG 3.69Å; F35-Y66 HydrophobicContact CD1-CG 4.46Å; F35-Y66 VanDerWaalsContact CD2-CB 3.49Å; F35-Y66 AromaticContact CD2-CD2 3.6Å; F35-Y66 HydrophobicContact CD2-CD2 3.6Å; F35-Y66 AromaticContact CD2-CG 3.86Å; F35-Y66 HydrophobicContact CD2-CG 3.86Å; F35-Y66 AromaticContact CG-CD2 3.82Å; F35-Y66 HydrophobicContact CG-CD2 3.82Å; F35-Y66 AromaticContact CG-CG 3.76Å; F35-Y66 HydrophobicContact CG-CG 3.76Å; E62-Y66 HydrophobicContact CB-CE2 4Å; E62-Y66 WeakPolarHBondContact O-CD2 3.44Å; E62-Y66 PolarHBondContact O-N 3.48Å; Y66-R68 VanDerWaalsContact C-N 3.31Å; Y66-R68 PolarHBondContact O-N 3.38Å; Y66-Q69 PolarHBondContact O-N 3.42Å; Y66-A70 WeakPolarHBondContact O-CB 3.49Å; Y66-A70 PolarHBondContact O-N 3.41Å
67K98.3Very high98Very high81 Ų8160.7 Ų60.735%0.35229%0.29SS..Hα-helixtrans-64.7-30.5175.5-74.8172.8-179.8167.40113.8F35 P42 T63 K65 Q71F35-K67 HydrophobicContact CE2-CG 4.17Å; F35-K67 HydrophobicContact CZ-CG 3.95Å; P42-K67 WeakPolarHBondContact O-CE 3.45Å; P42-K67 PolarHBondContact O-NZ 3.32Å; T63-K67 HydrophobicContact CG2-CD 3.93Å; T63-K67 WeakPolarHBondContact O-CB 3.3Å; T63-K67 WeakPolarHBondContact O-CG 3.47Å; T63-K67 PolarHBondContact O-N 2.97Å; K65-K67 VanDerWaalsContact C-N 3.31Å; K65-K67 PolarHBondContact O-N 3.41Å; K67-Q71 WeakPolarHBondContact O-CG 3.49Å
68R98.2Very high97.9Very high163 Ų16358.6 Ų58.662%0.61528%0.275SS*.Hα-helixtrans-76.2-41.7172.7-76.9-179.6-68.7158.4-0.2111.7Q64 K65 Y66 Q71 A72Q64-R68 WeakPolarHBondContact O-CG 3.14Å; Q64-R68 PolarHBondContact O-N 2.92Å; Q64-R68 PolarHBondContact O-NE 3.43Å; K65-R68 WeakPolarHBondContact O-CA 3.47Å; K65-R68 WeakPolarHBondContact O-CB 3.45Å; K65-R68 PolarHBondContact O-N 3.48Å; Y66-R68 VanDerWaalsContact C-N 3.31Å; Y66-R68 PolarHBondContact O-N 3.38Å; R68-Q71 PolarHBondContact O-N 3Å; R68-A72 PolarHBondContact O-N 3.3Å
69Q98.2Very high97.9Very high52 Ų5261.7 Ų61.724%0.24329%0.291CS..Hα-helixtrans-61.1-46.2176.3-167.261.739.500111.2F21 K65 Y66 Q71 A72 D73F21-Q69 HydrophobicContact CE2-CB 4.07Å; F21-Q69 HydrophobicContact CE2-CG 3.67Å; F21-Q69 HydrophobicContact CZ-CB 3.88Å; F21-Q69 HydrophobicContact CZ-CG 3.82Å; K65-Q69 PolarHBondContact O-N 2.89Å; Y66-Q69 PolarHBondContact O-N 3.42Å; Q69-Q71 VanDerWaalsContact C-N 3.27Å; Q69-Q71 PolarHBondContact O-N 3.49Å; Q69-A72 CarbonylContact O-C 3.54Å; Q69-A72 WeakPolarHBondContact O-CA 3.14Å; Q69-A72 WeakPolarHBondContact O-CB 3.38Å; Q69-A72 PolarHBondContact O-N 2.93Å; Q69-D73 PolarHBondContact NE2-OD1 3.48Å; Q69-D73 PolarHBondContact O-N 3.37Å
70A98.4Very high97.9Very high22 Ų2260.1 Ų60.118%0.18229%0.286CS..Hα-helixtrans-55.9-37.7175.800000113.6F21 Y66 R74F21-A70 HydrophobicContact CB-CB 3.65Å; F21-A70 HydrophobicContact CD1-CB 3.81Å; F21-A70 HydrophobicContact CD2-CB 4.1Å; F21-A70 HydrophobicContact CE1-CB 4.5Å; F21-A70 HydrophobicContact CG-CB 3.58Å; Y66-A70 WeakPolarHBondContact O-CB 3.49Å; Y66-A70 PolarHBondContact O-N 3.41Å; A70-R74 VanDerWaalsContact O-CB 3.27Å; A70-R74 WeakPolarHBondContact O-CB 3.36Å; A70-R74 PolarHBondContact O-N 2.91Å; A70-R74 VanDerWaalsContact O-N 3.08Å
71Q98.1Very high97.9Very high106 Ų10658 Ų5850%0.49527%0.27SS..Hα-helixtrans-75.4-35.3175.2-67.7-67.4-1400112.5K67 R68 Q69 V75K67-Q71 WeakPolarHBondContact O-CG 3.49Å; R68-Q71 PolarHBondContact O-N 3Å; Q69-Q71 VanDerWaalsContact C-N 3.27Å; Q69-Q71 PolarHBondContact O-N 3.49Å; Q71-V75 WeakPolarHBondContact O-CG2 3.44Å; Q71-V75 PolarHBondContact O-N 3Å
72A97.6Very high97.9Very high44 Ų4455.2 Ų55.236%0.36427%0.273SS..Hα-helixtrans-63-49.117300000110.7R68 Q69 R74 V75 S76R68-A72 PolarHBondContact O-N 3.3Å; Q69-A72 CarbonylContact O-C 3.54Å; Q69-A72 WeakPolarHBondContact O-CA 3.14Å; Q69-A72 WeakPolarHBondContact O-CB 3.38Å; Q69-A72 PolarHBondContact O-N 2.93Å; A72-R74 VanDerWaalsContact C-N 3.34Å; A72-R74 PolarHBondContact O-N 3.49Å; A72-V75 CarbonylContact O-C 3.5Å; A72-V75 WeakPolarHBondContact O-CA 3.34Å; A72-V75 WeakPolarHBondContact O-CB 3.32Å; A72-V75 PolarHBondContact O-N 3.24Å; A72-S76 PolarHBondContact O-N 2.89Å; A72-S76 PolarHBondContact O-OG 2.85Å
73D98.1Very high97.9Very high7 Ų757.4 Ų57.44%0.03728%0.281CS..Hα-helixtrans-65-36.5179.8-67.2-8.5000112.1A10 F21 Q69 V75 S76 L77 L94A10-D73 HydrophobicContact CB-CB 3.64Å; F21-D73 WeakPolarHBondContact CD2-OD2 3.35Å; F21-D73 VanDerWaalsContact CE2-OD2 3.24Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.41Å; Q69-D73 PolarHBondContact NE2-OD1 3.48Å; Q69-D73 PolarHBondContact O-N 3.37Å; D73-V75 PolarHBondContact O-N 2.98Å; D73-S76 PolarHBondContact O-N 3.02Å; D73-L77 WeakPolarHBondContact O-CB 3.39Å; D73-L77 WeakPolarHBondContact O-CG 3.46Å; D73-L77 PolarHBondContact O-N 3.39Å; D73-L94 HydrophobicContact CB-CD2 4.06Å
74R97.9Very high97.9Very high69 Ų6960.4 Ų60.426%0.2629%0.292SS..Hα-helixtrans-60.1-30.9169.7-179.2-169.5177-148.12.8112.9E18 P19 A70 A72 R78E18-R74 VanDerWaalsContact CD-CZ 3.42Å; E18-R74 VanDerWaalsContact CD-NE 3.34Å; E18-R74 IonicContact OE1-CZ 2.74Å; E18-R74 IonicContact OE1-NE 2.69Å; E18-R74 IonicContact OE1-NH2 3.8Å; E18-R74 PolarHBondContact OE1-NH2 2.99Å; E18-R74 IonicContact OE2-CZ 3.36Å; E18-R74 IonicContact OE2-NE 3.07Å; E18-R74 PolarHBondContact OE2-NE 2.96Å; E18-R74 IonicContact OE2-NH2 3.45Å; E18-R74 PolarHBondContact OE2-NH2 2.88Å; P19-R74 HydrophobicContact CG-CB 4.49Å; P19-R74 HydrophobicContact CG-CG 4.21Å; A70-R74 VanDerWaalsContact O-CB 3.27Å; A70-R74 WeakPolarHBondContact O-CB 3.36Å; A70-R74 PolarHBondContact O-N 2.91Å; A70-R74 VanDerWaalsContact O-N 3.08Å; A72-R74 VanDerWaalsContact C-N 3.34Å; A72-R74 PolarHBondContact O-N 3.49Å; R74-R78 PolarHBondContact O-NE 3.27Å; R74-R78 PolarHBondContact O-NH2 2.88Å
75V97.8Very high97.8Very high67 Ų6762.4 Ų62.441%0.40631%0.306SS..Hα-helixtrans-79.6-43.4172.61720000110.3Q71 A72 D73 R78 N79Q71-V75 WeakPolarHBondContact O-CG2 3.44Å; Q71-V75 PolarHBondContact O-N 3Å; A72-V75 CarbonylContact O-C 3.5Å; A72-V75 WeakPolarHBondContact O-CA 3.34Å; A72-V75 WeakPolarHBondContact O-CB 3.32Å; A72-V75 PolarHBondContact O-N 3.24Å; D73-V75 PolarHBondContact O-N 2.98Å; V75-R78 PolarHBondContact O-N 2.97Å; V75-N79 PolarHBondContact O-N 2.95Å; V75-N79 PolarHBondContact O-ND2 3.32Å
76S98.1Very high97.8Very high42 Ų4262 Ų6229%0.29431%0.306SS..Hα-helixtrans-57.7-49.5176.5-61.80000112.4A72 D73 R78 N79 L80 L94A72-S76 PolarHBondContact O-N 2.89Å; A72-S76 PolarHBondContact O-OG 2.85Å; D73-S76 PolarHBondContact O-N 3.02Å; S76-R78 VanDerWaalsContact C-N 3.26Å; S76-R78 PolarHBondContact O-N 3.43Å; S76-N79 WeakPolarHBondContact O-CB 3.46Å; S76-N79 PolarHBondContact O-N 2.93Å; S76-L80 WeakPolarHBondContact O-CB 3.37Å; S76-L80 WeakPolarHBondContact O-CD1 3.45Å; S76-L80 WeakPolarHBondContact O-CG 3.38Å; S76-L80 PolarHBondContact O-N 2.74Å; S76-L94 VanDerWaalsContact CB-CD2 3.47Å
77L98.4Very high97.7Very high7 Ų765 Ų654%0.03733%0.328CS..Hα-helixtrans-54.1-39.7176-77.1168.3000112.7A10 P19 D73 R81 H92 L94 Y117A10-L77 HydrophobicContact CB-CD1 3.91Å; P19-L77 HydrophobicContact CB-CD1 3.69Å; P19-L77 HydrophobicContact CG-CD1 3.86Å; D73-L77 WeakPolarHBondContact O-CB 3.39Å; D73-L77 WeakPolarHBondContact O-CG 3.46Å; D73-L77 PolarHBondContact O-N 3.39Å; L77-R81 VanDerWaalsContact O-CB 3.31Å; L77-R81 WeakPolarHBondContact O-CB 3.41Å; L77-R81 PolarHBondContact O-N 2.92Å; L77-R81 VanDerWaalsContact O-N 3.15Å; L77-H92 HydrophobicContact CD2-CB 4.32Å; L77-L94 HydrophobicContact CD2-CB 3.64Å; L77-L94 HydrophobicContact CG-CB 4.05Å; L77-L94 HydrophobicContact CG-CD2 4.48Å; L77-Y117 HydrophobicContact CD2-CE2 4.01Å
78R96.8Very high97.4Very high122 Ų12267.4 Ų67.446%0.4634%0.34SS..Hα-helixtrans-71.7-37.6176.7-75.3179.4-74.1166-2.2112.5R74 V75 S76 G82R74-R78 PolarHBondContact O-NE 3.27Å; R74-R78 PolarHBondContact O-NH2 2.88Å; V75-R78 PolarHBondContact O-N 2.97Å; S76-R78 VanDerWaalsContact C-N 3.26Å; S76-R78 PolarHBondContact O-N 3.43Å; R78-G82 PolarHBondContact O-N 2.96Å
79N97.6Very high97.1Very high71 Ų7166.2 Ų66.238%0.3835%0.346SS..Hα-helixtrans-67.2-46.8175.2-68.2-30.7000111.6V75 S76 G82 Y83V75-N79 PolarHBondContact O-N 2.95Å; V75-N79 PolarHBondContact O-ND2 3.32Å; S76-N79 WeakPolarHBondContact O-CB 3.46Å; S76-N79 PolarHBondContact O-N 2.93Å; N79-G82 CarbonylContact O-C 3.59Å; N79-G82 WeakPolarHBondContact O-CA 3.49Å; N79-G82 PolarHBondContact O-N 2.86Å; N79-G82 VanDerWaalsContact O-N 3.12Å; N79-Y83 HydrophobicContact CB-CE1 4.41Å; N79-Y83 VanDerWaalsContact O-CD1 3.3Å; N79-Y83 WeakPolarHBondContact O-CD1 3.3Å; N79-Y83 VanDerWaalsContact O-CG 3.32Å; N79-Y83 PolarHBondContact O-N 3.49Å
80L98.3Very high96.8Very high6 Ų664.7 Ų64.73%0.03135%0.345CS..Hα-helixtrans-59.3-53.2-179.4-70.4162.4000111S76 G82 Y83 Y84 L94 Y117 Y122S76-L80 WeakPolarHBondContact O-CB 3.37Å; S76-L80 WeakPolarHBondContact O-CD1 3.45Å; S76-L80 WeakPolarHBondContact O-CG 3.38Å; S76-L80 PolarHBondContact O-N 2.74Å; L80-G82 PolarHBondContact O-N 2.95Å; L80-G82 VanDerWaalsContact O-N 3.12Å; L80-Y83 PolarHBondContact O-N 2.91Å; L80-Y84 HydrophobicContact CD2-CE2 4.26Å; L80-Y84 VanDerWaalsContact O-CD2 3.27Å; L80-Y84 WeakPolarHBondContact O-CD2 3.31Å; L80-Y84 PolarHBondContact O-N 3.34Å; L80-L94 HydrophobicContact CD1-CD1 4Å; L80-L94 HydrophobicContact CD1-CD2 4.17Å; L80-L94 HydrophobicContact CD1-CG 4.49Å; L80-Y117 HydrophobicContact CB-CD1 4.25Å; L80-Y117 HydrophobicContact CB-CD2 4.27Å; L80-Y117 HydrophobicContact CB-CE1 3.83Å; L80-Y117 HydrophobicContact CB-CE2 3.89Å; L80-Y117 HydrophobicContact CB-CG 4.44Å; L80-Y117 HydrophobicContact CD1-CD2 3.67Å; L80-Y117 HydrophobicContact CD1-CE2 3.93Å; L80-Y117 HydrophobicContact CD1-CG 4.08Å; L80-Y117 HydrophobicContact CD2-CD1 4.46Å; L80-Y117 HydrophobicContact CD2-CG 4.41Å; L80-Y117 HydrophobicContact CG-CD2 4.44Å; L80-Y117 HydrophobicContact CG-CE2 4.49Å; L80-Y122 HydrophobicContact CD2-CD1 4.28Å; L80-Y122 HydrophobicContact CD2-CD2 3.96Å; L80-Y122 HydrophobicContact CD2-CE1 3.75Å; L80-Y122 HydrophobicContact CD2-CE2 3.36Å; L80-Y122 HydrophobicContact CD2-CG 4.38Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.45Å
81R97.3Very high96.8Very high62 Ų6267.5 Ų67.523%0.23436%0.363CS..Hα-helixtrans-51.7-37.5174-170.1-165.267.5170.49112.3L77 N85 Q86 E88L77-R81 VanDerWaalsContact O-CB 3.31Å; L77-R81 WeakPolarHBondContact O-CB 3.41Å; L77-R81 PolarHBondContact O-N 2.92Å; L77-R81 VanDerWaalsContact O-N 3.15Å; R81-N85 PolarHBondContact O-N 3.37Å; R81-Q86 HydrophobicContact CG-CB 3.78Å; R81-Q86 PolarHBondContact O-N 3.43Å; R81-E88 IonicContact CZ-OE1 2.75Å; R81-E88 IonicContact NH1-OE1 2.73Å; R81-E88 PolarHBondContact NH1-OE1 3.31Å; R81-E88 IonicContact NH2-OE1 3.1Å; R81-E88 PolarHBondContact NH2-OE1 2.93Å
82G97.3Very high96.8Very high43 Ų4363.2 Ų63.244%0.44334%0.343SS..Hα-helixtrans-69.2-46.6173.600000113.8R78 N79 L80 Y84 N85R78-G82 PolarHBondContact O-N 2.96Å; N79-G82 CarbonylContact O-C 3.59Å; N79-G82 WeakPolarHBondContact O-CA 3.49Å; N79-G82 PolarHBondContact O-N 2.86Å; N79-G82 VanDerWaalsContact O-N 3.12Å; L80-G82 PolarHBondContact O-N 2.95Å; L80-G82 VanDerWaalsContact O-N 3.12Å; G82-Y84 VanDerWaalsContact C-N 3.3Å; G82-Y84 PolarHBondContact O-N 3.37Å; G82-N85 PolarHBondContact O-N 3.39Å
83Y98Very high96.9Very high50 Ų5062.9 Ų62.920%0.19634%0.337CS..Hα-helixtrans-61.6-37.4178.4-59-17.1000112.4N79 L80 N85 A138 I141 K145N79-Y83 HydrophobicContact CB-CE1 4.41Å; N79-Y83 VanDerWaalsContact O-CD1 3.3Å; N79-Y83 WeakPolarHBondContact O-CD1 3.3Å; N79-Y83 VanDerWaalsContact O-CG 3.32Å; N79-Y83 PolarHBondContact O-N 3.49Å; L80-Y83 PolarHBondContact O-N 2.91Å; Y83-N85 PolarHBondContact O-ND2 3.24Å; Y83-A138 HydrophobicContact CD2-CB 4.34Å; Y83-I141 HydrophobicContact CD1-CD1 4.08Å; Y83-I141 HydrophobicContact CD2-CB 4.47Å; Y83-I141 HydrophobicContact CD2-CD1 4.43Å; Y83-I141 HydrophobicContact CE1-CD1 4.45Å; Y83-I141 HydrophobicContact CE1-CG2 3.94Å; Y83-I141 HydrophobicContact CE2-CB 4.12Å; Y83-I141 HydrophobicContact CE2-CG2 4.16Å; Y83-I141 HydrophobicContact CG-CD1 4.09Å; Y83-K145 PolarHBondContact OH-NZ 2.68Å
84Y97.9Very high96.9Very high70 Ų7063 Ų6328%0.27534%0.337SS..THydrogen-bonded Turntrans-88.20.5178.4-68.8-70.2000114.1L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.26Å; L80-Y84 VanDerWaalsContact O-CD2 3.27Å; L80-Y84 WeakPolarHBondContact O-CD2 3.31Å; L80-Y84 PolarHBondContact O-N 3.34Å; G82-Y84 VanDerWaalsContact C-N 3.3Å; G82-Y84 PolarHBondContact O-N 3.37Å; Y84-Q86 VanDerWaalsContact C-N 3.27Å; Y84-Q86 PolarHBondContact O-N 3Å; Y84-Y117 AromaticContact CD2-CD1 3.73Å; Y84-Y117 HydrophobicContact CD2-CD1 3.73Å; Y84-Y117 AromaticContact CD2-CE1 3.49Å; Y84-Y117 HydrophobicContact CD2-CE1 3.49Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.49Å; Y84-Y117 AromaticContact CE2-CD1 3.47Å; Y84-Y117 HydrophobicContact CE2-CD1 3.47Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.47Å; Y84-Y117 AromaticContact CE2-CE1 3.77Å; Y84-Y117 HydrophobicContact CE2-CE1 3.77Å; Y84-Y117 HydrophobicContact CG-CE1 4.46Å; Y84-Y122 HydrophobicContact CE2-CD2 4.3Å; Y84-Y122 HydrophobicContact CE2-CE2 4Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.28Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.4Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.31Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.36Å; Y84-D136 VanDerWaalsContact OH-CG 3.28Å; Y84-D136 PolarHBondContact OH-OD1 3.32Å; Y84-D136 PolarHBondContact OH-OD2 3Å; Y84-A138 HydrophobicContact CD1-CB 4.26Å; Y84-A138 HydrophobicContact CD2-CB 4.5Å; Y84-A138 HydrophobicContact CE1-CB 3.73Å; Y84-A138 HydrophobicContact CE2-CB 3.99Å
85N96.9Very high96.9Very high148 Ų14863.5 Ų63.579%0.79134%0.342SS*.THydrogen-bonded Turntrans54.837.8-178.7-53.6-85.6000113.8R81 G82 Y83R81-N85 PolarHBondContact O-N 3.37Å; G82-N85 PolarHBondContact O-N 3.39Å; Y83-N85 PolarHBondContact O-ND2 3.24Å
86Q97.3Very high97Very high61 Ų6162.3 Ų62.329%0.28533%0.331SS..  trans-84.9154.5-177.2-69.5162.9-48.500112.3R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.78Å; R81-Q86 PolarHBondContact O-N 3.43Å; Y84-Q86 VanDerWaalsContact C-N 3.27Å; Y84-Q86 PolarHBondContact O-N 3Å; Q86-H92 PolarHBondContact NE2-CE1 2.88Å; Q86-Y117 PolarHBondContact OE1-OH 3.44Å; Q86-D118 PolarHBondContact NE2-OD2 2.86Å
87S94.9Very high97Very high73 Ų7361.4 Ų61.451%0.5132%0.322SS..  trans-65.6152.4-179.5-171.70000113D89 G90S87-D89 VanDerWaalsContact C-N 3.26Å; S87-D89 PolarHBondContact O-N 3.37Å; S87-D89 PolarHBondContact OG-N 3.03Å; S87-D89 PolarHBondContact OG-OD2 3.09Å; S87-G90 PolarHBondContact O-N 2.93Å
88E91.9Very high97Very high130 Ų13061.3 Ų61.361%0.60732%0.322SS*.THydrogen-bonded Turntrans-66.7-26.9173.5-61.7-137.195.700113.5P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.43Å; P14-E88 WeakPolarHBondContact CG-O 3.5Å; R81-E88 IonicContact CZ-OE1 2.75Å; R81-E88 IonicContact NH1-OE1 2.73Å; R81-E88 PolarHBondContact NH1-OE1 3.31Å; R81-E88 IonicContact NH2-OE1 3.1Å; R81-E88 PolarHBondContact NH2-OE1 2.93Å; E88-G90 PolarHBondContact O-N 3.49Å
89D91.8Very high97.1Very high139 Ų13955.5 Ų55.574%0.74330%0.3SS*.THydrogen-bonded Turntrans-75.6-6.1178.2-53.6-59.3000113.3S87S87-D89 VanDerWaalsContact C-N 3.26Å; S87-D89 PolarHBondContact O-N 3.37Å; S87-D89 PolarHBondContact OG-N 3.03Å; S87-D89 PolarHBondContact OG-OD2 3.09Å
90G93.5Very high97.1Very high20 Ų2052.1 Ų52.121%0.20628%0.282CS..  trans-71.5125.1-179.500000113.6S12 P14 S87 E88 H92S12-G90 PolarHBondContact OG-O 3.01Å; P14-G90 VanDerWaalsContact CG-O 3.23Å; P14-G90 WeakPolarHBondContact CG-O 3.38Å; S87-G90 PolarHBondContact O-N 2.93Å; E88-G90 PolarHBondContact O-N 3.49Å; G90-H92 PolarHBondContact O-CD2 3.4Å
91S97.4Very high97.1Very high81 Ų8153.1 Ų53.157%0.56629%0.287SS*.  trans-77.6121.2161.4-172.60000108.4S12S12-S91 PolarHBondContact O-OG 3.36Å; S12-S91 VanDerWaalsContact O-OG 3.06Å
92H98.4Very high97.2Very high15 Ų1550.4 Ų50.47%0.06928%0.277CS..  trans-128149.8-175.5-66.7-72.8000110.9V11 S12 L77 Q86 G90 Y117 D118V11-H92 CarbonylContact C-O 3.59Å; V11-H92 WeakPolarHBondContact CA-O 3.38Å; S12-H92 PolarHBondContact N-O 3.23Å; S12-H92 PolarHBondContact OG-N 3.4Å; S12-H92 PolarHBondContact OG-O 3.09Å; L77-H92 HydrophobicContact CD2-CB 4.32Å; Q86-H92 PolarHBondContact NE2-CE1 2.88Å; G90-H92 PolarHBondContact O-CD2 3.4Å; H92-Y117 HydrophobicContact CB-CE2 3.87Å; H92-Y117 WeakPolarHBondContact CB-OH 3.45Å; H92-Y117 VanDerWaalsContact CG-OH 3.28Å; H92-Y117 AromaticContact ND1-CZ 3.99Å; H92-Y117 PolarHBondContact ND1-OH 3.01Å; H92-D118 WeakPolarHBondContact CA-OD1 3.01Å; H92-D118 WeakPolarHBondContact CB-OD1 3.41Å; H92-D118 IonicContact CE1-OD2 3.69Å; H92-D118 IonicContact CG-OD1 3.15Å; H92-D118 IonicContact CG-OD2 3.82Å; H92-D118 IonicContact ND1-OD1 3.19Å; H92-D118 PolarHBondContact ND1-OD1 3.03Å; H92-D118 IonicContact ND1-OD2 2.74Å; H92-D118 PolarHBondContact ND1-OD2 2.87Å
93T98.8Very high97.1Very high38 Ų3848.9 Ų48.923%0.23326%0.261CS..EExtended strand (participates in β ladder)trans-124124-175.3-56.30000110.7T9 A10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 4.2Å; A10-T93 WeakPolarHBondContact O-CA 3.44Å; V11-T93 HydrophobicContact CG2-CG2 4.13Å; T93-Q95 HydrophobicContact CG2-CG 3.88Å; T93-Y117 CarbonylContact O-C 3.59Å; T93-Y117 WeakPolarHBondContact O-CA 3.46Å; T93-Y117 VanDerWaalsContact O-CD2 3.28Å; T93-Y117 WeakPolarHBondContact O-CD2 3.19Å; T93-D118 PolarHBondContact N-OD1 2.92Å; T93-D118 PolarHBondContact O-N 3.13Å
94L98.8Very high96.8Very high8 Ų852.9 Ų52.94%0.04229%0.293CS..EExtended strand (participates in β ladder)trans-109128.3169.4172.561.1000108.1T9 A10 D73 S76 L77 L80T9-L94 WeakPolarHBondContact CA-O 3.38Å; A10-L94 PolarHBondContact N-O 2.82Å; A10-L94 PolarHBondContact O-N 3.24Å; D73-L94 HydrophobicContact CB-CD2 4.06Å; S76-L94 VanDerWaalsContact CB-CD2 3.47Å; L77-L94 HydrophobicContact CD2-CB 3.64Å; L77-L94 HydrophobicContact CG-CB 4.05Å; L77-L94 HydrophobicContact CG-CD2 4.48Å; L80-L94 HydrophobicContact CD1-CD1 4Å; L80-L94 HydrophobicContact CD1-CD2 4.17Å; L80-L94 HydrophobicContact CD1-CG 4.49Å
95Q98.8Very high96.6Very high80 Ų8054.1 Ų54.137%0.37431%0.305SS..EExtended strand (participates in β ladder)trans-122.9146.7176.2-56.8178-97.200109D8 T9 T93 S115 A116D8-Q95 WeakPolarHBondContact O-CA 3.3Å; T9-Q95 HydrophobicContact CG2-CG 4.16Å; T93-Q95 HydrophobicContact CG2-CG 3.88Å; Q95-S115 CarbonylContact O-C 3.54Å; Q95-S115 WeakPolarHBondContact O-CA 3.28Å; Q95-A116 HydrophobicContact CB-CB 4.5Å; Q95-A116 PolarHBondContact N-O 3.44Å; Q95-A116 PolarHBondContact O-N 2.83Å
96R98.6Very high96.4Very high43 Ų4348 Ų4816%0.16228%0.277CS..EExtended strand (participates in β ladder)trans-138.7133.2172.7171.6175.7165.9-87.1-1.8110.1F7 D8 S98 D113 Q114F7-R96 WeakPolarHBondContact CA-O 3.19Å; D8-R96 HydrophobicContact CB-CB 4.2Å; D8-R96 PolarHBondContact N-O 3.39Å; D8-R96 PolarHBondContact O-N 2.97Å; D8-R96 IonicContact OD2-CZ 3.14Å; D8-R96 IonicContact OD2-NH1 2.68Å; D8-R96 PolarHBondContact OD2-NH1 3.42Å; R96-S98 PolarHBondContact NH1-OG 2.95Å; R96-S98 VanDerWaalsContact NH2-CB 3.3Å; R96-S98 PolarHBondContact NH2-OG 3.1Å; R96-D113 IonicContact CZ-OD1 2.76Å; R96-D113 VanDerWaalsContact CZ-OD1 3.26Å; R96-D113 IonicContact NE-OD1 3.58Å; R96-D113 PolarHBondContact NE-OD1 3.25Å; R96-D113 IonicContact NE-OD2 3.61Å; R96-D113 PolarHBondContact NE-OD2 2.92Å; R96-D113 IonicContact NH2-OD1 3.55Å; R96-D113 PolarHBondContact NH2-OD1 3.41Å; R96-Q114 CarbonylContact C-O 3.6Å; R96-Q114 VanDerWaalsContact CA-O 3.3Å; R96-Q114 WeakPolarHBondContact CA-O 3.37Å
97M98.6Very high96.3Very high23 Ų2353 Ų5311%0.11329%0.293CS..EExtended strand (participates in β ladder)trans-111.3128.2169.1-168.7-77.9-69.500108.1R5 Y6 F7 Y112 Q114R5-M97 HydrophobicContact CB-SD 4.47Å; Y6-M97 WeakPolarHBondContact O-CA 3.22Å; F7-M97 HydrophobicContact CD1-CB 4.1Å; F7-M97 HydrophobicContact CD1-CG 3.63Å; F7-M97 HydrophobicContact CE1-CB 4.26Å; F7-M97 HydrophobicContact CE1-CG 3.4Å; F7-M97 VanDerWaalsContact CE1-CG 3.4Å; F7-M97 HydrophobicContact CG-CG 4.46Å; F7-M97 HydrophobicContact CZ-CG 4.07Å; M97-Y112 HydrophobicContact CE-CD1 3.71Å; M97-Y112 HydrophobicContact CE-CE1 4.45Å; M97-Y112 HydrophobicContact CE-CG 3.83Å; M97-Q114 HydrophobicContact CB-CG 4.08Å; M97-Q114 HydrophobicContact CE-CG 4.06Å; M97-Q114 PolarHBondContact N-O 3.3Å; M97-Q114 PolarHBondContact O-N 2.79Å
98S98.1Very high96.4Very high5 Ų552 Ų524%0.03528%0.282CS..EExtended strand (participates in β ladder)trans-141.5147.6173.962.20000111.1Y6 R96 Y112Y6-S98 PolarHBondContact N-O 2.88Å; Y6-S98 PolarHBondContact O-N 3.03Å; R96-S98 PolarHBondContact NH1-OG 2.95Å; R96-S98 VanDerWaalsContact NH2-CB 3.3Å; R96-S98 PolarHBondContact NH2-OG 3.1Å; S98-Y112 VanDerWaalsContact CA-O 3.24Å; S98-Y112 WeakPolarHBondContact CA-O 3.46Å
99G98.3Very high96.7Very high0 Ų052 Ų520%029%0.285CS..EExtended strand (participates in β ladder)trans164.9-178.6-173.200000114.7M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.47Å; M4-G99 WeakPolarHBondContact O-CA 3.35Å; G99-G111 CarbonylContact O-C 3.58Å; G99-Y112 PolarHBondContact N-O 3.13Å; G99-Y112 PolarHBondContact O-N 3.22Å; G99-L159 WeakPolarHBondContact O-CD2 3.48Å
100C98.6Very high97Very high0 Ų049.7 Ų49.70%027%0.266CS..EExtended strand (participates in β ladder)trans-139.8148.7-177.754.20000111.6S3 M4 L108 R110 C163S3-C100 CarbonylContact C-O 3.38Å; S3-C100 WeakPolarHBondContact CA-O 3.13Å; M4-C100 PolarHBondContact N-O 3.27Å; M4-C100 PolarHBondContact O-N 3.49Å; C100-L108 HydrophobicContact CB-CD1 3.55Å; C100-R110 WeakPolarHBondContact CA-O 3.31Å; C100-C163 HydrophobicContact CB-CB 3.87Å; C100-C163 WeakPolarHBondContact CB-SG 3.37Å; C100-C163 PolarHBondContact N-SG 2.88Å; C100-C163 VanDerWaalsContact N-SG 3.35Å; C100-C163 WeakPolarHBondContact SG-CB 3.49Å; C100-C163 CovalentContact SG-SG 2.03Å; C100-C163 PolarHBondContact SG-SG 2.75Å
101D98.4Very high97.2Very high27 Ų2749 Ų4914%0.14426%0.259CS..EExtended strand (participates in β ladder)trans-115.7141.1175.3-62.3-1.3000109.7H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.59Å; H2-D101 WeakPolarHBondContact O-CA 3.39Å; S3-D101 WeakPolarHBondContact CB-OD1 3.28Å; R5-D101 IonicContact CZ-OD1 3.9Å; R5-D101 VanDerWaalsContact CZ-OD1 3.23Å; R5-D101 IonicContact CZ-OD2 2.76Å; R5-D101 IonicContact NE-OD1 3.71Å; R5-D101 PolarHBondContact NE-OD1 2.73Å; R5-D101 IonicContact NH2-OD1 2.73Å; R5-D101 PolarHBondContact NH2-OD1 2.86Å; R5-D101 IonicContact NH2-OD2 2.78Å; R5-D101 PolarHBondContact NH2-OD2 3.34Å; D101-L109 PolarHBondContact O-N 3.27Å; D101-R110 PolarHBondContact N-O 3.14Å; D101-R110 PolarHBondContact O-N 2.96Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.37Å; D101-Y112 PolarHBondContact OD2-OH 2.6Å
102L98.1Very high97.2Very high4 Ų447 Ų472%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-112.8135.5178.3-53.9-178000111.7S1 H2 R107 V164 L167 R168S1-L102 WeakPolarHBondContact CB-O 3.23Å; H2-L102 PolarHBondContact N-O 3.49Å; H2-L102 PolarHBondContact O-N 2.67Å; L102-R107 CarbonylContact C-O 3.59Å; L102-R107 WeakPolarHBondContact CA-O 3.45Å; L102-V164 HydrophobicContact CD2-CB 4.25Å; L102-V164 HydrophobicContact CD2-CG1 3.84Å; L102-V164 HydrophobicContact CD2-CG2 3.92Å; L102-L167 HydrophobicContact CD1-CB 4.36Å; L102-L167 HydrophobicContact CD1-CD2 3.69Å; L102-L167 HydrophobicContact CD1-CG 3.75Å; L102-L167 HydrophobicContact CD2-CD2 4.48Å; L102-L167 HydrophobicContact CG-CD2 3.6Å; L102-L167 HydrophobicContact CG-CG 4.25Å; L102-R168 HydrophobicContact CD1-CG 4Å
103G96.1Very high97.2Very high11 Ų1146.8 Ų46.811%0.11324%0.239CC..  trans-66.7170.916700000112.2D105 G106 R107G103-D105 PolarHBondContact O-N 3.02Å; G103-D105 VanDerWaalsContact O-N 3.13Å; G103-G106 WeakPolarHBondContact O-CA 3.1Å; G103-G106 PolarHBondContact O-N 3.34Å; G103-R107 PolarHBondContact N-O 3.26Å
104P92.6Very high97.2Very high134 Ų13448.3 Ų48.387%0.8724%0.243SC*.THydrogen-bonded Turntrans-60.2-18.8175.8-24.135.2000114.7
105D93.2Very high97.2Very high96 Ų9649 Ų4951%0.51325%0.248SC..THydrogen-bonded Turntrans-844.6172.174.3-17.4000113.5G103 R107G103-D105 PolarHBondContact O-N 3.02Å; G103-D105 VanDerWaalsContact O-N 3.13Å; D105-R107 PolarHBondContact O-N 3.38Å; D105-R107 WeakPolarHBondContact OD1-CB 3.46Å; D105-R107 PolarHBondContact OD1-N 3.45Å; D105-R107 WeakPolarHBondContact OD2-CD 3.48Å; D105-R107 VanDerWaalsContact OD2-CG 3.31Å; D105-R107 WeakPolarHBondContact OD2-CG 3.38Å; D105-R107 IonicContact OD2-CZ 2.62Å; D105-R107 IonicContact OD2-NE 3.49Å; D105-R107 PolarHBondContact OD2-NE 2.94Å; D105-R107 IonicContact OD2-NH1 3.17Å; D105-R107 PolarHBondContact OD2-NH1 2.93Å
106G92Very high97.2Very high20 Ų2046 Ų4621%0.20624%0.237CC..SBendtrans70.510.9-179.400000114.6G103 R168G103-G106 WeakPolarHBondContact O-CA 3.1Å; G103-G106 PolarHBondContact O-N 3.34Å; G106-R168 VanDerWaalsContact O-CZ 3.29Å; G106-R168 PolarHBondContact O-NE 3.44Å; G106-R168 PolarHBondContact O-NH2 3.05Å
107R95.6Very high97.2Very high166 Ų16644.5 Ų44.563%0.62623%0.232SC*.SBendtrans-89.7155.9175.7-61.4-173-174.9129.8-9.8111.5L102 G103 D105 L109L102-R107 CarbonylContact C-O 3.59Å; L102-R107 WeakPolarHBondContact CA-O 3.45Å; G103-R107 PolarHBondContact N-O 3.26Å; D105-R107 PolarHBondContact O-N 3.38Å; D105-R107 WeakPolarHBondContact OD1-CB 3.46Å; D105-R107 PolarHBondContact OD1-N 3.45Å; D105-R107 WeakPolarHBondContact OD2-CD 3.48Å; D105-R107 VanDerWaalsContact OD2-CG 3.31Å; D105-R107 WeakPolarHBondContact OD2-CG 3.38Å; D105-R107 IonicContact OD2-CZ 2.62Å; D105-R107 IonicContact OD2-NE 3.49Å; D105-R107 PolarHBondContact OD2-NE 2.94Å; D105-R107 IonicContact OD2-NH1 3.17Å; D105-R107 PolarHBondContact OD2-NH1 2.93Å; R107-L109 PolarHBondContact O-N 2.78Å; R107-L109 VanDerWaalsContact O-N 3.16Å
108L97.6Very high97.2Very high53 Ų5346.4 Ų46.428%0.27724%0.242SC..EExtended strand (participates in β ladder)trans-57.5118.9174.2-174.173.8000110.1C100 R110 L129 E160 V164C100-L108 HydrophobicContact CB-CD1 3.55Å; L108-R110 VanDerWaalsContact CD1-O 3.28Å; L108-R110 WeakPolarHBondContact CD1-O 3.4Å; L108-L129 HydrophobicContact CD2-CD1 4.14Å; L108-E160 HydrophobicContact CD2-CB 4.47Å; L108-E160 HydrophobicContact CD2-CG 3.76Å; L108-V164 HydrophobicContact CB-CG2 4.03Å; L108-V164 HydrophobicContact CD1-CG2 4.06Å
109L97.3Very high97.2Very high128 Ų12849 Ų4967%0.6727%0.271SS*.EExtended strand (participates in β ladder)trans-90-42.7169.9179.763000110.5D101 R107D101-L109 PolarHBondContact O-N 3.27Å; R107-L109 PolarHBondContact O-N 2.78Å; R107-L109 VanDerWaalsContact O-N 3.16Å
110R97.4Very high97.2Very high92 Ų9256.8 Ų56.835%0.34730%0.304SS..EExtended strand (participates in β ladder)trans-156.4144.1-178-171.5163.1173.8134.77.6111.6C100 D101 L108 Y112 E127C100-R110 WeakPolarHBondContact CA-O 3.31Å; D101-R110 PolarHBondContact N-O 3.14Å; D101-R110 PolarHBondContact O-N 2.96Å; L108-R110 VanDerWaalsContact CD1-O 3.28Å; L108-R110 WeakPolarHBondContact CD1-O 3.4Å; R110-Y112 HydrophobicContact CB-CE2 4.08Å; R110-Y112 VanDerWaalsContact CD-OH 3.31Å; R110-Y112 WeakPolarHBondContact CD-OH 3.26Å; R110-Y112 HydrophobicContact CG-CD2 4.32Å; R110-Y112 HydrophobicContact CG-CE1 4.33Å; R110-Y112 HydrophobicContact CG-CE2 3.72Å; R110-Y112 PolarHBondContact NE-OH 2.84Å; R110-E127 IonicContact CZ-OE1 2.77Å; R110-E127 IonicContact CZ-OE2 2.73Å; R110-E127 IonicContact NH1-OE1 3.93Å; R110-E127 PolarHBondContact NH1-OE1 2.94Å; R110-E127 IonicContact NH1-OE2 3.69Å; R110-E127 PolarHBondContact NH1-OE2 3.16Å; R110-E127 VanDerWaalsContact NH2-CD 3.29Å; R110-E127 VanDerWaalsContact NH2-CG 3.34Å; R110-E127 IonicContact NH2-OE1 3.66Å; R110-E127 PolarHBondContact NH2-OE1 2.79Å
111G98.1Very high97.2Very high5 Ų562.5 Ų62.55%0.05234%0.335CS..EExtended strand (participates in β ladder)trans-113.8155168.900000111.2G99G99-G111 CarbonylContact O-C 3.58Å
112Y98.2Very high97.2Very high39 Ų3961.7 Ų61.715%0.15333%0.33CS..EExtended strand (participates in β ladder)trans-136.9136.1-177.5-59.6-97.7000111.1R5 M97 S98 G99 D101 R110R5-Y112 VanDerWaalsContact NH2-CE2 3.3Å; R5-Y112 PolarHBondContact NH2-OH 2.81Å; M97-Y112 HydrophobicContact CE-CD1 3.71Å; M97-Y112 HydrophobicContact CE-CE1 4.45Å; M97-Y112 HydrophobicContact CE-CG 3.83Å; S98-Y112 VanDerWaalsContact CA-O 3.24Å; S98-Y112 WeakPolarHBondContact CA-O 3.46Å; G99-Y112 PolarHBondContact N-O 3.13Å; G99-Y112 PolarHBondContact O-N 3.22Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.37Å; D101-Y112 PolarHBondContact OD2-OH 2.6Å; R110-Y112 HydrophobicContact CB-CE2 4.08Å; R110-Y112 VanDerWaalsContact CD-OH 3.31Å; R110-Y112 WeakPolarHBondContact CD-OH 3.26Å; R110-Y112 HydrophobicContact CG-CD2 4.32Å; R110-Y112 HydrophobicContact CG-CE1 4.33Å; R110-Y112 HydrophobicContact CG-CE2 3.72Å; R110-Y112 PolarHBondContact NE-OH 2.84Å
113D98.4Very high97.2Very high11 Ų1162 Ų626%0.05933%0.332CS..EExtended strand (participates in β ladder)trans-146111.4156.6-165.7109000107.5R96 L125 L155R96-D113 IonicContact CZ-OD1 2.76Å; R96-D113 VanDerWaalsContact CZ-OD1 3.26Å; R96-D113 IonicContact NE-OD1 3.58Å; R96-D113 PolarHBondContact NE-OD1 3.25Å; R96-D113 IonicContact NE-OD2 3.61Å; R96-D113 PolarHBondContact NE-OD2 2.92Å; R96-D113 IonicContact NH2-OD1 3.55Å; R96-D113 PolarHBondContact NH2-OD1 3.41Å; D113-L125 HydrophobicContact CB-CB 4.05Å; D113-L125 HydrophobicContact CB-CD2 4.2Å; D113-L125 WeakPolarHBondContact O-CB 3.36Å; D113-L125 PolarHBondContact O-N 3.16Å; D113-L155 HydrophobicContact CB-CD1 4.15Å; D113-L155 WeakPolarHBondContact OD1-CD2 3.37Å
114Q98.6Very high97.4Very high70 Ų7062.9 Ų62.933%0.32734%0.338SS..EExtended strand (participates in β ladder)trans-142.5140.5-177.963.4-170.679.400110.8R96 M97 I123 A124R96-Q114 CarbonylContact C-O 3.6Å; R96-Q114 VanDerWaalsContact CA-O 3.3Å; R96-Q114 WeakPolarHBondContact CA-O 3.37Å; M97-Q114 HydrophobicContact CB-CG 4.08Å; M97-Q114 HydrophobicContact CE-CG 4.06Å; M97-Q114 PolarHBondContact N-O 3.3Å; M97-Q114 PolarHBondContact O-N 2.79Å; Q114-I123 CarbonylContact C-O 3.57Å; Q114-I123 WeakPolarHBondContact CA-O 3.26Å; Q114-A124 HydrophobicContact CB-CB 3.82Å
115S98.7Very high97.7Very high21 Ų2157.1 Ų57.115%0.14730%0.3CS..EExtended strand (participates in β ladder)trans-125.2143.6-178.8-57.40000111.5Q95 Y122 I123Q95-S115 CarbonylContact O-C 3.54Å; Q95-S115 WeakPolarHBondContact O-CA 3.28Å; S115-Y122 WeakPolarHBondContact O-CA 3.39Å; S115-Y122 WeakPolarHBondContact O-CB 3.45Å; S115-Y122 PolarHBondContact O-N 3.13Å; S115-I123 PolarHBondContact N-O 3.38Å; S115-I123 PolarHBondContact O-N 3.23Å; S115-I123 VanDerWaalsContact O-N 3.15Å
116A98.8Very high97.9Very high18 Ų1854.6 Ų54.615%0.14929%0.286CS..EExtended strand (participates in β ladder)trans-124145.6177.300000110.4Q95 K120Q95-A116 HydrophobicContact CB-CB 4.5Å; Q95-A116 PolarHBondContact N-O 3.44Å; Q95-A116 PolarHBondContact O-N 2.83Å; A116-K120 CarbonylContact C-O 3.49Å; A116-K120 WeakPolarHBondContact CA-O 3.47Å; A116-K120 VanDerWaalsContact CB-O 3.23Å; A116-K120 WeakPolarHBondContact CB-O 3.28Å
117Y98.8Very high98.2Very high11 Ų1160.2 Ų60.24%0.04331%0.307CS..EExtended strand (participates in β ladder)trans-126.5131.5178.8-173.2-124.1000110.7L77 L80 Y84 Q86 H92 T93 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.01Å; L80-Y117 HydrophobicContact CB-CD1 4.25Å; L80-Y117 HydrophobicContact CB-CD2 4.27Å; L80-Y117 HydrophobicContact CB-CE1 3.83Å; L80-Y117 HydrophobicContact CB-CE2 3.89Å; L80-Y117 HydrophobicContact CB-CG 4.44Å; L80-Y117 HydrophobicContact CD1-CD2 3.67Å; L80-Y117 HydrophobicContact CD1-CE2 3.93Å; L80-Y117 HydrophobicContact CD1-CG 4.08Å; L80-Y117 HydrophobicContact CD2-CD1 4.46Å; L80-Y117 HydrophobicContact CD2-CG 4.41Å; L80-Y117 HydrophobicContact CG-CD2 4.44Å; L80-Y117 HydrophobicContact CG-CE2 4.49Å; Y84-Y117 AromaticContact CD2-CD1 3.73Å; Y84-Y117 HydrophobicContact CD2-CD1 3.73Å; Y84-Y117 AromaticContact CD2-CE1 3.49Å; Y84-Y117 HydrophobicContact CD2-CE1 3.49Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.49Å; Y84-Y117 AromaticContact CE2-CD1 3.47Å; Y84-Y117 HydrophobicContact CE2-CD1 3.47Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.47Å; Y84-Y117 AromaticContact CE2-CE1 3.77Å; Y84-Y117 HydrophobicContact CE2-CE1 3.77Å; Y84-Y117 HydrophobicContact CG-CE1 4.46Å; Q86-Y117 PolarHBondContact OE1-OH 3.44Å; H92-Y117 HydrophobicContact CB-CE2 3.87Å; H92-Y117 WeakPolarHBondContact CB-OH 3.45Å; H92-Y117 VanDerWaalsContact CG-OH 3.28Å; H92-Y117 AromaticContact ND1-CZ 3.99Å; H92-Y117 PolarHBondContact ND1-OH 3.01Å; T93-Y117 CarbonylContact O-C 3.59Å; T93-Y117 WeakPolarHBondContact O-CA 3.46Å; T93-Y117 VanDerWaalsContact O-CD2 3.28Å; T93-Y117 WeakPolarHBondContact O-CD2 3.19Å; Y117-G119 PolarHBondContact O-N 3.33Å; Y117-G119 VanDerWaalsContact O-N 3.13Å; Y117-K120 PolarHBondContact N-O 3.22Å; Y117-K120 PolarHBondContact O-N 3.21Å
118D98.4Very high98.3Very high63 Ų6355.8 Ų55.834%0.33730%0.296SS..THydrogen-bonded Turntrans45.940.8-174.5-65.4-21.3000113.3Q86 H92 T93Q86-D118 PolarHBondContact NE2-OD2 2.86Å; H92-D118 WeakPolarHBondContact CA-OD1 3.01Å; H92-D118 WeakPolarHBondContact CB-OD1 3.41Å; H92-D118 IonicContact CE1-OD2 3.69Å; H92-D118 IonicContact CG-OD1 3.15Å; H92-D118 IonicContact CG-OD2 3.82Å; H92-D118 IonicContact ND1-OD1 3.19Å; H92-D118 PolarHBondContact ND1-OD1 3.03Å; H92-D118 IonicContact ND1-OD2 2.74Å; H92-D118 PolarHBondContact ND1-OD2 2.87Å; T93-D118 PolarHBondContact N-OD1 2.92Å; T93-D118 PolarHBondContact O-N 3.13Å
119G97.7Very high98.3Very high61 Ų6153.7 Ų53.763%0.62929%0.285SS*.THydrogen-bonded Turntrans79.612.5177.800000115.7Y117Y117-G119 PolarHBondContact O-N 3.33Å; Y117-G119 VanDerWaalsContact O-N 3.13Å
120K98.6Very high98.3Very high162 Ų16255.2 Ų55.270%0.70428%0.282SS*.EExtended strand (participates in β ladder)trans-123.4147178.3-61.1176.3-176.1174.70111A116 Y117 Y122A116-K120 CarbonylContact C-O 3.49Å; A116-K120 WeakPolarHBondContact CA-O 3.47Å; A116-K120 VanDerWaalsContact CB-O 3.23Å; A116-K120 WeakPolarHBondContact CB-O 3.28Å; Y117-K120 PolarHBondContact N-O 3.22Å; Y117-K120 PolarHBondContact O-N 3.21Å; K120-Y122 PolarHBondContact O-N 2.65Å
121D98.7Very high98.3Very high121 Ų12152.9 Ų52.965%0.64728%0.279SS*.EExtended strand (participates in β ladder)trans-54.6135.6173.1-65.1-52000111.2A135D121-A135 WeakPolarHBondContact O-CB 3.28Å
122Y98.8Very high98.4Very high9 Ų953.4 Ų53.44%0.03528%0.279CS..EExtended strand (participates in β ladder)trans-115-59.7179.2178.7-104.2000110.4L80 Y84 S115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.28Å; L80-Y122 HydrophobicContact CD2-CD2 3.96Å; L80-Y122 HydrophobicContact CD2-CE1 3.75Å; L80-Y122 HydrophobicContact CD2-CE2 3.36Å; L80-Y122 HydrophobicContact CD2-CG 4.38Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.45Å; Y84-Y122 HydrophobicContact CE2-CD2 4.3Å; Y84-Y122 HydrophobicContact CE2-CE2 4Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.28Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.4Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.31Å; S115-Y122 WeakPolarHBondContact O-CA 3.39Å; S115-Y122 WeakPolarHBondContact O-CB 3.45Å; S115-Y122 PolarHBondContact O-N 3.13Å; K120-Y122 PolarHBondContact O-N 2.65Å; Y122-A135 WeakPolarHBondContact O-CB 3.33Å; Y122-A135 PolarHBondContact O-N 2.82Å; Y122-A138 HydrophobicContact CE2-CB 4.41Å; Y122-A138 PolarHBondContact OH-O 2.88Å; Y122-A139 HydrophobicContact CD2-CB 3.91Å; Y122-A139 HydrophobicContact CE1-CB 4.41Å; Y122-A139 HydrophobicContact CE2-CB 3.77Å; Y122-A139 HydrophobicContact CG-CB 4.3Å; Y122-A139 VanDerWaalsContact CZ-CA 3.47Å; Y122-A139 WeakPolarHBondContact O-CB 3.31Å; Y122-T142 HydrophobicContact CE1-CG2 4.16Å; Y122-T142 PolarHBondContact OH-OG1 3.41Å
123I98.8Very high98.4Very high11 Ų1155.3 Ų55.36%0.05630%0.296CS..EExtended strand (participates in β ladder)trans-150.6142179-159.4171.6000111.3Q114 S115 W132 T133 A134 T142 Q143 L146Q114-I123 CarbonylContact C-O 3.57Å; Q114-I123 WeakPolarHBondContact CA-O 3.26Å; S115-I123 PolarHBondContact N-O 3.38Å; S115-I123 PolarHBondContact O-N 3.23Å; S115-I123 VanDerWaalsContact O-N 3.15Å; I123-W132 HydrophobicContact CD1-CB 4.39Å; I123-W132 HydrophobicContact CD1-CD2 4.49Å; I123-W132 HydrophobicContact CD1-CE3 4.17Å; I123-W132 HydrophobicContact CG1-CB 4.46Å; I123-W132 HydrophobicContact CG1-CE3 4.05Å; I123-T133 WeakPolarHBondContact CA-O 3.43Å; I123-T133 WeakPolarHBondContact CG1-O 3.3Å; I123-A134 HydrophobicContact CG1-CB 4.49Å; I123-T142 HydrophobicContact CD1-CG2 4Å; I123-Q143 HydrophobicContact CD1-CB 3.92Å; I123-L146 HydrophobicContact CD1-CD1 3.89Å
124A98.8Very high98.4Very high29 Ų2955.9 Ų55.924%0.2430%0.302CS..EExtended strand (participates in β ladder)trans-133.1141.5176.800000111.6Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.82Å; A124-W132 CarbonylContact O-C 3.49Å; A124-W132 WeakPolarHBondContact O-CA 3.48Å; A124-T133 PolarHBondContact N-O 2.82Å; A124-T133 PolarHBondContact O-N 3.22Å
125L98.8Very high98.4Very high14 Ų1455.5 Ų55.57%0.07331%0.311CS..EExtended strand (participates in β ladder)trans-72.9129.6165.8-176.468.3000108.4D113 L129 W132 A152 L155 L159D113-L125 HydrophobicContact CB-CB 4.05Å; D113-L125 HydrophobicContact CB-CD2 4.2Å; D113-L125 WeakPolarHBondContact O-CB 3.36Å; D113-L125 PolarHBondContact O-N 3.16Å; L125-L129 HydrophobicContact CD2-CD2 3.8Å; L125-L129 HydrophobicContact CG-CD2 4.31Å; L125-W132 HydrophobicContact CB-CE3 4.1Å; L125-W132 HydrophobicContact CB-CH2 4.19Å; L125-W132 HydrophobicContact CB-CZ3 3.8Å; L125-W132 HydrophobicContact CD1-CD2 4.26Å; L125-W132 HydrophobicContact CD1-CE3 4.41Å; L125-W132 HydrophobicContact CD1-CH2 4.13Å; L125-W132 HydrophobicContact CD1-CZ2 3.94Å; L125-W132 HydrophobicContact CD1-CZ3 4.35Å; L125-A152 HydrophobicContact CD1-CB 3.85Å; L125-L155 HydrophobicContact CD2-CB 4.21Å; L125-L159 HydrophobicContact CD2-CD1 3.93Å
126N98.6Very high98.4Very high43 Ų4357 Ų5723%0.2332%0.317CS..  trans-76.3165.9-178.1-66.4-23.9000111.8D128 L129 S131 W132 T133N126-D128 PolarHBondContact O-N 2.86Å; N126-D128 VanDerWaalsContact O-N 3.08Å; N126-L129 WeakPolarHBondContact O-CA 3.34Å; N126-L129 PolarHBondContact O-N 3.08Å; N126-S131 WeakPolarHBondContact CB-O 3.38Å; N126-S131 PolarHBondContact N-O 3.32Å; N126-S131 PolarHBondContact ND2-OG 2.81Å; N126-W132 PolarHBondContact ND2-N 3.13Å; N126-T133 WeakPolarHBondContact OD1-CB 3.47Å; N126-T133 PolarHBondContact OD1-N 2.8Å; N126-T133 PolarHBondContact OD1-OG1 2.79Å
127E97.4Very high98.3Very high137 Ų13761.5 Ų61.564%0.6434%0.342SS*.THydrogen-bonded Turntrans-62.2-17.8-177.6-59.7-177.7-160.700114R110 L129R110-E127 IonicContact CZ-OE1 2.77Å; R110-E127 IonicContact CZ-OE2 2.73Å; R110-E127 IonicContact NH1-OE1 3.93Å; R110-E127 PolarHBondContact NH1-OE1 2.94Å; R110-E127 IonicContact NH1-OE2 3.69Å; R110-E127 PolarHBondContact NH1-OE2 3.16Å; R110-E127 VanDerWaalsContact NH2-CD 3.29Å; R110-E127 VanDerWaalsContact NH2-CG 3.34Å; R110-E127 IonicContact NH2-OE1 3.66Å; R110-E127 PolarHBondContact NH2-OE1 2.79Å; E127-L129 PolarHBondContact O-N 2.87Å
128D97.5Very high98.3Very high73 Ų7361.2 Ų61.239%0.3934%0.342SS..THydrogen-bonded Turntrans-73.8-8.7172.470.2-1.8000113.8N126 R130 S131N126-D128 PolarHBondContact O-N 2.86Å; N126-D128 VanDerWaalsContact O-N 3.08Å; D128-R130 HydrophobicContact CB-CB 4.48Å; D128-R130 WeakPolarHBondContact O-CD 3.46Å; D128-R130 VanDerWaalsContact O-CG 3.28Å; D128-R130 WeakPolarHBondContact O-CG 3.44Å; D128-R130 PolarHBondContact O-N 2.89Å; D128-R130 PolarHBondContact OD1-N 2.87Å; D128-S131 VanDerWaalsContact CG-OG 3.23Å; D128-S131 PolarHBondContact OD1-N 3.45Å; D128-S131 PolarHBondContact OD1-OG 3.38Å; D128-S131 WeakPolarHBondContact OD2-CB 3.22Å; D128-S131 PolarHBondContact OD2-N 2.82Å; D128-S131 PolarHBondContact OD2-OG 2.9Å
129L97.9Very high98.3Very high9 Ų958.2 Ų58.25%0.04733%0.326CS..SBendtrans51.931.7-172.7-54.8-179000113.3L108 L125 N126 E127 R156 L159 E160L108-L129 HydrophobicContact CD2-CD1 4.14Å; L125-L129 HydrophobicContact CD2-CD2 3.8Å; L125-L129 HydrophobicContact CG-CD2 4.31Å; N126-L129 WeakPolarHBondContact O-CA 3.34Å; N126-L129 PolarHBondContact O-N 3.08Å; E127-L129 PolarHBondContact O-N 2.87Å; L129-R156 HydrophobicContact CB-CB 3.99Å; L129-R156 HydrophobicContact CB-CG 3.73Å; L129-R156 HydrophobicContact CD1-CG 4.15Å; L129-R156 WeakPolarHBondContact O-CD 3.13Å; L129-L159 HydrophobicContact CD1-CB 4.43Å; L129-L159 HydrophobicContact CD2-CD1 3.96Å; L129-E160 HydrophobicContact CD1-CG 4.21Å
130R97.6Very high98.4Very high161 Ų16158.6 Ų58.661%0.60831%0.312SS*.SBendtrans-138-38.1-173-69.3159.7-176.9-88.45.2113.3D128 A152D128-R130 HydrophobicContact CB-CB 4.48Å; D128-R130 WeakPolarHBondContact O-CD 3.46Å; D128-R130 VanDerWaalsContact O-CG 3.28Å; D128-R130 WeakPolarHBondContact O-CG 3.44Å; D128-R130 PolarHBondContact O-N 2.89Å; D128-R130 PolarHBondContact OD1-N 2.87Å; R130-A152 WeakPolarHBondContact O-CB 3.22Å
131S98.1Very high98.4Very high42 Ų4253.8 Ų53.829%0.29429%0.293SS..  trans-108.8166.1-178.462.50000111.9N126 D128N126-S131 WeakPolarHBondContact CB-O 3.38Å; N126-S131 PolarHBondContact N-O 3.32Å; N126-S131 PolarHBondContact ND2-OG 2.81Å; D128-S131 VanDerWaalsContact CG-OG 3.23Å; D128-S131 PolarHBondContact OD1-N 3.45Å; D128-S131 PolarHBondContact OD1-OG 3.38Å; D128-S131 WeakPolarHBondContact OD2-CB 3.22Å; D128-S131 PolarHBondContact OD2-N 2.82Å; D128-S131 PolarHBondContact OD2-OG 2.9Å
132W98.7Very high98.3Very high16 Ų1649.5 Ų49.56%0.06127%0.272CS..EExtended strand (participates in β ladder)trans-123.4143.5-176.1-61.991000111I123 A124 L125 N126 Q143 L146 A151 A152 L155I123-W132 HydrophobicContact CD1-CB 4.39Å; I123-W132 HydrophobicContact CD1-CD2 4.49Å; I123-W132 HydrophobicContact CD1-CE3 4.17Å; I123-W132 HydrophobicContact CG1-CB 4.46Å; I123-W132 HydrophobicContact CG1-CE3 4.05Å; A124-W132 CarbonylContact O-C 3.49Å; A124-W132 WeakPolarHBondContact O-CA 3.48Å; L125-W132 HydrophobicContact CB-CE3 4.1Å; L125-W132 HydrophobicContact CB-CH2 4.19Å; L125-W132 HydrophobicContact CB-CZ3 3.8Å; L125-W132 HydrophobicContact CD1-CD2 4.26Å; L125-W132 HydrophobicContact CD1-CE3 4.41Å; L125-W132 HydrophobicContact CD1-CH2 4.13Å; L125-W132 HydrophobicContact CD1-CZ2 3.94Å; L125-W132 HydrophobicContact CD1-CZ3 4.35Å; N126-W132 PolarHBondContact ND2-N 3.13Å; W132-Q143 HydrophobicContact CB-CG 4.13Å; W132-L146 HydrophobicContact CD2-CD1 4.01Å; W132-L146 HydrophobicContact CE3-CD1 4.02Å; W132-L146 HydrophobicContact CH2-CD1 3.78Å; W132-L146 HydrophobicContact CZ2-CB 4.12Å; W132-L146 HydrophobicContact CZ2-CD1 3.77Å; W132-L146 HydrophobicContact CZ2-CG 4.4Å; W132-L146 HydrophobicContact CZ3-CD1 3.91Å; W132-A151 HydrophobicContact CZ2-CB 4.34Å; W132-A152 HydrophobicContact CZ2-CB 4.31Å; W132-L155 HydrophobicContact CH2-CD1 3.47Å; W132-L155 VanDerWaalsContact CH2-CD1 3.47Å; W132-L155 HydrophobicContact CZ2-CD1 3.91Å
133T98.7Very high98.3Very high80 Ų8051.1 Ų51.149%0.49128%0.279SS..EExtended strand (participates in β ladder)trans-104.6120.1164.4-65.80000108.9I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.43Å; I123-T133 WeakPolarHBondContact CG1-O 3.3Å; A124-T133 PolarHBondContact N-O 2.82Å; A124-T133 PolarHBondContact O-N 3.22Å; N126-T133 WeakPolarHBondContact OD1-CB 3.47Å; N126-T133 PolarHBondContact OD1-N 2.8Å; N126-T133 PolarHBondContact OD1-OG1 2.79Å
134A98.7Very high98.3Very high23 Ų2357.2 Ų57.219%0.1930%0.302CS..EExtended strand (participates in β ladder)trans-103.6129.217600000110I123 A139 Q140 Q143I123-A134 HydrophobicContact CG1-CB 4.49Å; A134-A139 HydrophobicContact CB-CB 3.68Å; A134-Q140 HydrophobicContact CB-CG 4.09Å; A134-Q143 HydrophobicContact CB-CB 4.36Å
135A98.5Very high98.3Very high62 Ų6261.3 Ų61.351%0.51231%0.314SS..SBendtrans-72-31.3-174.500000113.7D121 Y122D121-A135 WeakPolarHBondContact O-CB 3.28Å; Y122-A135 WeakPolarHBondContact O-CB 3.33Å; Y122-A135 PolarHBondContact O-N 2.82Å
136D98.3Very high98.2Very high53 Ų5362.7 Ų62.728%0.28332%0.321SS..SBendtrans-149-173.5-178.170.129.1000113.8Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.36Å; Y84-D136 VanDerWaalsContact OH-CG 3.28Å; Y84-D136 PolarHBondContact OH-OD1 3.32Å; Y84-D136 PolarHBondContact OH-OD2 3Å; D136-A138 VanDerWaalsContact C-N 3.34Å; D136-A138 PolarHBondContact O-N 2.82Å; D136-A138 WeakPolarHBondContact OD1-CA 3.39Å; D136-A138 WeakPolarHBondContact OD1-CB 3.37Å; D136-A138 PolarHBondContact OD1-N 3.19Å; D136-A139 PolarHBondContact O-N 2.73Å; D136-A139 PolarHBondContact OD1-N 2.86Å; D136-Q140 WeakPolarHBondContact O-CG 3.21Å; D136-Q140 PolarHBondContact O-N 2.7Å
137T98.1Very high98.2Very high111 Ų11165 Ų6568%0.68133%0.33SS*.THydrogen-bonded Turntrans-68.7-24-179.249.30000114.6
138A98.1Very high98.3Very high5 Ų562.7 Ų62.74%0.04134%0.335CS..THydrogen-bonded Turntrans-78.1-43172.400000110.4Y83 Y84 Y122 D136 Q140 I141Y83-A138 HydrophobicContact CD2-CB 4.34Å; Y84-A138 HydrophobicContact CD1-CB 4.26Å; Y84-A138 HydrophobicContact CD2-CB 4.5Å; Y84-A138 HydrophobicContact CE1-CB 3.73Å; Y84-A138 HydrophobicContact CE2-CB 3.99Å; Y122-A138 HydrophobicContact CE2-CB 4.41Å; Y122-A138 PolarHBondContact OH-O 2.88Å; D136-A138 VanDerWaalsContact C-N 3.34Å; D136-A138 PolarHBondContact O-N 2.82Å; D136-A138 WeakPolarHBondContact OD1-CA 3.39Å; D136-A138 WeakPolarHBondContact OD1-CB 3.37Å; D136-A138 PolarHBondContact OD1-N 3.19Å; A138-Q140 VanDerWaalsContact C-N 3.25Å; A138-Q140 PolarHBondContact O-N 3.3Å; A138-I141 WeakPolarHBondContact O-CA 3.48Å; A138-I141 VanDerWaalsContact O-CB 3.22Å; A138-I141 WeakPolarHBondContact O-CB 3.43Å; A138-I141 PolarHBondContact O-N 3.15Å
139A98.5Very high98.3Very high0 Ų062.3 Ų62.30%034%0.342CS..Hα-helixtrans-56.9-37.7172.600000112.7Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD2-CB 3.91Å; Y122-A139 HydrophobicContact CE1-CB 4.41Å; Y122-A139 HydrophobicContact CE2-CB 3.77Å; Y122-A139 HydrophobicContact CG-CB 4.3Å; Y122-A139 VanDerWaalsContact CZ-CA 3.47Å; Y122-A139 WeakPolarHBondContact O-CB 3.31Å; A134-A139 HydrophobicContact CB-CB 3.68Å; D136-A139 PolarHBondContact O-N 2.73Å; D136-A139 PolarHBondContact OD1-N 2.86Å; A139-I141 PolarHBondContact O-N 2.82Å; A139-T142 CarbonylContact O-C 3.54Å; A139-T142 WeakPolarHBondContact O-CA 3.47Å; A139-T142 WeakPolarHBondContact O-CB 3.36Å; A139-T142 PolarHBondContact O-N 2.85Å; A139-Q143 PolarHBondContact O-N 2.91Å
140Q98.7Very high98.3Very high70 Ų7069.4 Ų69.433%0.32737%0.368SS..Hα-helixtrans-59.9-23.9172.2-71.5175.419.700113.9A134 D136 A138 R144A134-Q140 HydrophobicContact CB-CG 4.09Å; D136-Q140 WeakPolarHBondContact O-CG 3.21Å; D136-Q140 PolarHBondContact O-N 2.7Å; A138-Q140 VanDerWaalsContact C-N 3.25Å; A138-Q140 PolarHBondContact O-N 3.3Å; Q140-R144 WeakPolarHBondContact O-CD 3.4Å; Q140-R144 VanDerWaalsContact O-CG 3.26Å; Q140-R144 WeakPolarHBondContact O-CG 3.28Å; Q140-R144 PolarHBondContact O-N 3.42Å; Q140-R144 PolarHBondContact O-NH1 2.8Å
141I98.4Very high98.3Very high61 Ų6162.5 Ų62.531%0.31335%0.345SS..Hα-helixtrans-71.9-38.9173.3-52.6173.2000110Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.08Å; Y83-I141 HydrophobicContact CD2-CB 4.47Å; Y83-I141 HydrophobicContact CD2-CD1 4.43Å; Y83-I141 HydrophobicContact CE1-CD1 4.45Å; Y83-I141 HydrophobicContact CE1-CG2 3.94Å; Y83-I141 HydrophobicContact CE2-CB 4.12Å; Y83-I141 HydrophobicContact CE2-CG2 4.16Å; Y83-I141 HydrophobicContact CG-CD1 4.09Å; A138-I141 WeakPolarHBondContact O-CA 3.48Å; A138-I141 VanDerWaalsContact O-CB 3.22Å; A138-I141 WeakPolarHBondContact O-CB 3.43Å; A138-I141 PolarHBondContact O-N 3.15Å; A139-I141 PolarHBondContact O-N 2.82Å; I141-K145 WeakPolarHBondContact O-CG 3.48Å
142T98.3Very high98.2Very high31 Ų3160.9 Ų60.919%0.1934%0.335CS..Hα-helixtrans-68.6-45.4172.1-70.40000111.3Y122 I123 A139 R144 K145 L146Y122-T142 HydrophobicContact CE1-CG2 4.16Å; Y122-T142 PolarHBondContact OH-OG1 3.41Å; I123-T142 HydrophobicContact CD1-CG2 4Å; A139-T142 CarbonylContact O-C 3.54Å; A139-T142 WeakPolarHBondContact O-CA 3.47Å; A139-T142 WeakPolarHBondContact O-CB 3.36Å; A139-T142 PolarHBondContact O-N 2.85Å; T142-R144 PolarHBondContact O-N 2.83Å; T142-K145 WeakPolarHBondContact O-CA 3.43Å; T142-K145 WeakPolarHBondContact O-CB 3.34Å; T142-K145 PolarHBondContact O-N 2.86Å; T142-L146 HydrophobicContact CG2-CD1 3.69Å; T142-L146 HydrophobicContact CG2-CG 4Å; T142-L146 WeakPolarHBondContact O-CG 3.47Å; T142-L146 PolarHBondContact O-N 2.87Å
143Q98.6Very high98.2Very high42 Ų4265.5 Ų65.520%0.19636%0.357CS..Hα-helixtrans-50.5-55.3177.5174.9172.66.800111.9I123 W132 A134 A139 K145 L146 E147I123-Q143 HydrophobicContact CD1-CB 3.92Å; W132-Q143 HydrophobicContact CB-CG 4.13Å; A134-Q143 HydrophobicContact CB-CB 4.36Å; A139-Q143 PolarHBondContact O-N 2.91Å; Q143-K145 PolarHBondContact O-N 2.81Å; Q143-K145 VanDerWaalsContact O-N 3.15Å; Q143-L146 PolarHBondContact O-N 2.97Å; Q143-E147 VanDerWaalsContact CG-CD 3.47Å; Q143-E147 HydrophobicContact CG-CG 4.25Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.49Å; Q143-E147 PolarHBondContact NE2-OE1 2.83Å; Q143-E147 WeakPolarHBondContact O-CG 3.22Å; Q143-E147 PolarHBondContact O-N 3.39Å
144R98.6Very high98.1Very high140 Ų14068.7 Ų68.753%0.52837%0.367SS..Hα-helixtrans-58-32.1179.8-67.4167.8-168.9118.46112.8Q140 T142 A148Q140-R144 WeakPolarHBondContact O-CD 3.4Å; Q140-R144 VanDerWaalsContact O-CG 3.26Å; Q140-R144 WeakPolarHBondContact O-CG 3.28Å; Q140-R144 PolarHBondContact O-N 3.42Å; Q140-R144 PolarHBondContact O-NH1 2.8Å; T142-R144 PolarHBondContact O-N 2.83Å; R144-A148 VanDerWaalsContact O-CB 3.24Å; R144-A148 WeakPolarHBondContact O-CB 3.27Å; R144-A148 PolarHBondContact O-N 3.22Å; R144-A148 VanDerWaalsContact O-N 3.1Å
145K98Very high98Very high115 Ų11569.2 Ų69.250%0.537%0.366SS..Hα-helixtrans-73.6-41.6175.3-70.8174178-178.10112Y83 I141 T142 Q143 A149Y83-K145 PolarHBondContact OH-NZ 2.68Å; I141-K145 WeakPolarHBondContact O-CG 3.48Å; T142-K145 WeakPolarHBondContact O-CA 3.43Å; T142-K145 WeakPolarHBondContact O-CB 3.34Å; T142-K145 PolarHBondContact O-N 2.86Å; Q143-K145 PolarHBondContact O-N 2.81Å; Q143-K145 VanDerWaalsContact O-N 3.15Å; K145-A149 VanDerWaalsContact O-CB 3.22Å; K145-A149 WeakPolarHBondContact O-CB 3.13Å; K145-A149 PolarHBondContact O-N 2.9Å
146L98Very high98Very high43 Ų4369.7 Ų69.723%0.22535%0.354CS..Hα-helixtrans-67.9-39177.3-65.9174.5000111.9I123 W132 T142 Q143 A149 R150 A151I123-L146 HydrophobicContact CD1-CD1 3.89Å; W132-L146 HydrophobicContact CD2-CD1 4.01Å; W132-L146 HydrophobicContact CE3-CD1 4.02Å; W132-L146 HydrophobicContact CH2-CD1 3.78Å; W132-L146 HydrophobicContact CZ2-CB 4.12Å; W132-L146 HydrophobicContact CZ2-CD1 3.77Å; W132-L146 HydrophobicContact CZ2-CG 4.4Å; W132-L146 HydrophobicContact CZ3-CD1 3.91Å; T142-L146 HydrophobicContact CG2-CD1 3.69Å; T142-L146 HydrophobicContact CG2-CG 4Å; T142-L146 WeakPolarHBondContact O-CG 3.47Å; T142-L146 PolarHBondContact O-N 2.87Å; Q143-L146 PolarHBondContact O-N 2.97Å; L146-A149 CarbonylContact O-C 3.5Å; L146-A149 PolarHBondContact O-N 3.19Å; L146-R150 PolarHBondContact O-N 3.45Å; L146-A151 HydrophobicContact CB-CB 4.06Å; L146-A151 HydrophobicContact CD2-CB 3.67Å; L146-A151 HydrophobicContact CG-CB 4.45Å; L146-A151 PolarHBondContact O-N 2.92Å
147E98.4Very high98Very high90 Ų9070.2 Ų70.242%0.42137%0.366SS..Hα-helixtrans-65-49.7174.4-70.5167.716700111.3Q143 A149 R150Q143-E147 VanDerWaalsContact CG-CD 3.47Å; Q143-E147 HydrophobicContact CG-CG 4.25Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.49Å; Q143-E147 PolarHBondContact NE2-OE1 2.83Å; Q143-E147 WeakPolarHBondContact O-CG 3.22Å; Q143-E147 PolarHBondContact O-N 3.39Å; E147-A149 VanDerWaalsContact C-N 3.26Å; E147-A149 PolarHBondContact O-N 2.96Å; E147-R150 PolarHBondContact O-N 3.12Å
148A98.3Very high97.9Very high89 Ų8967.9 Ų67.974%0.73635%0.345SS*.Hα-helixtrans-61.9-33.1176.500000113.1R144 R150R144-A148 VanDerWaalsContact O-CB 3.24Å; R144-A148 WeakPolarHBondContact O-CB 3.27Å; R144-A148 PolarHBondContact O-N 3.22Å; R144-A148 VanDerWaalsContact O-N 3.1Å; A148-R150 VanDerWaalsContact C-N 3.35Å
149A97.6Very high97.9Very high65 Ų6567.7 Ų67.754%0.53734%0.343SS..THydrogen-bonded Turntrans-84.9-2.4174.600000114.2K145 L146 E147 A151K145-A149 VanDerWaalsContact O-CB 3.22Å; K145-A149 WeakPolarHBondContact O-CB 3.13Å; K145-A149 PolarHBondContact O-N 2.9Å; L146-A149 CarbonylContact O-C 3.5Å; L146-A149 PolarHBondContact O-N 3.19Å; E147-A149 VanDerWaalsContact C-N 3.26Å; E147-A149 PolarHBondContact O-N 2.96Å; A149-A151 PolarHBondContact O-N 2.83Å
150R97.4Very high97.9Very high158 Ų15871.6 Ų71.660%0.59636%0.362SS*.THydrogen-bonded Turntrans52.233.6-173.7-60.8173.8171.4-127.59114.1L146 E147 A148 A152 E153L146-R150 PolarHBondContact O-N 3.45Å; E147-R150 PolarHBondContact O-N 3.12Å; A148-R150 VanDerWaalsContact C-N 3.35Å; R150-A152 PolarHBondContact O-N 3.17Å; R150-A152 VanDerWaalsContact O-N 3.08Å; R150-E153 HydrophobicContact CB-CG 4.17Å; R150-E153 WeakPolarHBondContact CD-OE1 3.31Å; R150-E153 IonicContact CZ-OE1 3.88Å; R150-E153 IonicContact NE-OE1 2.82Å; R150-E153 IonicContact NH1-OE1 3.23Å; R150-E153 PolarHBondContact NH1-OE1 2.87Å; R150-E153 IonicContact NH1-OE2 2.79Å; R150-E153 WeakPolarHBondContact O-CB 3.43Å; R150-E153 PolarHBondContact O-N 2.63Å
151A97.4Very high97.8Very high16 Ų1669.4 Ų69.413%0.13236%0.358CS..Hα-helixtrans-56.9-31.6-173.100000113.5W132 L146 A149 E153 Q154 L155W132-A151 HydrophobicContact CZ2-CB 4.34Å; L146-A151 HydrophobicContact CB-CB 4.06Å; L146-A151 HydrophobicContact CD2-CB 3.67Å; L146-A151 HydrophobicContact CG-CB 4.45Å; L146-A151 PolarHBondContact O-N 2.92Å; A149-A151 PolarHBondContact O-N 2.83Å; A151-E153 VanDerWaalsContact C-N 3.31Å; A151-E153 PolarHBondContact O-N 3.47Å; A151-Q154 PolarHBondContact O-N 2.83Å; A151-L155 PolarHBondContact O-N 2.86Å
152A97.9Very high97.8Very high9 Ų968.9 Ų68.97%0.07436%0.358CS..Hα-helixtrans-61.4-33.7174.900000113.2L125 R130 W132 R150 Q154 L155 R156L125-A152 HydrophobicContact CD1-CB 3.85Å; R130-A152 WeakPolarHBondContact O-CB 3.22Å; W132-A152 HydrophobicContact CZ2-CB 4.31Å; R150-A152 PolarHBondContact O-N 3.17Å; R150-A152 VanDerWaalsContact O-N 3.08Å; A152-Q154 VanDerWaalsContact C-N 3.31Å; A152-Q154 PolarHBondContact O-N 2.99Å; A152-L155 PolarHBondContact O-N 2.77Å; A152-R156 WeakPolarHBondContact O-CB 3.36Å; A152-R156 PolarHBondContact O-N 3.37Å
153E97.6Very high97.8Very high113 Ų11367.4 Ų67.453%0.52835%0.349SS..Hα-helixtrans-63.1-38.8176.1-63.5178.9-176.100111.2R150 A151 A157R150-E153 HydrophobicContact CB-CG 4.17Å; R150-E153 WeakPolarHBondContact CD-OE1 3.31Å; R150-E153 IonicContact CZ-OE1 3.88Å; R150-E153 IonicContact NE-OE1 2.82Å; R150-E153 IonicContact NH1-OE1 3.23Å; R150-E153 PolarHBondContact NH1-OE1 2.87Å; R150-E153 IonicContact NH1-OE2 2.79Å; R150-E153 WeakPolarHBondContact O-CB 3.43Å; R150-E153 PolarHBondContact O-N 2.63Å; A151-E153 VanDerWaalsContact C-N 3.31Å; A151-E153 PolarHBondContact O-N 3.47Å; E153-A157 WeakPolarHBondContact O-CB 3.44Å; E153-A157 PolarHBondContact O-N 3.14Å; E153-A157 VanDerWaalsContact O-N 3.16Å
154Q96Very high97.8Very high147 Ų14765.7 Ų65.769%0.68734%0.341SS*.Hα-helixtrans-74.2-44.1178.9-60.9-176.8100112.1A151 A152 A157 Y158A151-Q154 PolarHBondContact O-N 2.83Å; A152-Q154 VanDerWaalsContact C-N 3.31Å; A152-Q154 PolarHBondContact O-N 2.99Å; Q154-A157 PolarHBondContact O-N 3.41Å; Q154-Y158 PolarHBondContact O-N 3.3Å; Q154-Y158 VanDerWaalsContact O-N 3.08Å
155L97.1Very high97.7Very high33 Ų3364.7 Ų64.717%0.17334%0.342CS..Hα-helixtrans-63.9-43176.4-72.1169.6000111.3D113 L125 W132 A151 A152 A157 Y158 L159D113-L155 HydrophobicContact CB-CD1 4.15Å; D113-L155 WeakPolarHBondContact OD1-CD2 3.37Å; L125-L155 HydrophobicContact CD2-CB 4.21Å; W132-L155 HydrophobicContact CH2-CD1 3.47Å; W132-L155 VanDerWaalsContact CH2-CD1 3.47Å; W132-L155 HydrophobicContact CZ2-CD1 3.91Å; A151-L155 PolarHBondContact O-N 2.86Å; A152-L155 PolarHBondContact O-N 2.77Å; L155-A157 VanDerWaalsContact C-N 3.35Å; L155-A157 PolarHBondContact O-N 3.45Å; L155-Y158 PolarHBondContact O-N 3.45Å; L155-L159 WeakPolarHBondContact O-CB 3.02Å; L155-L159 VanDerWaalsContact O-CG 3.24Å; L155-L159 WeakPolarHBondContact O-CG 3.22Å; L155-L159 PolarHBondContact O-N 2.93Å
156R98Very high97.7Very high72 Ų7261.3 Ų61.327%0.27233%0.327SS..Hα-helixtrans-59.8-42.6174.9-174.4170.7176.7-102.1-16.6112.1L129 A152 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 3.99Å; L129-R156 HydrophobicContact CB-CG 3.73Å; L129-R156 HydrophobicContact CD1-CG 4.15Å; L129-R156 WeakPolarHBondContact O-CD 3.13Å; A152-R156 WeakPolarHBondContact O-CB 3.36Å; A152-R156 PolarHBondContact O-N 3.37Å; R156-Y158 VanDerWaalsContact C-N 3.34Å; R156-Y158 PolarHBondContact O-N 2.69Å; R156-L159 PolarHBondContact O-N 3.34Å; R156-E160 HydrophobicContact CG-CG 4.03Å; R156-E160 VanDerWaalsContact CZ-CD 3.48Å; R156-E160 IonicContact CZ-OE1 3.39Å; R156-E160 IonicContact CZ-OE2 2.82Å; R156-E160 VanDerWaalsContact NE-CD 3.32Å; R156-E160 IonicContact NE-OE1 2.89Å; R156-E160 PolarHBondContact NE-OE1 3.05Å; R156-E160 IonicContact NE-OE2 3.94Å; R156-E160 PolarHBondContact NE-OE2 3.06Å; R156-E160 IonicContact NH1-OE2 3.31Å; R156-E160 IonicContact NH2-OE1 3.07Å; R156-E160 PolarHBondContact NH2-OE1 3.31Å; R156-E160 IonicContact NH2-OE2 3.39Å; R156-E160 PolarHBondContact NH2-OE2 3.44Å; R156-E160 WeakPolarHBondContact O-CB 3.44Å; R156-E160 WeakPolarHBondContact O-CG 3.16Å; R156-E160 PolarHBondContact O-N 3.34Å
157A98Very high97.8Very high64 Ų6459.3 Ų59.353%0.52932%0.316SS..Hα-helixtrans-63-37.6175.400000113E153 Q154 L155 G161E153-A157 WeakPolarHBondContact O-CB 3.44Å; E153-A157 PolarHBondContact O-N 3.14Å; E153-A157 VanDerWaalsContact O-N 3.16Å; Q154-A157 PolarHBondContact O-N 3.41Å; L155-A157 VanDerWaalsContact C-N 3.35Å; L155-A157 PolarHBondContact O-N 3.45Å; A157-G161 PolarHBondContact O-N 2.74Å
158Y97.2Very high97.7Very high62 Ų6260.8 Ų60.824%0.24332%0.318CS..Iπ-helixtrans-67-44.7171.9167.9-102.4000112.2Q154 L155 R156 T162 C163Q154-Y158 PolarHBondContact O-N 3.3Å; Q154-Y158 VanDerWaalsContact O-N 3.08Å; L155-Y158 PolarHBondContact O-N 3.45Å; R156-Y158 VanDerWaalsContact C-N 3.34Å; R156-Y158 PolarHBondContact O-N 2.69Å; Y158-T162 HydrophobicContact CD2-CG2 3.94Å; Y158-T162 HydrophobicContact CE2-CG2 3.88Å; Y158-T162 PolarHBondContact O-N 2.79Å; Y158-T162 VanDerWaalsContact O-N 3.14Å; Y158-C163 HydrophobicContact CE1-CB 4.13Å; Y158-C163 WeakPolarHBondContact O-CB 3.37Å; Y158-C163 PolarHBondContact O-N 3.32Å
159L98.3Very high97.7Very high1 Ų162.2 Ų62.21%0.00530%0.304CS..Iπ-helixtrans-72.7-38.7-175.1-70.6172.6000113.3G99 L125 L129 L155 R156 C163 V164G99-L159 WeakPolarHBondContact O-CD2 3.48Å; L125-L159 HydrophobicContact CD2-CD1 3.93Å; L129-L159 HydrophobicContact CD1-CB 4.43Å; L129-L159 HydrophobicContact CD2-CD1 3.96Å; L155-L159 WeakPolarHBondContact O-CB 3.02Å; L155-L159 VanDerWaalsContact O-CG 3.24Å; L155-L159 WeakPolarHBondContact O-CG 3.22Å; L155-L159 PolarHBondContact O-N 2.93Å; R156-L159 PolarHBondContact O-N 3.34Å; L159-C163 HydrophobicContact CD2-CB 4.5Å; L159-V164 WeakPolarHBondContact O-CG2 3.24Å
160E97.7Very high97.7Very high83 Ų8359.1 Ų59.139%0.38828%0.279SS..Iπ-helixtrans-80.8-27.5178.1-67-177.9161.200113.1L108 L129 R156L108-E160 HydrophobicContact CD2-CB 4.47Å; L108-E160 HydrophobicContact CD2-CG 3.76Å; L129-E160 HydrophobicContact CD1-CG 4.21Å; R156-E160 HydrophobicContact CG-CG 4.03Å; R156-E160 VanDerWaalsContact CZ-CD 3.48Å; R156-E160 IonicContact CZ-OE1 3.39Å; R156-E160 IonicContact CZ-OE2 2.82Å; R156-E160 VanDerWaalsContact NE-CD 3.32Å; R156-E160 IonicContact NE-OE1 2.89Å; R156-E160 PolarHBondContact NE-OE1 3.05Å; R156-E160 IonicContact NE-OE2 3.94Å; R156-E160 PolarHBondContact NE-OE2 3.06Å; R156-E160 IonicContact NH1-OE2 3.31Å; R156-E160 IonicContact NH2-OE1 3.07Å; R156-E160 PolarHBondContact NH2-OE1 3.31Å; R156-E160 IonicContact NH2-OE2 3.39Å; R156-E160 PolarHBondContact NH2-OE2 3.44Å; R156-E160 WeakPolarHBondContact O-CB 3.44Å; R156-E160 WeakPolarHBondContact O-CG 3.16Å; R156-E160 PolarHBondContact O-N 3.34Å
161G97.6Very high97.7Very high24 Ų2452.2 Ų52.225%0.24725%0.253CS..Iπ-helixtrans-104.6-91.617900000112.6A157 C163 V164 E165A157-G161 PolarHBondContact O-N 2.74Å; G161-C163 VanDerWaalsContact C-N 3.3Å; G161-C163 PolarHBondContact O-N 3.08Å; G161-C163 VanDerWaalsContact O-N 3.15Å; G161-V164 WeakPolarHBondContact O-CB 3.24Å; G161-V164 PolarHBondContact O-N 2.99Å; G161-E165 WeakPolarHBondContact O-CG 3.02Å; G161-E165 PolarHBondContact O-N 2.75Å
162T97.4Very high97.7Very high50 Ų5056.9 Ų56.931%0.30727%0.272SS..Iπ-helixtrans-53.4-40.1-168.7-55.90000114.1Y158 E165 W166Y158-T162 HydrophobicContact CD2-CG2 3.94Å; Y158-T162 HydrophobicContact CE2-CG2 3.88Å; Y158-T162 PolarHBondContact O-N 2.79Å; Y158-T162 VanDerWaalsContact O-N 3.14Å; T162-E165 PolarHBondContact O-N 3.49Å; T162-W166 VanDerWaalsContact O-CD1 3.25Å; T162-W166 PolarHBondContact O-N 3.01Å
163C98.3Very high97.7Very high0 Ų059 Ų590%028%0.282CS..Hα-helixtrans-63.5-46.5178.9-169.20000111.4M4 C100 Y158 L159 G161 E165 L167M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 VanDerWaalsContact CE-O 3.22Å; M4-C163 WeakPolarHBondContact CE-O 3.02Å; M4-C163 WeakPolarHBondContact CE-SG 3.39Å; C100-C163 HydrophobicContact CB-CB 3.87Å; C100-C163 WeakPolarHBondContact CB-SG 3.37Å; C100-C163 PolarHBondContact N-SG 2.88Å; C100-C163 VanDerWaalsContact N-SG 3.35Å; C100-C163 WeakPolarHBondContact SG-CB 3.49Å; C100-C163 CovalentContact SG-SG 2.03Å; C100-C163 PolarHBondContact SG-SG 2.75Å; Y158-C163 HydrophobicContact CE1-CB 4.13Å; Y158-C163 WeakPolarHBondContact O-CB 3.37Å; Y158-C163 PolarHBondContact O-N 3.32Å; L159-C163 HydrophobicContact CD2-CB 4.5Å; G161-C163 VanDerWaalsContact C-N 3.3Å; G161-C163 PolarHBondContact O-N 3.08Å; G161-C163 VanDerWaalsContact O-N 3.15Å; C163-E165 PolarHBondContact O-N 3.42Å; C163-L167 VanDerWaalsContact O-CB 3.32Å; C163-L167 WeakPolarHBondContact O-CB 3.48Å; C163-L167 PolarHBondContact O-N 3.1Å
164V98.3Very high97.6Very high6 Ų653.8 Ų53.84%0.03626%0.259CS..Hα-helixtrans-61.6-43.3175.8179.10000111.5L102 L108 L159 G161 R168L102-V164 HydrophobicContact CD2-CB 4.25Å; L102-V164 HydrophobicContact CD2-CG1 3.84Å; L102-V164 HydrophobicContact CD2-CG2 3.92Å; L108-V164 HydrophobicContact CB-CG2 4.03Å; L108-V164 HydrophobicContact CD1-CG2 4.06Å; L159-V164 WeakPolarHBondContact O-CG2 3.24Å; G161-V164 WeakPolarHBondContact O-CB 3.24Å; G161-V164 PolarHBondContact O-N 2.99Å; V164-R168 WeakPolarHBondContact O-CB 3.36Å; V164-R168 VanDerWaalsContact O-CG 3.26Å; V164-R168 WeakPolarHBondContact O-CG 3.3Å; V164-R168 PolarHBondContact O-N 2.85Å
165E98.1Very high97.6Very high118 Ų11851.1 Ų51.155%0.55125%0.245SC*.Hα-helixtrans-62.8-48.1179.6-69.3171.7157.700112.4G161 T162 C163 R169G161-E165 WeakPolarHBondContact O-CG 3.02Å; G161-E165 PolarHBondContact O-N 2.75Å; T162-E165 PolarHBondContact O-N 3.49Å; C163-E165 PolarHBondContact O-N 3.42Å; E165-R169 PolarHBondContact O-N 2.75Å; E165-R169 VanDerWaalsContact O-N 3.08Å
166W98.1Very high97.4Very high45 Ų4558.1 Ų58.117%0.1728%0.277CS..Hα-helixtrans-71.8-38.8-179.4-7991000112.4M4 Y58 T162 R169 Y170M4-W166 HydrophobicContact CE-CB 4.2Å; Y58-W166 HydrophobicContact CD2-CE3 4.43Å; Y58-W166 AromaticContact CD2-CH2 3.66Å; Y58-W166 HydrophobicContact CD2-CH2 3.66Å; Y58-W166 HydrophobicContact CD2-CZ2 4.44Å; Y58-W166 AromaticContact CD2-CZ3 3.64Å; Y58-W166 HydrophobicContact CD2-CZ3 3.64Å; Y58-W166 HydrophobicContact CE2-CE3 4.14Å; Y58-W166 HydrophobicContact CE2-CH2 4.19Å; Y58-W166 AromaticContact CE2-CZ3 3.75Å; Y58-W166 HydrophobicContact CE2-CZ3 3.75Å; T162-W166 VanDerWaalsContact O-CD1 3.25Å; T162-W166 PolarHBondContact O-N 3.01Å; W166-R169 WeakPolarHBondContact O-CB 3.37Å; W166-R169 PolarHBondContact O-N 3.15Å; W166-Y170 HydrophobicContact CB-CE2 4.07Å; W166-Y170 AromaticContact CE3-CE1 3.6Å; W166-Y170 HydrophobicContact CE3-CE1 3.6Å; W166-Y170 HydrophobicContact CE3-CE2 4.47Å; W166-Y170 AromaticContact CE3-CZ 3.56Å; W166-Y170 VanDerWaalsContact CE3-OH 3.3Å; W166-Y170 HydrophobicContact CZ3-CE1 4.1Å; W166-Y170 WeakPolarHBondContact O-CD2 3.44Å; W166-Y170 PolarHBondContact O-N 2.03Å
167L98.5Very high97.1Very high0 Ų056.8 Ų56.80%028%0.277CS..Hα-helixtrans-61.2-45.4173.7173.851.3000111.7H2 M4 V27 L102 C163 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.45Å; M4-L167 HydrophobicContact CB-CB 3.97Å; M4-L167 HydrophobicContact CB-CD1 4.02Å; M4-L167 HydrophobicContact CB-CD2 3.91Å; M4-L167 HydrophobicContact CB-CG 4.18Å; M4-L167 HydrophobicContact CE-CB 4.26Å; M4-L167 HydrophobicContact SD-CB 4.41Å; V27-L167 HydrophobicContact CG1-CD1 3.59Å; V27-L167 HydrophobicContact CG2-CD1 4.21Å; L102-L167 HydrophobicContact CD1-CB 4.36Å; L102-L167 HydrophobicContact CD1-CD2 3.69Å; L102-L167 HydrophobicContact CD1-CG 3.75Å; L102-L167 HydrophobicContact CD2-CD2 4.48Å; L102-L167 HydrophobicContact CG-CD2 3.6Å; L102-L167 HydrophobicContact CG-CG 4.25Å; C163-L167 VanDerWaalsContact O-CB 3.32Å; C163-L167 WeakPolarHBondContact O-CB 3.48Å; C163-L167 PolarHBondContact O-N 3.1Å; L167-R169 VanDerWaalsContact C-N 3.32Å; L167-R169 PolarHBondContact O-N 3.03Å; L167-Y170 PolarHBondContact O-N 2.87Å; L167-L171 HydrophobicContact CD1-CD1 3.73Å; L167-L171 HydrophobicContact CD1-CD2 4.37Å; L167-L171 HydrophobicContact CD1-CG 3.8Å; L167-L171 HydrophobicContact CG-CD1 3.97Å; L167-L171 HydrophobicContact CG-CG 4.49Å; L167-L171 WeakPolarHBondContact O-CB 3.42Å; L167-L171 VanDerWaalsContact O-CG 3.28Å; L167-L171 WeakPolarHBondContact O-CG 3.45Å; L167-L171 PolarHBondContact O-N 3.47Å
168R97.8Very high96.9Very high122 Ų12254 Ų5446%0.4625%0.253SS..Hα-helixtrans-58.8-42173.7-73.1172.7-176.2163.11.2112.5L102 G106 V164 L171 E172L102-R168 HydrophobicContact CD1-CG 4Å; G106-R168 VanDerWaalsContact O-CZ 3.29Å; G106-R168 PolarHBondContact O-NE 3.44Å; G106-R168 PolarHBondContact O-NH2 3.05Å; V164-R168 WeakPolarHBondContact O-CB 3.36Å; V164-R168 VanDerWaalsContact O-CG 3.26Å; V164-R168 WeakPolarHBondContact O-CG 3.3Å; V164-R168 PolarHBondContact O-N 2.85Å; R168-L171 PolarHBondContact O-N 3.02Å; R168-E172 PolarHBondContact O-N 2.92Å
169R97.5Very high96.7Very high118 Ų11855.5 Ų55.545%0.44526%0.262SS..Hα-helixtrans-62-45.3175.8178.6179173.4108.1-5.8111.5E54 E165 W166 L167 E172 N173E54-R169 VanDerWaalsContact CD-NH2 3.26Å; E54-R169 IonicContact OE1-CZ 2.79Å; E54-R169 VanDerWaalsContact OE1-CZ 3.3Å; E54-R169 IonicContact OE1-NE 3.52Å; E54-R169 PolarHBondContact OE1-NE 3.04Å; E54-R169 IonicContact OE1-NH2 2.93Å; E54-R169 PolarHBondContact OE1-NH2 3.35Å; E54-R169 IonicContact OE2-CZ 3.13Å; E54-R169 IonicContact OE2-NE 3.87Å; E54-R169 IonicContact OE2-NH2 3.34Å; E54-R169 PolarHBondContact OE2-NH2 3.01Å; E165-R169 PolarHBondContact O-N 2.75Å; E165-R169 VanDerWaalsContact O-N 3.08Å; W166-R169 WeakPolarHBondContact O-CB 3.37Å; W166-R169 PolarHBondContact O-N 3.15Å; L167-R169 VanDerWaalsContact C-N 3.32Å; L167-R169 PolarHBondContact O-N 3.03Å; R169-E172 PolarHBondContact O-N 3.41Å; R169-N173 VanDerWaalsContact O-CB 3.26Å; R169-N173 WeakPolarHBondContact O-CB 3.36Å; R169-N173 PolarHBondContact O-N 3.07Å; R169-N173 PolarHBondContact O-OD1 2.99Å
170Y97.9Very high96.5Very high1 Ų159.3 Ų59.30%0.00428%0.277CS..Hα-helixtrans-65.8-39.3178-61.9-30.7000112.6M4 V27 F32 W50 V51 Y58 W166 L167 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.73Å; M4-Y170 HydrophobicContact SD-CE2 3.5Å; M4-Y170 WeakPolarHBondContact SD-CE2 3.23Å; V27-Y170 HydrophobicContact CG2-CD2 3.84Å; V27-Y170 HydrophobicContact CG2-CG 4.38Å; F32-Y170 HydrophobicContact CD2-CE2 4.28Å; F32-Y170 HydrophobicContact CE1-CE2 4.47Å; F32-Y170 HydrophobicContact CE2-CD2 4.1Å; F32-Y170 HydrophobicContact CE2-CE1 4.37Å; F32-Y170 AromaticContact CE2-CE2 3.42Å; F32-Y170 HydrophobicContact CE2-CE2 3.42Å; F32-Y170 VanDerWaalsContact CE2-CE2 3.42Å; F32-Y170 AromaticContact CE2-CZ 3.59Å; F32-Y170 HydrophobicContact CZ-CD2 4.12Å; F32-Y170 AromaticContact CZ-CE2 3.54Å; F32-Y170 HydrophobicContact CZ-CE2 3.54Å; W50-Y170 HydrophobicContact CE3-CD1 4.22Å; W50-Y170 HydrophobicContact CE3-CG 4.44Å; W50-Y170 HydrophobicContact CH2-CD1 4.48Å; W50-Y170 HydrophobicContact CH2-CD2 4.44Å; W50-Y170 HydrophobicContact CH2-CG 4.05Å; W50-Y170 AromaticContact CZ3-CD1 3.55Å; W50-Y170 HydrophobicContact CZ3-CD1 3.55Å; W50-Y170 HydrophobicContact CZ3-CD2 4.24Å; W50-Y170 HydrophobicContact CZ3-CE1 4.3Å; W50-Y170 AromaticContact CZ3-CG 3.52Å; W50-Y170 HydrophobicContact CZ3-CG 3.52Å; V51-Y170 HydrophobicContact CG2-CE1 4.24Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.27Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.43Å; Y58-Y170 PolarHBondContact OH-OH 2.94Å; W166-Y170 HydrophobicContact CB-CE2 4.07Å; W166-Y170 AromaticContact CE3-CE1 3.6Å; W166-Y170 HydrophobicContact CE3-CE1 3.6Å; W166-Y170 HydrophobicContact CE3-CE2 4.47Å; W166-Y170 AromaticContact CE3-CZ 3.56Å; W166-Y170 VanDerWaalsContact CE3-OH 3.3Å; W166-Y170 HydrophobicContact CZ3-CE1 4.1Å; W166-Y170 WeakPolarHBondContact O-CD2 3.44Å; W166-Y170 PolarHBondContact O-N 2.03Å; L167-Y170 PolarHBondContact O-N 2.87Å; Y170-E172 VanDerWaalsContact C-N 3.33Å; Y170-E172 PolarHBondContact O-N 3.02Å; Y170-N173 PolarHBondContact O-N 2.89Å; Y170-G174 WeakPolarHBondContact O-CA 3.41Å; Y170-G174 PolarHBondContact O-N 2.75Å; Y170-L178 WeakPolarHBondContact O-CD1 3.37Å
171L97.3Very high96.4Very high13 Ų1357.4 Ų57.47%0.06828%0.275CS..Hα-helixtrans-63.7-34.9176.6-72.1167.1000113H2 V27 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.62Å; H2-L171 HydrophobicContact CB-CD2 3.9Å; H2-L171 HydrophobicContact CB-CG 4.35Å; H2-L171 VanDerWaalsContact CG-CD2 3.45Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.4Å; V27-L171 HydrophobicContact CG1-CD2 4.1Å; L167-L171 HydrophobicContact CD1-CD1 3.73Å; L167-L171 HydrophobicContact CD1-CD2 4.37Å; L167-L171 HydrophobicContact CD1-CG 3.8Å; L167-L171 HydrophobicContact CG-CD1 3.97Å; L167-L171 HydrophobicContact CG-CG 4.49Å; L167-L171 WeakPolarHBondContact O-CB 3.42Å; L167-L171 VanDerWaalsContact O-CG 3.28Å; L167-L171 WeakPolarHBondContact O-CG 3.45Å; L167-L171 PolarHBondContact O-N 3.47Å; R168-L171 PolarHBondContact O-N 3.02Å; L171-K175 WeakPolarHBondContact O-CA 3.47Å; L171-K175 WeakPolarHBondContact O-CB 3.3Å; L171-K175 PolarHBondContact O-N 3Å; L171-L178 HydrophobicContact CD2-CB 4.08Å; L171-L178 HydrophobicContact CD2-CD1 4.33Å; L171-Q179 PolarHBondContact O-NE2 2.86Å
172E96.9Very high96.4Very high113 Ų11359 Ų5953%0.52828%0.276SS..Hα-helixtrans-79.4-44.1173.8-165.563-15800111.5R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 2.92Å; R169-E172 PolarHBondContact O-N 3.41Å; Y170-E172 VanDerWaalsContact C-N 3.33Å; Y170-E172 PolarHBondContact O-N 3.02Å; E172-G174 VanDerWaalsContact C-N 3.28Å; E172-G174 PolarHBondContact O-N 2.81Å; E172-K175 WeakPolarHBondContact O-CB 3.47Å; E172-K175 PolarHBondContact O-N 2.96Å; E172-K175 IonicContact OE1-NZ 2.82Å; E172-K175 PolarHBondContact OE1-NZ 3.27Å; E172-K175 IonicContact OE2-NZ 2.68Å; E172-K175 PolarHBondContact OE2-NZ 2.67Å
173N97.3Very high96.4Very high53 Ų5359.7 Ų59.728%0.28328%0.281SS..Hα-helixtrans-57.5-38.7175.7-78.69.6000112.9W50 E54 R169 Y170W50-N173 WeakPolarHBondContact CB-O 3.42Å; E54-N173 PolarHBondContact OE1-ND2 3.32Å; R169-N173 VanDerWaalsContact O-CB 3.26Å; R169-N173 WeakPolarHBondContact O-CB 3.36Å; R169-N173 PolarHBondContact O-N 3.07Å; R169-N173 PolarHBondContact O-OD1 2.99Å; Y170-N173 PolarHBondContact O-N 2.89Å
174G96.4Very high96.4Very high4 Ų460.1 Ų60.14%0.04129%0.285CS..THydrogen-bonded Turntrans-108.117.3-174.900000114.1W50 Y170 E172 E176 T177 L178W50-G174 VanDerWaalsContact CB-CA 3.45Å; W50-G174 VanDerWaalsContact CG-CA 3.44Å; Y170-G174 WeakPolarHBondContact O-CA 3.41Å; Y170-G174 PolarHBondContact O-N 2.75Å; E172-G174 VanDerWaalsContact C-N 3.28Å; E172-G174 PolarHBondContact O-N 2.81Å; G174-E176 PolarHBondContact O-N 2.97Å; G174-T177 CarbonylContact O-C 3.56Å; G174-T177 WeakPolarHBondContact O-CA 3.45Å; G174-T177 PolarHBondContact O-N 2.97Å; G174-T177 PolarHBondContact O-OG1 2.77Å; G174-L178 PolarHBondContact O-N 2.88Å
175K95.3Very high96.3Very high91 Ų9166.7 Ų66.740%0.39631%0.313SS..Hα-helixtrans-46.4-49.4-170.6-171.6170.7-158.91460115L171 E172 T177 Q179L171-K175 WeakPolarHBondContact O-CA 3.47Å; L171-K175 WeakPolarHBondContact O-CB 3.3Å; L171-K175 PolarHBondContact O-N 3Å; E172-K175 WeakPolarHBondContact O-CB 3.47Å; E172-K175 PolarHBondContact O-N 2.96Å; E172-K175 IonicContact OE1-NZ 2.82Å; E172-K175 PolarHBondContact OE1-NZ 3.27Å; E172-K175 IonicContact OE2-NZ 2.68Å; E172-K175 PolarHBondContact OE2-NZ 2.67Å; K175-T177 PolarHBondContact O-N 2.86Å; K175-T177 VanDerWaalsContact O-N 3.08Å; K175-Q179 HydrophobicContact CG-CB 4.49Å; K175-Q179 HydrophobicContact CG-CG 4.48Å; K175-Q179 WeakPolarHBondContact O-CB 3.2Å; K175-Q179 PolarHBondContact O-N 3.45Å
176E92.7Very high96.3Very high180 Ų18063.1 Ų63.184%0.84130%0.299SS*.Hα-helixtrans-61.7-16.8178-59.1-175.4159.300113.7G174 R180G174-E176 PolarHBondContact O-N 2.97Å; E176-R180 WeakPolarHBondContact O-CD 3.34Å
177T92.5Very high96.2Very high44 Ų4465 Ų6527%0.2731%0.309SS..Hα-helixtrans-113.7-28.2-177.263.60000115.1W50 G174 K175 R180W50-T177 PolarHBondContact NE1-OG1 2.78Å; G174-T177 CarbonylContact O-C 3.56Å; G174-T177 WeakPolarHBondContact O-CA 3.45Å; G174-T177 PolarHBondContact O-N 2.97Å; G174-T177 PolarHBondContact O-OG1 2.77Å; K175-T177 PolarHBondContact O-N 2.86Å; K175-T177 VanDerWaalsContact O-N 3.08Å; T177-R180 PolarHBondContact O-NH1 2.86Å
178L94.3Very high96.2Very high5 Ų566.1 Ų66.13%0.02632%0.316CS..Hα-helixtrans-104.8-23.6-175.5-60.1172.7000113.1V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.3Å; V27-L178 HydrophobicContact CB-CD2 4.23Å; V27-L178 HydrophobicContact CG1-CD1 3.87Å; V27-L178 HydrophobicContact CG1-CD2 4.13Å; T30-L178 HydrophobicContact CG2-CD2 4Å; W50-L178 HydrophobicContact CD2-CD1 4.38Å; W50-L178 HydrophobicContact CH2-CD1 4.25Å; W50-L178 HydrophobicContact CZ2-CD1 3.69Å; W50-L178 HydrophobicContact CZ2-CD2 3.97Å; W50-L178 HydrophobicContact CZ2-CG 4.26Å; Y170-L178 WeakPolarHBondContact O-CD1 3.37Å; L171-L178 HydrophobicContact CD2-CB 4.08Å; L171-L178 HydrophobicContact CD2-CD1 4.33Å; G174-L178 PolarHBondContact O-N 2.88Å
179Q92.9Very high96.1Very high94 Ų9462 Ų6244%0.43931%0.305SS..SBendtrans-106.125.1176.3-56.1-178.939.800111L171 K175L171-Q179 PolarHBondContact O-NE2 2.86Å; K175-Q179 HydrophobicContact CG-CB 4.49Å; K175-Q179 HydrophobicContact CG-CG 4.48Å; K175-Q179 WeakPolarHBondContact O-CB 3.2Å; K175-Q179 PolarHBondContact O-N 3.45Å
180R94.1Very high96Very high81 Ų8159.1 Ų59.131%0.30630%0.296SS..  trans-102.3145.9172.181.7-179.7-165.2-111.72.3109.8E176 T177 E182 Y208E176-R180 WeakPolarHBondContact O-CD 3.34Å; T177-R180 PolarHBondContact O-NH1 2.86Å; R180-E182 IonicContact CZ-OE1 2.73Å; R180-E182 IonicContact NE-OE1 3.27Å; R180-E182 PolarHBondContact NE-OE1 2.83Å; R180-E182 IonicContact NH2-OE1 3.9Å; R180-E182 PolarHBondContact NH2-OE1 2.87Å; R180-Y208 HydrophobicContact CG-CD1 4.21Å; R180-Y208 WeakPolarHBondContact O-CD1 3.43Å
181A95.8Very high95.9Very high43 Ų4363 Ų6336%0.35531%0.314SS..  trans-119.2123.9163.600000108.5Y208 E263A181-Y208 CarbonylContact C-O 3.59Å; A181-Y208 VanDerWaalsContact CA-O 3.31Å; A181-Y208 WeakPolarHBondContact CA-O 3.44Å; A181-E263 HydrophobicContact CB-CG 4.35Å
182E96.6Very high95.7Very high57 Ų5767 Ų6727%0.26634%0.341SS..BIsolated β-bridgetrans-101.5115.1175.8-73.1-177.5-98.900109R180 F207 Y208 H262R180-E182 IonicContact CZ-OE1 2.73Å; R180-E182 IonicContact NE-OE1 3.27Å; R180-E182 PolarHBondContact NE-OE1 2.83Å; R180-E182 IonicContact NH2-OE1 3.9Å; R180-E182 PolarHBondContact NH2-OE1 2.87Å; E182-F207 WeakPolarHBondContact O-CA 3.46Å; E182-F207 VanDerWaalsContact O-CB 3.3Å; E182-F207 WeakPolarHBondContact O-CB 3.37Å; E182-Y208 PolarHBondContact N-O 3.11Å; E182-Y208 PolarHBondContact O-N 3Å; E182-Y208 VanDerWaalsContact O-N 3.13Å; E182-H262 PolarHBondContact O-CE1 2.92Å
183P97.6Very high95.4Very high65 Ų6566.3 Ų66.342%0.42234%0.34SS..  trans-68.5146.7-179.924.8-32.3000112.1G264 L265P183-G264 WeakPolarHBondContact CB-O 3.4Å; P183-L265 HydrophobicContact CB-CD2 3.84Å; P183-L265 HydrophobicContact CB-CG 4.49Å
184P98Very high95.1Very high10 Ų1066.4 Ų66.47%0.06535%0.345CS..  trans-63.5135.9178.526.1-34.9000112.5T186 A204 F207 I212 M260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.01Å; P184-T186 HydrophobicContact CG-CG2 4.09Å; P184-T186 PolarHBondContact O-N 3.02Å; P184-A204 HydrophobicContact CB-CB 3.84Å; P184-F207 HydrophobicContact CB-CB 3.99Å; P184-F207 HydrophobicContact CB-CD1 3.92Å; P184-F207 HydrophobicContact CB-CG 4.25Å; P184-I212 HydrophobicContact CB-CD1 4.26Å; P184-I212 HydrophobicContact CG-CD1 4.16Å; P184-M260 HydrophobicContact CB-SD 3.92Å; P184-M260 HydrophobicContact CG-SD 3.49Å; P184-M260 WeakPolarHBondContact CG-SD 3.48Å; P184-H262 HydrophobicContact CG-CB 4.4Å; P184-L265 HydrophobicContact CG-CD1 4.14Å; P184-L265 HydrophobicContact CG-CD2 4.42Å; P184-L265 HydrophobicContact CG-CG 4.42Å
185K97.8Very high94.8Very high144 Ų14473.4 Ų73.463%0.62638%0.382SS*.EExtended strand (participates in β ladder)trans-78.6109.7163.4-66.3155-172.5148.20107.5L205K185-L205 WeakPolarHBondContact CB-O 3.48Å; K185-L205 PolarHBondContact N-O 2.88Å; K185-L205 PolarHBondContact O-N 2.94Å; K185-L205 VanDerWaalsContact O-N 3.1Å
186T97.3Very high94.7Very high43 Ų4376 Ų7626%0.26440%0.395SS..EExtended strand (participates in β ladder)trans-107.3145.1-169.358.90000113.5P184 W203 M260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.01Å; P184-T186 HydrophobicContact CG-CG2 4.09Å; P184-T186 PolarHBondContact O-N 3.02Å; T186-W203 VanDerWaalsContact CA-O 3.3Å; T186-W203 WeakPolarHBondContact CA-O 3.44Å; T186-M260 HydrophobicContact CG2-CE 3.53Å; T186-M260 HydrophobicContact CG2-SD 3.41Å; T186-M260 WeakPolarHBondContact CG2-SD 3.26Å; T186-L269 HydrophobicContact CG2-CD1 4.08Å; T186-L271 HydrophobicContact CG2-CD1 4.02Å
187H96.1Very high94.8Very high83 Ų8372 Ų7238%0.38438%0.376SS..EExtended strand (participates in β ladder)trans-159.9156.7166.862.7-63.5000111W203H187-W203 VanDerWaalsContact CE1-CB 3.49Å; H187-W203 WeakPolarHBondContact CE1-CB 3.14Å; H187-W203 AromaticContact CE1-CD1 3.81Å; H187-W203 AromaticContact CE1-CG 3.63Å; H187-W203 PolarHBondContact N-O 3.38Å; H187-W203 AromaticContact NE2-CD1 3.66Å; H187-W203 AromaticContact NE2-CG 3.94Å; H187-W203 PolarHBondContact O-N 2.85Å
188V97.8Very high94.9Very high24 Ų2469.9 Ų69.915%0.14536%0.363CS..EExtended strand (participates in β ladder)trans-108.3130.6173.3-1790000109.2L200 R201 C202 W216 L271 S272 W273V188-L200 HydrophobicContact CG1-CB 4.39Å; V188-L200 HydrophobicContact CG1-CD2 4.49Å; V188-R201 WeakPolarHBondContact CA-O 3.43Å; V188-C202 HydrophobicContact CG2-CB 4.37Å; V188-W216 HydrophobicContact CG1-CH2 3.87Å; V188-W216 HydrophobicContact CG1-CZ2 4.32Å; V188-W216 HydrophobicContact CG2-CH2 4.34Å; V188-L271 HydrophobicContact CG2-CB 3.99Å; V188-S272 WeakPolarHBondContact CG2-O 3.22Å; V188-W273 HydrophobicContact CB-CB 4.48Å; V188-W273 HydrophobicContact CG1-CB 3.82Å
189T96.4Very high95.1Very high37 Ų3770.5 Ų70.523%0.22737%0.367CS..EExtended strand (participates in β ladder)trans-113.4135.4178.346.10000110.7H191 L200 R201 W203T189-H191 PolarHBondContact OG1-CE1 3.12Å; T189-L200 CarbonylContact O-C 3.57Å; T189-L200 WeakPolarHBondContact O-CA 3.3Å; T189-R201 PolarHBondContact N-O 2.82Å; T189-R201 PolarHBondContact O-N 2.88Å; T189-R201 PolarHBondContact OG1-O 2.67Å; T189-W203 PolarHBondContact OG1-NE1 3.48Å
190H95.7Very high95.3Very high57 Ų5766 Ų6626%0.26435%0.346SS..EExtended strand (participates in β ladder)trans-111.6125.6-177.6166.2-83.9000110.3A198 L200 W273H190-A198 VanDerWaalsContact NE2-CB 3.32Å; H190-A198 WeakPolarHBondContact NE2-CB 3.13Å; H190-L200 HydrophobicContact CB-CD2 3.91Å; H190-W273 HydrophobicContact CB-CD2 4.05Å; H190-W273 HydrophobicContact CB-CG 4.13Å; H190-W273 HydrophobicContact CB-CZ2 4.02Å; H190-W273 AromaticContact CG-CE2 3.83Å; H190-W273 AromaticContact CG-CZ2 3.84Å
191H94.3Very high95.5Very high82 Ų8264.2 Ų64.238%0.3834%0.339SS..EExtended strand (participates in β ladder)trans-125.6108.4-178.5-5678.4000109.4T189 L193 A198 T199T189-H191 PolarHBondContact OG1-CE1 3.12Å; H191-L193 PolarHBondContact O-N 3.31Å; H191-A198 CarbonylContact O-C 3.51Å; H191-A198 VanDerWaalsContact O-CA 3.32Å; H191-A198 WeakPolarHBondContact O-CA 3.45Å; H191-T199 PolarHBondContact N-O 2.88Å; H191-T199 PolarHBondContact O-N 2.81Å
192P93.5Very high95.6Very high96 Ų9662.1 Ų62.162%0.62332%0.323SS*.EExtended strand (participates in β ladder)trans-58.7133.9173.4-20.931.4000111.3
193L91.1Very high95.7Very high99 Ų9962 Ų6252%0.51832%0.32SS..  trans-103.2-37.8170.8-60.5-178.8000111H191 E197 V247H191-L193 PolarHBondContact O-N 3.31Å; L193-E197 HydrophobicContact CB-CB 4.49Å; L193-E197 WeakPolarHBondContact CB-O 3.45Å; L193-E197 PolarHBondContact N-O 3.24Å; L193-V247 HydrophobicContact CD1-CG1 4.18Å; L193-V247 HydrophobicContact CD1-CG2 4.2Å
194S92.1Very high95.7Very high55 Ų5559 Ų5939%0.38530%0.3SS..SBendtrans-153.4-178.2177.869.40000110.7H196 E197S194-H196 PolarHBondContact O-N 2.81Å; S194-H196 VanDerWaalsContact O-N 3.11Å; S194-H196 PolarHBondContact OG-N 3.01Å; S194-H196 VanDerWaalsContact OG-N 3.12Å; S194-E197 PolarHBondContact N-O 2.79Å; S194-E197 PolarHBondContact OG-N 3.15Å; S194-E197 VanDerWaalsContact OG-N 3.12Å
195D88.9Confident95.7Very high152 Ų15261.2 Ų61.281%0.81331%0.311SS*.SBendtrans-66.8-1.7170.1-61.9-31.1000113.4
196H92.8Very high95.7Very high144 Ų14454.9 Ų54.967%0.66729%0.287SS*.SBendtrans-126.5-17.1-174.4-56.7-20.2000113.7S194 P249 S250S194-H196 PolarHBondContact O-N 2.81Å; S194-H196 VanDerWaalsContact O-N 3.11Å; S194-H196 PolarHBondContact OG-N 3.01Å; S194-H196 VanDerWaalsContact OG-N 3.12Å; H196-P249 CarbonylContact O-C 3.59Å; H196-P249 WeakPolarHBondContact O-CA 3.31Å; H196-S250 PolarHBondContact O-N 3.04Å; H196-S250 PolarHBondContact O-OG 3.21Å
197E95.4Very high95.8Very high96 Ų9652.9 Ų52.945%0.44927%0.274SS..EExtended strand (participates in β ladder)trans-144144.3-172.4-66.4-179.9165.300112.3L193 S194 V247 V248 S250L193-E197 HydrophobicContact CB-CB 4.49Å; L193-E197 WeakPolarHBondContact CB-O 3.45Å; L193-E197 PolarHBondContact N-O 3.24Å; S194-E197 PolarHBondContact N-O 2.79Å; S194-E197 PolarHBondContact OG-N 3.15Å; S194-E197 VanDerWaalsContact OG-N 3.12Å; E197-V247 HydrophobicContact CB-CG1 4.12Å; E197-V247 HydrophobicContact CG-CG1 4.35Å; E197-V248 WeakPolarHBondContact CA-O 3.49Å; E197-S250 PolarHBondContact N-OG 3.02Å
198A95.6Very high95.8Very high1 Ų149.1 Ų49.11%0.00826%0.257CS..EExtended strand (participates in β ladder)trans-136.6154.7171.600000111.2H190 H191 V247 V248H190-A198 VanDerWaalsContact NE2-CB 3.32Å; H190-A198 WeakPolarHBondContact NE2-CB 3.13Å; H191-A198 CarbonylContact O-C 3.51Å; H191-A198 VanDerWaalsContact O-CA 3.32Å; H191-A198 WeakPolarHBondContact O-CA 3.45Å; A198-V247 WeakPolarHBondContact O-CA 3.36Å; A198-V248 PolarHBondContact N-O 3.21Å; A198-V248 PolarHBondContact O-N 2.81Å
199T97.1Very high95.8Very high17 Ų1748.9 Ų48.910%0.10426%0.256CS..EExtended strand (participates in β ladder)trans-92.9119.4167.9-51.10000110H191 A245 V246H191-T199 PolarHBondContact N-O 2.88Å; H191-T199 PolarHBondContact O-N 2.81Å; T199-A245 HydrophobicContact CG2-CB 3.81Å; T199-V246 WeakPolarHBondContact CA-O 3.46Å
200L97.8Very high95.9Very high0 Ų047.8 Ų47.80%025%0.25CS..EExtended strand (participates in β ladder)trans-88126.4161.1-62.2-174.3000108.8V188 T189 H190 W216 A245 V246 V248 E253 W273V188-L200 HydrophobicContact CG1-CB 4.39Å; V188-L200 HydrophobicContact CG1-CD2 4.49Å; T189-L200 CarbonylContact O-C 3.57Å; T189-L200 WeakPolarHBondContact O-CA 3.3Å; H190-L200 HydrophobicContact CB-CD2 3.91Å; L200-W216 HydrophobicContact CB-CH2 3.67Å; L200-W216 HydrophobicContact CB-CZ2 3.71Å; L200-W216 HydrophobicContact CB-CZ3 4.48Å; L200-W216 HydrophobicContact CD1-CH2 3.96Å; L200-W216 HydrophobicContact CD1-CZ3 4.15Å; L200-W216 HydrophobicContact CG-CH2 4.48Å; L200-A245 CarbonylContact O-C 3.57Å; L200-A245 WeakPolarHBondContact O-CA 3.42Å; L200-V246 HydrophobicContact CB-CG1 4.29Å; L200-V246 PolarHBondContact N-O 3.2Å; L200-V246 PolarHBondContact O-N 3.33Å; L200-V248 HydrophobicContact CD1-CG1 3.96Å; L200-V248 HydrophobicContact CD1-CG2 4.19Å; L200-V248 HydrophobicContact CG-CG1 4.02Å; L200-V248 HydrophobicContact CG-CG2 3.9Å; L200-E253 HydrophobicContact CD1-CB 4.15Å; L200-E253 HydrophobicContact CD2-CB 4.43Å; L200-E253 HydrophobicContact CD2-CG 4.37Å; L200-W273 HydrophobicContact CD1-CB 4.35Å; L200-W273 HydrophobicContact CD2-CB 3.84Å; L200-W273 HydrophobicContact CD2-CD2 4.4Å; L200-W273 HydrophobicContact CD2-CG 3.99Å
201R98Very high95.9Very high43 Ų4351.9 Ų51.916%0.16227%0.27CS..EExtended strand (participates in β ladder)trans-122.4113.2174.9-177.3176.5-72105.44.2110.2V188 T189 W203 E228 W243 A244 A245V188-R201 WeakPolarHBondContact CA-O 3.43Å; T189-R201 PolarHBondContact N-O 2.82Å; T189-R201 PolarHBondContact O-N 2.88Å; T189-R201 PolarHBondContact OG1-O 2.67Å; R201-W203 HydrophobicContact CG-CZ2 4.41Å; R201-E228 IonicContact NH2-OE2 2.67Å; R201-E228 PolarHBondContact NH2-OE2 3.46Å; R201-W243 HydrophobicContact CG-CB 4.03Å; R201-W243 HydrophobicContact CG-CD2 4.01Å; R201-W243 HydrophobicContact CG-CE3 3.77Å; R201-W243 HydrophobicContact CG-CG 4.18Å; R201-W243 HydrophobicContact CG-CZ3 4.49Å; R201-W243 VanDerWaalsContact NE-CE3 3.27Å; R201-A244 WeakPolarHBondContact CA-O 3.49Å; R201-A245 HydrophobicContact CB-CB 3.93Å; R201-A245 HydrophobicContact CG-CB 4.01Å
202C98.1Very high96.1Very high0 Ų048.4 Ų48.40%025%0.254CS..EExtended strand (participates in β ladder)trans-86.7125.8174.8-1780000109.5V188 W216 W243 A244 C258V188-C202 HydrophobicContact CG2-CB 4.37Å; C202-W216 HydrophobicContact CB-CH2 4.36Å; C202-W216 HydrophobicContact CB-CZ2 3.6Å; C202-W243 CarbonylContact O-C 3.58Å; C202-W243 WeakPolarHBondContact O-CA 3.37Å; C202-W243 WeakPolarHBondContact O-CB 3.46Å; C202-A244 PolarHBondContact N-O 2.73Å; C202-A244 PolarHBondContact O-N 3.4Å; C202-C258 HydrophobicContact CB-CB 3.46Å; C202-C258 VanDerWaalsContact CB-CB 3.46Å; C202-C258 WeakPolarHBondContact CB-SG 3.5Å; C202-C258 WeakPolarHBondContact SG-CB 3.35Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.21Å
203W98.3Very high96.3Very high55 Ų5546.8 Ų46.821%0.20824%0.242CC..EExtended strand (participates in β ladder)trans-110.7140.4-177.7-68.187.4000111.6T186 H187 T189 R201 L205 W243T186-W203 VanDerWaalsContact CA-O 3.3Å; T186-W203 WeakPolarHBondContact CA-O 3.44Å; H187-W203 VanDerWaalsContact CE1-CB 3.49Å; H187-W203 WeakPolarHBondContact CE1-CB 3.14Å; H187-W203 AromaticContact CE1-CD1 3.81Å; H187-W203 AromaticContact CE1-CG 3.63Å; H187-W203 PolarHBondContact N-O 3.38Å; H187-W203 AromaticContact NE2-CD1 3.66Å; H187-W203 AromaticContact NE2-CG 3.94Å; H187-W203 PolarHBondContact O-N 2.85Å; T189-W203 PolarHBondContact OG1-NE1 3.48Å; R201-W203 HydrophobicContact CG-CZ2 4.41Å; W203-L205 HydrophobicContact CE3-CD2 3.97Å; W203-L205 HydrophobicContact CZ3-CD2 4.5Å; W203-W243 HydrophobicContact CD2-CB 4Å; W203-W243 HydrophobicContact CD2-CG 4.38Å; W203-W243 HydrophobicContact CE3-CB 3.95Å; W203-W243 AromaticContact CE3-CD1 3.69Å; W203-W243 HydrophobicContact CE3-CG 4.1Å; W203-W243 HydrophobicContact CG-CB 4.33Å; W203-W243 AromaticContact CH2-CD1 3.76Å; W203-W243 HydrophobicContact CH2-CG 4.41Å; W203-W243 AromaticContact CH2-NE1 3.99Å; W203-W243 HydrophobicContact CZ3-CB 4.48Å; W203-W243 AromaticContact CZ3-CD1 3.36Å; W203-W243 HydrophobicContact CZ3-CG 4.13Å; W203-W243 AromaticContact CZ3-NE1 3.98Å
204A98.4Very high96.6Very high0 Ų042.4 Ų42.40%022%0.22CC..EExtended strand (participates in β ladder)trans-118124.2162.100000108.2P184 F207 I212 L214 Q241 K242 M260P184-A204 HydrophobicContact CB-CB 3.84Å; A204-F207 HydrophobicContact CB-CD1 3.93Å; A204-F207 HydrophobicContact CB-CE1 3.6Å; A204-F207 WeakPolarHBondContact O-CE1 3.5Å; A204-I212 HydrophobicContact CB-CD1 3.77Å; A204-L214 HydrophobicContact CB-CD1 4.14Å; A204-L214 HydrophobicContact CB-CD2 4.33Å; A204-Q241 VanDerWaalsContact O-CA 3.31Å; A204-Q241 WeakPolarHBondContact O-CA 3.23Å; A204-K242 PolarHBondContact N-O 2.79Å; A204-K242 PolarHBondContact O-N 3.18Å; A204-M260 HydrophobicContact CB-CE 3.86Å; A204-M260 HydrophobicContact CB-SD 3.81Å
205L98.3Very high96.8Very high57 Ų5741.9 Ų41.930%0.29821%0.214SC..EExtended strand (participates in β ladder)trans-133.2140.3-176.9-61.9177.2000111.4K185 W203 Q241K185-L205 WeakPolarHBondContact CB-O 3.48Å; K185-L205 PolarHBondContact N-O 2.88Å; K185-L205 PolarHBondContact O-N 2.94Å; K185-L205 VanDerWaalsContact O-N 3.1Å; W203-L205 HydrophobicContact CE3-CD2 3.97Å; W203-L205 HydrophobicContact CZ3-CD2 4.5Å; L205-Q241 HydrophobicContact CD2-CB 3.64Å
206G97.8Very high97.2Very high12 Ų1234.7 Ų34.712%0.12418%0.175CC..EExtended strand (participates in β ladder)trans71.838.2168.800000114.1T239 F240G206-T239 WeakPolarHBondContact CA-OG1 3.35Å; G206-F240 PolarHBondContact N-O 3.43Å
207F98Very high97.5Very high0 Ų029.6 Ų29.60%015%0.152CC..EExtended strand (participates in β ladder)trans-108.3159.2179.759.2-91000113E182 P184 A204 P209 I212 T232 T239 F240 K242 H262E182-F207 WeakPolarHBondContact O-CA 3.46Å; E182-F207 VanDerWaalsContact O-CB 3.3Å; E182-F207 WeakPolarHBondContact O-CB 3.37Å; P184-F207 HydrophobicContact CB-CB 3.99Å; P184-F207 HydrophobicContact CB-CD1 3.92Å; P184-F207 HydrophobicContact CB-CG 4.25Å; A204-F207 HydrophobicContact CB-CD1 3.93Å; A204-F207 HydrophobicContact CB-CE1 3.6Å; A204-F207 WeakPolarHBondContact O-CE1 3.5Å; F207-P209 WeakPolarHBondContact CD2-O 3.26Å; F207-I212 HydrophobicContact CD1-CD1 4.02Å; F207-I212 HydrophobicContact CD2-CB 4.41Å; F207-I212 HydrophobicContact CD2-CD1 4Å; F207-I212 HydrophobicContact CE1-CD1 3.91Å; F207-I212 HydrophobicContact CE2-CB 3.87Å; F207-I212 HydrophobicContact CE2-CD1 3.91Å; F207-I212 HydrophobicContact CE2-CG1 4.48Å; F207-I212 HydrophobicContact CE2-CG2 3.59Å; F207-I212 HydrophobicContact CG-CD1 4.08Å; F207-I212 HydrophobicContact CZ-CB 4.27Å; F207-I212 HydrophobicContact CZ-CD1 3.88Å; F207-I212 HydrophobicContact CZ-CG2 3.59Å; F207-T232 HydrophobicContact CE2-CG2 4.02Å; F207-T232 HydrophobicContact CZ-CG2 3.88Å; F207-T239 CarbonylContact O-C 3.57Å; F207-T239 WeakPolarHBondContact O-CA 3.16Å; F207-F240 VanDerWaalsContact CD1-O 3.31Å; F207-F240 WeakPolarHBondContact CD1-O 3.4Å; F207-F240 HydrophobicContact CD2-CB 3.9Å; F207-F240 HydrophobicContact CE1-CB 4.34Å; F207-F240 WeakPolarHBondContact CE1-O 3.24Å; F207-F240 HydrophobicContact CE2-CB 3.48Å; F207-F240 VanDerWaalsContact CE2-CB 3.48Å; F207-F240 HydrophobicContact CG-CB 4.47Å; F207-F240 HydrophobicContact CZ-CB 3.72Å; F207-F240 PolarHBondContact N-O 2.73Å; F207-F240 PolarHBondContact O-N 3.28Å; F207-K242 HydrophobicContact CE1-CB 4.38Å; F207-K242 HydrophobicContact CZ-CB 4.08Å; F207-H262 AromaticContact CD2-CD2 3.95Å; F207-H262 AromaticContact CD2-NE2 3.71Å
208Y97.6Very high97.6Very high4 Ų428.4 Ų28.42%0.01614%0.143CC..BIsolated β-bridgetrans-155.2137.1174.7178.3-84.3000109D29 T30 R180 A181 E182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 4.01Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.47Å; T30-Y208 PolarHBondContact OG1-OH 2.77Å; R180-Y208 HydrophobicContact CG-CD1 4.21Å; R180-Y208 WeakPolarHBondContact O-CD1 3.43Å; A181-Y208 CarbonylContact C-O 3.59Å; A181-Y208 VanDerWaalsContact CA-O 3.31Å; A181-Y208 WeakPolarHBondContact CA-O 3.44Å; E182-Y208 PolarHBondContact N-O 3.11Å; E182-Y208 PolarHBondContact O-N 3Å; E182-Y208 VanDerWaalsContact O-N 3.13Å; Y208-G238 WeakPolarHBondContact CD2-O 3.39Å; Y208-F240 HydrophobicContact CD2-CD2 4.45Å; Y208-F240 HydrophobicContact CD2-CE2 4.09Å; Y208-H262 PolarHBondContact O-CE1 2.73Å
209P96.9Very high97.5Very high19 Ų1933 Ų3312%0.12317%0.167CC..SBendcis-68.4178.20.130.1-37.1000113.1D29 F207 E211 H262D29-P209 VanDerWaalsContact OD2-CB 3.28Å; D29-P209 WeakPolarHBondContact OD2-CB 3.41Å; F207-P209 WeakPolarHBondContact CD2-O 3.26Å; P209-E211 VanDerWaalsContact C-N 3.35Å; P209-H262 PolarHBondContact O-NE2 2.99Å
210A97.4Very high97.2Very high14 Ų1434.4 Ų34.412%0.11619%0.186CC..SBendtrans-73.7-21.9-176.500000114.1D29 I212 T232 F240D29-A210 HydrophobicContact CB-CB 4.36Å; D29-A210 VanDerWaalsContact CG-CB 3.46Å; D29-A210 WeakPolarHBondContact OD1-CB 3.45Å; D29-A210 WeakPolarHBondContact OD2-CB 3.4Å; D29-A210 PolarHBondContact OD2-N 3.24Å; A210-I212 PolarHBondContact O-N 2.92Å; A210-T232 HydrophobicContact CB-CG2 4.27Å; A210-T232 WeakPolarHBondContact O-CG2 3.38Å; A210-F240 HydrophobicContact CB-CD1 3.73Å; A210-F240 HydrophobicContact CB-CD2 3.71Å; A210-F240 HydrophobicContact CB-CE1 3.79Å; A210-F240 HydrophobicContact CB-CE2 3.77Å; A210-F240 HydrophobicContact CB-CG 3.7Å; A210-F240 HydrophobicContact CB-CZ 3.82Å
211E97.3Very high97.1Very high144 Ų14440 Ų4067%0.67321%0.212SC*.  trans-66116.9178.8-174.750.8-120.100110.5P209 H262P209-E211 VanDerWaalsContact C-N 3.35Å; E211-H262 PolarHBondContact O-CD2 2.87Å; E211-H262 VanDerWaalsContact O-CD2 3.27Å
212I97.6Very high97Very high8 Ų842.3 Ų42.34%0.04123%0.227CC..  trans-155.6131.8-175.5-163.2172.8000110.7P184 A204 F207 A210 L214 K242 M260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.26Å; P184-I212 HydrophobicContact CG-CD1 4.16Å; A204-I212 HydrophobicContact CB-CD1 3.77Å; F207-I212 HydrophobicContact CD1-CD1 4.02Å; F207-I212 HydrophobicContact CD2-CB 4.41Å; F207-I212 HydrophobicContact CD2-CD1 4Å; F207-I212 HydrophobicContact CE1-CD1 3.91Å; F207-I212 HydrophobicContact CE2-CB 3.87Å; F207-I212 HydrophobicContact CE2-CD1 3.91Å; F207-I212 HydrophobicContact CE2-CG1 4.48Å; F207-I212 HydrophobicContact CE2-CG2 3.59Å; F207-I212 HydrophobicContact CG-CD1 4.08Å; F207-I212 HydrophobicContact CZ-CB 4.27Å; F207-I212 HydrophobicContact CZ-CD1 3.88Å; F207-I212 HydrophobicContact CZ-CG2 3.59Å; A210-I212 PolarHBondContact O-N 2.92Å; I212-L214 HydrophobicContact CD1-CD1 3.75Å; I212-L214 HydrophobicContact CG1-CD1 3.71Å; I212-L214 HydrophobicContact CG2-CD1 4.2Å; I212-K242 HydrophobicContact CG2-CB 4.3Å; I212-K242 HydrophobicContact CG2-CD 3.54Å; I212-M260 HydrophobicContact CD1-CG 4.24Å; I212-M260 HydrophobicContact CD1-SD 4.12Å; I212-M260 HydrophobicContact CG1-CG 4.44Å; I212-Q261 WeakPolarHBondContact CG1-O 3.41Å; I212-H262 HydrophobicContact CD1-CB 4.21Å; I212-H262 HydrophobicContact CG1-CB 4.03Å
213T97.4Very high96.8Very high63 Ų6342.8 Ų42.839%0.38723%0.23SC..EExtended strand (participates in β ladder)trans-102.6125174.4-66.70000110T215 M260 Q261T213-T215 HydrophobicContact CG2-CG2 4.23Å; T213-M260 WeakPolarHBondContact O-CA 3.48Å; T213-Q261 PolarHBondContact N-O 3.01Å; T213-Q261 PolarHBondContact O-N 3.36Å
214L97.3Very high96.3Very high7 Ų745.1 Ų45.14%0.03725%0.25CS..EExtended strand (participates in β ladder)trans-122123.5171.3-9067.4000108.2A204 I212 L229 K242 A244 H259 M260A204-L214 HydrophobicContact CB-CD1 4.14Å; A204-L214 HydrophobicContact CB-CD2 4.33Å; I212-L214 HydrophobicContact CD1-CD1 3.75Å; I212-L214 HydrophobicContact CG1-CD1 3.71Å; I212-L214 HydrophobicContact CG2-CD1 4.2Å; L214-L229 HydrophobicContact CB-CD1 4.08Å; L214-K242 HydrophobicContact CD1-CD 4.3Å; L214-A244 HydrophobicContact CB-CB 4.14Å; L214-A244 HydrophobicContact CD2-CB 4.24Å; L214-H259 WeakPolarHBondContact CA-O 3.35Å; L214-M260 HydrophobicContact CD1-CE 4.07Å; L214-M260 HydrophobicContact CD1-CG 3.79Å; L214-M260 HydrophobicContact CD1-SD 4.16Å; L214-M260 HydrophobicContact CD2-CE 4.24Å; L214-M260 HydrophobicContact CG-CE 3.98Å; L214-M260 HydrophobicContact CG-CG 4.32Å
215T97.2Very high95.8Very high43 Ų4354.4 Ų54.426%0.26429%0.294SS..EExtended strand (participates in β ladder)trans-129.7150.417160.40000111.1T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.23Å; T215-C258 CarbonylContact O-C 3.52Å; T215-C258 WeakPolarHBondContact O-CA 3.43Å; T215-H259 PolarHBondContact N-O 2.87Å; T215-H259 PolarHBondContact O-N 3.5Å
216W98Very high95.3Very high2 Ų257 Ų571%0.00831%0.308CS..EExtended strand (participates in β ladder)trans-100.1134166.1-83.8106.8000109.5V188 L200 C202 Q223 A244 V246 C258V188-W216 HydrophobicContact CG1-CH2 3.87Å; V188-W216 HydrophobicContact CG1-CZ2 4.32Å; V188-W216 HydrophobicContact CG2-CH2 4.34Å; L200-W216 HydrophobicContact CB-CH2 3.67Å; L200-W216 HydrophobicContact CB-CZ2 3.71Å; L200-W216 HydrophobicContact CB-CZ3 4.48Å; L200-W216 HydrophobicContact CD1-CH2 3.96Å; L200-W216 HydrophobicContact CD1-CZ3 4.15Å; L200-W216 HydrophobicContact CG-CH2 4.48Å; C202-W216 HydrophobicContact CB-CH2 4.36Å; C202-W216 HydrophobicContact CB-CZ2 3.6Å; W216-Q223 HydrophobicContact CB-CB 4.4Å; W216-Q223 PolarHBondContact O-N 3.03Å; W216-A244 PolarHBondContact NE1-O 3.38Å; W216-V246 HydrophobicContact CB-CB 4.43Å; W216-V246 HydrophobicContact CB-CG1 4.25Å; W216-V246 HydrophobicContact CD2-CB 4.44Å; W216-V246 HydrophobicContact CD2-CG1 3.54Å; W216-V246 HydrophobicContact CE3-CG1 4.02Å; W216-V246 HydrophobicContact CG-CB 4.05Å; W216-V246 HydrophobicContact CG-CG1 3.64Å; W216-V246 HydrophobicContact CZ2-CG1 4.3Å; W216-C258 HydrophobicContact CD2-CB 4.16Å; W216-C258 HydrophobicContact CE3-CB 4.06Å; W216-C258 HydrophobicContact CH2-CB 4.02Å; W216-C258 HydrophobicContact CZ2-CB 4.14Å; W216-C258 HydrophobicContact CZ3-CB 3.98Å
217Q97.6Very high95.1Very high36 Ų3657.6 Ų57.617%0.16831%0.309CS..EExtended strand (participates in β ladder)trans-117.5144.4170.7-69.9-172.5-8.200110.8E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.54Å; Q217-E221 VanDerWaalsContact CA-O 3.23Å; Q217-E221 WeakPolarHBondContact CA-O 3.32Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.22Å; Q217-D222 PolarHBondContact NE2-OD1 2.99Å; Q217-Y256 CarbonylContact O-C 3.55Å; Q217-Y256 VanDerWaalsContact O-CA 3.29Å; Q217-Y256 WeakPolarHBondContact O-CA 3.41Å; Q217-T257 PolarHBondContact N-O 2.94Å; Q217-T257 PolarHBondContact O-N 3.08Å; Q217-H259 WeakPolarHBondContact CB-NE2 3.22Å; Q217-H259 PolarHBondContact OE1-NE2 3.34Å
218R96.9Very high95Very high71 Ų7162.9 Ų62.927%0.26833%0.334SS..EExtended strand (participates in β ladder)trans-116117.6169.7-174.6-166.663.2-138.4-11.3108.7G220 E221 Q223 R255 Y256R218-G220 PolarHBondContact O-N 3.45Å; R218-E221 PolarHBondContact N-O 3.2Å; R218-E221 IonicContact NH2-OE2 2.75Å; R218-E221 PolarHBondContact NH2-OE2 3.15Å; R218-E221 PolarHBondContact O-N 3.17Å; R218-Q223 HydrophobicContact CB-CG 3.85Å; R218-Q223 VanDerWaalsContact CZ-OE1 3.27Å; R218-R255 WeakPolarHBondContact CA-O 3.44Å; R218-R255 HydrophobicContact CG-CB 4.33Å; R218-Y256 HydrophobicContact CB-CD1 4.06Å; R218-Y256 HydrophobicContact CB-CE1 3.91Å; R218-Y256 HydrophobicContact CG-CD1 4.37Å; R218-Y256 HydrophobicContact CG-CD2 4.26Å; R218-Y256 HydrophobicContact CG-CE1 4.07Å; R218-Y256 HydrophobicContact CG-CE2 3.92Å; R218-Y256 HydrophobicContact CG-CG 4.48Å
219D94.6Very high94.9Very high97 Ų9767 Ų6752%0.51936%0.356SS..THydrogen-bonded Turntrans52.918.2-173.8-42.4-75.9000114.9R255D219-R255 VanDerWaalsContact CG-NH2 3.29Å; D219-R255 PolarHBondContact N-O 3.2Å; D219-R255 IonicContact OD1-CZ 2.67Å; D219-R255 IonicContact OD1-NE 3.1Å; D219-R255 PolarHBondContact OD1-NE 3.16Å; D219-R255 IonicContact OD1-NH2 2.77Å; D219-R255 PolarHBondContact OD1-NH2 3.39Å; D219-R255 IonicContact OD2-CZ 3.41Å; D219-R255 IonicContact OD2-NE 3.26Å; D219-R255 PolarHBondContact OD2-NE 3.26Å; D219-R255 VanDerWaalsContact OD2-NE 3.17Å; D219-R255 IonicContact OD2-NH2 3.02Å; D219-R255 PolarHBondContact OD2-NH2 2.83Å
220G91.4Very high94.9Very high48 Ų4867.7 Ų67.750%0.49536%0.36SS..THydrogen-bonded Turntrans102.5-4-174.500000115.8R218R218-G220 PolarHBondContact O-N 3.45Å
221E95.4Very high94.9Very high118 Ų11875.2 Ų75.255%0.55139%0.392SS*.EExtended strand (participates in β ladder)trans-92.8124.6175.4-60-177.414800111.4Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.54Å; Q217-E221 VanDerWaalsContact CA-O 3.23Å; Q217-E221 WeakPolarHBondContact CA-O 3.32Å; R218-E221 PolarHBondContact N-O 3.2Å; R218-E221 IonicContact NH2-OE2 2.75Å; R218-E221 PolarHBondContact NH2-OE2 3.15Å; R218-E221 PolarHBondContact O-N 3.17Å; E221-Q223 PolarHBondContact O-N 3.43Å; E221-Q223 PolarHBondContact O-NE2 2.84Å
222D95.3Very high94.9Very high90 Ų9070.6 Ų70.648%0.48137%0.374SS..EExtended strand (participates in β ladder)trans-61.3129.1176.3-69.8-42.8000112.3Q217 T224Q217-D222 WeakPolarHBondContact CG-OD1 3.22Å; Q217-D222 PolarHBondContact NE2-OD1 2.99Å; D222-T224 PolarHBondContact O-N 2.81Å
223Q94.6Very high94.9Very high11 Ų1174.8 Ų74.85%0.05139%0.389CS..  trans-99.239.1-176.7-54.1-62-88.500112W216 R218 E221 Q225 D226 T227 Y256W216-Q223 HydrophobicContact CB-CB 4.4Å; W216-Q223 PolarHBondContact O-N 3.03Å; R218-Q223 HydrophobicContact CB-CG 3.85Å; R218-Q223 VanDerWaalsContact CZ-OE1 3.27Å; E221-Q223 PolarHBondContact O-N 3.43Å; E221-Q223 PolarHBondContact O-NE2 2.84Å; Q223-Q225 VanDerWaalsContact C-N 3.29Å; Q223-Q225 PolarHBondContact O-N 3.41Å; Q223-D226 PolarHBondContact O-N 3.14Å; Q223-D226 VanDerWaalsContact O-N 3.13Å; Q223-T227 WeakPolarHBondContact O-CB 3.5Å; Q223-T227 PolarHBondContact O-N 3.49Å; Q223-T227 PolarHBondContact O-OG1 3.18Å; Q223-Y256 HydrophobicContact CG-CE1 4.26Å
224T88.2Confident94.9Very high104 Ų10476 Ų7664%0.63840%0.398SS*.THydrogen-bonded Turntrans-60.7-30.3-165.9-440000114.6D222D222-T224 PolarHBondContact O-N 2.81Å
225Q88Confident94.9Very high194 Ų19478 Ų7891%0.90742%0.415SS*.THydrogen-bonded Turntrans-80.6-30.5179.1-62.9-1742000112.8Q223 T227Q223-Q225 VanDerWaalsContact C-N 3.29Å; Q223-Q225 PolarHBondContact O-N 3.41Å; Q225-T227 VanDerWaalsContact C-N 3.34Å
226D85.9Confident94.7Very high112 Ų11279.5 Ų79.560%0.59944%0.44SS*.SBendtrans-92.84.7-178.9-53-65.9000112.6Q223Q223-D226 PolarHBondContact O-N 3.14Å; Q223-D226 VanDerWaalsContact O-N 3.13Å
227T93.8Very high94.5Very high25 Ų2584.9 Ų84.915%0.15347%0.469CS..EExtended strand (participates in β ladder)trans-100.3117.1-177.7-63.30000111.9Q223 Q225 L229 A244 A245Q223-T227 WeakPolarHBondContact O-CB 3.5Å; Q223-T227 PolarHBondContact O-N 3.49Å; Q223-T227 PolarHBondContact O-OG1 3.18Å; Q225-T227 VanDerWaalsContact C-N 3.34Å; T227-L229 HydrophobicContact CG2-CB 4.29Å; T227-L229 PolarHBondContact O-N 3.05Å; T227-L229 VanDerWaalsContact O-N 3.15Å; T227-A244 HydrophobicContact CG2-CB 3.96Å; T227-A245 CarbonylContact C-O 3.57Å; T227-A245 VanDerWaalsContact CA-O 3.31Å; T227-A245 WeakPolarHBondContact CA-O 3.28Å
228E96.3Very high94.2Very high110 Ų11085.2 Ų85.251%0.51448%0.482SS..EExtended strand (participates in β ladder)trans-73.596.1163.7-175.8-171.7-153.400109.1R201 W243 A244 A245R201-E228 IonicContact NH2-OE2 2.67Å; R201-E228 PolarHBondContact NH2-OE2 3.46Å; E228-W243 HydrophobicContact CB-CZ3 4.29Å; E228-W243 HydrophobicContact CG-CH2 3.94Å; E228-W243 HydrophobicContact CG-CZ3 3.75Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.47Å; E228-W243 WeakPolarHBondContact OE2-CZ3 3.46Å; E228-A244 CarbonylContact O-C 3.56Å; E228-A244 WeakPolarHBondContact O-CA 3.22Å; E228-A245 HydrophobicContact CB-CB 4.3Å; E228-A245 PolarHBondContact N-O 2.8Å; E228-A245 PolarHBondContact O-N 2.76Å
229L96.5Very high94.3Very high91 Ų9182.2 Ų82.248%0.47647%0.472SS..EExtended strand (participates in β ladder)trans-103120176.5-175.469.4000110.4L214 T227 A244L214-L229 HydrophobicContact CB-CD1 4.08Å; T227-L229 HydrophobicContact CG2-CB 4.29Å; T227-L229 PolarHBondContact O-N 3.05Å; T227-L229 VanDerWaalsContact O-N 3.15Å; L229-A244 HydrophobicContact CD1-CB 3.74Å
230V96.8Very high94.4Very high34 Ų3478.9 Ų78.921%0.20645%0.453CS..PPolyproline II helixtrans-84.9154175.6-63.70000112.8K242 W243V230-K242 HydrophobicContact CG2-CG 4.43Å; V230-K242 WeakPolarHBondContact O-CE 3.48Å; V230-K242 WeakPolarHBondContact O-CG 3.2Å; V230-K242 PolarHBondContact O-NZ 3.41Å; V230-W243 HydrophobicContact CG1-CD2 4.04Å; V230-W243 HydrophobicContact CG1-CE3 4.28Å; V230-W243 HydrophobicContact CG1-CH2 3.72Å; V230-W243 HydrophobicContact CG1-CZ2 3.42Å; V230-W243 VanDerWaalsContact CG1-CZ2 3.42Å; V230-W243 HydrophobicContact CG1-CZ3 4.12Å; V230-W243 HydrophobicContact CG2-CD2 3.84Å; V230-W243 HydrophobicContact CG2-CG 3.82Å; V230-W243 WeakPolarHBondContact CG2-O 3.11Å; V230-W243 PolarHBondContact N-O 3.08Å
231E97Very high94.8Very high171 Ų17178.6 Ų78.680%0.79944%0.438SS*.PPolyproline II helixtrans-54.9148.5165.9-66.9-176164.900111.3R233E231-R233 PolarHBondContact O-N 2.81Å
232T98Very high94.9Very high47 Ų4774.1 Ų74.129%0.28842%0.417SS..PPolyproline II helixtrans-71.9126174.5-53.60000108.5F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.02Å; F207-T232 HydrophobicContact CZ-CG2 3.88Å; A210-T232 HydrophobicContact CB-CG2 4.27Å; A210-T232 WeakPolarHBondContact O-CG2 3.38Å; T232-F240 HydrophobicContact CG2-CB 3.89Å; T232-F240 HydrophobicContact CG2-CD1 4.03Å; T232-F240 HydrophobicContact CG2-CG 4.25Å; T232-K242 WeakPolarHBondContact OG1-CD 3.42Å; T232-K242 PolarHBondContact OG1-NZ 3.22Å
233R97.4Very high95Very high97 Ų9771 Ų7137%0.36640%0.398SS..EExtended strand (participates in β ladder)trans-123.5146.6-174.670.8-163.7-176.7-1692.6111.1E231 Q241E231-R233 PolarHBondContact O-N 2.81Å; R233-Q241 HydrophobicContact CG-CG 3.68Å; R233-Q241 PolarHBondContact N-O 3.4Å; R233-Q241 VanDerWaalsContact NE-CD 3.27Å; R233-Q241 VanDerWaalsContact O-CG 3.26Å; R233-Q241 WeakPolarHBondContact O-CG 3.46Å; R233-Q241 PolarHBondContact O-N 2.76Å
234P97.4Very high95.2Very high87 Ų8770.4 Ų70.457%0.56540%0.396SS*.EExtended strand (participates in β ladder)trans-67152.9177.127.8-34.8000111.7F240 Q241P234-F240 HydrophobicContact CB-CD1 4.42Å; P234-F240 HydrophobicContact CB-CE1 4.17Å; P234-Q241 PolarHBondContact O-NE2 2.78Å; P234-Q241 VanDerWaalsContact O-NE2 3.13Å
235A96.7Very high95.6Very high49 Ų4965.6 Ų65.641%0.40537%0.366SS..  trans-90.1-22.4168.500000112.5T239 Q241A235-T239 PolarHBondContact N-O 2.99Å; A235-Q241 HydrophobicContact CB-CG 4.47Å
236G93.6Very high96.1Very high76 Ų7656.5 Ų56.578%0.78432%0.324SS*.SBendtrans100-7.4178.100000115
237D93.1Very high96.6Very high114 Ų11454.5 Ų54.561%0.6132%0.316SS*.SBendtrans-97.93.3174578.2000113.3T239D237-T239 WeakPolarHBondContact OD1-CB 3.38Å; D237-T239 PolarHBondContact OD1-N 2.98Å; D237-T239 PolarHBondContact OD1-OG1 3.24Å; D237-T239 PolarHBondContact OD2-OG1 2.89Å
238G92.2Very high96.8Very high43 Ų4353.3 Ų53.344%0.44331%0.309SS..SBendtrans99.4-7.6-172.400000114.1Y208Y208-G238 WeakPolarHBondContact CD2-O 3.39Å
239T97.1Very high96.7Very high9 Ų950.4 Ų50.46%0.05530%0.299CS..  trans-99.8172.1175.274.20000112.5G206 F207 A235 D237G206-T239 WeakPolarHBondContact CA-OG1 3.35Å; F207-T239 CarbonylContact O-C 3.57Å; F207-T239 WeakPolarHBondContact O-CA 3.16Å; A235-T239 PolarHBondContact N-O 2.99Å; D237-T239 WeakPolarHBondContact OD1-CB 3.38Å; D237-T239 PolarHBondContact OD1-N 2.98Å; D237-T239 PolarHBondContact OD1-OG1 3.24Å; D237-T239 PolarHBondContact OD2-OG1 2.89Å
240F98.3Very high96.5Very high27 Ų2748.7 Ų48.712%0.11830%0.295CS..EExtended strand (participates in β ladder)trans-120.1163.6-176.6-66.5-85.8000112.7D29 G206 F207 Y208 A210 T232 P234D29-F240 HydrophobicContact CB-CE2 3.72Å; D29-F240 HydrophobicContact CB-CZ 3.77Å; G206-F240 PolarHBondContact N-O 3.43Å; F207-F240 VanDerWaalsContact CD1-O 3.31Å; F207-F240 WeakPolarHBondContact CD1-O 3.4Å; F207-F240 HydrophobicContact CD2-CB 3.9Å; F207-F240 HydrophobicContact CE1-CB 4.34Å; F207-F240 WeakPolarHBondContact CE1-O 3.24Å; F207-F240 HydrophobicContact CE2-CB 3.48Å; F207-F240 VanDerWaalsContact CE2-CB 3.48Å; F207-F240 HydrophobicContact CG-CB 4.47Å; F207-F240 HydrophobicContact CZ-CB 3.72Å; F207-F240 PolarHBondContact N-O 2.73Å; F207-F240 PolarHBondContact O-N 3.28Å; Y208-F240 HydrophobicContact CD2-CD2 4.45Å; Y208-F240 HydrophobicContact CD2-CE2 4.09Å; A210-F240 HydrophobicContact CB-CD1 3.73Å; A210-F240 HydrophobicContact CB-CD2 3.71Å; A210-F240 HydrophobicContact CB-CE1 3.79Å; A210-F240 HydrophobicContact CB-CE2 3.77Å; A210-F240 HydrophobicContact CB-CG 3.7Å; A210-F240 HydrophobicContact CB-CZ 3.82Å; T232-F240 HydrophobicContact CG2-CB 3.89Å; T232-F240 HydrophobicContact CG2-CD1 4.03Å; T232-F240 HydrophobicContact CG2-CG 4.25Å; P234-F240 HydrophobicContact CB-CD1 4.42Å; P234-F240 HydrophobicContact CB-CE1 4.17Å
241Q98.3Very high96.3Very high42 Ų4250.4 Ų50.420%0.19632%0.319CS..EExtended strand (participates in β ladder)trans-143.8143.2177.738.3161.1-25.200110.1A204 L205 R233 P234 A235A204-Q241 VanDerWaalsContact O-CA 3.31Å; A204-Q241 WeakPolarHBondContact O-CA 3.23Å; L205-Q241 HydrophobicContact CD2-CB 3.64Å; R233-Q241 HydrophobicContact CG-CG 3.68Å; R233-Q241 PolarHBondContact N-O 3.4Å; R233-Q241 VanDerWaalsContact NE-CD 3.27Å; R233-Q241 VanDerWaalsContact O-CG 3.26Å; R233-Q241 WeakPolarHBondContact O-CG 3.46Å; R233-Q241 PolarHBondContact O-N 2.76Å; P234-Q241 PolarHBondContact O-NE2 2.78Å; P234-Q241 VanDerWaalsContact O-NE2 3.13Å; A235-Q241 HydrophobicContact CB-CG 4.47Å
242K98.5Very high96.1Very high23 Ų2345.4 Ų45.410%0.130%0.296CS..EExtended strand (participates in β ladder)trans-150.8158.4177.7-160.8-175.9-170.465.70109A204 F207 I212 L214 V230 T232A204-K242 PolarHBondContact N-O 2.79Å; A204-K242 PolarHBondContact O-N 3.18Å; F207-K242 HydrophobicContact CE1-CB 4.38Å; F207-K242 HydrophobicContact CZ-CB 4.08Å; I212-K242 HydrophobicContact CG2-CB 4.3Å; I212-K242 HydrophobicContact CG2-CD 3.54Å; L214-K242 HydrophobicContact CD1-CD 4.3Å; V230-K242 HydrophobicContact CG2-CG 4.43Å; V230-K242 WeakPolarHBondContact O-CE 3.48Å; V230-K242 WeakPolarHBondContact O-CG 3.2Å; V230-K242 PolarHBondContact O-NZ 3.41Å; T232-K242 WeakPolarHBondContact OG1-CD 3.42Å; T232-K242 PolarHBondContact OG1-NZ 3.22Å
243W98.1Very high96Very high24 Ų2444.1 Ų44.19%0.09129%0.287CS..EExtended strand (participates in β ladder)trans-148.2157.9168.355.3-97.1000111.6R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 4.03Å; R201-W243 HydrophobicContact CG-CD2 4.01Å; R201-W243 HydrophobicContact CG-CE3 3.77Å; R201-W243 HydrophobicContact CG-CG 4.18Å; R201-W243 HydrophobicContact CG-CZ3 4.49Å; R201-W243 VanDerWaalsContact NE-CE3 3.27Å; C202-W243 CarbonylContact O-C 3.58Å; C202-W243 WeakPolarHBondContact O-CA 3.37Å; C202-W243 WeakPolarHBondContact O-CB 3.46Å; W203-W243 HydrophobicContact CD2-CB 4Å; W203-W243 HydrophobicContact CD2-CG 4.38Å; W203-W243 HydrophobicContact CE3-CB 3.95Å; W203-W243 AromaticContact CE3-CD1 3.69Å; W203-W243 HydrophobicContact CE3-CG 4.1Å; W203-W243 HydrophobicContact CG-CB 4.33Å; W203-W243 AromaticContact CH2-CD1 3.76Å; W203-W243 HydrophobicContact CH2-CG 4.41Å; W203-W243 AromaticContact CH2-NE1 3.99Å; W203-W243 HydrophobicContact CZ3-CB 4.48Å; W203-W243 AromaticContact CZ3-CD1 3.36Å; W203-W243 HydrophobicContact CZ3-CG 4.13Å; W203-W243 AromaticContact CZ3-NE1 3.98Å; E228-W243 HydrophobicContact CB-CZ3 4.29Å; E228-W243 HydrophobicContact CG-CH2 3.94Å; E228-W243 HydrophobicContact CG-CZ3 3.75Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.47Å; E228-W243 WeakPolarHBondContact OE2-CZ3 3.46Å; V230-W243 HydrophobicContact CG1-CD2 4.04Å; V230-W243 HydrophobicContact CG1-CE3 4.28Å; V230-W243 HydrophobicContact CG1-CH2 3.72Å; V230-W243 HydrophobicContact CG1-CZ2 3.42Å; V230-W243 VanDerWaalsContact CG1-CZ2 3.42Å; V230-W243 HydrophobicContact CG1-CZ3 4.12Å; V230-W243 HydrophobicContact CG2-CD2 3.84Å; V230-W243 HydrophobicContact CG2-CG 3.82Å; V230-W243 WeakPolarHBondContact CG2-O 3.11Å; V230-W243 PolarHBondContact N-O 3.08Å; W243-A245 HydrophobicContact CE3-CB 3.94Å; W243-A245 HydrophobicContact CZ3-CB 3.67Å
244A98.1Very high95.8Very high0 Ų044.6 Ų44.60%029%0.293CS..EExtended strand (participates in β ladder)trans-126.5130.9172.400000108.2R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.49Å; C202-A244 PolarHBondContact N-O 2.73Å; C202-A244 PolarHBondContact O-N 3.4Å; L214-A244 HydrophobicContact CB-CB 4.14Å; L214-A244 HydrophobicContact CD2-CB 4.24Å; W216-A244 PolarHBondContact NE1-O 3.38Å; T227-A244 HydrophobicContact CG2-CB 3.96Å; E228-A244 CarbonylContact O-C 3.56Å; E228-A244 WeakPolarHBondContact O-CA 3.22Å; L229-A244 HydrophobicContact CD1-CB 3.74Å
245A97.7Very high95.7Very high2 Ų245.7 Ų45.72%0.01729%0.286CS..EExtended strand (participates in β ladder)trans-122.7145.517700000111.9T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.81Å; L200-A245 CarbonylContact O-C 3.57Å; L200-A245 WeakPolarHBondContact O-CA 3.42Å; R201-A245 HydrophobicContact CB-CB 3.93Å; R201-A245 HydrophobicContact CG-CB 4.01Å; T227-A245 CarbonylContact C-O 3.57Å; T227-A245 VanDerWaalsContact CA-O 3.31Å; T227-A245 WeakPolarHBondContact CA-O 3.28Å; E228-A245 HydrophobicContact CB-CB 4.3Å; E228-A245 PolarHBondContact N-O 2.8Å; E228-A245 PolarHBondContact O-N 2.76Å; W243-A245 HydrophobicContact CE3-CB 3.94Å; W243-A245 HydrophobicContact CZ3-CB 3.67Å
246V97.6Very high95.7Very high3 Ų343.9 Ų43.92%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-137.2142.4177.663.40000109.1T199 L200 W216 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.46Å; L200-V246 HydrophobicContact CB-CG1 4.29Å; L200-V246 PolarHBondContact N-O 3.2Å; L200-V246 PolarHBondContact O-N 3.33Å; W216-V246 HydrophobicContact CB-CB 4.43Å; W216-V246 HydrophobicContact CB-CG1 4.25Å; W216-V246 HydrophobicContact CD2-CB 4.44Å; W216-V246 HydrophobicContact CD2-CG1 3.54Å; W216-V246 HydrophobicContact CE3-CG1 4.02Å; W216-V246 HydrophobicContact CG-CB 4.05Å; W216-V246 HydrophobicContact CG-CG1 3.64Å; W216-V246 HydrophobicContact CZ2-CG1 4.3Å; V246-V248 HydrophobicContact CG1-CG1 3.85Å; V246-Y256 HydrophobicContact CG1-CD1 3.98Å; V246-Y256 HydrophobicContact CG1-CE1 4.4Å; V246-Y256 HydrophobicContact CG2-CD1 4.31Å; V246-Y256 HydrophobicContact CG2-CE1 3.96Å
247V97.1Very high95.9Very high70 Ų7041.7 Ų41.742%0.42424%0.24SC..EExtended strand (participates in β ladder)trans-84.9128.6171.7-178.40000108.4L193 E197 A198L193-V247 HydrophobicContact CD1-CG1 4.18Å; L193-V247 HydrophobicContact CD1-CG2 4.2Å; E197-V247 HydrophobicContact CB-CG1 4.12Å; E197-V247 HydrophobicContact CG-CG1 4.35Å; A198-V247 WeakPolarHBondContact O-CA 3.36Å
248V96.3Very high96.2Very high1 Ų136.3 Ų36.31%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-125.3143.8-176.8-49.50000110.4E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.49Å; A198-V248 PolarHBondContact N-O 3.21Å; A198-V248 PolarHBondContact O-N 2.81Å; L200-V248 HydrophobicContact CD1-CG1 3.96Å; L200-V248 HydrophobicContact CD1-CG2 4.19Å; L200-V248 HydrophobicContact CG-CG1 4.02Å; L200-V248 HydrophobicContact CG-CG2 3.9Å; V246-V248 HydrophobicContact CG1-CG1 3.85Å; V248-E253 HydrophobicContact CG2-CG 3.92Å; V248-Y256 HydrophobicContact CB-CD2 3.95Å; V248-Y256 HydrophobicContact CB-CE2 3.69Å; V248-Y256 HydrophobicContact CB-CG 4.48Å; V248-Y256 HydrophobicContact CG1-CD1 3.69Å; V248-Y256 HydrophobicContact CG1-CD2 3.58Å; V248-Y256 HydrophobicContact CG1-CE1 3.69Å; V248-Y256 HydrophobicContact CG1-CE2 3.61Å; V248-Y256 HydrophobicContact CG1-CG 3.62Å
249P96Very high96.4Very high49 Ų4937.1 Ų37.132%0.31820%0.203SC..EExtended strand (participates in β ladder)trans-65.3139.3170.5-19.332.1000111.1H196 G251 Q252H196-P249 CarbonylContact O-C 3.59Å; H196-P249 WeakPolarHBondContact O-CA 3.31Å; P249-G251 PolarHBondContact O-N 2.81Å; P249-Q252 HydrophobicContact CB-CB 4.43Å; P249-Q252 HydrophobicContact CB-CG 4.21Å; P249-Q252 WeakPolarHBondContact O-CB 3.4Å; P249-Q252 PolarHBondContact O-N 3.01Å
250S92.1Very high96.4Very high54 Ų5436.7 Ų36.738%0.37820%0.201SC..THydrogen-bonded Turntrans-57.7133.9178.3-60.10000111.9H196 E197 Q252 E253H196-S250 PolarHBondContact O-N 3.04Å; H196-S250 PolarHBondContact O-OG 3.21Å; E197-S250 PolarHBondContact N-OG 3.02Å; S250-Q252 VanDerWaalsContact C-N 3.31Å; S250-E253 WeakPolarHBondContact CA-OE1 3.38Å
251G90.9Very high96.4Very high70 Ų7040.8 Ų40.872%0.72222%0.22SC*.THydrogen-bonded Turntrans81.11.8-174.800000114.8P249 E253P249-G251 PolarHBondContact O-N 2.81Å; G251-E253 WeakPolarHBondContact CA-OE2 3.27Å; G251-E253 VanDerWaalsContact N-CD 3.29Å; G251-E253 PolarHBondContact N-OE1 3.31Å; G251-E253 PolarHBondContact N-OE2 2.87Å; G251-E253 VanDerWaalsContact N-OE2 3.11Å
252Q94.5Very high96.4Very high66 Ų6639.6 Ų39.631%0.30822%0.215SC..  trans-109.55.2175-59.2-164.253.500113.5P249 S250 Q254 R255 Y256P249-Q252 HydrophobicContact CB-CB 4.43Å; P249-Q252 HydrophobicContact CB-CG 4.21Å; P249-Q252 WeakPolarHBondContact O-CB 3.4Å; P249-Q252 PolarHBondContact O-N 3.01Å; S250-Q252 VanDerWaalsContact C-N 3.31Å; Q252-Q254 PolarHBondContact O-N 3.02Å; Q252-Q254 VanDerWaalsContact O-N 3.13Å; Q252-R255 WeakPolarHBondContact O-CB 3.38Å; Q252-R255 PolarHBondContact O-N 3.21Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.24Å
253E94.3Very high96.2Very high20 Ų2045.2 Ų45.29%0.09324%0.241CC..G310 helixtrans-56.5-35.6-172.9-54.178.8-17300112.5L200 V248 S250 G251 R255 Y256 W273L200-E253 HydrophobicContact CD1-CB 4.15Å; L200-E253 HydrophobicContact CD2-CB 4.43Å; L200-E253 HydrophobicContact CD2-CG 4.37Å; V248-E253 HydrophobicContact CG2-CG 3.92Å; S250-E253 WeakPolarHBondContact CA-OE1 3.38Å; G251-E253 WeakPolarHBondContact CA-OE2 3.27Å; G251-E253 VanDerWaalsContact N-CD 3.29Å; G251-E253 PolarHBondContact N-OE1 3.31Å; G251-E253 PolarHBondContact N-OE2 2.87Å; G251-E253 VanDerWaalsContact N-OE2 3.11Å; E253-R255 PolarHBondContact O-N 2.82Å; E253-Y256 PolarHBondContact O-N 3.32Å; E253-Y256 VanDerWaalsContact O-N 3.12Å; E253-W273 HydrophobicContact CB-CD2 4.47Å; E253-W273 HydrophobicContact CB-CE3 3.46Å; E253-W273 VanDerWaalsContact CB-CE3 3.46Å; E253-W273 HydrophobicContact CB-CZ3 3.9Å; E253-W273 HydrophobicContact CG-CE3 3.73Å; E253-W273 HydrophobicContact CG-CZ3 3.76Å
254Q94.1Very high96.1Very high107 Ų10745.1 Ų45.150%0.525%0.248SC..G310 helixtrans-70.5-11.9179.5-59.7-56.8-4300114.2Q252 Y256 W273Q252-Q254 PolarHBondContact O-N 3.02Å; Q252-Q254 VanDerWaalsContact O-N 3.13Å; Q254-Y256 VanDerWaalsContact C-N 3.32Å; Q254-W273 PolarHBondContact NE2-O 2.96Å
255R95.9Very high96Very high110 Ų11046.8 Ų46.842%0.41526%0.257SS..G310 helixtrans-81-16.2172.3-58.3177.670.4-173.95.8112.3R218 D219 Q252 E253R218-R255 WeakPolarHBondContact CA-O 3.44Å; R218-R255 HydrophobicContact CG-CB 4.33Å; D219-R255 VanDerWaalsContact CG-NH2 3.29Å; D219-R255 PolarHBondContact N-O 3.2Å; D219-R255 IonicContact OD1-CZ 2.67Å; D219-R255 IonicContact OD1-NE 3.1Å; D219-R255 PolarHBondContact OD1-NE 3.16Å; D219-R255 IonicContact OD1-NH2 2.77Å; D219-R255 PolarHBondContact OD1-NH2 3.39Å; D219-R255 IonicContact OD2-CZ 3.41Å; D219-R255 IonicContact OD2-NE 3.26Å; D219-R255 PolarHBondContact OD2-NE 3.26Å; D219-R255 VanDerWaalsContact OD2-NE 3.17Å; D219-R255 IonicContact OD2-NH2 3.02Å; D219-R255 PolarHBondContact OD2-NH2 2.83Å; Q252-R255 WeakPolarHBondContact O-CB 3.38Å; Q252-R255 PolarHBondContact O-N 3.21Å; E253-R255 PolarHBondContact O-N 2.82Å
256Y97.1Very high95.8Very high12 Ų1256.2 Ų56.25%0.04730%0.3CS..EExtended strand (participates in β ladder)trans-98.6129.2-177-70.6-101.7000110.6Q217 R218 Q223 V246 V248 Q252 E253 Q254Q217-Y256 CarbonylContact O-C 3.55Å; Q217-Y256 VanDerWaalsContact O-CA 3.29Å; Q217-Y256 WeakPolarHBondContact O-CA 3.41Å; R218-Y256 HydrophobicContact CB-CD1 4.06Å; R218-Y256 HydrophobicContact CB-CE1 3.91Å; R218-Y256 HydrophobicContact CG-CD1 4.37Å; R218-Y256 HydrophobicContact CG-CD2 4.26Å; R218-Y256 HydrophobicContact CG-CE1 4.07Å; R218-Y256 HydrophobicContact CG-CE2 3.92Å; R218-Y256 HydrophobicContact CG-CG 4.48Å; Q223-Y256 HydrophobicContact CG-CE1 4.26Å; V246-Y256 HydrophobicContact CG1-CD1 3.98Å; V246-Y256 HydrophobicContact CG1-CE1 4.4Å; V246-Y256 HydrophobicContact CG2-CD1 4.31Å; V246-Y256 HydrophobicContact CG2-CE1 3.96Å; V248-Y256 HydrophobicContact CB-CD2 3.95Å; V248-Y256 HydrophobicContact CB-CE2 3.69Å; V248-Y256 HydrophobicContact CB-CG 4.48Å; V248-Y256 HydrophobicContact CG1-CD1 3.69Å; V248-Y256 HydrophobicContact CG1-CD2 3.58Å; V248-Y256 HydrophobicContact CG1-CE1 3.69Å; V248-Y256 HydrophobicContact CG1-CE2 3.61Å; V248-Y256 HydrophobicContact CG1-CG 3.62Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.24Å; E253-Y256 PolarHBondContact O-N 3.32Å; E253-Y256 VanDerWaalsContact O-N 3.12Å; Q254-Y256 VanDerWaalsContact C-N 3.32Å
257T97.6Very high95.7Very high30 Ų3063.4 Ų63.418%0.18433%0.334CS..EExtended strand (participates in β ladder)trans-128.2133.2177.948.90000110.4Q217 H259 T270 L271Q217-T257 PolarHBondContact N-O 2.94Å; Q217-T257 PolarHBondContact O-N 3.08Å; T257-H259 WeakPolarHBondContact CB-NE2 3.28Å; T257-H259 PolarHBondContact OG1-NE2 3.06Å; T257-T270 HydrophobicContact CG2-CG2 3.96Å; T257-L271 WeakPolarHBondContact CA-O 3.42Å
258C97.8Very high95.7Very high0 Ų064 Ų640%034%0.339CS..EExtended strand (participates in β ladder)trans-89.8122171.4174.50000108.9C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.46Å; C202-C258 VanDerWaalsContact CB-CB 3.46Å; C202-C258 WeakPolarHBondContact CB-SG 3.5Å; C202-C258 WeakPolarHBondContact SG-CB 3.35Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.21Å; T215-C258 CarbonylContact O-C 3.52Å; T215-C258 WeakPolarHBondContact O-CA 3.43Å; W216-C258 HydrophobicContact CD2-CB 4.16Å; W216-C258 HydrophobicContact CE3-CB 4.06Å; W216-C258 HydrophobicContact CH2-CB 4.02Å; W216-C258 HydrophobicContact CZ2-CB 4.14Å; W216-C258 HydrophobicContact CZ3-CB 3.98Å; C258-T270 CarbonylContact O-C 3.52Å; C258-T270 WeakPolarHBondContact O-CA 3.44Å; C258-L271 HydrophobicContact CB-CB 4.27Å; C258-L271 PolarHBondContact N-O 2.73Å; C258-L271 PolarHBondContact O-N 3.36Å
259H97.4Very high95.6Very high60 Ų6066.8 Ų66.828%0.27835%0.354SS..EExtended strand (participates in β ladder)trans-101.6135.3176.3-68.1-100000109.3L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.35Å; T215-H259 PolarHBondContact N-O 2.87Å; T215-H259 PolarHBondContact O-N 3.5Å; Q217-H259 WeakPolarHBondContact CB-NE2 3.22Å; Q217-H259 PolarHBondContact OE1-NE2 3.34Å; T257-H259 WeakPolarHBondContact CB-NE2 3.28Å; T257-H259 PolarHBondContact OG1-NE2 3.06Å; H259-L269 CarbonylContact C-O 3.6Å; H259-L269 WeakPolarHBondContact CA-O 3.37Å; H259-T270 PolarHBondContact CE1-OG1 3.08Å; H259-T270 VanDerWaalsContact CE1-OG1 3.3Å; H259-T270 PolarHBondContact ND1-OG1 3.4Å
260M97.1Very high95.7Very high0 Ų068 Ų680%036%0.361CS..EExtended strand (participates in β ladder)trans-136.7127.3-172.9-167.2176-5500112P184 T186 A204 I212 T213 L214 P268 L269 L271P184-M260 HydrophobicContact CB-SD 3.92Å; P184-M260 HydrophobicContact CG-SD 3.49Å; P184-M260 WeakPolarHBondContact CG-SD 3.48Å; T186-M260 HydrophobicContact CG2-CE 3.53Å; T186-M260 HydrophobicContact CG2-SD 3.41Å; T186-M260 WeakPolarHBondContact CG2-SD 3.26Å; A204-M260 HydrophobicContact CB-CE 3.86Å; A204-M260 HydrophobicContact CB-SD 3.81Å; I212-M260 HydrophobicContact CD1-CG 4.24Å; I212-M260 HydrophobicContact CD1-SD 4.12Å; I212-M260 HydrophobicContact CG1-CG 4.44Å; T213-M260 WeakPolarHBondContact O-CA 3.48Å; L214-M260 HydrophobicContact CD1-CE 4.07Å; L214-M260 HydrophobicContact CD1-CG 3.79Å; L214-M260 HydrophobicContact CD1-SD 4.16Å; L214-M260 HydrophobicContact CD2-CE 4.24Å; L214-M260 HydrophobicContact CG-CE 3.98Å; L214-M260 HydrophobicContact CG-CG 4.32Å; M260-P268 WeakPolarHBondContact O-CA 3.42Å; M260-L269 HydrophobicContact CB-CB 4.37Å; M260-L269 PolarHBondContact N-O 2.82Å; M260-L269 PolarHBondContact O-N 2.99Å; M260-L271 HydrophobicContact CE-CD1 4.11Å
261Q97.8Very high95.9Very high114 Ų11467.2 Ų67.253%0.53335%0.352SS..EExtended strand (participates in β ladder)trans-123.9130177.1-56.2-179.418.500110I212 T213 P268I212-Q261 WeakPolarHBondContact CG1-O 3.41Å; T213-Q261 PolarHBondContact N-O 3.01Å; T213-Q261 PolarHBondContact O-N 3.36Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.22Å
262H97.8Very high96Very high17 Ų1766.2 Ų66.28%0.07933%0.334CS..  trans-156.1147.5-177.5-174.6-103.6000109.7E182 P184 F207 Y208 P209 E211 I212 G264 L265E182-H262 PolarHBondContact O-CE1 2.92Å; P184-H262 HydrophobicContact CG-CB 4.4Å; F207-H262 AromaticContact CD2-CD2 3.95Å; F207-H262 AromaticContact CD2-NE2 3.71Å; Y208-H262 PolarHBondContact O-CE1 2.73Å; P209-H262 PolarHBondContact O-NE2 2.99Å; E211-H262 PolarHBondContact O-CD2 2.87Å; E211-H262 VanDerWaalsContact O-CD2 3.27Å; I212-H262 HydrophobicContact CD1-CB 4.21Å; I212-H262 HydrophobicContact CG1-CB 4.03Å; H262-G264 PolarHBondContact ND1-N 3.07Å; H262-G264 PolarHBondContact O-N 3.44Å; H262-L265 HydrophobicContact CB-CD1 3.88Å; H262-L265 HydrophobicContact CB-CG 4.09Å; H262-L265 PolarHBondContact O-N 2.85Å; H262-L265 VanDerWaalsContact O-N 3.09Å
263E95.4Very high96Very high140 Ų14065.3 Ų65.365%0.65433%0.327SS*.THydrogen-bonded Turntrans-63.5-24.8-177.8-174.1169-168.300113.6A181 L265A181-E263 HydrophobicContact CB-CG 4.35Å; E263-L265 VanDerWaalsContact C-N 3.29Å; E263-L265 PolarHBondContact O-N 2.74Å
264G94.8Very high95.7Very high23 Ų2372.1 Ų72.124%0.23736%0.36CS..THydrogen-bonded Turntrans-77.3-8.1175.900000114.8P183 H262P183-G264 WeakPolarHBondContact CB-O 3.4Å; H262-G264 PolarHBondContact ND1-N 3.07Å; H262-G264 PolarHBondContact O-N 3.44Å
265L96.6Very high95.1Very high34 Ų3470.7 Ų70.718%0.17836%0.359CS..  trans-96.1134.2-179-63.6171.9000110.9P183 P184 H262 E263 L269P183-L265 HydrophobicContact CB-CD2 3.84Å; P183-L265 HydrophobicContact CB-CG 4.49Å; P184-L265 HydrophobicContact CG-CD1 4.14Å; P184-L265 HydrophobicContact CG-CD2 4.42Å; P184-L265 HydrophobicContact CG-CG 4.42Å; H262-L265 HydrophobicContact CB-CD1 3.88Å; H262-L265 HydrophobicContact CB-CG 4.09Å; H262-L265 PolarHBondContact O-N 2.85Å; H262-L265 VanDerWaalsContact O-N 3.09Å; E263-L265 VanDerWaalsContact C-N 3.29Å; E263-L265 PolarHBondContact O-N 2.74Å; L265-L269 HydrophobicContact CD1-CD1 4.09Å; L265-L269 HydrophobicContact CD1-CG 3.98Å; L265-L269 HydrophobicContact CD2-CD1 3.66Å; L265-L269 HydrophobicContact CD2-CG 3.94Å
266Q94.6Very high93.6Very high200 Ų20070.2 Ų70.294%0.93537%0.373SS*.SBendtrans-69.7-35.1176.7-65.9-178.1-5.200112.3
267E95.3Very high91.3Very high155 Ų15575.1 Ų75.172%0.72441%0.409SS*.SBendtrans-140.8152.5175-64.5-175.2172.300108.7L269E267-L269 PolarHBondContact O-N 2.89Å
268P95.6Very high88.9Confident83 Ų8381.2 Ų81.254%0.53944%0.435SS..  trans-55.7131.4174.7-26.736.3000112.5M260 Q261M260-P268 WeakPolarHBondContact O-CA 3.42Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.22Å
269L96Very high86.3Confident59 Ų5986.3 Ų86.331%0.30947%0.468SS..EExtended strand (participates in β ladder)trans-82.7137.2176.9-66.4178.5000110.7T186 H259 M260 L265 E267T186-L269 HydrophobicContact CG2-CD1 4.08Å; H259-L269 CarbonylContact C-O 3.6Å; H259-L269 WeakPolarHBondContact CA-O 3.37Å; M260-L269 HydrophobicContact CB-CB 4.37Å; M260-L269 PolarHBondContact N-O 2.82Å; M260-L269 PolarHBondContact O-N 2.99Å; L265-L269 HydrophobicContact CD1-CD1 4.09Å; L265-L269 HydrophobicContact CD1-CG 3.98Å; L265-L269 HydrophobicContact CD2-CD1 3.66Å; L265-L269 HydrophobicContact CD2-CG 3.94Å; E267-L269 PolarHBondContact O-N 2.89Å
270T96.9Very high84.1Confident75 Ų7590 Ų9046%0.4650%0.495SS..EExtended strand (participates in β ladder)trans-114.2126.2167.3-55.10000108.7T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.96Å; C258-T270 CarbonylContact O-C 3.52Å; C258-T270 WeakPolarHBondContact O-CA 3.44Å; H259-T270 PolarHBondContact CE1-OG1 3.08Å; H259-T270 VanDerWaalsContact CE1-OG1 3.3Å; H259-T270 PolarHBondContact ND1-OG1 3.4Å
271L96.1Very high82.1Confident36 Ų3695 Ų9519%0.18852%0.521CS..EExtended strand (participates in β ladder)trans-128.3119.6-172.8-60.7163.5000110.5T186 V188 T257 C258 M260T186-L271 HydrophobicContact CG2-CD1 4.02Å; V188-L271 HydrophobicContact CG2-CB 3.99Å; T257-L271 WeakPolarHBondContact CA-O 3.42Å; C258-L271 HydrophobicContact CB-CB 4.27Å; C258-L271 PolarHBondContact N-O 2.73Å; C258-L271 PolarHBondContact O-N 3.36Å; M260-L271 HydrophobicContact CE-CD1 4.11Å
272S94.3Very high80.1Confident50 Ų5093.8 Ų93.835%0.3552%0.523SS..PPolyproline II helixtrans-91.2172.5165.158.10000110.7V188V188-S272 WeakPolarHBondContact CG2-O 3.22Å
273W94.7Very high78.3Confident46 Ų4698.7 Ų98.717%0.17455%0.549CS..PPolyproline II helixtrans-81.5120.4166.4168.358.7000110.7V188 H190 L200 E253 Q254 P275V188-W273 HydrophobicContact CB-CB 4.48Å; V188-W273 HydrophobicContact CG1-CB 3.82Å; H190-W273 HydrophobicContact CB-CD2 4.05Å; H190-W273 HydrophobicContact CB-CG 4.13Å; H190-W273 HydrophobicContact CB-CZ2 4.02Å; H190-W273 AromaticContact CG-CE2 3.83Å; H190-W273 AromaticContact CG-CZ2 3.84Å; L200-W273 HydrophobicContact CD1-CB 4.35Å; L200-W273 HydrophobicContact CD2-CB 3.84Å; L200-W273 HydrophobicContact CD2-CD2 4.4Å; L200-W273 HydrophobicContact CD2-CG 3.99Å; E253-W273 HydrophobicContact CB-CD2 4.47Å; E253-W273 HydrophobicContact CB-CE3 3.46Å; E253-W273 VanDerWaalsContact CB-CE3 3.46Å; E253-W273 HydrophobicContact CB-CZ3 3.9Å; E253-W273 HydrophobicContact CG-CE3 3.73Å; E253-W273 HydrophobicContact CG-CZ3 3.76Å; Q254-W273 PolarHBondContact NE2-O 2.96Å; W273-P275 HydrophobicContact CE3-CG 4.26Å; W273-P275 HydrophobicContact CH2-CB 4.08Å; W273-P275 HydrophobicContact CH2-CG 3.85Å; W273-P275 HydrophobicContact CZ2-CB 3.99Å; W273-P275 HydrophobicContact CZ2-CG 4.08Å; W273-P275 HydrophobicContact CZ3-CG 3.93Å
274E87.8Confident76.4Confident164 Ų164100 Ų10077%0.76656%0.556SS**PPolyproline II helixtrans-90.2122.8167.7-66.1-169.9153.900110.6S276E274-S276 PolarHBondContact O-N 3.34Å
275P80.9Confident74.9Confident76 Ų76101 Ų10149%0.49457%0.567SS.*PPolyproline II helixtrans-61.1127.6170-20.932.6000110.4W273 S277W273-P275 HydrophobicContact CE3-CG 4.26Å; W273-P275 HydrophobicContact CH2-CB 4.08Å; W273-P275 HydrophobicContact CH2-CG 3.85Å; W273-P275 HydrophobicContact CZ2-CB 3.99Å; W273-P275 HydrophobicContact CZ2-CG 4.08Å; W273-P275 HydrophobicContact CZ3-CG 3.93Å; P275-S277 PolarHBondContact O-N 3.46Å
276S64.6Low73.7Confident101 Ų101103.7 Ų103.771%0.70658%0.581SS**  trans-56.3101.8-176-178.60000112.1E274 Q278E274-S276 PolarHBondContact O-N 3.34Å; S276-Q278 PolarHBondContact O-N 2.68Å
277S49.3Very low72.6Confident114 Ų11498.5 Ų98.580%0.79756%0.562SS**  trans-78.856.5175.769.70000111P275 P279P275-S277 PolarHBondContact O-N 3.46Å; S277-P279 WeakPolarHBondContact O-CD 3.27Å
278Q45.8Very low71.5Confident159 Ų15993.6 Ų93.674%0.74355%0.549SS*.  trans-66.7110.5160-77.9-170.3-3.900107.4S276 T280S276-Q278 PolarHBondContact O-N 2.68Å; Q278-T280 PolarHBondContact O-N 2.76Å
279P43.8Very low70.6Confident106 Ų10691.4 Ų91.469%0.68854%0.541SS*.  trans-62.8119.1171.727.7-32.9000106.9S277 I281S277-P279 WeakPolarHBondContact O-CD 3.27Å; P279-I281 PolarHBondContact O-N 2.92Å
280T50.4Low69.9Low137 Ų13793.4 Ų93.484%0.8455%0.551SS**  trans-69.780.1170.2-44.60000107.7Q278 P282Q278-T280 PolarHBondContact O-N 2.76Å; T280-P282 WeakPolarHBondContact O-CD 3.44Å; T280-P282 VanDerWaalsContact O-N 3.08Å
281I55.7Low69.1Low105 Ų10592.5 Ų92.554%0.53855%0.551SS.*  trans-51.3120.2175.7-62.8176.2000105.8P279 I283 I286P279-I281 PolarHBondContact O-N 2.92Å; I281-I283 HydrophobicContact CG2-CG1 4.3Å; I281-I283 PolarHBondContact O-N 3.08Å; I281-I286 HydrophobicContact CG2-CD1 3.99Å
282P55.5Low68.4Low90 Ų9095 Ų9558%0.58457%0.567SS**  trans-77.572.3-173.730.6-34.9000109.3T280 M284 G285 I286T280-P282 WeakPolarHBondContact O-CD 3.44Å; T280-P282 VanDerWaalsContact O-N 3.08Å; P282-M284 PolarHBondContact O-N 3.39Å; P282-G285 WeakPolarHBondContact O-CA 3.48Å; P282-G285 PolarHBondContact O-N 3.44Å; P282-I286 PolarHBondContact O-N 3Å
283I60.8Low67.8Low120 Ų12098 Ų9862%0.61558%0.579SS**Hα-helixtrans-52.3-40.2179.2-66.8165000109.6I281 G285 I286 V287I281-I283 HydrophobicContact CG2-CG1 4.3Å; I281-I283 PolarHBondContact O-N 3.08Å; I283-G285 VanDerWaalsContact C-N 3.33Å; I283-G285 PolarHBondContact O-N 2.86Å; I283-I286 PolarHBondContact O-N 3.21Å; I283-V287 HydrophobicContact CG2-CG2 4.31Å; I283-V287 WeakPolarHBondContact O-CB 3.49Å; I283-V287 VanDerWaalsContact O-CG2 3.29Å; I283-V287 WeakPolarHBondContact O-CG2 3.49Å; I283-V287 PolarHBondContact O-N 3.22Å
284M55.8Low67.2Low166 Ų166100.3 Ų100.382%0.81860%0.598SS**Hα-helixtrans-61.3-35.9174.6-172.416162.400113.4P282 A288P282-M284 PolarHBondContact O-N 3.39Å; M284-A288 VanDerWaalsContact O-CB 3.28Å; M284-A288 WeakPolarHBondContact O-CB 3.39Å; M284-A288 PolarHBondContact O-N 2.83Å
285G63.3Low66.9Low44 Ų4496.5 Ų96.545%0.45459%0.586SS.*Hα-helixtrans-71.6-39.3174.500000112.9P282 I283 A288 G289P282-G285 WeakPolarHBondContact O-CA 3.48Å; P282-G285 PolarHBondContact O-N 3.44Å; I283-G285 VanDerWaalsContact C-N 3.33Å; I283-G285 PolarHBondContact O-N 2.86Å; G285-A288 PolarHBondContact O-N 3.31Å; G285-G289 PolarHBondContact O-N 3.3Å
286I70.9Confident66.9Low92 Ų9297.8 Ų97.847%0.47259%0.588SS.*Hα-helixtrans-65.2-45.4175.1-61.5172.1000110.3I281 P282 I283 G289 L290I281-I286 HydrophobicContact CG2-CD1 3.99Å; P282-I286 PolarHBondContact O-N 3Å; I283-I286 PolarHBondContact O-N 3.21Å; I286-G289 PolarHBondContact O-N 2.89Å; I286-L290 HydrophobicContact CG2-CD1 4.02Å; I286-L290 WeakPolarHBondContact O-CB 3.08Å; I286-L290 WeakPolarHBondContact O-CG 3.29Å; I286-L290 PolarHBondContact O-N 2.68Å
287V71.3Confident67.7Low90 Ų9096.1 Ų96.155%0.54558%0.58SS.*Hα-helixtrans-62.8-43.2176.4170.10000111.4I283 L290 A291I283-V287 HydrophobicContact CG2-CG2 4.31Å; I283-V287 WeakPolarHBondContact O-CB 3.49Å; I283-V287 VanDerWaalsContact O-CG2 3.29Å; I283-V287 WeakPolarHBondContact O-CG2 3.49Å; I283-V287 PolarHBondContact O-N 3.22Å; V287-L290 PolarHBondContact O-N 2.88Å; V287-A291 WeakPolarHBondContact O-CB 3.36Å; V287-A291 PolarHBondContact O-N 2.96Å
288A71.7Confident69.2Low53 Ų5394.8 Ų94.844%0.43857%0.567SS.*Hα-helixtrans-62.7-44.6175.500000112.2M284 G285 A291 V292M284-A288 VanDerWaalsContact O-CB 3.28Å; M284-A288 WeakPolarHBondContact O-CB 3.39Å; M284-A288 PolarHBondContact O-N 2.83Å; G285-A288 PolarHBondContact O-N 3.31Å; A288-A291 PolarHBondContact O-N 3.29Å; A288-V292 WeakPolarHBondContact O-CG2 3.36Å; A288-V292 PolarHBondContact O-N 3.01Å
289G77.7Confident70.8Confident36 Ų3692 Ų9237%0.37156%0.557SS.*Hα-helixtrans-61.7-43.5176.500000113G285 I286 V292 L293G285-G289 PolarHBondContact O-N 3.3Å; I286-G289 PolarHBondContact O-N 2.89Å; G289-V292 PolarHBondContact O-N 3.16Å; G289-L293 WeakPolarHBondContact O-CG 3.4Å; G289-L293 PolarHBondContact O-N 3.25Å
290L81.8Confident72.4Confident102 Ų10288.7 Ų88.753%0.53454%0.542SS..Hα-helixtrans-64.1-42175.1-74.4169.9000112.2I286 V287 V292 L293 V294I286-L290 HydrophobicContact CG2-CD1 4.02Å; I286-L290 WeakPolarHBondContact O-CB 3.08Å; I286-L290 WeakPolarHBondContact O-CG 3.29Å; I286-L290 PolarHBondContact O-N 2.68Å; V287-L290 PolarHBondContact O-N 2.88Å; L290-V292 PolarHBondContact O-N 3.49Å; L290-L293 PolarHBondContact O-N 3.29Å; L290-V294 WeakPolarHBondContact O-CG2 3.43Å; L290-V294 PolarHBondContact O-N 2.8Å
291A78.2Confident73.7Confident55 Ų5585 Ų8546%0.45553%0.526SS..Hα-helixtrans-61.3-43.4176.500000111.9V287 A288 V294 V295V287-A291 WeakPolarHBondContact O-CB 3.36Å; V287-A291 PolarHBondContact O-N 2.96Å; A288-A291 PolarHBondContact O-N 3.29Å; A291-V294 PolarHBondContact O-N 2.89Å; A291-V295 WeakPolarHBondContact O-CG2 3.46Å; A291-V295 PolarHBondContact O-N 3.24Å
292V82.3Confident74.7Confident88 Ų8883.5 Ų83.553%0.53352%0.521SS..Hα-helixtrans-63.2-43.2175.3171.50000111.5A288 G289 L290 V294 V295 L296A288-V292 WeakPolarHBondContact O-CG2 3.36Å; A288-V292 PolarHBondContact O-N 3.01Å; G289-V292 PolarHBondContact O-N 3.16Å; L290-V292 PolarHBondContact O-N 3.49Å; V292-V294 PolarHBondContact O-N 3.39Å; V292-V295 PolarHBondContact O-N 2.97Å; V292-L296 HydrophobicContact CG1-CD1 3.89Å; V292-L296 HydrophobicContact CG1-CG 4.37Å; V292-L296 WeakPolarHBondContact O-CB 3.48Å; V292-L296 WeakPolarHBondContact O-CG 3.43Å; V292-L296 PolarHBondContact O-N 2.96Å
293L81.6Confident75.6Confident114 Ų11483 Ų8360%0.59752%0.516SS*.Hα-helixtrans-61.5-42.1176.2-77.7168.1000112.5G289 L290 L296 A297G289-L293 WeakPolarHBondContact O-CG 3.4Å; G289-L293 PolarHBondContact O-N 3.25Å; L290-L293 PolarHBondContact O-N 3.29Å; L293-L296 PolarHBondContact O-N 3.03Å; L293-A297 WeakPolarHBondContact O-CB 3.13Å; L293-A297 PolarHBondContact O-N 2.66Å
294V81.8Confident76.1Confident94 Ų9481.3 Ų81.357%0.5751%0.512SS*.Hα-helixtrans-64.2-44176171.10000111.2L290 A291 V292 L296 A297 V298L290-V294 WeakPolarHBondContact O-CG2 3.43Å; L290-V294 PolarHBondContact O-N 2.8Å; A291-V294 PolarHBondContact O-N 2.89Å; V292-V294 PolarHBondContact O-N 3.39Å; V294-L296 PolarHBondContact O-N 2.91Å; V294-A297 PolarHBondContact O-N 2.66Å; V294-V298 WeakPolarHBondContact O-CG2 3.44Å; V294-V298 PolarHBondContact O-N 3.3Å
295V82.1Confident76.8Confident84 Ų8476 Ų7651%0.50949%0.494SS..Hα-helixtrans-61.8-44.2176.4169.70000111.4A291 V292 V298 L299A291-V295 WeakPolarHBondContact O-CG2 3.46Å; A291-V295 PolarHBondContact O-N 3.24Å; V292-V295 PolarHBondContact O-N 2.97Å; V295-V298 PolarHBondContact O-N 3.17Å; V295-L299 HydrophobicContact CG1-CD1 3.9Å; V295-L299 HydrophobicContact CG1-CG 4.44Å; V295-L299 WeakPolarHBondContact O-CB 3.35Å; V295-L299 VanDerWaalsContact O-CG 3.3Å; V295-L299 WeakPolarHBondContact O-CG 3.34Å; V295-L299 PolarHBondContact O-N 3.27Å
296L82Confident77.1Confident104 Ų10479.7 Ų79.755%0.54550%0.501SS..Hα-helixtrans-63.6-40.7176.5-71.7171.1000112.3V292 L293 V294 L299 G300V292-L296 HydrophobicContact CG1-CD1 3.89Å; V292-L296 HydrophobicContact CG1-CG 4.37Å; V292-L296 WeakPolarHBondContact O-CB 3.48Å; V292-L296 WeakPolarHBondContact O-CG 3.43Å; V292-L296 PolarHBondContact O-N 2.96Å; L293-L296 PolarHBondContact O-N 3.03Å; V294-L296 PolarHBondContact O-N 2.91Å; L296-L299 PolarHBondContact O-N 2.84Å; L296-G300 PolarHBondContact O-N 3.03Å
297A80.3Confident77Confident65 Ų6581.5 Ų81.554%0.53751%0.509SS..Hα-helixtrans-64-43175.900000112.2L293 V294 G300 A301L293-A297 WeakPolarHBondContact O-CB 3.13Å; L293-A297 PolarHBondContact O-N 2.66Å; V294-A297 PolarHBondContact O-N 2.66Å; A297-G300 PolarHBondContact O-N 2.74Å; A297-A301 WeakPolarHBondContact O-CB 3.44Å; A297-A301 PolarHBondContact O-N 3.48Å
298V80.9Confident76.5Confident86 Ų8681 Ų8152%0.52151%0.509SS..Hα-helixtrans-63.8-44.7175.6170.70000111.1V294 V295 A301 V302V294-V298 WeakPolarHBondContact O-CG2 3.44Å; V294-V298 PolarHBondContact O-N 3.3Å; V295-V298 PolarHBondContact O-N 3.17Å; V298-A301 PolarHBondContact O-N 2.86Å; V298-V302 HydrophobicContact CG1-CG2 4.5Å; V298-V302 WeakPolarHBondContact O-CG2 3.37Å; V298-V302 PolarHBondContact O-N 2.99Å
299L79.1Confident75.9Confident101 Ų10188.4 Ų88.453%0.52953%0.525SS..Hα-helixtrans-62.2-43.6176.2-71.6170.3000111.8V295 L296 A301 V302 V303V295-L299 HydrophobicContact CG1-CD1 3.9Å; V295-L299 HydrophobicContact CG1-CG 4.44Å; V295-L299 WeakPolarHBondContact O-CB 3.35Å; V295-L299 VanDerWaalsContact O-CG 3.3Å; V295-L299 WeakPolarHBondContact O-CG 3.34Å; V295-L299 PolarHBondContact O-N 3.27Å; L296-L299 PolarHBondContact O-N 2.84Å; L299-A301 PolarHBondContact O-N 2.67Å; L299-V302 PolarHBondContact O-N 3.02Å; L299-V303 WeakPolarHBondContact O-CG2 3.3Å; L299-V303 PolarHBondContact O-N 2.72Å
300G77.8Confident74.8Confident37 Ų3797.3 Ų97.338%0.38155%0.548SS..Hα-helixtrans-60.9-41.8174.900000113L296 A297 T304L296-G300 PolarHBondContact O-N 3.03Å; A297-G300 PolarHBondContact O-N 2.74Å; G300-T304 WeakPolarHBondContact O-CB 3.34Å; G300-T304 PolarHBondContact O-N 2.84Å; G300-T304 PolarHBondContact O-OG1 2.88Å
301A76.5Confident73.2Confident60 Ų60101.1 Ų101.150%0.49656%0.56SS.*Hα-helixtrans-64.6-42.7174.900000112.2A297 V298 L299 T304 A305A297-A301 WeakPolarHBondContact O-CB 3.44Å; A297-A301 PolarHBondContact O-N 3.48Å; V298-A301 PolarHBondContact O-N 2.86Å; L299-A301 PolarHBondContact O-N 2.67Å; A301-T304 PolarHBondContact O-N 2.97Å; A301-A305 VanDerWaalsContact O-CB 3.32Å; A301-A305 WeakPolarHBondContact O-CB 3.45Å; A301-A305 PolarHBondContact O-N 3.02Å
302V76.9Confident71.9Confident73 Ų73103 Ų10344%0.44257%0.569SS.*Hα-helixtrans-64.3-45176.7169.30000111.5V298 L299 T304 A305 M306V298-V302 HydrophobicContact CG1-CG2 4.5Å; V298-V302 WeakPolarHBondContact O-CG2 3.37Å; V298-V302 PolarHBondContact O-N 2.99Å; L299-V302 PolarHBondContact O-N 3.02Å; V302-T304 PolarHBondContact O-N 3.38Å; V302-A305 PolarHBondContact O-N 3.29Å; V302-M306 WeakPolarHBondContact O-CB 3.3Å; V302-M306 WeakPolarHBondContact O-CG 3.39Å; V302-M306 PolarHBondContact O-N 2.95Å
303V75.4Confident70.4Confident78 Ų78103.9 Ų103.947%0.47358%0.58SS.*Hα-helixtrans-60.8-45.9175.5170.50000110.6L299 A305 M306 M307L299-V303 WeakPolarHBondContact O-CG2 3.3Å; L299-V303 PolarHBondContact O-N 2.72Å; V303-A305 PolarHBondContact O-N 3.32Å; V303-M306 PolarHBondContact O-N 3.14Å; V303-M307 HydrophobicContact CG1-CG 4.48Å; V303-M307 HydrophobicContact CG1-SD 4.11Å; V303-M307 WeakPolarHBondContact O-CG 3.14Å; V303-M307 PolarHBondContact O-N 3.35Å
304T70.8Confident68.4Low86 Ų86101.7 Ų101.753%0.52858%0.584SS.*Hα-helixtrans-60.4-47.3177.5-560000111.3G300 A301 V302 M306 M307 C308G300-T304 WeakPolarHBondContact O-CB 3.34Å; G300-T304 PolarHBondContact O-N 2.84Å; G300-T304 PolarHBondContact O-OG1 2.88Å; A301-T304 PolarHBondContact O-N 2.97Å; V302-T304 PolarHBondContact O-N 3.38Å; T304-M306 VanDerWaalsContact C-N 3.35Å; T304-M306 PolarHBondContact O-N 3.19Å; T304-M307 PolarHBondContact O-N 3Å; T304-C308 PolarHBondContact O-N 2.76Å; T304-C308 PolarHBondContact O-SG 3.29Å; T304-C308 VanDerWaalsContact O-SG 3.37Å
305A71.1Confident66.2Low54 Ų54101 Ų10145%0.44660%0.596SS.*Hα-helixtrans-62.9-38.1177.400000112.7A301 V302 V303 R309A301-A305 VanDerWaalsContact O-CB 3.32Å; A301-A305 WeakPolarHBondContact O-CB 3.45Å; A301-A305 PolarHBondContact O-N 3.02Å; V302-A305 PolarHBondContact O-N 3.29Å; V303-A305 PolarHBondContact O-N 3.32Å; A305-R309 WeakPolarHBondContact O-CB 3.23Å; A305-R309 PolarHBondContact O-N 3.17Å
306M69.6Low63.9Low122 Ų122107.2 Ų107.260%0.60162%0.617SS**Hα-helixtrans-68.4-38.8174-74.3-147.2-67.100112.5V302 V303 T304 R309 R310V302-M306 WeakPolarHBondContact O-CB 3.3Å; V302-M306 WeakPolarHBondContact O-CG 3.39Å; V302-M306 PolarHBondContact O-N 2.95Å; V303-M306 PolarHBondContact O-N 3.14Å; T304-M306 VanDerWaalsContact C-N 3.35Å; T304-M306 PolarHBondContact O-N 3.19Å; M306-R309 PolarHBondContact O-N 3.05Å; M306-R310 WeakPolarHBondContact O-CB 3.32Å; M306-R310 PolarHBondContact O-N 3Å
307M68.4Low61.7Low130 Ų130106.2 Ų106.264%0.6463%0.631SS**Hα-helixtrans-66-41.3174.6-71.3-177.174.500111.7V303 T304 R310 K311V303-M307 HydrophobicContact CG1-CG 4.48Å; V303-M307 HydrophobicContact CG1-SD 4.11Å; V303-M307 WeakPolarHBondContact O-CG 3.14Å; V303-M307 PolarHBondContact O-N 3.35Å; T304-M307 PolarHBondContact O-N 3Å; M307-R310 PolarHBondContact O-N 2.68Å; M307-K311 WeakPolarHBondContact O-CB 2.96Å; M307-K311 PolarHBondContact O-N 3.12Å
308C60.4Low59.4Low80 Ų80107.1 Ų107.154%0.54165%0.647SS.*Hα-helixtrans-59.8-47.4171.5-710000111.8T304 R310 K311 S312T304-C308 PolarHBondContact O-N 2.76Å; T304-C308 PolarHBondContact O-SG 3.29Å; T304-C308 VanDerWaalsContact O-SG 3.37Å; C308-R310 PolarHBondContact O-N 3.27Å; C308-K311 PolarHBondContact O-N 3.43Å; C308-K311 VanDerWaalsContact O-N 3.09Å; C308-S312 PolarHBondContact O-N 2.93Å; C308-S312 PolarHBondContact O-OG 2.9Å
309R58.8Low57.3Low207 Ų207108.9 Ų108.978%0.78166%0.663SS**Hα-helixtrans-64-34.4176.4-82.6-175.1163.5-174.6-4.6113.7A305 M306 K311 S312A305-R309 WeakPolarHBondContact O-CB 3.23Å; A305-R309 PolarHBondContact O-N 3.17Å; M306-R309 PolarHBondContact O-N 3.05Å; R309-K311 VanDerWaalsContact C-N 3.32Å; R309-S312 WeakPolarHBondContact CA-OG 3.49Å; R309-S312 PolarHBondContact O-OG 3.08Å
310R55.3Low55Low223 Ų223109.8 Ų109.884%0.84268%0.677SS**Hα-helixtrans-69.9-26.4172-108.7-177.8171.8176.5-2.2113.1M306 M307 C308 S313M306-R310 WeakPolarHBondContact O-CB 3.32Å; M306-R310 PolarHBondContact O-N 3Å; M307-R310 PolarHBondContact O-N 2.68Å; C308-R310 PolarHBondContact O-N 3.27Å; R310-S313 PolarHBondContact O-OG 3.18Å
311K49.2Very low52.9Low183 Ų183113.1 Ų113.180%0.79669%0.694SS**Hα-helixtrans-89-16.7179.3-160.6166.1-176.7177.30113.4M307 C308 R309M307-K311 WeakPolarHBondContact O-CB 2.96Å; M307-K311 PolarHBondContact O-N 3.12Å; C308-K311 PolarHBondContact O-N 3.43Å; C308-K311 VanDerWaalsContact O-N 3.09Å; R309-K311 VanDerWaalsContact C-N 3.32Å
312S50.8Low51.1Low93 Ų93119.3 Ų119.365%0.6571%0.713SS**SBendtrans-83.6-0.3177.655.60000115.4C308 R309 G314C308-S312 PolarHBondContact O-N 2.93Å; C308-S312 PolarHBondContact O-OG 2.9Å; R309-S312 WeakPolarHBondContact CA-OG 3.49Å; R309-S312 PolarHBondContact O-OG 3.08Å; S312-G314 PolarHBondContact O-N 2.87Å
313S49.1Very low49Very low108 Ų108120.1 Ų120.176%0.75573%0.727SS**SBendtrans-92.529.6-17769.30000114.9R310R310-S313 PolarHBondContact O-OG 3.18Å
314G40.1Very low46.8Very low67 Ų67121 Ų12169%0.69174%0.743SS**SBendtrans176.5146.4170.900000114.5S312S312-G314 PolarHBondContact O-N 2.87Å
315G36.4Very low45.2Very low79 Ų79123.4 Ų123.481%0.81476%0.761SS**  trans108.238.4157.400000120.1
316K34.3Very low43.3Very low216 Ų216126.5 Ų126.594%0.93978%0.779SS**  trans11.1112.2141.9-175.6176.4-177.8176.60119.2
317G35.1Very low41.7Very low83 Ų83128.7 Ų128.786%0.85679%0.794SS**  trans105.2137.4136.200000119.7
318G30.8Very low40.2Very low84 Ų84128.5 Ų128.587%0.86681%0.805SS**  trans149.5133169.800000113.2
319S36.8Very low39.2Very low122 Ų122129.2 Ų129.285%0.85382%0.817SS**  trans-156.5138.9179.3177.20000111.7
320C30.9Very low38.2Very low121 Ų121129.2 Ų129.282%0.81883%0.826SS**  trans-168.9120.4143.6-123.90000114.1
321S34.6Very low37.1Very low106 Ų106121.9 Ų121.974%0.74182%0.819SS**  trans39.6129.4133.2-50.20000124.9
322Q38.6Very low36.5Very low191 Ų191118.8 Ų118.889%0.89382%0.821SS**  trans-17.9163.5132.9-84.7-180-52.900118.5
323A33Very low35.8Very low89 Ų89121.7 Ų121.774%0.73683%0.829SS**  cis-169.7173.9-3.100000110.4
324A30.1Very low35Very low98 Ų98124 Ų12481%0.8183%0.828SS**  trans-167.4149.8142.600000112.4
325C35.5Very low34.7Very low135 Ų135125.7 Ų125.791%0.91283%0.83SS**  trans-125.4166.1166.4-60.50000109.4
326S30.8Very low34.6Very low119 Ų119129 Ų12983%0.83283%0.828SS**  trans-149.2148162.649.40000112.1
327N37.5Very low34.6Very low169 Ų169126.3 Ų126.390%0.90482%0.822SS**  trans-132.2152.7-179.7-90.3-9.7000109.2
328S36.6Very low34.4Very low126 Ų126128.7 Ų128.788%0.88182%0.82SS**  trans-159.7156.7156.952.30000110.7
329A40.1Very low34.4Very low95 Ų95130.4 Ų130.479%0.78582%0.818SS**  trans-160.9154-173.800000111.7
330Q37.6Very low34.2Very low206 Ų206133.9 Ų133.996%0.96382%0.817SS**  trans-174.6148.2154.5-115.1170.5-20.300114.6
331G31.2Very low34.6Very low69 Ų69136.1 Ų136.171%0.71184%0.844SS**  trans84.5138.9161.700000117
332S37Very low34.5Very low119 Ų119137.6 Ų137.683%0.83285%0.849SS**  cis-155.2177-4.8-64.50000111.3
333D36.4Very low34.3Very low153 Ų153134.8 Ų134.882%0.81885%0.847SS**  trans-60.1166.3-177.2-38.7-87.5000114.4
334E32Very low34.4Very low156 Ų156137.3 Ų137.373%0.72985%0.853SS**  cis-142-153.29.2-147.1-137.4121.700107.8L336E334-L336 PolarHBondContact OE1-N 3.15Å; E334-L336 VanDerWaalsContact OE1-N 3.15Å
335S33.9Very low34.7Very low104 Ų104139.6 Ų139.673%0.72786%0.856SS**  cis-151.1177.310.771.90000117.6
336L34.1Very low34.6Very low149 Ų149139.9 Ų139.978%0.7885%0.852SS**  trans-54.6157.8-176.7-78.5156.3000120.6E334E334-L336 PolarHBondContact OE1-N 3.15Å; E334-L336 VanDerWaalsContact OE1-N 3.15Å
337I34.1Very low34.9Very low158 Ų158141.3 Ų141.381%0.8185%0.854SS**  trans-98.2137.9167.1-64164.8000110.4
338T30.6Very low34.7Very low133 Ų133139.4 Ų139.482%0.81685%0.85SS**  trans171.4156.8150.522.10000109.7
339C30.4Very low34.5Very low121 Ų121140.4 Ų140.482%0.81885%0.848SS**  cis-153.3178.8-25.6-145.90000109.3
340K33.8Very low34.1Very low194 Ų194144.2 Ų144.284%0.84385%0.853SS**  trans-71.6153.5179.4-64.7-177.5175.8-178.20114.2
341A37.8Very low33.7Very low168 Ų168138.5 Ų138.5100%1.38884%0.843SS**  -121.50118.700000107.5

Retrieved 341 of 341 residues in 1502.9 ms (Link to these results)

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