A0A060VHE3_HUMAN Loading...

MHC class I antigen

Involved in the presentation of foreign antigens to the immune system.

AlphaFold DB , UniProt , Accession A0A060VHE3, 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
1S92.9Very high98Very high98 Ų9837.9 Ų37.969%0.68521%0.207SC*.  0154.20-59.20000107.6L102S1-L102 VanDerWaalsContact CA-O 3.3Å; S1-L102 WeakPolarHBondContact CA-O 3.29Å; S1-L102 VanDerWaalsContact CB-O 3.28Å; S1-L102 WeakPolarHBondContact CB-O 3.49Å
2H97.1Very high98Very high48 Ų4836.1 Ų36.122%0.22220%0.199CC..EExtended strand (participates in β ladder)trans-138.9157.8-179.1-67.1-75.9000110.6D28 D101 L102 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.34Å; H2-D28 IonicContact CE1-OD2 2.87Å; H2-D28 IonicContact CG-OD2 2.79Å; H2-D28 IonicContact ND1-OD1 3.17Å; H2-D28 IonicContact ND1-OD2 3.94Å; H2-D28 PolarHBondContact ND1-OD2 3.49Å; H2-D101 CarbonylContact O-C 3.58Å; H2-D101 WeakPolarHBondContact O-CA 3.38Å; H2-L102 PolarHBondContact N-O 3.27Å; H2-L102 VanDerWaalsContact N-O 3.12Å; H2-L102 PolarHBondContact O-N 3.36Å; H2-L167 HydrophobicContact CB-CD1 4.43Å; H2-L171 HydrophobicContact CB-CD1 3.69Å; H2-L171 HydrophobicContact CB-CD2 3.95Å; H2-L171 HydrophobicContact CB-CG 4.4Å; H2-L171 VanDerWaalsContact CG-CD2 3.49Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.47Å
3S98.2Very high97.8Very high23 Ų2339.1 Ų39.116%0.16121%0.206CC..EExtended strand (participates in β ladder)trans-134.4150.6179.765.50000111.7V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.58Å; S3-V27 VanDerWaalsContact O-CA 3.3Å; S3-V27 WeakPolarHBondContact O-CA 3.21Å; S3-D28 PolarHBondContact N-OD1 2.89Å; S3-D28 PolarHBondContact O-N 3.32Å; S3-D28 PolarHBondContact OG-OD1 3.37Å; S3-C100 WeakPolarHBondContact CA-O 3.41Å; S3-D101 WeakPolarHBondContact CB-OD1 3.45Å
4M98.7Very high97.4Very high1 Ų140.1 Ų40.11%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-124.7123167.2-176.5172.560.800108Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.24Å; M4-Y6 HydrophobicContact CG-CE2 4.05Å; M4-Y6 HydrophobicContact SD-CE2 4Å; M4-Y26 CarbonylContact C-O 3.58Å; M4-Y26 WeakPolarHBondContact CA-O 3.39Å; M4-V27 HydrophobicContact CG-CG2 4.35Å; M4-F32 HydrophobicContact CG-CE1 4.43Å; M4-F32 HydrophobicContact SD-CZ 4.34Å; M4-G99 CarbonylContact O-C 3.55Å; M4-G99 WeakPolarHBondContact O-CA 3.41Å; M4-C100 PolarHBondContact N-O 3.5Å; M4-C100 PolarHBondContact O-N 2.87Å; M4-C163 HydrophobicContact CE-CB 4.19Å; M4-C163 VanDerWaalsContact CE-O 3.22Å; M4-C163 WeakPolarHBondContact CE-O 3.49Å; M4-C163 WeakPolarHBondContact CE-SG 3.39Å; M4-W166 HydrophobicContact CE-CB 4.07Å; M4-W166 HydrophobicContact SD-CB 4.38Å; M4-L167 HydrophobicContact CB-CB 4.04Å; M4-L167 HydrophobicContact CB-CD1 4.03Å; M4-L167 HydrophobicContact CB-CD2 3.97Å; M4-L167 HydrophobicContact CB-CG 4.23Å; M4-L167 HydrophobicContact CE-CB 4.34Å; M4-L167 HydrophobicContact SD-CB 4.48Å; M4-Y170 HydrophobicContact SD-CD2 3.78Å; M4-Y170 HydrophobicContact SD-CE2 3.6Å; M4-Y170 VanDerWaalsContact SD-CE2 3.6Å
5R98.6Very high96.9Very high48 Ų4843.4 Ų43.418%0.18126%0.263CS..EExtended strand (participates in β ladder)trans-130.1136.5-176.5-56.9-62.1-178.277.94.4110.8F7 G25 Y26 S98 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.44Å; R5-F7 HydrophobicContact CB-CE2 3.63Å; R5-F7 HydrophobicContact CB-CZ 3.95Å; R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.4Å; R5-Y26 PolarHBondContact N-O 2.93Å; R5-Y26 PolarHBondContact O-N 3.41Å; R5-S98 CarbonylContact C-O 3.51Å; R5-S98 WeakPolarHBondContact CA-O 3.3Å; R5-D101 IonicContact CZ-OD1 2.66Å; R5-D101 IonicContact NE-OD1 3.9Å; R5-D101 PolarHBondContact NE-OD1 3.47Å; R5-D101 VanDerWaalsContact NH2-CG 3.31Å; R5-D101 IonicContact NH2-OD1 3.84Å; R5-D101 PolarHBondContact NH2-OD1 3.33Å; R5-D101 IonicContact NH2-OD2 2.79Å; R5-D101 PolarHBondContact NH2-OD2 2.93Å; R5-Y112 VanDerWaalsContact NH2-CZ 3.28Å; R5-Y112 PolarHBondContact NH2-OH 3.44Å
6Y98.7Very high96.7Very high20 Ų2054.3 Ų54.38%0.07830%0.298CS..EExtended strand (participates in β ladder)trans-112.4136168.5-69-93.7000109.2M4 V24 F32 V33 M97 S98M4-Y6 HydrophobicContact CE-CE2 4.24Å; M4-Y6 HydrophobicContact CG-CE2 4.05Å; M4-Y6 HydrophobicContact SD-CE2 4Å; Y6-V24 CarbonylContact C-O 3.55Å; Y6-V24 WeakPolarHBondContact CA-O 3.25Å; Y6-F32 HydrophobicContact CE1-CZ 4.07Å; Y6-F32 HydrophobicContact CE2-CZ 4.5Å; Y6-F32 AromaticContact CZ-CZ 3.75Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.29Å; Y6-V33 HydrophobicContact CE1-CG2 3.92Å; Y6-M97 WeakPolarHBondContact O-CA 3.32Å; Y6-S98 PolarHBondContact N-O 2.96Å; Y6-S98 PolarHBondContact O-N 2.98Å
7F98.8Very high96.4Very high83 Ų8354.5 Ų54.536%0.36432%0.315SS..EExtended strand (participates in β ladder)trans-120.9114.6176.6-57.2-94.7000108.9R5 S23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CD2 4.44Å; R5-F7 HydrophobicContact CB-CE2 3.63Å; R5-F7 HydrophobicContact CB-CZ 3.95Å; F7-S23 WeakPolarHBondContact O-CA 3.34Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.3Å; F7-V24 PolarHBondContact N-O 3.46Å; F7-V24 PolarHBondContact O-N 3.41Å; F7-Y26 HydrophobicContact CD2-CD2 4.13Å; F7-Y26 HydrophobicContact CE2-CD2 4.13Å; F7-R96 CarbonylContact C-O 3.56Å; F7-R96 WeakPolarHBondContact CA-O 3.38Å; F7-M97 HydrophobicContact CD1-CB 4.02Å; F7-M97 HydrophobicContact CD1-CG 3.69Å; F7-M97 HydrophobicContact CE1-CB 4.11Å; F7-M97 HydrophobicContact CE1-CG 3.37Å; F7-M97 HydrophobicContact CZ-CG 3.99Å
8D98.7Very high96.3Very high13 Ų1356.8 Ų56.87%0.0732%0.322CS..EExtended strand (participates in β ladder)trans-104140.9175.8-59.5-31.4000109.4F21 I22 S23 Q95 R96D8-F21 HydrophobicContact CB-CE2 3.79Å; D8-F21 HydrophobicContact CB-CZ 3.97Å; D8-I22 CarbonylContact C-O 3.58Å; D8-I22 WeakPolarHBondContact CA-O 3.28Å; D8-S23 WeakPolarHBondContact OD1-CB 3.35Å; D8-S23 PolarHBondContact OD1-OG 2.9Å; D8-Q95 CarbonylContact O-C 3.59Å; D8-Q95 VanDerWaalsContact O-CA 3.31Å; D8-Q95 WeakPolarHBondContact O-CA 3.43Å; D8-R96 HydrophobicContact CB-CB 4.18Å; D8-R96 PolarHBondContact N-O 2.89Å; D8-R96 PolarHBondContact O-N 2.87Å
9T98.8Very high96.3Very high41 Ų4155.2 Ų55.225%0.25231%0.314SS..EExtended strand (participates in β ladder)trans-140120.3175.5-59.40000109.7V11 F21 I22 T93 L94 Q95T9-V11 HydrophobicContact CG2-CG2 4.01Å; T9-F21 WeakPolarHBondContact O-CA 3.41Å; T9-I22 PolarHBondContact N-O 3.3Å; T9-I22 PolarHBondContact O-N 2.93Å; T9-T93 HydrophobicContact CG2-CG2 4.05Å; T9-L94 WeakPolarHBondContact CA-O 3.31Å; T9-Q95 HydrophobicContact CG2-CG 4.04Å
10A98.7Very high96.4Very high2 Ų255.8 Ų55.82%0.01731%0.311CS..EExtended strand (participates in β ladder)trans-113.6124.517400000110.1R20 F21 D73 L77 T93 L94A10-R20 CarbonylContact C-O 3.51Å; A10-R20 VanDerWaalsContact CA-O 3.28Å; A10-R20 WeakPolarHBondContact CA-O 3.47Å; A10-F21 HydrophobicContact CB-CD2 4.24Å; A10-D73 HydrophobicContact CB-CB 3.66Å; A10-L77 HydrophobicContact CB-CD1 3.87Å; A10-T93 WeakPolarHBondContact O-CA 3.49Å; A10-L94 HydrophobicContact CB-CB 4.45Å; A10-L94 PolarHBondContact N-O 2.94Å; A10-L94 PolarHBondContact O-N 2.93Å
11V98.5Very high96.5Very high40 Ų4053.3 Ų53.324%0.24230%0.297CS..EExtended strand (participates in β ladder)trans-119.4114.9-178.9-1750000109.6T9 P19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 4.01Å; V11-P19 CarbonylContact O-C 3.54Å; V11-P19 WeakPolarHBondContact O-CA 3.31Å; V11-P19 WeakPolarHBondContact O-CB 3.31Å; V11-R20 PolarHBondContact N-O 3.11Å; V11-R20 PolarHBondContact O-N 3.06Å; V11-H92 WeakPolarHBondContact CA-O 3.4Å; V11-T93 HydrophobicContact CG2-CG2 4.19Å
12S97.8Very high96.8Very high16 Ų1650.7 Ų50.711%0.11228%0.275CS..  trans-70.2145.2174.875.90000111S91 H92S12-S91 WeakPolarHBondContact O-CB 3.42Å; S12-S91 PolarHBondContact O-OG 2.95Å; S12-H92 PolarHBondContact N-O 3.39Å; S12-H92 PolarHBondContact OG-N 3Å; S12-H92 PolarHBondContact OG-O 3.39Å
13R95.8Very high96.9Very high75 Ų7548.4 Ų48.428%0.28327%0.265SS..  trans-138.473.9-176.2-59.8170.8175.9-178-8.8110.6G15 R16 D38R13-G15 PolarHBondContact O-N 3.29Å; R13-R16 HydrophobicContact CB-CB 4.09Å; R13-R16 PolarHBondContact O-N 3.02Å; R13-D38 IonicContact CZ-OD2 3.7Å; R13-D38 IonicContact NH1-OD1 3.09Å; R13-D38 IonicContact NH1-OD2 3.99Å; R13-D38 PolarHBondContact NH1-OD2 3.25Å; R13-D38 IonicContact NH2-OD2 3.79Å
14P92.1Very high96.9Very high54 Ų5448.6 Ų48.635%0.35126%0.264SS..THydrogen-bonded Turntrans-49.2131.4-178.9-26.535.1000111.8R16 E88 G90P14-R16 PolarHBondContact O-N 3.47Å; P14-E88 WeakPolarHBondContact CB-O 3.18Å; P14-E88 WeakPolarHBondContact CG-O 3.49Å; P14-G90 WeakPolarHBondContact CG-O 3.5Å
15G90.8Very high96.9Very high89 Ų8948.5 Ų48.592%0.91826%0.264SS*.THydrogen-bonded Turntrans730.5-178.100000116.3R13R13-G15 PolarHBondContact O-N 3.29Å
16R92.8Very high96.9Very high218 Ų21849.5 Ų49.582%0.82327%0.268SS*.SBendtrans-124.423.7-178.9-58-175.1179.6-173.40.3113.7R13 P14R13-R16 HydrophobicContact CB-CB 4.09Å; R13-R16 PolarHBondContact O-N 3.02Å; P14-R16 PolarHBondContact O-N 3.47Å
17G91.5Very high96.9Very high57 Ų5748.6 Ų48.659%0.58827%0.265SS*.SBendtrans100.2-155.7177.800000113.6
18E94.6Very high96.8Very high96 Ų9646.1 Ų46.145%0.44926%0.255SS..SBendtrans-76159.3-179.6-65.4-56.4161.700112.4R20 R74 R78E18-R20 PolarHBondContact O-N 2.91Å; E18-R74 VanDerWaalsContact CD-NE 3.27Å; E18-R74 IonicContact OE1-CZ 3.69Å; E18-R74 IonicContact OE1-NE 3.66Å; E18-R74 IonicContact OE1-NH1 2.72Å; E18-R74 IonicContact OE1-NH2 3.4Å; E18-R74 PolarHBondContact OE1-NH2 2.94Å; E18-R74 WeakPolarHBondContact OE2-CD 3.39Å; E18-R74 IonicContact OE2-CZ 3.8Å; E18-R74 IonicContact OE2-NE 3.82Å; E18-R74 PolarHBondContact OE2-NE 3.36Å; E18-R74 IonicContact OE2-NH2 3.02Å; E18-R74 PolarHBondContact OE2-NH2 3.29Å; E18-R78 IonicContact OE2-NH2 3.52Å
19P97.1Very high96.7Very high26 Ų2648.5 Ų48.517%0.16927%0.268CS..PPolyproline II helixtrans-55.2132.5171.3-24.434.7000111.2V11 R74 L77V11-P19 CarbonylContact O-C 3.54Å; V11-P19 WeakPolarHBondContact O-CA 3.31Å; V11-P19 WeakPolarHBondContact O-CB 3.31Å; P19-R74 HydrophobicContact CG-CB 4.37Å; P19-R74 HydrophobicContact CG-CG 4.21Å; P19-L77 HydrophobicContact CB-CD1 3.64Å; P19-L77 HydrophobicContact CG-CD1 3.82Å
20R98.3Very high96.6Very high68 Ų6847.8 Ų47.826%0.25726%0.264SS..EExtended strand (participates in β ladder)trans-75.4132.3171179.2-176.7-171.4177.210.5108.7A10 V11 E18 I22 D36 S37 D38A10-R20 CarbonylContact C-O 3.51Å; A10-R20 VanDerWaalsContact CA-O 3.28Å; A10-R20 WeakPolarHBondContact CA-O 3.47Å; V11-R20 PolarHBondContact N-O 3.11Å; V11-R20 PolarHBondContact O-N 3.06Å; E18-R20 PolarHBondContact O-N 2.91Å; R20-I22 HydrophobicContact CG-CG1 4.17Å; R20-D36 IonicContact CZ-OD1 2.6Å; R20-D36 IonicContact CZ-OD2 3.15Å; R20-D36 IonicContact NE-OD1 3.07Å; R20-D36 PolarHBondContact NE-OD1 2.93Å; R20-D36 IonicContact NE-OD2 3.55Å; R20-D36 IonicContact NH2-OD1 3.23Å; R20-D36 PolarHBondContact NH2-OD1 2.97Å; R20-D36 IonicContact NH2-OD2 3.92Å; R20-D36 PolarHBondContact NH2-OD2 3.45Å; R20-S37 WeakPolarHBondContact CA-OG 3.46Å; R20-D38 VanDerWaalsContact CD-OD2 3.22Å; R20-D38 WeakPolarHBondContact CD-OD2 3.39Å; R20-D38 HydrophobicContact CG-CB 4.43Å; R20-D38 IonicContact NE-OD2 2.61Å
21F98.7Very high96.6Very high4 Ų450.1 Ų50.12%0.01827%0.274CS..EExtended strand (participates in β ladder)trans-113.9127.6175177.6-94.9000109.9D8 T9 A10 F35 S37 Q69 A70 D73D8-F21 HydrophobicContact CB-CE2 3.79Å; D8-F21 HydrophobicContact CB-CZ 3.97Å; T9-F21 WeakPolarHBondContact O-CA 3.41Å; A10-F21 HydrophobicContact CB-CD2 4.24Å; F21-F35 AromaticContact CD1-CD1 3.69Å; F21-F35 HydrophobicContact CD1-CD1 3.69Å; F21-F35 AromaticContact CD1-CE1 3.8Å; F21-F35 HydrophobicContact CD1-CE1 3.8Å; F21-F35 AromaticContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CE1 4.34Å; F21-S37 PolarHBondContact N-OG 2.92Å; F21-S37 PolarHBondContact O-N 3.47Å; F21-S37 PolarHBondContact O-OG 3.35Å; F21-Q69 HydrophobicContact CE2-CB 4.29Å; F21-Q69 HydrophobicContact CE2-CG 3.71Å; F21-Q69 HydrophobicContact CZ-CB 3.89Å; F21-Q69 HydrophobicContact CZ-CG 3.61Å; F21-A70 HydrophobicContact CB-CB 3.62Å; F21-A70 HydrophobicContact CD1-CB 3.67Å; F21-A70 HydrophobicContact CD2-CB 4.14Å; F21-A70 HydrophobicContact CE1-CB 4.36Å; F21-A70 HydrophobicContact CG-CB 3.54Å; F21-D73 VanDerWaalsContact CE2-OD2 3.3Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.43Å
22I98.8Very high96.6Very high43 Ų4348.2 Ų48.222%0.22126%0.263CS..EExtended strand (participates in β ladder)trans-123.5134.6173.7-56.4175.7000107.3D8 T9 R20 V24 F35D8-I22 CarbonylContact C-O 3.58Å; D8-I22 WeakPolarHBondContact CA-O 3.28Å; T9-I22 PolarHBondContact N-O 3.3Å; T9-I22 PolarHBondContact O-N 2.93Å; R20-I22 HydrophobicContact CG-CG1 4.17Å; I22-V24 HydrophobicContact CG2-CG1 4.4Å; I22-F35 WeakPolarHBondContact CA-O 3.32Å
23S98.8Very high96.6Very high0 Ų047.5 Ų47.50%026%0.257CS..EExtended strand (participates in β ladder)trans-127.1137.2170.8-175.20000109.6F7 D8 R34 F35 Y66F7-S23 WeakPolarHBondContact O-CA 3.34Å; D8-S23 WeakPolarHBondContact OD1-CB 3.35Å; D8-S23 PolarHBondContact OD1-OG 2.9Å; S23-R34 CarbonylContact O-C 3.58Å; S23-R34 WeakPolarHBondContact O-CA 3.41Å; S23-F35 PolarHBondContact N-O 3.4Å; S23-F35 PolarHBondContact O-N 2.86Å; S23-Y66 WeakPolarHBondContact OG-CE1 3.42Å
24V98.8Very high96.7Very high26 Ų2647.4 Ų47.416%0.15826%0.257CS..EExtended strand (participates in β ladder)trans-132.3139.4174.1-63.60000110Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 CarbonylContact C-O 3.55Å; Y6-V24 WeakPolarHBondContact CA-O 3.25Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.3Å; F7-V24 PolarHBondContact N-O 3.46Å; F7-V24 PolarHBondContact O-N 3.41Å; I22-V24 HydrophobicContact CG2-CG1 4.4Å; V24-Y26 HydrophobicContact CB-CE2 4.1Å; V24-Y26 HydrophobicContact CG2-CD2 4.38Å; V24-Y26 HydrophobicContact CG2-CE2 3.82Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.26Å; V24-V33 WeakPolarHBondContact CA-O 3.43Å; V24-R34 HydrophobicContact CG1-CB 4.49Å; V24-R34 HydrophobicContact CG1-CG 4.23Å
25G98.6Very high97Very high0 Ų045 Ų450%024%0.241CC..EExtended strand (participates in β ladder)trans-116.7138.3177.500000111R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.4Å; G25-Q31 WeakPolarHBondContact O-CA 3.45Å; G25-F32 WeakPolarHBondContact O-CD1 3.33Å; G25-F32 PolarHBondContact O-N 3.02Å; G25-V33 PolarHBondContact N-O 2.88Å; G25-V33 PolarHBondContact O-N 3.4Å
26Y98.6Very high97.4Very high69 Ų6941.7 Ų41.727%0.27120%0.203SC..EExtended strand (participates in β ladder)trans-125142.3178.3-75.2-102.3000110.6M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.58Å; M4-Y26 WeakPolarHBondContact CA-O 3.39Å; R5-Y26 PolarHBondContact N-O 2.93Å; R5-Y26 PolarHBondContact O-N 3.41Å; F7-Y26 HydrophobicContact CD2-CD2 4.13Å; F7-Y26 HydrophobicContact CE2-CD2 4.13Å; V24-Y26 HydrophobicContact CB-CE2 4.1Å; V24-Y26 HydrophobicContact CG2-CD2 4.38Å; V24-Y26 HydrophobicContact CG2-CE2 3.82Å; Y26-T30 WeakPolarHBondContact CA-O 3.44Å; Y26-T30 VanDerWaalsContact CD1-C 3.49Å; Y26-Q31 HydrophobicContact CD1-CB 4Å; Y26-Q31 VanDerWaalsContact CD1-N 3.31Å; Y26-Q31 HydrophobicContact CD2-CG 4.38Å; Y26-Q31 HydrophobicContact CE1-CB 3.51Å; Y26-Q31 HydrophobicContact CE1-CG 4.22Å; Y26-Q31 HydrophobicContact CE2-CB 4.11Å; Y26-Q31 HydrophobicContact CE2-CG 3.88Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å
27V98.4Very high97.7Very high0 Ų033 Ų330%018%0.175CC..EExtended strand (participates in β ladder)trans-110.4118.9156.8177.20000106.1S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.58Å; S3-V27 VanDerWaalsContact O-CA 3.3Å; S3-V27 WeakPolarHBondContact O-CA 3.21Å; M4-V27 HydrophobicContact CG-CG2 4.35Å; V27-D29 PolarHBondContact O-N 2.95Å; V27-T30 PolarHBondContact N-O 3.36Å; V27-T30 WeakPolarHBondContact O-CB 3.45Å; V27-T30 PolarHBondContact O-N 3.02Å; V27-F32 HydrophobicContact CG2-CD1 4Å; V27-F32 HydrophobicContact CG2-CE1 4.03Å; V27-W50 HydrophobicContact CB-CH2 4.39Å; V27-W50 HydrophobicContact CB-CZ2 4.47Å; V27-W50 HydrophobicContact CG2-CH2 3.87Å; V27-W50 HydrophobicContact CG2-CZ2 4.43Å; V27-L167 HydrophobicContact CG1-CD1 3.62Å; V27-L167 HydrophobicContact CG2-CD1 4.29Å; V27-Y170 HydrophobicContact CG2-CD2 3.93Å; V27-Y170 HydrophobicContact CG2-CG 4.45Å; V27-L171 HydrophobicContact CG1-CD2 4.09Å; V27-L178 HydrophobicContact CB-CD1 4.26Å; V27-L178 HydrophobicContact CB-CD2 4.11Å; V27-L178 HydrophobicContact CG1-CD1 3.87Å; V27-L178 HydrophobicContact CG1-CD2 4.06Å; V27-L178 HydrophobicContact CG1-CG 4.48Å
28D96.8Very high98Very high31 Ų3134.2 Ų34.217%0.16617%0.168CC..THydrogen-bonded Turntrans48.7-123.6-165.7-53.7-42000110.5H2 S3H2-D28 WeakPolarHBondContact CA-OD1 3.34Å; H2-D28 IonicContact CE1-OD2 2.87Å; H2-D28 IonicContact CG-OD2 2.79Å; H2-D28 IonicContact ND1-OD1 3.17Å; H2-D28 IonicContact ND1-OD2 3.94Å; H2-D28 PolarHBondContact ND1-OD2 3.49Å; S3-D28 PolarHBondContact N-OD1 2.89Å; S3-D28 PolarHBondContact O-N 3.32Å; S3-D28 PolarHBondContact OG-OD1 3.37Å
29D96.6Very high98.1Very high64 Ų6431.2 Ų31.234%0.34216%0.16SC..THydrogen-bonded Turntrans-93.98.2179.6-61.2-53.9000113.4V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 2.95Å; D29-Y208 HydrophobicContact CB-CE2 4.02Å; D29-P209 VanDerWaalsContact OD2-CB 3.24Å; D29-P209 WeakPolarHBondContact OD2-CB 3.26Å; D29-A210 HydrophobicContact CB-CB 4.35Å; D29-A210 WeakPolarHBondContact OD2-CB 3.22Å; D29-A210 PolarHBondContact OD2-N 3Å; D29-F240 HydrophobicContact CB-CE2 3.79Å; D29-F240 HydrophobicContact CB-CZ 3.72Å
30T97.3Very high98.1Very high25 Ų2535.6 Ų35.615%0.15320%0.198CC..EExtended strand (participates in β ladder)trans-103.2113.8-177.6-61.80000111.7Y26 V27 F32 A48 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.44Å; Y26-T30 VanDerWaalsContact CD1-C 3.49Å; V27-T30 PolarHBondContact N-O 3.36Å; V27-T30 WeakPolarHBondContact O-CB 3.45Å; V27-T30 PolarHBondContact O-N 3.02Å; T30-F32 PolarHBondContact O-N 3.34Å; T30-A48 HydrophobicContact CG2-CB 4.46Å; T30-L178 HydrophobicContact CG2-CD2 4.1Å; T30-Y208 PolarHBondContact OG1-OH 3.28Å
31Q97.8Very high97.9Very high52 Ų5236.1 Ų36.124%0.24321%0.212CC..EExtended strand (participates in β ladder)trans-67.8129.7172.7-166.6179.83.200110.3V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.26Å; G25-Q31 WeakPolarHBondContact O-CA 3.45Å; Y26-Q31 HydrophobicContact CD1-CB 4Å; Y26-Q31 VanDerWaalsContact CD1-N 3.31Å; Y26-Q31 HydrophobicContact CD2-CG 4.38Å; Y26-Q31 HydrophobicContact CE1-CB 3.51Å; Y26-Q31 HydrophobicContact CE1-CG 4.22Å; Y26-Q31 HydrophobicContact CE2-CB 4.11Å; Y26-Q31 HydrophobicContact CE2-CG 3.88Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å; Q31-V33 PolarHBondContact NE2-O 2.95Å; Q31-R47 HydrophobicContact CG-CB 4.12Å; Q31-R47 HydrophobicContact CG-CG 4.36Å; Q31-R47 CarbonylContact O-C 3.56Å
32F98.2Very high97.9Very high0 Ų037.7 Ų37.70%022%0.223CC..EExtended strand (participates in β ladder)trans-121.2-22.4-179.876.2-82.8000114.3M4 Y6 G25 V27 T30 R47 A48 W50 V51 Y170M4-F32 HydrophobicContact CG-CE1 4.43Å; M4-F32 HydrophobicContact SD-CZ 4.34Å; Y6-F32 HydrophobicContact CE1-CZ 4.07Å; Y6-F32 HydrophobicContact CE2-CZ 4.5Å; Y6-F32 AromaticContact CZ-CZ 3.75Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.29Å; G25-F32 WeakPolarHBondContact O-CD1 3.33Å; G25-F32 PolarHBondContact O-N 3.02Å; V27-F32 HydrophobicContact CG2-CD1 4Å; V27-F32 HydrophobicContact CG2-CE1 4.03Å; T30-F32 PolarHBondContact O-N 3.34Å; F32-R47 PolarHBondContact O-N 3.03Å; F32-A48 HydrophobicContact CB-CB 4.1Å; F32-W50 HydrophobicContact CB-CH2 3.1Å; F32-W50 HydrophobicContact CB-CZ2 3.33Å; F32-W50 HydrophobicContact CB-CZ3 3.92Å; F32-W50 HydrophobicContact CD1-CH2 4.01Å; F32-W50 AromaticContact CD2-CH2 3.76Å; F32-W50 HydrophobicContact CD2-CH2 3.76Å; F32-W50 HydrophobicContact CD2-CZ3 4Å; F32-W50 AromaticContact CG-CH2 3.38Å; F32-W50 HydrophobicContact CG-CH2 3.38Å; F32-W50 HydrophobicContact CG-CZ2 4.08Å; F32-W50 HydrophobicContact CG-CZ3 4.09Å; F32-V51 HydrophobicContact CB-CG1 4.41Å; F32-V51 HydrophobicContact CD2-CB 4.38Å; F32-V51 HydrophobicContact CD2-CG1 4.5Å; F32-V51 HydrophobicContact CD2-CG2 4.11Å; F32-V51 VanDerWaalsContact O-CG1 3.26Å; F32-V51 WeakPolarHBondContact O-CG1 3.42Å; F32-Y170 HydrophobicContact CD2-CE2 4.37Å; F32-Y170 HydrophobicContact CE2-CD2 4.25Å; F32-Y170 AromaticContact CE2-CE2 3.58Å; F32-Y170 HydrophobicContact CE2-CE2 3.58Å; F32-Y170 AromaticContact CE2-CZ 3.85Å; F32-Y170 HydrophobicContact CZ-CD2 4.31Å; F32-Y170 AromaticContact CZ-CE2 3.75Å; F32-Y170 HydrophobicContact CZ-CE2 3.75Å
33V98.3Very high97.8Very high0 Ų042.8 Ų42.80%024%0.239CC..EExtended strand (participates in β ladder)trans-139.3153.1177-73.70000112.5Y6 V24 G25 Q31 E45 W59 Y66Y6-V33 HydrophobicContact CE1-CG2 3.92Å; V24-V33 WeakPolarHBondContact CA-O 3.43Å; G25-V33 PolarHBondContact N-O 2.88Å; G25-V33 PolarHBondContact O-N 3.4Å; Q31-V33 PolarHBondContact NE2-O 2.95Å; V33-E45 WeakPolarHBondContact CA-O 3.34Å; V33-W59 HydrophobicContact CG1-CH2 3.88Å; V33-W59 HydrophobicContact CG1-CZ3 3.82Å; V33-Y66 WeakPolarHBondContact CG2-OH 3.27Å
34R98.4Very high97.8Very high74 Ų7443 Ų4328%0.27924%0.242SC..EExtended strand (participates in β ladder)trans-141.6146.1170.9-179.5176.7172120.93.7110.9S23 V24 D36 E45 R47S23-R34 CarbonylContact O-C 3.58Å; S23-R34 WeakPolarHBondContact O-CA 3.41Å; V24-R34 HydrophobicContact CG1-CB 4.49Å; V24-R34 HydrophobicContact CG1-CG 4.23Å; R34-D36 IonicContact NH2-OD2 3.09Å; R34-D36 PolarHBondContact NH2-OD2 2.97Å; R34-E45 PolarHBondContact N-O 2.91Å; R34-E45 PolarHBondContact O-N 3.39Å; R34-R47 HydrophobicContact CB-CG 3.92Å
35F98.8Very high97.7Very high4 Ų444.5 Ų44.52%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-132.7142.7164.7178.7-86.3000109.6F21 I22 S23 P42 Y66 K67F21-F35 AromaticContact CD1-CD1 3.69Å; F21-F35 HydrophobicContact CD1-CD1 3.69Å; F21-F35 AromaticContact CD1-CE1 3.8Å; F21-F35 HydrophobicContact CD1-CE1 3.8Å; F21-F35 AromaticContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CE1 4.34Å; I22-F35 WeakPolarHBondContact CA-O 3.32Å; S23-F35 PolarHBondContact N-O 3.4Å; S23-F35 PolarHBondContact O-N 2.86Å; F35-P42 HydrophobicContact CE2-CB 3.88Å; F35-P42 HydrophobicContact CZ-CB 3.68Å; F35-Y66 HydrophobicContact CB-CD1 4.13Å; F35-Y66 HydrophobicContact CB-CD2 3.58Å; F35-Y66 HydrophobicContact CB-CE2 4.03Å; F35-Y66 HydrophobicContact CB-CG 3.65Å; F35-Y66 HydrophobicContact CD1-CG 4.35Å; F35-Y66 AromaticContact CD2-CD2 3.69Å; F35-Y66 HydrophobicContact CD2-CD2 3.69Å; F35-Y66 AromaticContact CD2-CG 3.89Å; F35-Y66 HydrophobicContact CD2-CG 3.89Å; F35-Y66 VanDerWaalsContact CG-CB 3.5Å; F35-Y66 AromaticContact CG-CD2 3.82Å; F35-Y66 HydrophobicContact CG-CD2 3.82Å; F35-Y66 AromaticContact CG-CG 3.71Å; F35-Y66 HydrophobicContact CG-CG 3.71Å; F35-K67 HydrophobicContact CE2-CG 4.32Å; F35-K67 HydrophobicContact CZ-CG 4.09Å
36D98.6Very high97.7Very high19 Ų1946.9 Ų46.910%0.10226%0.262CS..EExtended strand (participates in β ladder)trans-139.9119.9176.2-162-29.8000109.5R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 2.6Å; R20-D36 IonicContact CZ-OD2 3.15Å; R20-D36 IonicContact NE-OD1 3.07Å; R20-D36 PolarHBondContact NE-OD1 2.93Å; R20-D36 IonicContact NE-OD2 3.55Å; R20-D36 IonicContact NH2-OD1 3.23Å; R20-D36 PolarHBondContact NH2-OD1 2.97Å; R20-D36 IonicContact NH2-OD2 3.92Å; R20-D36 PolarHBondContact NH2-OD2 3.45Å; R34-D36 IonicContact NH2-OD2 3.09Å; R34-D36 PolarHBondContact NH2-OD2 2.97Å; D36-D38 PolarHBondContact O-N 3.41Å; D36-D38 PolarHBondContact OD1-N 3.36Å; D36-A39 HydrophobicContact CB-CB 4.41Å; D36-A39 WeakPolarHBondContact O-CB 3.41Å; D36-A39 PolarHBondContact O-N 3.4Å
37S98.3Very high97.6Very high35 Ų3549.5 Ų49.525%0.24527%0.271CS..THydrogen-bonded Turntrans-66-23.2-179.366.40000113.3R20 F21 A39 P42R20-S37 WeakPolarHBondContact CA-OG 3.46Å; F21-S37 PolarHBondContact N-OG 2.92Å; F21-S37 PolarHBondContact O-N 3.47Å; F21-S37 PolarHBondContact O-OG 3.35Å; S37-A39 VanDerWaalsContact C-N 3.32Å; S37-P42 WeakPolarHBondContact O-CG 3.37Å
38D97.4Very high97.5Very high83 Ų8349.7 Ų49.744%0.44427%0.273SS..THydrogen-bonded Turntrans-86.9-3.9-179.4-73.38.1000112.2R13 R20 D36R13-D38 IonicContact CZ-OD2 3.7Å; R13-D38 IonicContact NH1-OD1 3.09Å; R13-D38 IonicContact NH1-OD2 3.99Å; R13-D38 PolarHBondContact NH1-OD2 3.25Å; R13-D38 IonicContact NH2-OD2 3.79Å; R20-D38 VanDerWaalsContact CD-OD2 3.22Å; R20-D38 WeakPolarHBondContact CD-OD2 3.39Å; R20-D38 HydrophobicContact CG-CB 4.43Å; R20-D38 IonicContact NE-OD2 2.61Å; D36-D38 PolarHBondContact O-N 3.41Å; D36-D38 PolarHBondContact OD1-N 3.36Å
39A97.1Very high97.5Very high33 Ų3353.1 Ų53.127%0.27330%0.297SS..SBendtrans-62.5148.9174.700000110.9D36 S37 S41 P42D36-A39 HydrophobicContact CB-CB 4.41Å; D36-A39 WeakPolarHBondContact O-CB 3.41Å; D36-A39 PolarHBondContact O-N 3.4Å; S37-A39 VanDerWaalsContact C-N 3.32Å; A39-S41 PolarHBondContact O-N 3.03Å; A39-S41 VanDerWaalsContact O-N 3.15Å; A39-P42 WeakPolarHBondContact O-CD 3.49Å; A39-P42 VanDerWaalsContact O-CG 3.28Å; A39-P42 WeakPolarHBondContact O-CG 3.49Å
40A96.7Very high97.4Very high117 Ų11750.8 Ų50.897%0.96728%0.283SS*.SBendtrans-58.7-31179.600000113
41S95.9Very high97.4Very high80 Ų8049.6 Ų49.656%0.55928%0.276SS*.SBendtrans-134.289.2171.5-173.40000109.1A39 R43A39-S41 PolarHBondContact O-N 3.03Å; A39-S41 VanDerWaalsContact O-N 3.15Å; S41-R43 PolarHBondContact O-N 3.36Å; S41-R43 VanDerWaalsContact O-N 3.09Å
42P96.9Very high97.3Very high36 Ų3653 Ų5323%0.23429%0.292CS..  trans-64.9111.3-175.2-23.835.1000112F35 S37 A39 K67F35-P42 HydrophobicContact CE2-CB 3.88Å; F35-P42 HydrophobicContact CZ-CB 3.68Å; S37-P42 WeakPolarHBondContact O-CG 3.37Å; A39-P42 WeakPolarHBondContact O-CD 3.49Å; A39-P42 VanDerWaalsContact O-CG 3.28Å; A39-P42 WeakPolarHBondContact O-CG 3.49Å; P42-K67 WeakPolarHBondContact O-CE 3.48Å; P42-K67 PolarHBondContact O-NZ 2.94Å
43R97.8Very high97.2Very high151 Ų15158.9 Ų58.957%0.5732%0.32SS*.  trans-146.3160.5176.863.3-176.5173.6175.10110.7S41 E45 T63S41-R43 PolarHBondContact O-N 3.36Å; S41-R43 VanDerWaalsContact O-N 3.09Å; R43-E45 HydrophobicContact CG-CG 4.36Å; R43-E45 PolarHBondContact O-N 3.4Å; R43-T63 HydrophobicContact CB-CG2 4.18Å
44G97.6Very high97.1Very high5 Ų559.4 Ų59.45%0.05232%0.322CS..  trans-64.6128.9168.200000109.6T63G44-T63 PolarHBondContact N-OG1 2.95Å
45E97.8Very high97Very high57 Ų5757.5 Ų57.527%0.26633%0.325SS..EExtended strand (participates in β ladder)trans-116.4133.3-178.8-65.1178.2163.800109.9V33 R34 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.34Å; R34-E45 PolarHBondContact N-O 2.91Å; R34-E45 PolarHBondContact O-N 3.39Å; R43-E45 HydrophobicContact CG-CG 4.36Å; R43-E45 PolarHBondContact O-N 3.4Å; E45-R47 IonicContact OE2-CZ 2.62Å; E45-R47 IonicContact OE2-NH2 2.8Å; E45-R47 PolarHBondContact OE2-NH2 3.45Å
46P97.9Very high96.9Very high49 Ų4962 Ų6232%0.31836%0.355SS..EExtended strand (participates in β ladder)trans-65.9144.7172.528.5-33.8000110.6V51 E52 W59P46-V51 HydrophobicContact CB-CG1 3.78Å; P46-E52 HydrophobicContact CB-CG 3.69Å; P46-E52 HydrophobicContact CG-CG 3.94Å; P46-W59 HydrophobicContact CB-CH2 3.63Å; P46-W59 HydrophobicContact CB-CZ2 3.79Å; P46-W59 HydrophobicContact CG-CH2 4.25Å; P46-W59 HydrophobicContact CG-CZ2 4.24Å
47R97.3Very high96.8Very high124 Ų12469 Ų6947%0.46839%0.387SS..  trans-127.3-0.3175-60.5-64.8171.7176.8-2.7113Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.12Å; Q31-R47 HydrophobicContact CG-CG 4.36Å; Q31-R47 CarbonylContact O-C 3.56Å; F32-R47 PolarHBondContact O-N 3.03Å; R34-R47 HydrophobicContact CB-CG 3.92Å; E45-R47 IonicContact OE2-CZ 2.62Å; E45-R47 IonicContact OE2-NH2 2.8Å; E45-R47 PolarHBondContact OE2-NH2 3.45Å
48A96.1Very high96.8Very high5 Ų567.8 Ų67.84%0.04138%0.377CS..SBendtrans-138.5144173.300000111T30 F32 W50 V51T30-A48 HydrophobicContact CG2-CB 4.46Å; F32-A48 HydrophobicContact CB-CB 4.1Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.16Å; A48-W50 HydrophobicContact CB-CG 4.36Å; A48-W50 HydrophobicContact CB-CZ2 3.98Å; A48-W50 PolarHBondContact O-N 2.92Å; A48-V51 VanDerWaalsContact O-CG1 3.22Å; A48-V51 WeakPolarHBondContact O-CG1 3.18Å; A48-V51 PolarHBondContact O-N 2.85Å
49P96Very high96.8Very high103 Ų10365.7 Ų65.767%0.66936%0.363SS*.Hα-helixtrans-58.4-37.2-177.3-26.434.7000114V51 E52P49-V51 PolarHBondContact O-N 3.47Å; P49-E52 WeakPolarHBondContact O-CB 3.1Å; P49-E52 PolarHBondContact O-N 2.95Å; P49-E52 VanDerWaalsContact O-N 3.09Å
50W96Very high96.8Very high14 Ų1469.2 Ų69.25%0.05338%0.377CS..Hα-helixtrans-70.5-13.2-175.953.5-105.9000114.5V27 F32 A48 Q53 Y170 N173 L178V27-W50 HydrophobicContact CB-CH2 4.39Å; V27-W50 HydrophobicContact CB-CZ2 4.47Å; V27-W50 HydrophobicContact CG2-CH2 3.87Å; V27-W50 HydrophobicContact CG2-CZ2 4.43Å; F32-W50 HydrophobicContact CB-CH2 3.1Å; F32-W50 HydrophobicContact CB-CZ2 3.33Å; F32-W50 HydrophobicContact CB-CZ3 3.92Å; F32-W50 HydrophobicContact CD1-CH2 4.01Å; F32-W50 AromaticContact CD2-CH2 3.76Å; F32-W50 HydrophobicContact CD2-CH2 3.76Å; F32-W50 HydrophobicContact CD2-CZ3 4Å; F32-W50 AromaticContact CG-CH2 3.38Å; F32-W50 HydrophobicContact CG-CH2 3.38Å; F32-W50 HydrophobicContact CG-CZ2 4.08Å; F32-W50 HydrophobicContact CG-CZ3 4.09Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.16Å; A48-W50 HydrophobicContact CB-CG 4.36Å; A48-W50 HydrophobicContact CB-CZ2 3.98Å; A48-W50 PolarHBondContact O-N 2.92Å; W50-Q53 WeakPolarHBondContact O-CG 3.09Å; W50-Y170 HydrophobicContact CE3-CD1 4.28Å; W50-Y170 HydrophobicContact CE3-CG 4.47Å; W50-Y170 HydrophobicContact CH2-CD2 4.47Å; W50-Y170 HydrophobicContact CH2-CG 4.13Å; W50-Y170 AromaticContact CZ3-CD1 3.63Å; W50-Y170 HydrophobicContact CZ3-CD1 3.63Å; W50-Y170 HydrophobicContact CZ3-CD2 4.24Å; W50-Y170 HydrophobicContact CZ3-CE1 4.36Å; W50-Y170 AromaticContact CZ3-CG 3.57Å; W50-Y170 HydrophobicContact CZ3-CG 3.57Å; W50-N173 HydrophobicContact CB-CB 4.44Å; W50-L178 HydrophobicContact CD2-CD1 4.41Å; W50-L178 HydrophobicContact CH2-CD1 4.34Å; W50-L178 HydrophobicContact CZ2-CD1 3.83Å; W50-L178 HydrophobicContact CZ2-CD2 4.1Å; W50-L178 HydrophobicContact CZ2-CG 4.37Å
51V97.3Very high96.9Very high0 Ų068.3 Ų68.30%035%0.349CS..Hα-helixtrans-95-16.7172730000112F32 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-V51 HydrophobicContact CB-CG1 4.41Å; F32-V51 HydrophobicContact CD2-CB 4.38Å; F32-V51 HydrophobicContact CD2-CG1 4.5Å; F32-V51 HydrophobicContact CD2-CG2 4.11Å; F32-V51 VanDerWaalsContact O-CG1 3.26Å; F32-V51 WeakPolarHBondContact O-CG1 3.42Å; P46-V51 HydrophobicContact CB-CG1 3.78Å; A48-V51 VanDerWaalsContact O-CG1 3.22Å; A48-V51 WeakPolarHBondContact O-CG1 3.18Å; A48-V51 PolarHBondContact O-N 2.85Å; P49-V51 PolarHBondContact O-N 3.47Å; V51-Q53 PolarHBondContact O-N 3.16Å; V51-E54 HydrophobicContact CG2-CG 3.92Å; V51-E54 WeakPolarHBondContact O-CB 3.37Å; V51-E54 WeakPolarHBondContact O-CG 3.4Å; V51-E54 PolarHBondContact O-N 3.14Å; V51-Y58 HydrophobicContact CG2-CE1 4.09Å; V51-W59 HydrophobicContact CG1-CH2 4.03Å; V51-W59 HydrophobicContact CG1-CZ2 4.25Å; V51-W59 HydrophobicContact CG2-CH2 3.96Å; V51-W59 HydrophobicContact CG2-CZ2 4Å; V51-W59 WeakPolarHBondContact O-CZ2 3.42Å; V51-Y170 HydrophobicContact CG2-CE1 4.43Å
52E95.6Very high96.9Very high125 Ų12565 Ų6558%0.58432%0.324SS*.Hα-helixtrans-63.3-25.5179.8-65.6-178-178.900112.8P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.69Å; P46-E52 HydrophobicContact CG-CG 3.94Å; P49-E52 WeakPolarHBondContact O-CB 3.1Å; P49-E52 PolarHBondContact O-N 2.95Å; P49-E52 VanDerWaalsContact O-N 3.09Å; E52-E54 PolarHBondContact O-N 3.4Å
53Q94.8Very high97Very high123 Ų12363.8 Ų63.858%0.57532%0.317SS*.THydrogen-bonded Turntrans-70.5-11.7175.267.6-179.216.900114.1W50 V51 N173W50-Q53 WeakPolarHBondContact O-CG 3.09Å; V51-Q53 PolarHBondContact O-N 3.16Å; Q53-N173 VanDerWaalsContact NE2-CB 3.27Å; Q53-N173 PolarHBondContact NE2-ND2 3.03Å; Q53-N173 PolarHBondContact NE2-OD1 2.83Å
54E96.7Very high97Very high11 Ų1161.6 Ų61.65%0.05131%0.313CS..SBendtrans-66.6136.7175.4-65.3-61.7161.400110.9V51 E52 Y58 W59 R169 N173V51-E54 HydrophobicContact CG2-CG 3.92Å; V51-E54 WeakPolarHBondContact O-CB 3.37Å; V51-E54 WeakPolarHBondContact O-CG 3.4Å; V51-E54 PolarHBondContact O-N 3.14Å; E52-E54 PolarHBondContact O-N 3.4Å; E54-Y58 HydrophobicContact CB-CD1 3.5Å; E54-Y58 HydrophobicContact CB-CD2 4.47Å; E54-Y58 HydrophobicContact CB-CE1 4.11Å; E54-Y58 HydrophobicContact CB-CG 3.73Å; E54-Y58 HydrophobicContact CG-CD1 4.06Å; E54-Y58 HydrophobicContact CG-CD2 4.44Å; E54-Y58 HydrophobicContact CG-CE1 4.26Å; E54-Y58 HydrophobicContact CG-CG 4.17Å; E54-W59 PolarHBondContact O-NE1 3.34Å; E54-W59 VanDerWaalsContact O-NE1 3.07Å; E54-R169 IonicContact OE1-CZ 3.8Å; E54-R169 IonicContact OE1-NE 3.31Å; E54-R169 PolarHBondContact OE1-NE 2.93Å; E54-R169 IonicContact OE1-NH2 3.53Å; E54-R169 PolarHBondContact OE1-NH2 2.68Å; E54-R169 IonicContact OE2-CZ 3.78Å; E54-R169 IonicContact OE2-NE 2.74Å; E54-R169 PolarHBondContact OE2-NE 3.29Å; E54-R169 IonicContact OE2-NH2 2.96Å; E54-R169 PolarHBondContact OE2-NH2 3.16Å; E54-N173 PolarHBondContact OE1-ND2 3.2Å; E54-N173 VanDerWaalsContact OE1-ND2 3.14Å
55G95.8Very high97Very high33 Ų3364.7 Ų64.734%0.3433%0.325SS..  trans-70.4169.9-174.200000114.3E57 Y58 W59G55-E57 PolarHBondContact O-N 3.25Å; G55-Y58 WeakPolarHBondContact O-CB 3.34Å; G55-Y58 PolarHBondContact O-N 3.48Å; G55-W59 PolarHBondContact O-N 2.96Å
56P96.8Very high97Very high100 Ų10062.5 Ų62.565%0.64931%0.314SS*.Hα-helixtrans-57.7-35.6-178.623.1-33.6000113.2Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 2.88Å; P56-W59 PolarHBondContact O-N 2.98Å; P56-W59 VanDerWaalsContact O-N 3.16Å; P56-D60 WeakPolarHBondContact O-CB 3.36Å; P56-D60 PolarHBondContact O-N 3.04Å
57E97.4Very high97Very high166 Ų16664 Ų6478%0.77632%0.316SS*.Hα-helixtrans-60.4-35.7177.9-63.3178.6179.300112.9G55 R61G55-E57 PolarHBondContact O-N 3.25Å; E57-R61 VanDerWaalsContact O-CB 3.24Å; E57-R61 WeakPolarHBondContact O-CB 3.17Å; E57-R61 PolarHBondContact O-N 3.37Å
58Y97.4Very high97.1Very high9 Ų965.4 Ų65.44%0.03532%0.321CS..Hα-helixtrans-64.1-52.4174.3168.6-92.3000110V51 E54 G55 P56 D60 R61 E62 W166 Y170V51-Y58 HydrophobicContact CG2-CE1 4.09Å; E54-Y58 HydrophobicContact CB-CD1 3.5Å; E54-Y58 HydrophobicContact CB-CD2 4.47Å; E54-Y58 HydrophobicContact CB-CE1 4.11Å; E54-Y58 HydrophobicContact CB-CG 3.73Å; E54-Y58 HydrophobicContact CG-CD1 4.06Å; E54-Y58 HydrophobicContact CG-CD2 4.44Å; E54-Y58 HydrophobicContact CG-CE1 4.26Å; E54-Y58 HydrophobicContact CG-CG 4.17Å; G55-Y58 WeakPolarHBondContact O-CB 3.34Å; G55-Y58 PolarHBondContact O-N 3.48Å; P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 2.88Å; Y58-D60 VanDerWaalsContact C-N 3.34Å; Y58-D60 PolarHBondContact O-N 2.95Å; Y58-R61 PolarHBondContact O-N 3.19Å; Y58-E62 HydrophobicContact CD1-CG 4.35Å; Y58-E62 HydrophobicContact CD2-CG 4.16Å; Y58-E62 HydrophobicContact CE1-CG 3.94Å; Y58-E62 HydrophobicContact CE2-CG 3.71Å; Y58-E62 HydrophobicContact CG-CG 4.44Å; Y58-E62 WeakPolarHBondContact O-CG 3.41Å; Y58-E62 PolarHBondContact O-N 2.69Å; Y58-W166 AromaticContact CD2-CH2 3.56Å; Y58-W166 HydrophobicContact CD2-CH2 3.56Å; Y58-W166 HydrophobicContact CD2-CZ2 4.3Å; Y58-W166 AromaticContact CD2-CZ3 3.71Å; Y58-W166 HydrophobicContact CD2-CZ3 3.71Å; Y58-W166 HydrophobicContact CE2-CE3 4.17Å; Y58-W166 AromaticContact CE2-CH2 3.95Å; Y58-W166 HydrophobicContact CE2-CH2 3.95Å; Y58-W166 AromaticContact CE2-CZ3 3.69Å; Y58-W166 HydrophobicContact CE2-CZ3 3.69Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.43Å; Y58-Y170 PolarHBondContact OH-OH 3.25Å
59W98Very high97.2Very high38 Ų3867.1 Ų67.114%0.14433%0.328CS..Hα-helixtrans-64.2-37.8-177.4-67.8111.8000113V33 P46 V51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 3.88Å; V33-W59 HydrophobicContact CG1-CZ3 3.82Å; P46-W59 HydrophobicContact CB-CH2 3.63Å; P46-W59 HydrophobicContact CB-CZ2 3.79Å; P46-W59 HydrophobicContact CG-CH2 4.25Å; P46-W59 HydrophobicContact CG-CZ2 4.24Å; V51-W59 HydrophobicContact CG1-CH2 4.03Å; V51-W59 HydrophobicContact CG1-CZ2 4.25Å; V51-W59 HydrophobicContact CG2-CH2 3.96Å; V51-W59 HydrophobicContact CG2-CZ2 4Å; V51-W59 WeakPolarHBondContact O-CZ2 3.42Å; E54-W59 PolarHBondContact O-NE1 3.34Å; E54-W59 VanDerWaalsContact O-NE1 3.07Å; G55-W59 PolarHBondContact O-N 2.96Å; P56-W59 PolarHBondContact O-N 2.98Å; P56-W59 VanDerWaalsContact O-N 3.16Å; W59-T63 WeakPolarHBondContact O-CB 3.38Å; W59-T63 PolarHBondContact O-N 2.92Å; W59-T63 PolarHBondContact O-OG1 2.89Å
60D97.9Very high97.3Very high107 Ų10763.2 Ų63.257%0.57231%0.305SS*.Hα-helixtrans-64.3-47.3174.1-75.6-22.5000110.7P56 Y58 T63 Q64P56-D60 WeakPolarHBondContact O-CB 3.36Å; P56-D60 PolarHBondContact O-N 3.04Å; Y58-D60 VanDerWaalsContact C-N 3.34Å; Y58-D60 PolarHBondContact O-N 2.95Å; D60-T63 PolarHBondContact O-N 3.04Å; D60-Q64 VanDerWaalsContact O-CG 3.31Å; D60-Q64 WeakPolarHBondContact O-CG 3.5Å; D60-Q64 PolarHBondContact O-N 2.8Å
61R97.2Very high97.4Very high99 Ų9968.8 Ų68.837%0.37433%0.332SS..Hα-helixtrans-62.1-46.7178.6-174.1-175.267.4-149.9-5112.1E57 Y58 Q64 K65E57-R61 VanDerWaalsContact O-CB 3.24Å; E57-R61 WeakPolarHBondContact O-CB 3.17Å; E57-R61 PolarHBondContact O-N 3.37Å; Y58-R61 PolarHBondContact O-N 3.19Å; R61-Q64 PolarHBondContact O-N 2.93Å; R61-K65 WeakPolarHBondContact O-CG 3.23Å; R61-K65 PolarHBondContact O-N 2.89Å
62E97.4Very high97.4Very high9 Ų970.7 Ų70.74%0.04235%0.347CS..Hα-helixtrans-65.2-42.6178.3-65-43.1119.400111.1Y58 Q64 K65 Y66Y58-E62 HydrophobicContact CD1-CG 4.35Å; Y58-E62 HydrophobicContact CD2-CG 4.16Å; Y58-E62 HydrophobicContact CE1-CG 3.94Å; Y58-E62 HydrophobicContact CE2-CG 3.71Å; Y58-E62 HydrophobicContact CG-CG 4.44Å; Y58-E62 WeakPolarHBondContact O-CG 3.41Å; Y58-E62 PolarHBondContact O-N 2.69Å; E62-Q64 VanDerWaalsContact C-N 3.3Å; E62-Q64 PolarHBondContact O-N 2.72Å; E62-K65 WeakPolarHBondContact O-CB 3.43Å; E62-K65 PolarHBondContact O-N 3.02Å; E62-K65 VanDerWaalsContact O-N 3.07Å; E62-K65 IonicContact OE1-NZ 2.76Å; E62-K65 PolarHBondContact OE1-NZ 2.71Å; E62-K65 WeakPolarHBondContact OE2-CD 3.46Å; E62-K65 IonicContact OE2-NZ 3.48Å; E62-K65 PolarHBondContact OE2-NZ 2.81Å; E62-Y66 HydrophobicContact CB-CE2 4.02Å; E62-Y66 WeakPolarHBondContact O-CD2 3.32Å; E62-Y66 PolarHBondContact O-N 2.62Å
63T98.3Very high97.5Very high12 Ų1265.1 Ų65.17%0.07432%0.322CS..Hα-helixtrans-56.8-43.3173.9-64.20000112.1R43 G44 W59 D60 Y66 K67R43-T63 HydrophobicContact CB-CG2 4.18Å; G44-T63 PolarHBondContact N-OG1 2.95Å; W59-T63 WeakPolarHBondContact O-CB 3.38Å; W59-T63 PolarHBondContact O-N 2.92Å; W59-T63 PolarHBondContact O-OG1 2.89Å; D60-T63 PolarHBondContact O-N 3.04Å; T63-Y66 PolarHBondContact O-N 2.8Å; T63-K67 HydrophobicContact CG2-CD 4.16Å; T63-K67 WeakPolarHBondContact O-CG 3.36Å; T63-K67 PolarHBondContact O-N 3.21Å
64Q98.2Very high97.6Very high105 Ų10563.4 Ų63.449%0.49131%0.31SS..Hα-helixtrans-69.2-32.6177.1-67.8-57.7-29.400112.8D60 R61 E62 R68D60-Q64 VanDerWaalsContact O-CG 3.31Å; D60-Q64 WeakPolarHBondContact O-CG 3.5Å; D60-Q64 PolarHBondContact O-N 2.8Å; R61-Q64 PolarHBondContact O-N 2.93Å; E62-Q64 VanDerWaalsContact C-N 3.3Å; E62-Q64 PolarHBondContact O-N 2.72Å; Q64-R68 WeakPolarHBondContact O-CB 3.03Å; Q64-R68 WeakPolarHBondContact O-CG 3.32Å; Q64-R68 PolarHBondContact O-N 3.38Å; Q64-R68 PolarHBondContact O-NE 3.31Å
65K97.1Very high97.7Very high70 Ų7065.9 Ų65.930%0.30433%0.326SS..Hα-helixtrans-63.6-49.5171.8-73.1171.5178.6173.30110.9R61 E62 K67 R68 Q69R61-K65 WeakPolarHBondContact O-CG 3.23Å; R61-K65 PolarHBondContact O-N 2.89Å; E62-K65 WeakPolarHBondContact O-CB 3.43Å; E62-K65 PolarHBondContact O-N 3.02Å; E62-K65 VanDerWaalsContact O-N 3.07Å; E62-K65 IonicContact OE1-NZ 2.76Å; E62-K65 PolarHBondContact OE1-NZ 2.71Å; E62-K65 WeakPolarHBondContact OE2-CD 3.46Å; E62-K65 IonicContact OE2-NZ 3.48Å; E62-K65 PolarHBondContact OE2-NZ 2.81Å; K65-K67 VanDerWaalsContact C-N 3.34Å; K65-K67 PolarHBondContact O-N 3.23Å; K65-R68 PolarHBondContact O-N 3.5Å; K65-Q69 PolarHBondContact O-N 3.05Å
66Y98.4Very high97.8Very high10 Ų1066.9 Ų66.94%0.03932%0.323CS..Hα-helixtrans-59.5-42.8177.9-62.1-50.5000112.4S23 V33 F35 E62 T63 R68 Q69 A70S23-Y66 WeakPolarHBondContact OG-CE1 3.42Å; V33-Y66 WeakPolarHBondContact CG2-OH 3.27Å; F35-Y66 HydrophobicContact CB-CD1 4.13Å; F35-Y66 HydrophobicContact CB-CD2 3.58Å; F35-Y66 HydrophobicContact CB-CE2 4.03Å; F35-Y66 HydrophobicContact CB-CG 3.65Å; F35-Y66 HydrophobicContact CD1-CG 4.35Å; F35-Y66 AromaticContact CD2-CD2 3.69Å; F35-Y66 HydrophobicContact CD2-CD2 3.69Å; F35-Y66 AromaticContact CD2-CG 3.89Å; F35-Y66 HydrophobicContact CD2-CG 3.89Å; F35-Y66 VanDerWaalsContact CG-CB 3.5Å; F35-Y66 AromaticContact CG-CD2 3.82Å; F35-Y66 HydrophobicContact CG-CD2 3.82Å; F35-Y66 AromaticContact CG-CG 3.71Å; F35-Y66 HydrophobicContact CG-CG 3.71Å; E62-Y66 HydrophobicContact CB-CE2 4.02Å; E62-Y66 WeakPolarHBondContact O-CD2 3.32Å; E62-Y66 PolarHBondContact O-N 2.62Å; T63-Y66 PolarHBondContact O-N 2.8Å; Y66-R68 PolarHBondContact O-N 3.38Å; Y66-Q69 PolarHBondContact O-N 2.93Å; Y66-A70 WeakPolarHBondContact O-CB 3.21Å; Y66-A70 PolarHBondContact O-N 2.94Å
67K98.3Very high97.8Very high82 Ų8262.5 Ų62.536%0.35729%0.294SS..Hα-helixtrans-62.9-40.3176.6-74.2177.9178.5176.60112.7F35 P42 T63 K65 Q71F35-K67 HydrophobicContact CE2-CG 4.32Å; F35-K67 HydrophobicContact CZ-CG 4.09Å; P42-K67 WeakPolarHBondContact O-CE 3.48Å; P42-K67 PolarHBondContact O-NZ 2.94Å; T63-K67 HydrophobicContact CG2-CD 4.16Å; T63-K67 WeakPolarHBondContact O-CG 3.36Å; T63-K67 PolarHBondContact O-N 3.21Å; K65-K67 VanDerWaalsContact C-N 3.34Å; K65-K67 PolarHBondContact O-N 3.23Å; K67-Q71 WeakPolarHBondContact O-CG 3.11Å; K67-Q71 PolarHBondContact O-N 2.85Å; K67-Q71 VanDerWaalsContact O-N 3.15Å
68R98.2Very high97.8Very high153 Ų15360.5 Ų60.558%0.57728%0.28SS*.Hα-helixtrans-66.2-42.3174.9-76.1-175.5-69.2170.1-1.4111.8Q64 K65 Y66 Q71 A72Q64-R68 WeakPolarHBondContact O-CB 3.03Å; Q64-R68 WeakPolarHBondContact O-CG 3.32Å; Q64-R68 PolarHBondContact O-N 3.38Å; Q64-R68 PolarHBondContact O-NE 3.31Å; K65-R68 PolarHBondContact O-N 3.5Å; Y66-R68 PolarHBondContact O-N 3.38Å; R68-Q71 PolarHBondContact O-N 3.09Å; R68-A72 PolarHBondContact O-N 3.4Å
69Q98.1Very high97.8Very high40 Ų4064.9 Ų64.919%0.18730%0.299CS..Hα-helixtrans-63.9-45.2177-172.158.148.400111.4F21 K65 Y66 Q71 A72 D73F21-Q69 HydrophobicContact CE2-CB 4.29Å; F21-Q69 HydrophobicContact CE2-CG 3.71Å; F21-Q69 HydrophobicContact CZ-CB 3.89Å; F21-Q69 HydrophobicContact CZ-CG 3.61Å; K65-Q69 PolarHBondContact O-N 3.05Å; Y66-Q69 PolarHBondContact O-N 2.93Å; Q69-Q71 VanDerWaalsContact C-N 3.28Å; Q69-Q71 PolarHBondContact O-N 2.89Å; Q69-A72 WeakPolarHBondContact O-CB 3.42Å; Q69-A72 PolarHBondContact O-N 3.09Å; Q69-D73 PolarHBondContact NE2-OD1 2.82Å; Q69-D73 PolarHBondContact NE2-OD2 3.34Å; Q69-D73 PolarHBondContact O-N 3.12Å
70A98.2Very high97.7Very high22 Ų2263.4 Ų63.418%0.18229%0.294CS..Hα-helixtrans-56.4-41.2174.600000112.8F21 Y66 R74F21-A70 HydrophobicContact CB-CB 3.62Å; F21-A70 HydrophobicContact CD1-CB 3.67Å; F21-A70 HydrophobicContact CD2-CB 4.14Å; F21-A70 HydrophobicContact CE1-CB 4.36Å; F21-A70 HydrophobicContact CG-CB 3.54Å; Y66-A70 WeakPolarHBondContact O-CB 3.21Å; Y66-A70 PolarHBondContact O-N 2.94Å; A70-R74 WeakPolarHBondContact O-CB 3.15Å; A70-R74 PolarHBondContact O-N 3.17Å
71Q97.9Very high97.7Very high131 Ų13161.2 Ų61.261%0.61228%0.277SS*.Hα-helixtrans-67.2-41.9175-73.2178.3-10.500112.4K67 R68 Q69 V75K67-Q71 WeakPolarHBondContact O-CG 3.11Å; K67-Q71 PolarHBondContact O-N 2.85Å; K67-Q71 VanDerWaalsContact O-N 3.15Å; R68-Q71 PolarHBondContact O-N 3.09Å; Q69-Q71 VanDerWaalsContact C-N 3.28Å; Q69-Q71 PolarHBondContact O-N 2.89Å; Q71-V75 PolarHBondContact O-N 2.67Å
72A97.6Very high97.7Very high40 Ų4058.6 Ų58.633%0.33128%0.281SS..Hα-helixtrans-61.5-46175.900000111R68 Q69 R74 V75 N76R68-A72 PolarHBondContact O-N 3.4Å; Q69-A72 WeakPolarHBondContact O-CB 3.42Å; Q69-A72 PolarHBondContact O-N 3.09Å; A72-R74 PolarHBondContact O-N 3.2Å; A72-V75 CarbonylContact O-C 3.56Å; A72-V75 WeakPolarHBondContact O-CA 3.24Å; A72-V75 WeakPolarHBondContact O-CB 3.49Å; A72-V75 PolarHBondContact O-N 3.08Å; A72-N76 PolarHBondContact O-N 3.04Å; A72-N76 PolarHBondContact O-ND2 3.02Å
73D97.8Very high97.7Very high8 Ų860.9 Ų60.94%0.04329%0.29CS..Hα-helixtrans-69.3-33.6-178.2-70.7-22.4000112.9A10 F21 Q69 V75 N76 L77 L94A10-D73 HydrophobicContact CB-CB 3.66Å; F21-D73 VanDerWaalsContact CE2-OD2 3.3Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.43Å; Q69-D73 PolarHBondContact NE2-OD1 2.82Å; Q69-D73 PolarHBondContact NE2-OD2 3.34Å; Q69-D73 PolarHBondContact O-N 3.12Å; D73-V75 VanDerWaalsContact C-N 3.28Å; D73-V75 PolarHBondContact O-N 2.99Å; D73-N76 PolarHBondContact O-N 2.88Å; D73-L77 WeakPolarHBondContact O-CB 3.39Å; D73-L77 VanDerWaalsContact O-CG 3.29Å; D73-L77 WeakPolarHBondContact O-CG 3.31Å; D73-L77 PolarHBondContact O-N 3.3Å; D73-L94 HydrophobicContact CB-CD2 4.12Å
74R97.6Very high97.6Very high86 Ų8663.4 Ų63.433%0.32530%0.298SS..Hα-helixtrans-56-44.1167.9176.1-171.8179.5-164.91111.8E18 P19 A70 A72E18-R74 VanDerWaalsContact CD-NE 3.27Å; E18-R74 IonicContact OE1-CZ 3.69Å; E18-R74 IonicContact OE1-NE 3.66Å; E18-R74 IonicContact OE1-NH1 2.72Å; E18-R74 IonicContact OE1-NH2 3.4Å; E18-R74 PolarHBondContact OE1-NH2 2.94Å; E18-R74 WeakPolarHBondContact OE2-CD 3.39Å; E18-R74 IonicContact OE2-CZ 3.8Å; E18-R74 IonicContact OE2-NE 3.82Å; E18-R74 PolarHBondContact OE2-NE 3.36Å; E18-R74 IonicContact OE2-NH2 3.02Å; E18-R74 PolarHBondContact OE2-NH2 3.29Å; P19-R74 HydrophobicContact CG-CB 4.37Å; P19-R74 HydrophobicContact CG-CG 4.21Å; A70-R74 WeakPolarHBondContact O-CB 3.15Å; A70-R74 PolarHBondContact O-N 3.17Å; A72-R74 PolarHBondContact O-N 3.2Å
75V97.6Very high97.6Very high64 Ų6465.6 Ų65.639%0.38831%0.313SS..Hα-helixtrans-70.9-40.7177.5174.50000110.7Q71 A72 D73 R78 K79Q71-V75 PolarHBondContact O-N 2.67Å; A72-V75 CarbonylContact O-C 3.56Å; A72-V75 WeakPolarHBondContact O-CA 3.24Å; A72-V75 WeakPolarHBondContact O-CB 3.49Å; A72-V75 PolarHBondContact O-N 3.08Å; D73-V75 VanDerWaalsContact C-N 3.28Å; D73-V75 PolarHBondContact O-N 2.99Å; V75-R78 PolarHBondContact O-N 2.81Å; V75-K79 HydrophobicContact CG1-CD 4.27Å; V75-K79 PolarHBondContact O-N 3.4Å; V75-K79 VanDerWaalsContact O-N 3.09Å
76N97.9Very high97.6Very high54 Ų5465.2 Ų65.229%0.28931%0.313SS..Hα-helixtrans-64.4-42.4179.9-67.4-27.1000111.7A72 D73 R78 K79 L80 L94A72-N76 PolarHBondContact O-N 3.04Å; A72-N76 PolarHBondContact O-ND2 3.02Å; D73-N76 PolarHBondContact O-N 2.88Å; N76-R78 VanDerWaalsContact C-N 3.27Å; N76-R78 PolarHBondContact O-N 2.86Å; N76-K79 PolarHBondContact O-N 2.86Å; N76-K79 VanDerWaalsContact O-N 3.07Å; N76-L80 WeakPolarHBondContact O-CB 3.44Å; N76-L80 VanDerWaalsContact O-CG 3.27Å; N76-L80 WeakPolarHBondContact O-CG 3.41Å; N76-L80 PolarHBondContact O-N 2.82Å; N76-L94 HydrophobicContact CB-CD2 3.72Å
77L98.1Very high97.3Very high7 Ų768.4 Ų68.44%0.03734%0.336CS..Hα-helixtrans-55.6-41.3174.7-77.5166.9000112.1A10 P19 D73 R81 H92 L94 Y117A10-L77 HydrophobicContact CB-CD1 3.87Å; P19-L77 HydrophobicContact CB-CD1 3.64Å; P19-L77 HydrophobicContact CG-CD1 3.82Å; D73-L77 WeakPolarHBondContact O-CB 3.39Å; D73-L77 VanDerWaalsContact O-CG 3.29Å; D73-L77 WeakPolarHBondContact O-CG 3.31Å; D73-L77 PolarHBondContact O-N 3.3Å; L77-R81 WeakPolarHBondContact O-CB 2.94Å; L77-R81 PolarHBondContact O-N 2.92Å; L77-R81 VanDerWaalsContact O-N 3.08Å; L77-H92 HydrophobicContact CD2-CB 4.25Å; L77-L94 HydrophobicContact CD2-CB 3.7Å; L77-L94 HydrophobicContact CG-CB 4.15Å; L77-Y117 HydrophobicContact CD2-CE2 4.04Å
78R96.2Very high97Very high125 Ų12570.6 Ų70.647%0.47235%0.348SS..Hα-helixtrans-67.8-40.3175.9-66.4177.3-173.5156.40.7112.4E18 V75 N76 G82E18-R78 IonicContact OE2-NH2 3.52Å; V75-R78 PolarHBondContact O-N 2.81Å; N76-R78 VanDerWaalsContact C-N 3.27Å; N76-R78 PolarHBondContact O-N 2.86Å; R78-G82 PolarHBondContact O-N 2.82Å
79K96.9Very high96.6Very high101 Ų10170.3 Ų70.344%0.43936%0.358SS..Hα-helixtrans-65.3-47.7177.5-73.1175.2179.4168.90111.4V75 N76 G82 Y83V75-K79 HydrophobicContact CG1-CD 4.27Å; V75-K79 PolarHBondContact O-N 3.4Å; V75-K79 VanDerWaalsContact O-N 3.09Å; N76-K79 PolarHBondContact O-N 2.86Å; N76-K79 VanDerWaalsContact O-N 3.07Å; K79-G82 CarbonylContact O-C 3.5Å; K79-G82 WeakPolarHBondContact O-CA 3.35Å; K79-G82 PolarHBondContact O-N 2.98Å; K79-G82 VanDerWaalsContact O-N 3.09Å; K79-Y83 WeakPolarHBondContact O-CD1 3.38Å; K79-Y83 PolarHBondContact O-N 2.87Å
80L97.8Very high96.4Very high6 Ų669.3 Ų69.33%0.03136%0.359CS..Hα-helixtrans-60.5-47.9-179.9-69.9168.9000110.6N76 G82 Y83 Y84 L94 Y117 Y122N76-L80 WeakPolarHBondContact O-CB 3.44Å; N76-L80 VanDerWaalsContact O-CG 3.27Å; N76-L80 WeakPolarHBondContact O-CG 3.41Å; N76-L80 PolarHBondContact O-N 2.82Å; L80-G82 PolarHBondContact O-N 2.84Å; L80-G82 VanDerWaalsContact O-N 3.16Å; L80-Y83 HydrophobicContact CD2-CD2 4.42Å; L80-Y83 PolarHBondContact O-N 3.31Å; L80-Y84 HydrophobicContact CD2-CE2 4.3Å; L80-Y84 WeakPolarHBondContact O-CD2 3.43Å; L80-Y84 PolarHBondContact O-N 2.81Å; L80-L94 HydrophobicContact CD1-CD1 3.85Å; L80-L94 HydrophobicContact CD1-CD2 4.2Å; L80-L94 HydrophobicContact CD1-CG 4.49Å; L80-Y117 HydrophobicContact CB-CD1 4.35Å; L80-Y117 HydrophobicContact CB-CD2 4.18Å; L80-Y117 HydrophobicContact CB-CE1 3.99Å; L80-Y117 HydrophobicContact CB-CE2 3.84Å; L80-Y117 HydrophobicContact CB-CG 4.42Å; L80-Y117 HydrophobicContact CD1-CD2 3.59Å; L80-Y117 HydrophobicContact CD1-CE2 3.95Å; L80-Y117 HydrophobicContact CD1-CG 4.02Å; L80-Y117 HydrophobicContact CG-CD2 4.44Å; L80-Y122 HydrophobicContact CD2-CD1 4.39Å; L80-Y122 HydrophobicContact CD2-CD2 4.22Å; L80-Y122 HydrophobicContact CD2-CE1 3.76Å; L80-Y122 HydrophobicContact CD2-CE2 3.52Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.29Å
81R96.6Very high96.3Very high62 Ų6271.8 Ų71.823%0.23437%0.374CS..Hα-helixtrans-51.2-42.3172.9-171.2-172.466.6-179.78.4112.4L77 N85 Q86 E88L77-R81 WeakPolarHBondContact O-CB 2.94Å; L77-R81 PolarHBondContact O-N 2.92Å; L77-R81 VanDerWaalsContact O-N 3.08Å; R81-N85 PolarHBondContact O-N 3.26Å; R81-N85 VanDerWaalsContact O-N 3.14Å; R81-Q86 HydrophobicContact CG-CB 3.76Å; R81-Q86 WeakPolarHBondContact CG-O 3.48Å; R81-Q86 PolarHBondContact O-N 2.79Å; R81-E88 IonicContact CZ-OE1 2.74Å; R81-E88 IonicContact NH1-OE1 3.21Å; R81-E88 IonicContact NH2-OE1 3.81Å; R81-E88 PolarHBondContact NH2-OE1 3.44Å
82G96.6Very high96.3Very high44 Ų4466.2 Ų66.245%0.45435%0.349SS..Hα-helixtrans-66.7-43.7175.200000113.6R78 K79 L80 Y84 N85R78-G82 PolarHBondContact O-N 2.82Å; K79-G82 CarbonylContact O-C 3.5Å; K79-G82 WeakPolarHBondContact O-CA 3.35Å; K79-G82 PolarHBondContact O-N 2.98Å; K79-G82 VanDerWaalsContact O-N 3.09Å; L80-G82 PolarHBondContact O-N 2.84Å; L80-G82 VanDerWaalsContact O-N 3.16Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.88Å; G82-N85 PolarHBondContact O-N 2.74Å; G82-N85 PolarHBondContact O-OD1 2.98Å
83Y97.8Very high96.4Very high56 Ų5666.1 Ų66.122%0.2234%0.344CS..Hα-helixtrans-62-35.1178-65.8-10000112.6K79 L80 I141 K145K79-Y83 WeakPolarHBondContact O-CD1 3.38Å; K79-Y83 PolarHBondContact O-N 2.87Å; L80-Y83 HydrophobicContact CD2-CD2 4.42Å; L80-Y83 PolarHBondContact O-N 3.31Å; Y83-I141 HydrophobicContact CD1-CD1 4.27Å; Y83-I141 HydrophobicContact CD2-CD1 4.48Å; Y83-I141 HydrophobicContact CE1-CD1 4.5Å; Y83-I141 HydrophobicContact CE1-CG2 4.16Å; Y83-I141 HydrophobicContact CE2-CB 4.17Å; Y83-I141 HydrophobicContact CE2-CG2 4.05Å; Y83-I141 HydrophobicContact CG-CD1 4.26Å; Y83-K145 PolarHBondContact OH-NZ 2.86Å
84Y97.7Very high96.4Very high65 Ų6566.1 Ų66.126%0.25534%0.344SS..THydrogen-bonded Turntrans-91.93.9178.4-67.5-72.4000114.1L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.3Å; L80-Y84 WeakPolarHBondContact O-CD2 3.43Å; L80-Y84 PolarHBondContact O-N 2.81Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.88Å; Y84-Q86 PolarHBondContact O-N 2.03Å; Y84-Y117 AromaticContact CD2-CD1 3.69Å; Y84-Y117 HydrophobicContact CD2-CD1 3.69Å; Y84-Y117 AromaticContact CD2-CE1 3.46Å; Y84-Y117 HydrophobicContact CD2-CE1 3.46Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.46Å; Y84-Y117 AromaticContact CE2-CD1 3.42Å; Y84-Y117 HydrophobicContact CE2-CD1 3.42Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.42Å; Y84-Y117 AromaticContact CE2-CE1 3.73Å; Y84-Y117 HydrophobicContact CE2-CE1 3.73Å; Y84-Y117 HydrophobicContact CE2-CG 4.43Å; Y84-Y117 HydrophobicContact CG-CE1 4.39Å; Y84-Y122 HydrophobicContact CE2-CD2 4.48Å; Y84-Y122 HydrophobicContact CE2-CE2 4.18Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.24Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.29Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.41Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.3Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.37Å; Y84-D136 PolarHBondContact OH-OD1 2.79Å; Y84-D136 PolarHBondContact OH-OD2 3.14Å; Y84-A138 HydrophobicContact CD1-CB 4.14Å; Y84-A138 HydrophobicContact CE1-CB 3.56Å; Y84-A138 HydrophobicContact CE2-CB 3.99Å; Y84-A138 VanDerWaalsContact CZ-CB 3.49Å
85N96.6Very high96.5Very high151 Ų15165.8 Ų65.881%0.80735%0.346SS*.THydrogen-bonded Turntrans52.140.1-177.7-56.2-58.5000113.5R81 G82R81-N85 PolarHBondContact O-N 3.26Å; R81-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-N 2.74Å; G82-N85 PolarHBondContact O-OD1 2.98Å
86Q96.8Very high96.5Very high62 Ų6264.3 Ų64.329%0.2933%0.333SS..  trans-88152.1-177.1-70165.8-3300112R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.76Å; R81-Q86 WeakPolarHBondContact CG-O 3.48Å; R81-Q86 PolarHBondContact O-N 2.79Å; Y84-Q86 PolarHBondContact O-N 2.03Å; Q86-H92 PolarHBondContact NE2-CE1 3.49Å; Q86-H92 PolarHBondContact OE1-CE1 3.25Å; Q86-Y117 PolarHBondContact OE1-OH 3.3Å; Q86-D118 PolarHBondContact NE2-OD2 3.46Å
87S93.8Very high96.6Very high77 Ų7762.6 Ų62.654%0.53832%0.324SS..  trans-68.2154.3179.758.10000113.1D89 G90S87-D89 VanDerWaalsContact C-N 3.3Å; S87-D89 PolarHBondContact O-N 3.34Å; S87-G90 PolarHBondContact O-N 3.08Å
88E90.7Very high96.6Very high129 Ų12962.7 Ų62.760%0.60333%0.325SS*.THydrogen-bonded Turntrans-70.6-24.5179.5-58-150.212500114.4P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.18Å; P14-E88 WeakPolarHBondContact CG-O 3.49Å; R81-E88 IonicContact CZ-OE1 2.74Å; R81-E88 IonicContact NH1-OE1 3.21Å; R81-E88 IonicContact NH2-OE1 3.81Å; R81-E88 PolarHBondContact NH2-OE1 3.44Å; E88-G90 PolarHBondContact O-N 2.79Å
89D90.8Very high96.7Very high146 Ų14656.7 Ų56.778%0.78130%0.302SS*.THydrogen-bonded Turntrans-79.4-8.9-176.9-57.6-39.1000113.1S87S87-D89 VanDerWaalsContact C-N 3.3Å; S87-D89 PolarHBondContact O-N 3.34Å
90G92.6Very high96.8Very high20 Ų2051.9 Ų51.921%0.20628%0.282CS..  trans-76.5131.3179.100000112.7P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.5Å; S87-G90 PolarHBondContact O-N 3.08Å; E88-G90 PolarHBondContact O-N 2.79Å; G90-H92 PolarHBondContact O-CD2 2.89Å
91S97.2Very high96.8Very high73 Ų7352.8 Ų52.851%0.5129%0.286SS..  trans-80.2132.9164.4-178.20000109.1S12S12-S91 WeakPolarHBondContact O-CB 3.42Å; S12-S91 PolarHBondContact O-OG 2.95Å
92H98.3Very high96.9Very high15 Ų1550 Ų507%0.06928%0.276CS..  trans-130.8150.4-176.2-64.6-74.4000110.4V11 S12 L77 Q86 G90 Y117 D118V11-H92 WeakPolarHBondContact CA-O 3.4Å; S12-H92 PolarHBondContact N-O 3.39Å; S12-H92 PolarHBondContact OG-N 3Å; S12-H92 PolarHBondContact OG-O 3.39Å; L77-H92 HydrophobicContact CD2-CB 4.25Å; Q86-H92 PolarHBondContact NE2-CE1 3.49Å; Q86-H92 PolarHBondContact OE1-CE1 3.25Å; G90-H92 PolarHBondContact O-CD2 2.89Å; H92-Y117 HydrophobicContact CB-CE2 3.8Å; H92-Y117 WeakPolarHBondContact CB-OH 3.3Å; H92-Y117 AromaticContact CG-CZ 3.98Å; H92-Y117 AromaticContact ND1-CZ 3.9Å; H92-Y117 PolarHBondContact ND1-OH 2.84Å; H92-D118 WeakPolarHBondContact CA-OD1 3.2Å; H92-D118 WeakPolarHBondContact CB-OD1 3.35Å; H92-D118 IonicContact CE1-OD2 2.76Å; H92-D118 IonicContact CG-OD1 3.52Å; H92-D118 IonicContact CG-OD2 2.7Å; H92-D118 IonicContact ND1-OD1 3.7Å; H92-D118 IonicContact ND1-OD2 3.41Å; H92-D118 PolarHBondContact ND1-OD2 3.2Å
93T98.6Very high96.8Very high37 Ų3748.3 Ų48.323%0.22726%0.259CS..EExtended strand (participates in β ladder)trans-121.8127.6-176.6-57.60000110.3T9 A10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 4.05Å; A10-T93 WeakPolarHBondContact O-CA 3.49Å; V11-T93 HydrophobicContact CG2-CG2 4.19Å; T93-Q95 HydrophobicContact CG2-CG 3.9Å; T93-Y117 CarbonylContact O-C 3.59Å; T93-Y117 WeakPolarHBondContact O-CA 3.35Å; T93-Y117 VanDerWaalsContact O-CD2 3.3Å; T93-Y117 WeakPolarHBondContact O-CD2 3.4Å; T93-D118 PolarHBondContact N-OD1 3.01Å; T93-D118 PolarHBondContact O-N 2.93Å
94L98.8Very high96.5Very high9 Ų951.6 Ų51.65%0.04729%0.287CS..EExtended strand (participates in β ladder)trans-112.6126.1170175.761.2000108T9 A10 D73 N76 L77 L80 A116T9-L94 WeakPolarHBondContact CA-O 3.31Å; A10-L94 HydrophobicContact CB-CB 4.45Å; A10-L94 PolarHBondContact N-O 2.94Å; A10-L94 PolarHBondContact O-N 2.93Å; D73-L94 HydrophobicContact CB-CD2 4.12Å; N76-L94 HydrophobicContact CB-CD2 3.72Å; L77-L94 HydrophobicContact CD2-CB 3.7Å; L77-L94 HydrophobicContact CG-CB 4.15Å; L80-L94 HydrophobicContact CD1-CD1 3.85Å; L80-L94 HydrophobicContact CD1-CD2 4.2Å; L80-L94 HydrophobicContact CD1-CG 4.49Å; L94-A116 WeakPolarHBondContact CD1-O 3.22Å
95Q98.8Very high96.2Very high79 Ų7953.4 Ų53.437%0.36930%0.301SS..EExtended strand (participates in β ladder)trans-121.4146.8178.7-68.1170.1-81.600109.7D8 T9 T93 S115 A116D8-Q95 CarbonylContact O-C 3.59Å; D8-Q95 VanDerWaalsContact O-CA 3.31Å; D8-Q95 WeakPolarHBondContact O-CA 3.43Å; T9-Q95 HydrophobicContact CG2-CG 4.04Å; T93-Q95 HydrophobicContact CG2-CG 3.9Å; Q95-S115 CarbonylContact O-C 3.59Å; Q95-S115 WeakPolarHBondContact O-CA 3.47Å; Q95-A116 HydrophobicContact CB-CB 4.39Å; Q95-A116 PolarHBondContact N-O 2.84Å; Q95-A116 PolarHBondContact O-N 3.41Å
96R98.5Very high96Very high32 Ų3247.1 Ų47.112%0.12127%0.272CS..EExtended strand (participates in β ladder)trans-138.2136.3174.9-171.4-171.8-168.8171.918.1110.3F7 D8 D113 Q114F7-R96 CarbonylContact C-O 3.56Å; F7-R96 WeakPolarHBondContact CA-O 3.38Å; D8-R96 HydrophobicContact CB-CB 4.18Å; D8-R96 PolarHBondContact N-O 2.89Å; D8-R96 PolarHBondContact O-N 2.87Å; R96-D113 IonicContact CZ-OD1 3.72Å; R96-D113 IonicContact CZ-OD2 3.23Å; R96-D113 IonicContact NE-OD1 3.5Å; R96-D113 PolarHBondContact NE-OD1 3.08Å; R96-D113 IonicContact NH2-OD1 3.66Å; R96-D113 PolarHBondContact NH2-OD1 3.23Å; R96-D113 IonicContact NH2-OD2 2.79Å; R96-D113 PolarHBondContact NH2-OD2 3.21Å; R96-Q114 CarbonylContact C-O 3.58Å; R96-Q114 VanDerWaalsContact CA-O 3.31Å; R96-Q114 WeakPolarHBondContact CA-O 3.37Å
97M98.6Very high95.9Very high19 Ų1952.3 Ų52.39%0.09429%0.289CS..EExtended strand (participates in β ladder)trans-118.1127.9166.7-172.6-79.1-70.200108.6Y6 F7 Y112 D113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.32Å; F7-M97 HydrophobicContact CD1-CB 4.02Å; F7-M97 HydrophobicContact CD1-CG 3.69Å; F7-M97 HydrophobicContact CE1-CB 4.11Å; F7-M97 HydrophobicContact CE1-CG 3.37Å; F7-M97 HydrophobicContact CZ-CG 3.99Å; M97-Y112 HydrophobicContact CE-CD1 3.87Å; M97-Y112 HydrophobicContact CE-CG 3.87Å; M97-Y112 HydrophobicContact SD-CG 4.39Å; M97-D113 WeakPolarHBondContact O-CA 3.45Å; M97-Q114 HydrophobicContact CB-CG 4.02Å; M97-Q114 VanDerWaalsContact CE-CD 3.45Å; M97-Q114 HydrophobicContact CE-CG 3.92Å; M97-Q114 PolarHBondContact N-O 3.18Å; M97-Q114 PolarHBondContact O-N 3.41Å
98S98.4Very high96.1Very high8 Ų851.2 Ų51.26%0.05628%0.277CS..EExtended strand (participates in β ladder)trans-137.7152.4174.664.20000110.9R5 Y6 Y112R5-S98 CarbonylContact C-O 3.51Å; R5-S98 WeakPolarHBondContact CA-O 3.3Å; Y6-S98 PolarHBondContact N-O 2.96Å; Y6-S98 PolarHBondContact O-N 2.98Å; S98-Y112 VanDerWaalsContact CA-O 3.25Å; S98-Y112 WeakPolarHBondContact CA-O 3.46Å
99G98.4Very high96.4Very high0 Ų050.9 Ų50.90%028%0.278CS..EExtended strand (participates in β ladder)trans159.6-176-18000000114.9M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.55Å; M4-G99 WeakPolarHBondContact O-CA 3.41Å; G99-G111 CarbonylContact O-C 3.55Å; G99-G111 WeakPolarHBondContact O-CA 3.42Å; G99-Y112 PolarHBondContact N-O 2.82Å; G99-Y112 PolarHBondContact O-N 3.27Å; G99-L159 WeakPolarHBondContact O-CD2 3.37Å
100C98.6Very high96.7Very high0 Ų048.4 Ų48.40%026%0.258CS..EExtended strand (participates in β ladder)trans-138147.5-177.354.10000111.4S3 M4 L108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.41Å; M4-C100 PolarHBondContact N-O 3.5Å; M4-C100 PolarHBondContact O-N 2.87Å; C100-L108 HydrophobicContact CB-CD1 3.59Å; C100-R110 CarbonylContact C-O 3.41Å; C100-R110 WeakPolarHBondContact CA-O 3.42Å; C100-C163 HydrophobicContact CB-CB 3.93Å; C100-C163 WeakPolarHBondContact CB-SG 3.44Å; C100-C163 PolarHBondContact N-SG 3.36Å; C100-C163 VanDerWaalsContact N-SG 3.37Å; C100-C163 WeakPolarHBondContact SG-CB 3.24Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.91Å
101D98.4Very high97Very high24 Ų2447.6 Ų47.613%0.12825%0.25CS..EExtended strand (participates in β ladder)trans-109.6137.7172.3-60.2-12.9000109.2H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.58Å; H2-D101 WeakPolarHBondContact O-CA 3.38Å; S3-D101 WeakPolarHBondContact CB-OD1 3.45Å; R5-D101 IonicContact CZ-OD1 2.66Å; R5-D101 IonicContact NE-OD1 3.9Å; R5-D101 PolarHBondContact NE-OD1 3.47Å; R5-D101 VanDerWaalsContact NH2-CG 3.31Å; R5-D101 IonicContact NH2-OD1 3.84Å; R5-D101 PolarHBondContact NH2-OD1 3.33Å; R5-D101 IonicContact NH2-OD2 2.79Å; R5-D101 PolarHBondContact NH2-OD2 2.93Å; D101-L109 HydrophobicContact CB-CB 4.39Å; D101-L109 PolarHBondContact O-N 2.8Å; D101-R110 HydrophobicContact CB-CB 4.43Å; D101-R110 PolarHBondContact N-O 3.18Å; D101-R110 PolarHBondContact O-N 3.46Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.45Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.31Å; D101-Y112 PolarHBondContact OD2-OH 2.81Å
102L97.9Very high97.1Very high4 Ų445.9 Ų45.92%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-107.1134.1172.9-56.1-177.5000110.8S1 H2 R107 V164 L167 R168S1-L102 VanDerWaalsContact CA-O 3.3Å; S1-L102 WeakPolarHBondContact CA-O 3.29Å; S1-L102 VanDerWaalsContact CB-O 3.28Å; S1-L102 WeakPolarHBondContact CB-O 3.49Å; H2-L102 PolarHBondContact N-O 3.27Å; H2-L102 VanDerWaalsContact N-O 3.12Å; H2-L102 PolarHBondContact O-N 3.36Å; L102-R107 VanDerWaalsContact CA-O 3.25Å; L102-R107 WeakPolarHBondContact CA-O 3.18Å; L102-V164 HydrophobicContact CD2-CB 4.19Å; L102-V164 HydrophobicContact CD2-CG1 3.78Å; L102-V164 HydrophobicContact CD2-CG2 3.84Å; L102-L167 HydrophobicContact CD1-CB 4.28Å; L102-L167 HydrophobicContact CD1-CD2 3.69Å; L102-L167 HydrophobicContact CD1-CG 3.73Å; L102-L167 HydrophobicContact CD2-CD2 4.5Å; L102-L167 HydrophobicContact CG-CD2 3.57Å; L102-L167 HydrophobicContact CG-CG 4.21Å; L102-R168 HydrophobicContact CD1-CG 3.96Å
103G95.3Very high97.1Very high9 Ų945.2 Ų45.29%0.09323%0.23CC..  trans-67.9174.4167.800000112.2D105 G106 R107G103-D105 PolarHBondContact O-N 2.81Å; G103-G106 WeakPolarHBondContact O-CA 3.37Å; G103-G106 PolarHBondContact O-N 2.85Å; G103-R107 PolarHBondContact N-O 2.93Å
104P91.6Very high97.1Very high124 Ų12447.4 Ų47.481%0.80524%0.237SC*.THydrogen-bonded Turntrans-59.7-25.2176.5-23.334.2000114G106P104-G106 PolarHBondContact O-N 2.63Å
105D92.1Very high97.1Very high103 Ų10347.8 Ų47.855%0.55124%0.241SC*.THydrogen-bonded Turntrans-80.62.4174.868.8-15.9000113.3G103 R107G103-D105 PolarHBondContact O-N 2.81Å; D105-R107 PolarHBondContact O-N 3.48Å; D105-R107 WeakPolarHBondContact OD1-CB 3.46Å; D105-R107 PolarHBondContact OD1-N 3.39Å; D105-R107 VanDerWaalsContact OD1-N 3.08Å; D105-R107 WeakPolarHBondContact OD2-CD 3.22Å; D105-R107 WeakPolarHBondContact OD2-CG 3.15Å; D105-R107 IonicContact OD2-NE 3.45Å
106G91.1Very high97.1Very high20 Ų2044.8 Ų44.821%0.20623%0.23CC..SBendtrans72.59.9-179.400000114.1G103 P104 R168G103-G106 WeakPolarHBondContact O-CA 3.37Å; G103-G106 PolarHBondContact O-N 2.85Å; P104-G106 PolarHBondContact O-N 2.63Å; G106-R168 VanDerWaalsContact O-CZ 3.31Å; G106-R168 PolarHBondContact O-NE 3.23Å; G106-R168 VanDerWaalsContact O-NE 3.09Å; G106-R168 PolarHBondContact O-NH2 2.97Å
107R95.4Very high97.1Very high171 Ų17143.8 Ų43.865%0.64523%0.226SC*.SBendtrans-89.3156.4177.2-62.3-173.4-177.9170.5-2.2111.2L102 G103 D105 L109L102-R107 VanDerWaalsContact CA-O 3.25Å; L102-R107 WeakPolarHBondContact CA-O 3.18Å; G103-R107 PolarHBondContact N-O 2.93Å; D105-R107 PolarHBondContact O-N 3.48Å; D105-R107 WeakPolarHBondContact OD1-CB 3.46Å; D105-R107 PolarHBondContact OD1-N 3.39Å; D105-R107 VanDerWaalsContact OD1-N 3.08Å; D105-R107 WeakPolarHBondContact OD2-CD 3.22Å; D105-R107 WeakPolarHBondContact OD2-CG 3.15Å; D105-R107 IonicContact OD2-NE 3.45Å; R107-L109 PolarHBondContact O-N 3.43Å; R107-L109 VanDerWaalsContact O-N 3.11Å
108L97.8Very high97Very high53 Ų5345.9 Ų45.928%0.27724%0.238SC..EExtended strand (participates in β ladder)trans-57.3118.4174.2-177.171.4000109.4C100 R110 L129 E160 V164C100-L108 HydrophobicContact CB-CD1 3.59Å; L108-R110 WeakPolarHBondContact CD1-O 3.47Å; L108-L129 HydrophobicContact CD2-CD1 4.12Å; L108-E160 HydrophobicContact CD2-CB 4.38Å; L108-E160 HydrophobicContact CD2-CG 3.65Å; L108-V164 HydrophobicContact CB-CG2 4.03Å; L108-V164 HydrophobicContact CD1-CG2 4.1Å
109L97.5Very high97Very high122 Ų12248.2 Ų48.264%0.63926%0.263SS*.EExtended strand (participates in β ladder)trans-91.4-44.8171.9-179.763.2000110.3D101 R107D101-L109 HydrophobicContact CB-CB 4.39Å; D101-L109 PolarHBondContact O-N 2.8Å; R107-L109 PolarHBondContact O-N 3.43Å; R107-L109 VanDerWaalsContact O-N 3.11Å
110R97.5Very high97Very high94 Ų9455.9 Ų55.936%0.35530%0.296SS..EExtended strand (participates in β ladder)trans-156143.8-177.8-173.2162171.2146.110.6111.5C100 D101 L108 Y112 E127C100-R110 CarbonylContact C-O 3.41Å; C100-R110 WeakPolarHBondContact CA-O 3.42Å; D101-R110 HydrophobicContact CB-CB 4.43Å; D101-R110 PolarHBondContact N-O 3.18Å; D101-R110 PolarHBondContact O-N 3.46Å; L108-R110 WeakPolarHBondContact CD1-O 3.47Å; R110-Y112 HydrophobicContact CB-CE2 4.08Å; R110-Y112 VanDerWaalsContact CD-CZ 3.47Å; R110-Y112 WeakPolarHBondContact CD-OH 3.13Å; R110-Y112 HydrophobicContact CG-CD2 4.46Å; R110-Y112 HydrophobicContact CG-CE1 4.02Å; R110-Y112 HydrophobicContact CG-CE2 3.76Å; R110-E127 VanDerWaalsContact CZ-CD 3.44Å; R110-E127 IonicContact CZ-OE1 3.35Å; R110-E127 IonicContact NH1-OE1 3.45Å; R110-E127 PolarHBondContact NH1-OE1 3.03Å; R110-E127 IonicContact NH1-OE2 2.72Å; R110-E127 VanDerWaalsContact NH2-CG 3.32Å; R110-E127 IonicContact NH2-OE1 2.75Å; R110-E127 PolarHBondContact NH2-OE1 2.87Å
111G98.3Very high97Very high4 Ų462.1 Ų62.14%0.04133%0.33CS..EExtended strand (participates in β ladder)trans-114.9153171.400000111.2G99G99-G111 CarbonylContact O-C 3.55Å; G99-G111 WeakPolarHBondContact O-CA 3.42Å
112Y98.4Very high97Very high36 Ų3661.4 Ų61.414%0.14133%0.325CS..EExtended strand (participates in β ladder)trans-134.8138-178-53.6-96.1000110.7R5 M97 S98 G99 D101 R110R5-Y112 VanDerWaalsContact NH2-CZ 3.28Å; R5-Y112 PolarHBondContact NH2-OH 3.44Å; M97-Y112 HydrophobicContact CE-CD1 3.87Å; M97-Y112 HydrophobicContact CE-CG 3.87Å; M97-Y112 HydrophobicContact SD-CG 4.39Å; S98-Y112 VanDerWaalsContact CA-O 3.25Å; S98-Y112 WeakPolarHBondContact CA-O 3.46Å; G99-Y112 PolarHBondContact N-O 2.82Å; G99-Y112 PolarHBondContact O-N 3.27Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.45Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.31Å; D101-Y112 PolarHBondContact OD2-OH 2.81Å; R110-Y112 HydrophobicContact CB-CE2 4.08Å; R110-Y112 VanDerWaalsContact CD-CZ 3.47Å; R110-Y112 WeakPolarHBondContact CD-OH 3.13Å; R110-Y112 HydrophobicContact CG-CD2 4.46Å; R110-Y112 HydrophobicContact CG-CE1 4.02Å; R110-Y112 HydrophobicContact CG-CE2 3.76Å
113D98.4Very high97.1Very high1 Ų161.4 Ų61.41%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-149.5107.1159.5179.135.1000108.1R96 M97 L125 W155R96-D113 IonicContact CZ-OD1 3.72Å; R96-D113 IonicContact CZ-OD2 3.23Å; R96-D113 IonicContact NE-OD1 3.5Å; R96-D113 PolarHBondContact NE-OD1 3.08Å; R96-D113 IonicContact NH2-OD1 3.66Å; R96-D113 PolarHBondContact NH2-OD1 3.23Å; R96-D113 IonicContact NH2-OD2 2.79Å; R96-D113 PolarHBondContact NH2-OD2 3.21Å; M97-D113 WeakPolarHBondContact O-CA 3.45Å; D113-L125 HydrophobicContact CB-CB 4.03Å; D113-L125 HydrophobicContact CB-CD2 4.24Å; D113-L125 WeakPolarHBondContact O-CB 3.3Å; D113-L125 PolarHBondContact O-N 3.2Å; D113-W155 HydrophobicContact CB-CD2 4.13Å; D113-W155 HydrophobicContact CB-CE3 4.08Å
114Q98.6Very high97.2Very high83 Ų8362.4 Ų62.439%0.38833%0.333SS..EExtended strand (participates in β ladder)trans-138.8140.6-177.264.1-168.146.100110.8R96 M97 I123 A124R96-Q114 CarbonylContact C-O 3.58Å; R96-Q114 VanDerWaalsContact CA-O 3.31Å; R96-Q114 WeakPolarHBondContact CA-O 3.37Å; M97-Q114 HydrophobicContact CB-CG 4.02Å; M97-Q114 VanDerWaalsContact CE-CD 3.45Å; M97-Q114 HydrophobicContact CE-CG 3.92Å; M97-Q114 PolarHBondContact N-O 3.18Å; M97-Q114 PolarHBondContact O-N 3.41Å; Q114-I123 WeakPolarHBondContact CA-O 3.43Å; Q114-A124 HydrophobicContact CB-CB 3.87Å
115S98.6Very high97.6Very high17 Ų1757.1 Ų57.112%0.11930%0.298CS..EExtended strand (participates in β ladder)trans-123.6145.5-179.5-580000111.1Q95 Y122 I123Q95-S115 CarbonylContact O-C 3.59Å; Q95-S115 WeakPolarHBondContact O-CA 3.47Å; S115-Y122 WeakPolarHBondContact O-CB 3.35Å; S115-Y122 PolarHBondContact O-N 3.15Å; S115-I123 PolarHBondContact N-O 3.18Å; S115-I123 PolarHBondContact O-N 2.82Å
116A98.8Very high97.9Very high17 Ų1754.3 Ų54.314%0.1428%0.282CS..EExtended strand (participates in β ladder)trans-126.4145.6174.900000110.4L94 Q95 K120L94-A116 WeakPolarHBondContact CD1-O 3.22Å; Q95-A116 HydrophobicContact CB-CB 4.39Å; Q95-A116 PolarHBondContact N-O 2.84Å; Q95-A116 PolarHBondContact O-N 3.41Å; A116-K120 CarbonylContact C-O 3.53Å; A116-K120 WeakPolarHBondContact CA-O 3.24Å; A116-K120 VanDerWaalsContact CB-O 3.24Å; A116-K120 WeakPolarHBondContact CB-O 3.07Å
117Y98.8Very high98.2Very high10 Ų1059.7 Ų59.74%0.03930%0.302CS..EExtended strand (participates in β ladder)trans-124.9127.9177.2-174.6-119.8000110.1L77 L80 Y84 Q86 H92 T93 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.04Å; L80-Y117 HydrophobicContact CB-CD1 4.35Å; L80-Y117 HydrophobicContact CB-CD2 4.18Å; L80-Y117 HydrophobicContact CB-CE1 3.99Å; L80-Y117 HydrophobicContact CB-CE2 3.84Å; L80-Y117 HydrophobicContact CB-CG 4.42Å; L80-Y117 HydrophobicContact CD1-CD2 3.59Å; L80-Y117 HydrophobicContact CD1-CE2 3.95Å; L80-Y117 HydrophobicContact CD1-CG 4.02Å; L80-Y117 HydrophobicContact CG-CD2 4.44Å; Y84-Y117 AromaticContact CD2-CD1 3.69Å; Y84-Y117 HydrophobicContact CD2-CD1 3.69Å; Y84-Y117 AromaticContact CD2-CE1 3.46Å; Y84-Y117 HydrophobicContact CD2-CE1 3.46Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.46Å; Y84-Y117 AromaticContact CE2-CD1 3.42Å; Y84-Y117 HydrophobicContact CE2-CD1 3.42Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.42Å; Y84-Y117 AromaticContact CE2-CE1 3.73Å; Y84-Y117 HydrophobicContact CE2-CE1 3.73Å; Y84-Y117 HydrophobicContact CE2-CG 4.43Å; Y84-Y117 HydrophobicContact CG-CE1 4.39Å; Q86-Y117 PolarHBondContact OE1-OH 3.3Å; H92-Y117 HydrophobicContact CB-CE2 3.8Å; H92-Y117 WeakPolarHBondContact CB-OH 3.3Å; H92-Y117 AromaticContact CG-CZ 3.98Å; H92-Y117 AromaticContact ND1-CZ 3.9Å; H92-Y117 PolarHBondContact ND1-OH 2.84Å; T93-Y117 CarbonylContact O-C 3.59Å; T93-Y117 WeakPolarHBondContact O-CA 3.35Å; T93-Y117 VanDerWaalsContact O-CD2 3.3Å; T93-Y117 WeakPolarHBondContact O-CD2 3.4Å; Y117-G119 PolarHBondContact O-N 3.28Å; Y117-K120 PolarHBondContact N-O 2.82Å; Y117-K120 PolarHBondContact O-N 2.91Å; Y117-K120 VanDerWaalsContact O-N 3.08Å
118D98.2Very high98.3Very high64 Ų6455.4 Ų55.434%0.34229%0.292SS..THydrogen-bonded Turntrans49.340.7-174.1-65.7-22.7000113.1Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 3.46Å; H92-D118 WeakPolarHBondContact CA-OD1 3.2Å; H92-D118 WeakPolarHBondContact CB-OD1 3.35Å; H92-D118 IonicContact CE1-OD2 2.76Å; H92-D118 IonicContact CG-OD1 3.52Å; H92-D118 IonicContact CG-OD2 2.7Å; H92-D118 IonicContact ND1-OD1 3.7Å; H92-D118 IonicContact ND1-OD2 3.41Å; H92-D118 PolarHBondContact ND1-OD2 3.2Å; T93-D118 PolarHBondContact N-OD1 3.01Å; T93-D118 PolarHBondContact O-N 2.93Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 2.63Å
119G97.4Very high98.3Very high57 Ų5753.3 Ų53.359%0.58828%0.281SS*.THydrogen-bonded Turntrans77.68.1177.600000115.3Y117Y117-G119 PolarHBondContact O-N 3.28Å
120K98.5Very high98.3Very high160 Ų16055.3 Ų55.370%0.69628%0.28SS*.EExtended strand (participates in β ladder)trans-116145.9176.8-62.5-179.1-177.8178.50110.9A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.53Å; A116-K120 WeakPolarHBondContact CA-O 3.24Å; A116-K120 VanDerWaalsContact CB-O 3.24Å; A116-K120 WeakPolarHBondContact CB-O 3.07Å; Y117-K120 PolarHBondContact N-O 2.82Å; Y117-K120 PolarHBondContact O-N 2.91Å; Y117-K120 VanDerWaalsContact O-N 3.08Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 2.63Å; K120-Y122 PolarHBondContact O-N 3.41Å
121D98.7Very high98.4Very high132 Ų13252.7 Ų52.771%0.70628%0.276SS*.EExtended strand (participates in β ladder)trans-52.5137174.5-67.6-22.5000110.8A135D121-A135 HydrophobicContact CB-CB 4.25Å; D121-A135 WeakPolarHBondContact O-CB 3.48Å
122Y98.8Very high98.4Very high8 Ų853 Ų533%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-115.7-63.6178.6-179.7-112.1000110.6L80 Y84 S115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.39Å; L80-Y122 HydrophobicContact CD2-CD2 4.22Å; L80-Y122 HydrophobicContact CD2-CE1 3.76Å; L80-Y122 HydrophobicContact CD2-CE2 3.52Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.29Å; Y84-Y122 HydrophobicContact CE2-CD2 4.48Å; Y84-Y122 HydrophobicContact CE2-CE2 4.18Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.24Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.29Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.41Å; S115-Y122 WeakPolarHBondContact O-CB 3.35Å; S115-Y122 PolarHBondContact O-N 3.15Å; K120-Y122 PolarHBondContact O-N 3.41Å; Y122-A135 WeakPolarHBondContact O-CB 3.28Å; Y122-A135 PolarHBondContact O-N 2.94Å; Y122-A138 HydrophobicContact CE2-CB 4.46Å; Y122-A138 PolarHBondContact OH-O 2.96Å; Y122-A139 HydrophobicContact CD2-CB 3.75Å; Y122-A139 VanDerWaalsContact CE2-CA 3.44Å; Y122-A139 HydrophobicContact CE2-CB 3.63Å; Y122-A139 HydrophobicContact CG-CB 4.27Å; Y122-A139 WeakPolarHBondContact O-CB 3.39Å; Y122-T142 HydrophobicContact CE1-CG2 4.25Å; Y122-T142 PolarHBondContact OH-OG1 2.74Å
123I98.8Very high98.4Very high4 Ų455 Ų552%0.02129%0.292CS..EExtended strand (participates in β ladder)trans-149.3141.4179.9-162.2170.8000110.3Q114 S115 W132 T133 T142 Q143 W146Q114-I123 WeakPolarHBondContact CA-O 3.43Å; S115-I123 PolarHBondContact N-O 3.18Å; S115-I123 PolarHBondContact O-N 2.82Å; I123-W132 HydrophobicContact CD1-CB 4.26Å; I123-W132 HydrophobicContact CD1-CD2 4.47Å; I123-W132 HydrophobicContact CD1-CE3 4.28Å; I123-W132 HydrophobicContact CD1-CG 4.48Å; I123-W132 HydrophobicContact CG1-CB 4.32Å; I123-W132 HydrophobicContact CG1-CE3 4.11Å; I123-T133 WeakPolarHBondContact CA-O 3.44Å; I123-T142 HydrophobicContact CD1-CG2 3.99Å; I123-Q143 HydrophobicContact CD1-CB 3.97Å; I123-W146 HydrophobicContact CD1-CE3 3.95Å; I123-W146 HydrophobicContact CD1-CZ3 4.21Å; I123-W146 HydrophobicContact CG2-CH2 4.06Å; I123-W146 HydrophobicContact CG2-CZ3 3.75Å
124A98.8Very high98.4Very high30 Ų3056 Ų5625%0.24830%0.301CS..EExtended strand (participates in β ladder)trans-135138.9178.500000111.5Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.87Å; A124-W132 CarbonylContact O-C 3.56Å; A124-W132 WeakPolarHBondContact O-CA 3.2Å; A124-T133 PolarHBondContact N-O 2.94Å; A124-T133 PolarHBondContact O-N 2.66Å
125L98.8Very high98.4Very high14 Ų1454.9 Ų54.97%0.07331%0.306CS..EExtended strand (participates in β ladder)trans-71.2128168.3-176.664.9000108.7D113 L129 W132 A152 W155 L159D113-L125 HydrophobicContact CB-CB 4.03Å; D113-L125 HydrophobicContact CB-CD2 4.24Å; D113-L125 WeakPolarHBondContact O-CB 3.3Å; D113-L125 PolarHBondContact O-N 3.2Å; L125-L129 HydrophobicContact CD2-CD2 3.82Å; L125-L129 HydrophobicContact CG-CD2 4.28Å; L125-W132 HydrophobicContact CB-CE3 3.96Å; L125-W132 HydrophobicContact CB-CH2 4.05Å; L125-W132 HydrophobicContact CB-CZ3 3.57Å; L125-W132 HydrophobicContact CD1-CD2 4.2Å; L125-W132 HydrophobicContact CD1-CE3 4.28Å; L125-W132 HydrophobicContact CD1-CH2 4.01Å; L125-W132 HydrophobicContact CD1-CZ2 3.94Å; L125-W132 HydrophobicContact CD1-CZ3 4.17Å; L125-W132 HydrophobicContact CG-CH2 4.49Å; L125-W132 HydrophobicContact CG-CZ3 4.43Å; L125-A152 HydrophobicContact CD1-CB 4.02Å; L125-W155 HydrophobicContact CD2-CB 3.93Å; L125-L159 HydrophobicContact CD2-CD1 3.86Å
126N98.6Very high98.4Very high43 Ų4356.7 Ų56.723%0.2331%0.314CS..  trans-73162.5-179.8-67.8-28000111.4D128 L129 S131 T133N126-D128 PolarHBondContact O-N 3.16Å; N126-D128 VanDerWaalsContact O-N 3.08Å; N126-L129 WeakPolarHBondContact O-CA 3.12Å; N126-L129 PolarHBondContact O-N 3.46Å; N126-S131 WeakPolarHBondContact CB-O 3.42Å; N126-S131 WeakPolarHBondContact CB-OG 3.24Å; N126-S131 PolarHBondContact N-O 3.04Å; N126-S131 PolarHBondContact ND2-OG 3.14Å; N126-T133 PolarHBondContact ND2-OG1 2.76Å; N126-T133 WeakPolarHBondContact OD1-CB 3.31Å; N126-T133 PolarHBondContact OD1-OG1 3.27Å
127E97.7Very high98.4Very high134 Ų13461.2 Ų61.263%0.62634%0.34SS*.THydrogen-bonded Turntrans-59.2-22.5-179.5-66.3179.6-162.800113.7R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.44Å; R110-E127 IonicContact CZ-OE1 3.35Å; R110-E127 IonicContact NH1-OE1 3.45Å; R110-E127 PolarHBondContact NH1-OE1 3.03Å; R110-E127 IonicContact NH1-OE2 2.72Å; R110-E127 VanDerWaalsContact NH2-CG 3.32Å; R110-E127 IonicContact NH2-OE1 2.75Å; R110-E127 PolarHBondContact NH2-OE1 2.87Å; E127-L129 PolarHBondContact O-N 2.86Å
128D97.6Very high98.3Very high80 Ų8061 Ų6143%0.42834%0.34SS..THydrogen-bonded Turntrans-70.9-9.2174.569.83.9000113.8N126 R130 S131N126-D128 PolarHBondContact O-N 3.16Å; N126-D128 VanDerWaalsContact O-N 3.08Å; D128-R130 WeakPolarHBondContact O-CG 3.39Å; D128-R130 PolarHBondContact O-N 2.64Å; D128-R130 PolarHBondContact OD1-N 3.42Å; D128-S131 VanDerWaalsContact CG-OG 3.23Å; D128-S131 PolarHBondContact OD1-N 2.69Å; D128-S131 PolarHBondContact OD1-OG 3.37Å; D128-S131 VanDerWaalsContact OD1-OG 3.11Å; D128-S131 WeakPolarHBondContact OD2-CB 3.46Å; D128-S131 PolarHBondContact OD2-OG 2.9Å
129L98.1Very high98.3Very high9 Ų958 Ų585%0.04732%0.324CS..SBendtrans53.629.1-174.9-52.5-178.6000113.5L108 L125 N126 E127 R156 L159 E160L108-L129 HydrophobicContact CD2-CD1 4.12Å; L125-L129 HydrophobicContact CD2-CD2 3.82Å; L125-L129 HydrophobicContact CG-CD2 4.28Å; N126-L129 WeakPolarHBondContact O-CA 3.12Å; N126-L129 PolarHBondContact O-N 3.46Å; E127-L129 PolarHBondContact O-N 2.86Å; L129-R156 HydrophobicContact CB-CB 4.1Å; L129-R156 HydrophobicContact CB-CG 3.92Å; L129-R156 HydrophobicContact CD1-CG 4.24Å; L129-L159 HydrophobicContact CD2-CD1 3.97Å; L129-E160 HydrophobicContact CD1-CG 4.31Å
130R97.8Very high98.4Very high165 Ų16558.8 Ų58.862%0.62331%0.313SS*.SBendtrans-135.3-30.9-174.2-70.3172.5-171.2-1436.4112.9D128 A152 R156D128-R130 WeakPolarHBondContact O-CG 3.39Å; D128-R130 PolarHBondContact O-N 2.64Å; D128-R130 PolarHBondContact OD1-N 3.42Å; R130-A152 WeakPolarHBondContact O-CB 3.29Å; R130-R156 VanDerWaalsContact NH2-NH1 3.12Å
131S98.1Very high98.4Very high39 Ų3954 Ų5427%0.27329%0.294SS..  trans-117.3163-177.363.10000111.8N126 D128N126-S131 WeakPolarHBondContact CB-O 3.42Å; N126-S131 WeakPolarHBondContact CB-OG 3.24Å; N126-S131 PolarHBondContact N-O 3.04Å; N126-S131 PolarHBondContact ND2-OG 3.14Å; D128-S131 VanDerWaalsContact CG-OG 3.23Å; D128-S131 PolarHBondContact OD1-N 2.69Å; D128-S131 PolarHBondContact OD1-OG 3.37Å; D128-S131 VanDerWaalsContact OD1-OG 3.11Å; D128-S131 WeakPolarHBondContact OD2-CB 3.46Å; D128-S131 PolarHBondContact OD2-OG 2.9Å
132W98.8Very high98.4Very high10 Ų1048.6 Ų48.64%0.03827%0.266CS..EExtended strand (participates in β ladder)trans-119.8145.3-178.1-60.392.3000110.6I123 A124 L125 Q143 W146 E151 A152I123-W132 HydrophobicContact CD1-CB 4.26Å; I123-W132 HydrophobicContact CD1-CD2 4.47Å; I123-W132 HydrophobicContact CD1-CE3 4.28Å; I123-W132 HydrophobicContact CD1-CG 4.48Å; I123-W132 HydrophobicContact CG1-CB 4.32Å; I123-W132 HydrophobicContact CG1-CE3 4.11Å; A124-W132 CarbonylContact O-C 3.56Å; A124-W132 WeakPolarHBondContact O-CA 3.2Å; L125-W132 HydrophobicContact CB-CE3 3.96Å; L125-W132 HydrophobicContact CB-CH2 4.05Å; L125-W132 HydrophobicContact CB-CZ3 3.57Å; L125-W132 HydrophobicContact CD1-CD2 4.2Å; L125-W132 HydrophobicContact CD1-CE3 4.28Å; L125-W132 HydrophobicContact CD1-CH2 4.01Å; L125-W132 HydrophobicContact CD1-CZ2 3.94Å; L125-W132 HydrophobicContact CD1-CZ3 4.17Å; L125-W132 HydrophobicContact CG-CH2 4.49Å; L125-W132 HydrophobicContact CG-CZ3 4.43Å; W132-Q143 HydrophobicContact CB-CG 4.14Å; W132-Q143 PolarHBondContact O-NE2 3.17Å; W132-W146 AromaticContact CD2-CE3 3.84Å; W132-W146 HydrophobicContact CD2-CE3 3.84Å; W132-W146 HydrophobicContact CD2-CZ3 4.38Å; W132-W146 AromaticContact CE2-CE3 3.73Å; W132-W146 AromaticContact CE3-CE3 3.72Å; W132-W146 HydrophobicContact CE3-CE3 3.72Å; W132-W146 AromaticContact CE3-CZ3 3.78Å; W132-W146 HydrophobicContact CE3-CZ3 3.78Å; W132-W146 AromaticContact CH2-CE3 3.42Å; W132-W146 HydrophobicContact CH2-CE3 3.42Å; W132-W146 VanDerWaalsContact CH2-CE3 3.42Å; W132-W146 HydrophobicContact CH2-CH2 4.49Å; W132-W146 AromaticContact CH2-CZ3 3.4Å; W132-W146 HydrophobicContact CH2-CZ3 3.4Å; W132-W146 HydrophobicContact CZ2-CD2 4.4Å; W132-W146 AromaticContact CZ2-CE3 3.52Å; W132-W146 HydrophobicContact CZ2-CE3 3.52Å; W132-W146 HydrophobicContact CZ2-CZ3 4.02Å; W132-W146 AromaticContact CZ3-CE3 3.53Å; W132-W146 HydrophobicContact CZ3-CE3 3.53Å; W132-W146 HydrophobicContact CZ3-CH2 4.47Å; W132-W146 AromaticContact CZ3-CZ3 3.26Å; W132-W146 HydrophobicContact CZ3-CZ3 3.26Å; W132-E151 HydrophobicContact CZ2-CB 4.19Å; W132-A152 HydrophobicContact CZ2-CB 4.24Å
133T98.7Very high98.4Very high78 Ų7850.2 Ų50.248%0.47927%0.274SS..EExtended strand (participates in β ladder)trans-106.4117.6166.2-66.50000108.9I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.44Å; A124-T133 PolarHBondContact N-O 2.94Å; A124-T133 PolarHBondContact O-N 2.66Å; N126-T133 PolarHBondContact ND2-OG1 2.76Å; N126-T133 WeakPolarHBondContact OD1-CB 3.31Å; N126-T133 PolarHBondContact OD1-OG1 3.27Å
134A98.7Very high98.4Very high23 Ų2357.5 Ų57.519%0.1930%0.301CS..EExtended strand (participates in β ladder)trans-95.1131.4174.200000110.2A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.71Å; A134-Q140 HydrophobicContact CB-CG 3.95Å; A134-Q143 HydrophobicContact CB-CB 4.38Å
135A98.6Very high98.3Very high59 Ų5961.5 Ų61.549%0.48831%0.313SS..SBendtrans-73.7-30.5-177.500000113.1D121 Y122D121-A135 HydrophobicContact CB-CB 4.25Å; D121-A135 WeakPolarHBondContact O-CB 3.48Å; Y122-A135 WeakPolarHBondContact O-CB 3.28Å; Y122-A135 PolarHBondContact O-N 2.94Å
136D98.4Very high98.3Very high55 Ų5563.5 Ų63.529%0.29432%0.319SS..SBendtrans-152-175.5-17968.825.3000113.7Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.3Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.37Å; Y84-D136 PolarHBondContact OH-OD1 2.79Å; Y84-D136 PolarHBondContact OH-OD2 3.14Å; D136-A138 VanDerWaalsContact C-N 3.3Å; D136-A138 PolarHBondContact O-N 2.99Å; D136-A138 WeakPolarHBondContact OD1-CA 3.35Å; D136-A138 WeakPolarHBondContact OD1-CB 3.34Å; D136-A138 PolarHBondContact OD1-N 3.36Å; D136-A139 PolarHBondContact O-N 3.48Å; D136-A139 PolarHBondContact OD1-N 3.25Å; D136-Q140 WeakPolarHBondContact O-CG 3.44Å; D136-Q140 PolarHBondContact O-N 3.18Å
137T98.2Very high98.3Very high111 Ų11166 Ų6668%0.68133%0.33SS*.Hα-helixtrans-64.8-28.4-178.959.60000114.2
138A98Very high98.3Very high6 Ų663.8 Ų63.85%0.0533%0.334CS..Hα-helixtrans-73.1-43.2175.200000109.9Y84 Y122 D136 Q140 I141Y84-A138 HydrophobicContact CD1-CB 4.14Å; Y84-A138 HydrophobicContact CE1-CB 3.56Å; Y84-A138 HydrophobicContact CE2-CB 3.99Å; Y84-A138 VanDerWaalsContact CZ-CB 3.49Å; Y122-A138 HydrophobicContact CE2-CB 4.46Å; Y122-A138 PolarHBondContact OH-O 2.96Å; D136-A138 VanDerWaalsContact C-N 3.3Å; D136-A138 PolarHBondContact O-N 2.99Å; D136-A138 WeakPolarHBondContact OD1-CA 3.35Å; D136-A138 WeakPolarHBondContact OD1-CB 3.34Å; D136-A138 PolarHBondContact OD1-N 3.36Å; A138-Q140 VanDerWaalsContact C-N 3.28Å; A138-Q140 PolarHBondContact O-N 3.35Å; A138-I141 VanDerWaalsContact O-CB 3.26Å; A138-I141 WeakPolarHBondContact O-CB 3.42Å; A138-I141 PolarHBondContact O-N 3.09Å
139A98.5Very high98.4Very high0 Ų062.4 Ų62.40%033%0.334CS..Hα-helixtrans-60.5-34.717400000113.2Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD2-CB 3.75Å; Y122-A139 VanDerWaalsContact CE2-CA 3.44Å; Y122-A139 HydrophobicContact CE2-CB 3.63Å; Y122-A139 HydrophobicContact CG-CB 4.27Å; Y122-A139 WeakPolarHBondContact O-CB 3.39Å; A134-A139 HydrophobicContact CB-CB 3.71Å; D136-A139 PolarHBondContact O-N 3.48Å; D136-A139 PolarHBondContact OD1-N 3.25Å; A139-I141 PolarHBondContact O-N 2.84Å; A139-T142 WeakPolarHBondContact O-CA 3.35Å; A139-T142 WeakPolarHBondContact O-CB 3.36Å; A139-T142 PolarHBondContact O-N 2.82Å; A139-Q143 PolarHBondContact O-N 3.42Å
140Q98.7Very high98.4Very high75 Ų7569.4 Ų69.435%0.3536%0.36SS..Hα-helixtrans-59.3-28.1173.7-73.1174.41200113A134 D136 A138 R144A134-Q140 HydrophobicContact CB-CG 3.95Å; D136-Q140 WeakPolarHBondContact O-CG 3.44Å; D136-Q140 PolarHBondContact O-N 3.18Å; A138-Q140 VanDerWaalsContact C-N 3.28Å; A138-Q140 PolarHBondContact O-N 3.35Å; Q140-R144 VanDerWaalsContact O-CG 3.32Å; Q140-R144 WeakPolarHBondContact O-CG 3.24Å; Q140-R144 PolarHBondContact O-N 3.16Å; Q140-R144 VanDerWaalsContact O-N 3.1Å
141I98.3Very high98.4Very high60 Ų6064 Ų6431%0.30834%0.342SS..Hα-helixtrans-66.7-43.5174-56.8171000110Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.27Å; Y83-I141 HydrophobicContact CD2-CD1 4.48Å; Y83-I141 HydrophobicContact CE1-CD1 4.5Å; Y83-I141 HydrophobicContact CE1-CG2 4.16Å; Y83-I141 HydrophobicContact CE2-CB 4.17Å; Y83-I141 HydrophobicContact CE2-CG2 4.05Å; Y83-I141 HydrophobicContact CG-CD1 4.26Å; A138-I141 VanDerWaalsContact O-CB 3.26Å; A138-I141 WeakPolarHBondContact O-CB 3.42Å; A138-I141 PolarHBondContact O-N 3.09Å; A139-I141 PolarHBondContact O-N 2.84Å; I141-K145 WeakPolarHBondContact O-CG 3.37Å; I141-K145 PolarHBondContact O-N 3.08Å
142T98.3Very high98.4Very high18 Ų1862.5 Ų62.511%0.1133%0.332CS..Hα-helixtrans-65.6-46174.7-69.70000111Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.25Å; Y122-T142 PolarHBondContact OH-OG1 2.74Å; I123-T142 HydrophobicContact CD1-CG2 3.99Å; A139-T142 WeakPolarHBondContact O-CA 3.35Å; A139-T142 WeakPolarHBondContact O-CB 3.36Å; A139-T142 PolarHBondContact O-N 2.82Å; T142-R144 PolarHBondContact O-N 2.85Å; T142-K145 WeakPolarHBondContact O-CB 2.9Å; T142-K145 PolarHBondContact O-N 2.85Å; T142-W146 HydrophobicContact CG2-CD2 3.69Å; T142-W146 HydrophobicContact CG2-CE3 4.19Å; T142-W146 HydrophobicContact CG2-CG 4.05Å; T142-W146 HydrophobicContact CG2-CH2 4.43Å; T142-W146 HydrophobicContact CG2-CZ2 3.95Å; T142-W146 PolarHBondContact O-N 2.81Å
143Q98.7Very high98.3Very high41 Ų4167.4 Ų67.419%0.19236%0.355CS..Hα-helixtrans-51.3-53.5177.8175.2174.611.900111.8I123 W132 A134 A139 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.97Å; W132-Q143 HydrophobicContact CB-CG 4.14Å; W132-Q143 PolarHBondContact O-NE2 3.17Å; A134-Q143 HydrophobicContact CB-CB 4.38Å; A139-Q143 PolarHBondContact O-N 3.42Å; Q143-K145 VanDerWaalsContact C-N 3.26Å; Q143-K145 PolarHBondContact O-N 2.92Å; Q143-W146 PolarHBondContact O-N 2.91Å; Q143-W146 VanDerWaalsContact O-N 3.12Å; Q143-E147 HydrophobicContact CG-CG 4.29Å; Q143-E147 VanDerWaalsContact CG-OE1 3.24Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.43Å; Q143-E147 PolarHBondContact NE2-OE1 2.82Å; Q143-E147 WeakPolarHBondContact O-CB 3.44Å; Q143-E147 WeakPolarHBondContact O-CG 3.35Å; Q143-E147 PolarHBondContact O-N 2.7Å
144R98.7Very high98.3Very high158 Ų15869.5 Ų69.560%0.59636%0.36SS*.Hα-helixtrans-59.5-36.7179.9-68.1171-165.2153.88.7112.6Q140 T142 A148Q140-R144 VanDerWaalsContact O-CG 3.32Å; Q140-R144 WeakPolarHBondContact O-CG 3.24Å; Q140-R144 PolarHBondContact O-N 3.16Å; Q140-R144 VanDerWaalsContact O-N 3.1Å; T142-R144 PolarHBondContact O-N 2.85Å; R144-A148 VanDerWaalsContact O-CB 3.31Å; R144-A148 WeakPolarHBondContact O-CB 3.49Å; R144-A148 PolarHBondContact O-N 2.87Å
145K98.1Very high98.2Very high113 Ų11370.6 Ų70.649%0.49136%0.359SS..Hα-helixtrans-67.9-43.9176.8-72.3175.9179.5-178.10111.3Y83 I141 T142 Q143 A148 A149Y83-K145 PolarHBondContact OH-NZ 2.86Å; I141-K145 WeakPolarHBondContact O-CG 3.37Å; I141-K145 PolarHBondContact O-N 3.08Å; T142-K145 WeakPolarHBondContact O-CB 2.9Å; T142-K145 PolarHBondContact O-N 2.85Å; Q143-K145 VanDerWaalsContact C-N 3.26Å; Q143-K145 PolarHBondContact O-N 2.92Å; K145-A148 PolarHBondContact O-N 2.86Å; K145-A149 WeakPolarHBondContact O-CB 3.36Å; K145-A149 PolarHBondContact O-N 2.61Å
146W98.3Very high98.2Very high57 Ų5771.4 Ų71.422%0.21635%0.349CS..Hα-helixtrans-69.8-37.1-179.9-75.25.4000112.5I123 W132 T142 Q143 A149 R150 E151I123-W146 HydrophobicContact CD1-CE3 3.95Å; I123-W146 HydrophobicContact CD1-CZ3 4.21Å; I123-W146 HydrophobicContact CG2-CH2 4.06Å; I123-W146 HydrophobicContact CG2-CZ3 3.75Å; W132-W146 AromaticContact CD2-CE3 3.84Å; W132-W146 HydrophobicContact CD2-CE3 3.84Å; W132-W146 HydrophobicContact CD2-CZ3 4.38Å; W132-W146 AromaticContact CE2-CE3 3.73Å; W132-W146 AromaticContact CE3-CE3 3.72Å; W132-W146 HydrophobicContact CE3-CE3 3.72Å; W132-W146 AromaticContact CE3-CZ3 3.78Å; W132-W146 HydrophobicContact CE3-CZ3 3.78Å; W132-W146 AromaticContact CH2-CE3 3.42Å; W132-W146 HydrophobicContact CH2-CE3 3.42Å; W132-W146 VanDerWaalsContact CH2-CE3 3.42Å; W132-W146 HydrophobicContact CH2-CH2 4.49Å; W132-W146 AromaticContact CH2-CZ3 3.4Å; W132-W146 HydrophobicContact CH2-CZ3 3.4Å; W132-W146 HydrophobicContact CZ2-CD2 4.4Å; W132-W146 AromaticContact CZ2-CE3 3.52Å; W132-W146 HydrophobicContact CZ2-CE3 3.52Å; W132-W146 HydrophobicContact CZ2-CZ3 4.02Å; W132-W146 AromaticContact CZ3-CE3 3.53Å; W132-W146 HydrophobicContact CZ3-CE3 3.53Å; W132-W146 HydrophobicContact CZ3-CH2 4.47Å; W132-W146 AromaticContact CZ3-CZ3 3.26Å; W132-W146 HydrophobicContact CZ3-CZ3 3.26Å; T142-W146 HydrophobicContact CG2-CD2 3.69Å; T142-W146 HydrophobicContact CG2-CE3 4.19Å; T142-W146 HydrophobicContact CG2-CG 4.05Å; T142-W146 HydrophobicContact CG2-CH2 4.43Å; T142-W146 HydrophobicContact CG2-CZ2 3.95Å; T142-W146 PolarHBondContact O-N 2.81Å; Q143-W146 PolarHBondContact O-N 2.91Å; Q143-W146 VanDerWaalsContact O-N 3.12Å; W146-A149 CarbonylContact O-C 3.51Å; W146-A149 PolarHBondContact O-N 2.6Å; W146-R150 WeakPolarHBondContact O-CA 3.3Å; W146-R150 PolarHBondContact O-N 3.35Å; W146-E151 HydrophobicContact CB-CB 3.96Å; W146-E151 HydrophobicContact CB-CG 3.87Å; W146-E151 HydrophobicContact CD2-CG 4.46Å; W146-E151 HydrophobicContact CG-CB 4.13Å; W146-E151 HydrophobicContact CG-CG 3.8Å; W146-E151 PolarHBondContact O-N 2.87Å
147E98.5Very high98.2Very high95 Ų9571.8 Ų71.844%0.44436%0.36SS..Hα-helixtrans-63.7-46.7171.8-72.8169.6173.100111.2Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.29Å; Q143-E147 VanDerWaalsContact CG-OE1 3.24Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.43Å; Q143-E147 PolarHBondContact NE2-OE1 2.82Å; Q143-E147 WeakPolarHBondContact O-CB 3.44Å; Q143-E147 WeakPolarHBondContact O-CG 3.35Å; Q143-E147 PolarHBondContact O-N 2.7Å; E147-A149 VanDerWaalsContact C-N 3.27Å; E147-A149 PolarHBondContact O-N 3.23Å; E147-R150 PolarHBondContact O-N 2.88Å; E147-R150 VanDerWaalsContact O-N 3.1Å
148A98.4Very high98.2Very high88 Ų8869.4 Ų69.473%0.72734%0.339SS*.Hα-helixtrans-62.2-34.9176.700000112.7R144 K145R144-A148 VanDerWaalsContact O-CB 3.31Å; R144-A148 WeakPolarHBondContact O-CB 3.49Å; R144-A148 PolarHBondContact O-N 2.87Å; K145-A148 PolarHBondContact O-N 2.86Å
149A98.1Very high98.2Very high51 Ų5169.1 Ų69.142%0.42134%0.337SS..THydrogen-bonded Turntrans-87.1-2.117700000114K145 W146 E147 E151K145-A149 WeakPolarHBondContact O-CB 3.36Å; K145-A149 PolarHBondContact O-N 2.61Å; W146-A149 CarbonylContact O-C 3.51Å; W146-A149 PolarHBondContact O-N 2.6Å; E147-A149 VanDerWaalsContact C-N 3.27Å; E147-A149 PolarHBondContact O-N 3.23Å; A149-E151 VanDerWaalsContact C-N 3.26Å; A149-E151 HydrophobicContact CB-CG 4.06Å; A149-E151 PolarHBondContact O-N 2.88Å
150R97.9Very high98.2Very high156 Ų15673.4 Ų73.459%0.58936%0.357SS*.THydrogen-bonded Turntrans53.738.8-176.8-57.5178.3172.5-149.14.8113.7W146 E147 A152 E153W146-R150 WeakPolarHBondContact O-CA 3.3Å; W146-R150 PolarHBondContact O-N 3.35Å; E147-R150 PolarHBondContact O-N 2.88Å; E147-R150 VanDerWaalsContact O-N 3.1Å; R150-A152 PolarHBondContact O-N 2.84Å; R150-E153 HydrophobicContact CB-CG 4.22Å; R150-E153 WeakPolarHBondContact CD-OE1 3.47Å; R150-E153 IonicContact CZ-OE1 3.56Å; R150-E153 IonicContact NH1-OE1 3.64Å; R150-E153 PolarHBondContact NH1-OE1 3.39Å; R150-E153 IonicContact NH1-OE2 2.69Å; R150-E153 WeakPolarHBondContact O-CB 3.34Å; R150-E153 PolarHBondContact O-N 2.89Å
151E97.9Very high98.2Very high51 Ų5170.9 Ų70.924%0.23835%0.351CS..Hα-helixtrans-59-32.3-178.3-67.2-72.2-179.500112.5W132 W146 A149 E153 Q154 W155W132-E151 HydrophobicContact CZ2-CB 4.19Å; W146-E151 HydrophobicContact CB-CB 3.96Å; W146-E151 HydrophobicContact CB-CG 3.87Å; W146-E151 HydrophobicContact CD2-CG 4.46Å; W146-E151 HydrophobicContact CG-CB 4.13Å; W146-E151 HydrophobicContact CG-CG 3.8Å; W146-E151 PolarHBondContact O-N 2.87Å; A149-E151 VanDerWaalsContact C-N 3.26Å; A149-E151 HydrophobicContact CB-CG 4.06Å; A149-E151 PolarHBondContact O-N 2.88Å; E151-E153 VanDerWaalsContact C-N 3.25Å; E151-E153 PolarHBondContact O-N 3.01Å; E151-Q154 PolarHBondContact O-N 2.96Å; E151-Q154 VanDerWaalsContact O-N 3.14Å; E151-W155 PolarHBondContact O-N 3.04Å
152A98.3Very high98.1Very high8 Ų870.5 Ų70.57%0.06635%0.351CS..Hα-helixtrans-60.3-34176.900000112.5L125 R130 W132 R150 Q154 W155 R156L125-A152 HydrophobicContact CD1-CB 4.02Å; R130-A152 WeakPolarHBondContact O-CB 3.29Å; W132-A152 HydrophobicContact CZ2-CB 4.24Å; R150-A152 PolarHBondContact O-N 2.84Å; A152-Q154 VanDerWaalsContact C-N 3.34Å; A152-Q154 PolarHBondContact O-N 3.27Å; A152-W155 PolarHBondContact O-N 2.94Å; A152-R156 WeakPolarHBondContact O-CB 3.14Å; A152-R156 PolarHBondContact O-N 2.82Å
153E98.1Very high98.1Very high113 Ų11369.6 Ų69.653%0.52835%0.346SS..Hα-helixtrans-65.9-38.3177.3-63.6177.9-173.700111.3R150 E151 A157R150-E153 HydrophobicContact CB-CG 4.22Å; R150-E153 WeakPolarHBondContact CD-OE1 3.47Å; R150-E153 IonicContact CZ-OE1 3.56Å; R150-E153 IonicContact NH1-OE1 3.64Å; R150-E153 PolarHBondContact NH1-OE1 3.39Å; R150-E153 IonicContact NH1-OE2 2.69Å; R150-E153 WeakPolarHBondContact O-CB 3.34Å; R150-E153 PolarHBondContact O-N 2.89Å; E151-E153 VanDerWaalsContact C-N 3.25Å; E151-E153 PolarHBondContact O-N 3.01Å; E153-A157 WeakPolarHBondContact O-CB 3.37Å; E153-A157 PolarHBondContact O-N 2.88Å
154Q97.1Very high98.1Very high122 Ų12268 Ų6857%0.5734%0.339SS*.Hα-helixtrans-68.3-45.5177-59.8-176.63100111.4E151 A152 A157 Y158E151-Q154 PolarHBondContact O-N 2.96Å; E151-Q154 VanDerWaalsContact O-N 3.14Å; A152-Q154 VanDerWaalsContact C-N 3.34Å; A152-Q154 PolarHBondContact O-N 3.27Å; Q154-A157 PolarHBondContact O-N 3.44Å; Q154-Y158 PolarHBondContact O-N 3.15Å
155W97.9Very high98.1Very high45 Ų4566.4 Ų66.417%0.1734%0.338CS..Hα-helixtrans-62.6-43.9176.4-83.4100.8000112D113 L125 E151 A152 A157 Y158 L159D113-W155 HydrophobicContact CB-CD2 4.13Å; D113-W155 HydrophobicContact CB-CE3 4.08Å; L125-W155 HydrophobicContact CD2-CB 3.93Å; E151-W155 PolarHBondContact O-N 3.04Å; A152-W155 PolarHBondContact O-N 2.94Å; W155-A157 VanDerWaalsContact C-N 3.34Å; W155-A157 PolarHBondContact O-N 3Å; W155-Y158 AromaticContact CE3-CD1 3.94Å; W155-Y158 HydrophobicContact CE3-CD1 3.94Å; W155-Y158 AromaticContact CZ3-CD1 3.7Å; W155-Y158 HydrophobicContact CZ3-CD1 3.7Å; W155-Y158 AromaticContact CZ3-CE1 3.97Å; W155-Y158 HydrophobicContact CZ3-CE1 3.97Å; W155-Y158 PolarHBondContact O-N 3.29Å; W155-L159 HydrophobicContact CB-CD1 4.47Å; W155-L159 HydrophobicContact CE3-CG 4.45Å; W155-L159 VanDerWaalsContact O-CB 3.3Å; W155-L159 WeakPolarHBondContact O-CB 3.35Å; W155-L159 WeakPolarHBondContact O-CG 3.22Å; W155-L159 PolarHBondContact O-N 3.23Å
156R98.3Very high98.1Very high76 Ų7663.1 Ų63.129%0.28732%0.323SS..Hα-helixtrans-58.6-45.7175.3-174.5172.7-179.5-142.2-14112L129 R130 A152 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.1Å; L129-R156 HydrophobicContact CB-CG 3.92Å; L129-R156 HydrophobicContact CD1-CG 4.24Å; R130-R156 VanDerWaalsContact NH2-NH1 3.12Å; A152-R156 WeakPolarHBondContact O-CB 3.14Å; A152-R156 PolarHBondContact O-N 2.82Å; R156-Y158 VanDerWaalsContact C-N 3.34Å; R156-Y158 PolarHBondContact O-N 3Å; R156-L159 PolarHBondContact O-N 3.24Å; R156-E160 HydrophobicContact CG-CG 4.12Å; R156-E160 IonicContact CZ-OE1 3.6Å; R156-E160 VanDerWaalsContact CZ-OE1 3.31Å; R156-E160 IonicContact CZ-OE2 4Å; R156-E160 IonicContact NE-OE1 3.28Å; R156-E160 PolarHBondContact NE-OE1 3.26Å; R156-E160 IonicContact NE-OE2 3.96Å; R156-E160 PolarHBondContact NE-OE2 3.38Å; R156-E160 IonicContact NH2-OE1 3.85Å; R156-E160 PolarHBondContact NH2-OE1 3.25Å; R156-E160 IonicContact NH2-OE2 2.77Å; R156-E160 VanDerWaalsContact O-CB 3.32Å; R156-E160 WeakPolarHBondContact O-CB 3.28Å; R156-E160 WeakPolarHBondContact O-CG 3.4Å; R156-E160 PolarHBondContact O-N 3.44Å
157A98.4Very high98.1Very high64 Ų6460.4 Ų60.453%0.52931%0.313SS..Hα-helixtrans-61.4-40.9177.300000112.5E153 Q154 W155 G161E153-A157 WeakPolarHBondContact O-CB 3.37Å; E153-A157 PolarHBondContact O-N 2.88Å; Q154-A157 PolarHBondContact O-N 3.44Å; W155-A157 VanDerWaalsContact C-N 3.34Å; W155-A157 PolarHBondContact O-N 3Å; A157-G161 PolarHBondContact O-N 2.89Å; A157-G161 VanDerWaalsContact O-N 3.1Å
158Y97.9Very high98Very high60 Ų6061.7 Ų61.724%0.23531%0.313CS..Iπ-helixtrans-65-47.6174.3168.5-101.9000112.1Q154 W155 R156 G161 T162 C163Q154-Y158 PolarHBondContact O-N 3.15Å; W155-Y158 AromaticContact CE3-CD1 3.94Å; W155-Y158 HydrophobicContact CE3-CD1 3.94Å; W155-Y158 AromaticContact CZ3-CD1 3.7Å; W155-Y158 HydrophobicContact CZ3-CD1 3.7Å; W155-Y158 AromaticContact CZ3-CE1 3.97Å; W155-Y158 HydrophobicContact CZ3-CE1 3.97Å; W155-Y158 PolarHBondContact O-N 3.29Å; R156-Y158 VanDerWaalsContact C-N 3.34Å; R156-Y158 PolarHBondContact O-N 3Å; Y158-G161 CarbonylContact O-C 3.59Å; Y158-G161 PolarHBondContact O-N 2.83Å; Y158-T162 HydrophobicContact CD2-CG2 4.03Å; Y158-T162 HydrophobicContact CE2-CG2 3.93Å; Y158-T162 PolarHBondContact O-N 2.78Å; Y158-T162 VanDerWaalsContact O-N 3.11Å; Y158-C163 HydrophobicContact CD1-CB 4.43Å; Y158-C163 HydrophobicContact CE1-CB 3.99Å; Y158-C163 WeakPolarHBondContact O-CB 3.49Å; Y158-C163 PolarHBondContact O-N 2.86Å
159L98.5Very high98Very high0 Ų063.3 Ų63.30%030%0.301CS..Iπ-helixtrans-70.3-39-174.7-69.8170.3000112.6G99 L125 L129 W155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.37Å; L125-L159 HydrophobicContact CD2-CD1 3.86Å; L129-L159 HydrophobicContact CD2-CD1 3.97Å; W155-L159 HydrophobicContact CB-CD1 4.47Å; W155-L159 HydrophobicContact CE3-CG 4.45Å; W155-L159 VanDerWaalsContact O-CB 3.3Å; W155-L159 WeakPolarHBondContact O-CB 3.35Å; W155-L159 WeakPolarHBondContact O-CG 3.22Å; W155-L159 PolarHBondContact O-N 3.23Å; R156-L159 PolarHBondContact O-N 3.24Å; L159-V164 WeakPolarHBondContact O-CG2 3.49Å
160E98Very high98Very high90 Ų9060.9 Ų60.942%0.42128%0.281SS..Iπ-helixtrans-79.2-24.7177-69.2-179.8168.800112.9L108 L129 R156L108-E160 HydrophobicContact CD2-CB 4.38Å; L108-E160 HydrophobicContact CD2-CG 3.65Å; L129-E160 HydrophobicContact CD1-CG 4.31Å; R156-E160 HydrophobicContact CG-CG 4.12Å; R156-E160 IonicContact CZ-OE1 3.6Å; R156-E160 VanDerWaalsContact CZ-OE1 3.31Å; R156-E160 IonicContact CZ-OE2 4Å; R156-E160 IonicContact NE-OE1 3.28Å; R156-E160 PolarHBondContact NE-OE1 3.26Å; R156-E160 IonicContact NE-OE2 3.96Å; R156-E160 PolarHBondContact NE-OE2 3.38Å; R156-E160 IonicContact NH2-OE1 3.85Å; R156-E160 PolarHBondContact NH2-OE1 3.25Å; R156-E160 IonicContact NH2-OE2 2.77Å; R156-E160 VanDerWaalsContact O-CB 3.32Å; R156-E160 WeakPolarHBondContact O-CB 3.28Å; R156-E160 WeakPolarHBondContact O-CG 3.4Å; R156-E160 PolarHBondContact O-N 3.44Å
161G97.9Very high97.9Very high23 Ų2354.1 Ų54.124%0.23726%0.256CS..Iπ-helixtrans-109.1-91.7-177.700000112.8A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 2.89Å; A157-G161 VanDerWaalsContact O-N 3.1Å; Y158-G161 CarbonylContact O-C 3.59Å; Y158-G161 PolarHBondContact O-N 2.83Å; G161-C163 VanDerWaalsContact C-N 3.32Å; G161-C163 PolarHBondContact O-N 2.98Å; G161-V164 PolarHBondContact O-N 2.81Å; G161-V164 VanDerWaalsContact O-N 3.1Å; G161-E165 WeakPolarHBondContact O-CG 3.45Å; G161-E165 PolarHBondContact O-N 3.26Å
162T97.6Very high97.9Very high51 Ų5157.7 Ų57.731%0.31327%0.273SS..Iπ-helixtrans-54.1-43.2-170.1-57.10000113.1Y158 V164 E165 W166Y158-T162 HydrophobicContact CD2-CG2 4.03Å; Y158-T162 HydrophobicContact CE2-CG2 3.93Å; Y158-T162 PolarHBondContact O-N 2.78Å; Y158-T162 VanDerWaalsContact O-N 3.11Å; T162-V164 PolarHBondContact O-N 3Å; T162-E165 PolarHBondContact O-N 3.27Å; T162-W166 VanDerWaalsContact CG2-CD1 3.46Å; T162-W166 PolarHBondContact O-N 2.9Å
163C98.4Very high97.8Very high0 Ų059.7 Ų59.70%028%0.282CS..Hα-helixtrans-60.2-48.3179.4-171.20000111.6M4 C100 Y158 G161 E165 W166 L167M4-C163 HydrophobicContact CE-CB 4.19Å; M4-C163 VanDerWaalsContact CE-O 3.22Å; M4-C163 WeakPolarHBondContact CE-O 3.49Å; M4-C163 WeakPolarHBondContact CE-SG 3.39Å; C100-C163 HydrophobicContact CB-CB 3.93Å; C100-C163 WeakPolarHBondContact CB-SG 3.44Å; C100-C163 PolarHBondContact N-SG 3.36Å; C100-C163 VanDerWaalsContact N-SG 3.37Å; C100-C163 WeakPolarHBondContact SG-CB 3.24Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.91Å; Y158-C163 HydrophobicContact CD1-CB 4.43Å; Y158-C163 HydrophobicContact CE1-CB 3.99Å; Y158-C163 WeakPolarHBondContact O-CB 3.49Å; Y158-C163 PolarHBondContact O-N 2.86Å; G161-C163 VanDerWaalsContact C-N 3.32Å; G161-C163 PolarHBondContact O-N 2.98Å; C163-E165 PolarHBondContact O-N 2.86Å; C163-W166 PolarHBondContact O-N 3.03Å; C163-L167 WeakPolarHBondContact O-CB 3.39Å; C163-L167 PolarHBondContact O-N 3.35Å
164V98.4Very high97.7Very high7 Ų754.4 Ų54.44%0.04226%0.258CS..Hα-helixtrans-61.9-44.8178.3175.30000111.2L102 L108 L159 G161 T162 L167 R168L102-V164 HydrophobicContact CD2-CB 4.19Å; L102-V164 HydrophobicContact CD2-CG1 3.78Å; L102-V164 HydrophobicContact CD2-CG2 3.84Å; L108-V164 HydrophobicContact CB-CG2 4.03Å; L108-V164 HydrophobicContact CD1-CG2 4.1Å; L159-V164 WeakPolarHBondContact O-CG2 3.49Å; G161-V164 PolarHBondContact O-N 2.81Å; G161-V164 VanDerWaalsContact O-N 3.1Å; T162-V164 PolarHBondContact O-N 3Å; V164-L167 PolarHBondContact O-N 2.73Å; V164-R168 WeakPolarHBondContact O-CG 2.97Å; V164-R168 PolarHBondContact O-N 2.85Å
165E98Very high97.6Very high124 Ų12453.8 Ų53.858%0.57925%0.254SS*.Hα-helixtrans-61.1-47179.5-71.6174.6173.600112.2G161 T162 C163 R168 R169G161-E165 WeakPolarHBondContact O-CG 3.45Å; G161-E165 PolarHBondContact O-N 3.26Å; T162-E165 PolarHBondContact O-N 3.27Å; C163-E165 PolarHBondContact O-N 2.86Å; E165-R168 PolarHBondContact O-N 2.82Å; E165-R169 PolarHBondContact O-N 2.85Å
166W97.9Very high97.3Very high45 Ų4560.1 Ų60.117%0.1729%0.285CS..Hα-helixtrans-67.8-42178.6-80.9101.9000112.3M4 Y58 T162 C163 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.07Å; M4-W166 HydrophobicContact SD-CB 4.38Å; Y58-W166 AromaticContact CD2-CH2 3.56Å; Y58-W166 HydrophobicContact CD2-CH2 3.56Å; Y58-W166 HydrophobicContact CD2-CZ2 4.3Å; Y58-W166 AromaticContact CD2-CZ3 3.71Å; Y58-W166 HydrophobicContact CD2-CZ3 3.71Å; Y58-W166 HydrophobicContact CE2-CE3 4.17Å; Y58-W166 AromaticContact CE2-CH2 3.95Å; Y58-W166 HydrophobicContact CE2-CH2 3.95Å; Y58-W166 AromaticContact CE2-CZ3 3.69Å; Y58-W166 HydrophobicContact CE2-CZ3 3.69Å; T162-W166 VanDerWaalsContact CG2-CD1 3.46Å; T162-W166 PolarHBondContact O-N 2.9Å; C163-W166 PolarHBondContact O-N 3.03Å; W166-R168 VanDerWaalsContact C-N 3.34Å; W166-R168 PolarHBondContact O-N 3.09Å; W166-R169 WeakPolarHBondContact O-CB 3.26Å; W166-R169 PolarHBondContact O-N 3.07Å; W166-Y170 HydrophobicContact CB-CE2 4.09Å; W166-Y170 HydrophobicContact CE3-CD1 4.45Å; W166-Y170 AromaticContact CE3-CE1 3.54Å; W166-Y170 HydrophobicContact CE3-CE1 3.54Å; W166-Y170 HydrophobicContact CE3-CE2 4.33Å; W166-Y170 AromaticContact CE3-CZ 3.45Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.45Å; W166-Y170 AromaticContact CZ3-CE1 3.96Å; W166-Y170 HydrophobicContact CZ3-CE1 3.96Å; W166-Y170 VanDerWaalsContact O-CD2 3.31Å; W166-Y170 WeakPolarHBondContact O-CD2 3.27Å; W166-Y170 VanDerWaalsContact O-CG 3.25Å; W166-Y170 PolarHBondContact O-N 3.07Å
167L98.4Very high97Very high0 Ų058.5 Ų58.50%028%0.284CS..Hα-helixtrans-60.4-44.1176.617550.6000111.3H2 M4 V27 L102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.43Å; M4-L167 HydrophobicContact CB-CB 4.04Å; M4-L167 HydrophobicContact CB-CD1 4.03Å; M4-L167 HydrophobicContact CB-CD2 3.97Å; M4-L167 HydrophobicContact CB-CG 4.23Å; M4-L167 HydrophobicContact CE-CB 4.34Å; M4-L167 HydrophobicContact SD-CB 4.48Å; V27-L167 HydrophobicContact CG1-CD1 3.62Å; V27-L167 HydrophobicContact CG2-CD1 4.29Å; L102-L167 HydrophobicContact CD1-CB 4.28Å; L102-L167 HydrophobicContact CD1-CD2 3.69Å; L102-L167 HydrophobicContact CD1-CG 3.73Å; L102-L167 HydrophobicContact CD2-CD2 4.5Å; L102-L167 HydrophobicContact CG-CD2 3.57Å; L102-L167 HydrophobicContact CG-CG 4.21Å; C163-L167 WeakPolarHBondContact O-CB 3.39Å; C163-L167 PolarHBondContact O-N 3.35Å; V164-L167 PolarHBondContact O-N 2.73Å; L167-R169 VanDerWaalsContact C-N 3.35Å; L167-R169 PolarHBondContact O-N 3.28Å; L167-Y170 PolarHBondContact O-N 2.74Å; L167-L171 HydrophobicContact CD1-CD1 3.83Å; L167-L171 HydrophobicContact CD1-CD2 4.4Å; L167-L171 HydrophobicContact CD1-CG 3.84Å; L167-L171 HydrophobicContact CG-CD1 4.03Å; L167-L171 HydrophobicContact CG-CG 4.5Å; L167-L171 WeakPolarHBondContact O-CB 3.44Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.36Å; L167-L171 PolarHBondContact O-N 3.29Å
168R97.5Very high96.7Very high121 Ų12155.7 Ų55.746%0.45726%0.26SS..Hα-helixtrans-60-43.6174.3-72.7175.6-176.9163.1-0.2112.4L102 G106 V164 E165 W166 L171 E172L102-R168 HydrophobicContact CD1-CG 3.96Å; G106-R168 VanDerWaalsContact O-CZ 3.31Å; G106-R168 PolarHBondContact O-NE 3.23Å; G106-R168 VanDerWaalsContact O-NE 3.09Å; G106-R168 PolarHBondContact O-NH2 2.97Å; V164-R168 WeakPolarHBondContact O-CG 2.97Å; V164-R168 PolarHBondContact O-N 2.85Å; E165-R168 PolarHBondContact O-N 2.82Å; W166-R168 VanDerWaalsContact C-N 3.34Å; W166-R168 PolarHBondContact O-N 3.09Å; R168-L171 PolarHBondContact O-N 3.46Å; R168-E172 PolarHBondContact O-N 2.82Å
169R97.3Very high96.4Very high122 Ų12257.3 Ų57.346%0.4627%0.269SS..Hα-helixtrans-60.7-44.7176.5179.7179.9174.5108.7-5.7111.4E54 E165 W166 L167 E172 N173E54-R169 IonicContact OE1-CZ 3.8Å; E54-R169 IonicContact OE1-NE 3.31Å; E54-R169 PolarHBondContact OE1-NE 2.93Å; E54-R169 IonicContact OE1-NH2 3.53Å; E54-R169 PolarHBondContact OE1-NH2 2.68Å; E54-R169 IonicContact OE2-CZ 3.78Å; E54-R169 IonicContact OE2-NE 2.74Å; E54-R169 PolarHBondContact OE2-NE 3.29Å; E54-R169 IonicContact OE2-NH2 2.96Å; E54-R169 PolarHBondContact OE2-NH2 3.16Å; E165-R169 PolarHBondContact O-N 2.85Å; W166-R169 WeakPolarHBondContact O-CB 3.26Å; W166-R169 PolarHBondContact O-N 3.07Å; L167-R169 VanDerWaalsContact C-N 3.35Å; L167-R169 PolarHBondContact O-N 3.28Å; R169-E172 PolarHBondContact O-N 2.9Å; R169-N173 WeakPolarHBondContact O-CB 3.46Å; R169-N173 PolarHBondContact O-N 2.61Å; R169-N173 PolarHBondContact O-OD1 2.98Å
170Y97.8Very high96.1Very high1 Ų161.1 Ų61.10%0.00428%0.284CS..Hα-helixtrans-67.1-39.3178.8-62.1-29.3000112.7M4 V27 F32 W50 V51 Y58 W166 L167 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.78Å; M4-Y170 HydrophobicContact SD-CE2 3.6Å; M4-Y170 VanDerWaalsContact SD-CE2 3.6Å; V27-Y170 HydrophobicContact CG2-CD2 3.93Å; V27-Y170 HydrophobicContact CG2-CG 4.45Å; F32-Y170 HydrophobicContact CD2-CE2 4.37Å; F32-Y170 HydrophobicContact CE2-CD2 4.25Å; F32-Y170 AromaticContact CE2-CE2 3.58Å; F32-Y170 HydrophobicContact CE2-CE2 3.58Å; F32-Y170 AromaticContact CE2-CZ 3.85Å; F32-Y170 HydrophobicContact CZ-CD2 4.31Å; F32-Y170 AromaticContact CZ-CE2 3.75Å; F32-Y170 HydrophobicContact CZ-CE2 3.75Å; W50-Y170 HydrophobicContact CE3-CD1 4.28Å; W50-Y170 HydrophobicContact CE3-CG 4.47Å; W50-Y170 HydrophobicContact CH2-CD2 4.47Å; W50-Y170 HydrophobicContact CH2-CG 4.13Å; W50-Y170 AromaticContact CZ3-CD1 3.63Å; W50-Y170 HydrophobicContact CZ3-CD1 3.63Å; W50-Y170 HydrophobicContact CZ3-CD2 4.24Å; W50-Y170 HydrophobicContact CZ3-CE1 4.36Å; W50-Y170 AromaticContact CZ3-CG 3.57Å; W50-Y170 HydrophobicContact CZ3-CG 3.57Å; V51-Y170 HydrophobicContact CG2-CE1 4.43Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.43Å; Y58-Y170 PolarHBondContact OH-OH 3.25Å; W166-Y170 HydrophobicContact CB-CE2 4.09Å; W166-Y170 HydrophobicContact CE3-CD1 4.45Å; W166-Y170 AromaticContact CE3-CE1 3.54Å; W166-Y170 HydrophobicContact CE3-CE1 3.54Å; W166-Y170 HydrophobicContact CE3-CE2 4.33Å; W166-Y170 AromaticContact CE3-CZ 3.45Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.45Å; W166-Y170 AromaticContact CZ3-CE1 3.96Å; W166-Y170 HydrophobicContact CZ3-CE1 3.96Å; W166-Y170 VanDerWaalsContact O-CD2 3.31Å; W166-Y170 WeakPolarHBondContact O-CD2 3.27Å; W166-Y170 VanDerWaalsContact O-CG 3.25Å; W166-Y170 PolarHBondContact O-N 3.07Å; L167-Y170 PolarHBondContact O-N 2.74Å; Y170-E172 VanDerWaalsContact C-N 3.27Å; Y170-E172 PolarHBondContact O-N 3.38Å; Y170-N173 PolarHBondContact O-N 3.06Å; Y170-G174 WeakPolarHBondContact O-CA 3.36Å; Y170-G174 PolarHBondContact O-N 2.95Å; Y170-L178 WeakPolarHBondContact O-CD1 3.3Å
171L97Very high96Very high14 Ų1458.8 Ų58.87%0.07328%0.28CS..Hα-helixtrans-63-33.9174.8-71.5169.2000112.6H2 V27 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.69Å; H2-L171 HydrophobicContact CB-CD2 3.95Å; H2-L171 HydrophobicContact CB-CG 4.4Å; H2-L171 VanDerWaalsContact CG-CD2 3.49Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.47Å; V27-L171 HydrophobicContact CG1-CD2 4.09Å; L167-L171 HydrophobicContact CD1-CD1 3.83Å; L167-L171 HydrophobicContact CD1-CD2 4.4Å; L167-L171 HydrophobicContact CD1-CG 3.84Å; L167-L171 HydrophobicContact CG-CD1 4.03Å; L167-L171 HydrophobicContact CG-CG 4.5Å; L167-L171 WeakPolarHBondContact O-CB 3.44Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.36Å; L167-L171 PolarHBondContact O-N 3.29Å; R168-L171 PolarHBondContact O-N 3.46Å; L171-K175 VanDerWaalsContact O-CA 3.22Å; L171-K175 WeakPolarHBondContact O-CA 3.31Å; L171-K175 WeakPolarHBondContact O-CB 3.5Å; L171-K175 PolarHBondContact O-N 3.21Å; L171-K175 VanDerWaalsContact O-N 3.17Å; L171-L178 HydrophobicContact CD2-CB 4.12Å; L171-L178 HydrophobicContact CD2-CD1 4.34Å; L171-Q179 PolarHBondContact O-NE2 3.28Å
172E96.6Very high95.9Very high125 Ų12560.8 Ų60.858%0.58428%0.283SS*.Hα-helixtrans-73.7-49.3174.1-171.259.9-151.400111.1R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 2.82Å; R169-E172 PolarHBondContact O-N 2.9Å; Y170-E172 VanDerWaalsContact C-N 3.27Å; Y170-E172 PolarHBondContact O-N 3.38Å; E172-G174 VanDerWaalsContact C-N 3.3Å; E172-G174 PolarHBondContact O-N 2.81Å; E172-K175 WeakPolarHBondContact O-CB 3.18Å; E172-K175 PolarHBondContact O-N 3.02Å
173N97Very high95.8Very high50 Ų5063 Ų6327%0.26729%0.29SS..Hα-helixtrans-59.3-40.7179.1-70.2-3.9000112.5W50 Q53 E54 R169 Y170W50-N173 HydrophobicContact CB-CB 4.44Å; Q53-N173 VanDerWaalsContact NE2-CB 3.27Å; Q53-N173 PolarHBondContact NE2-ND2 3.03Å; Q53-N173 PolarHBondContact NE2-OD1 2.83Å; E54-N173 PolarHBondContact OE1-ND2 3.2Å; E54-N173 VanDerWaalsContact OE1-ND2 3.14Å; R169-N173 WeakPolarHBondContact O-CB 3.46Å; R169-N173 PolarHBondContact O-N 2.61Å; R169-N173 PolarHBondContact O-OD1 2.98Å; Y170-N173 PolarHBondContact O-N 3.06Å
174G96.2Very high95.8Very high2 Ų263.4 Ų63.42%0.02129%0.292CS..THydrogen-bonded Turntrans-102.819-175.800000113.7Y170 E172 E176 T177 L178Y170-G174 WeakPolarHBondContact O-CA 3.36Å; Y170-G174 PolarHBondContact O-N 2.95Å; E172-G174 VanDerWaalsContact C-N 3.3Å; E172-G174 PolarHBondContact O-N 2.81Å; G174-E176 VanDerWaalsContact C-N 3.28Å; G174-E176 PolarHBondContact O-N 3Å; G174-E176 VanDerWaalsContact O-N 3.14Å; G174-T177 CarbonylContact O-C 3.58Å; G174-T177 WeakPolarHBondContact O-CA 3.49Å; G174-T177 PolarHBondContact O-N 3.45Å; G174-L178 PolarHBondContact O-N 3.15Å
175K94.7Very high95.8Very high109 Ų10970.6 Ų70.647%0.47432%0.323SS..Hα-helixtrans-49-44.7-170.9-177.1173.4-176.2175.10114.2L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.22Å; L171-K175 WeakPolarHBondContact O-CA 3.31Å; L171-K175 WeakPolarHBondContact O-CB 3.5Å; L171-K175 PolarHBondContact O-N 3.21Å; L171-K175 VanDerWaalsContact O-N 3.17Å; E172-K175 WeakPolarHBondContact O-CB 3.18Å; E172-K175 PolarHBondContact O-N 3.02Å; K175-T177 PolarHBondContact O-N 3.12Å; K175-Q179 WeakPolarHBondContact O-CB 3.42Å; K175-Q179 PolarHBondContact O-N 3.31Å; K175-Q179 VanDerWaalsContact O-N 3.13Å
176E91.9Very high95.8Very high178 Ų17866.3 Ų66.383%0.83231%0.306SS*.Hα-helixtrans-65.1-23.7-180-62.2-176166.800113.6G174 R180G174-E176 VanDerWaalsContact C-N 3.28Å; G174-E176 PolarHBondContact O-N 3Å; G174-E176 VanDerWaalsContact O-N 3.14Å; E176-R180 WeakPolarHBondContact O-CD 3.36Å
177T91.4Very high95.7Very high43 Ų4368 Ų6826%0.26432%0.315SS..Hα-helixtrans-102.8-43.1-178.4-62.40000112.6G174 K175 R180G174-T177 CarbonylContact O-C 3.58Å; G174-T177 WeakPolarHBondContact O-CA 3.49Å; G174-T177 PolarHBondContact O-N 3.45Å; K175-T177 PolarHBondContact O-N 3.12Å; T177-R180 WeakPolarHBondContact O-CG 3.41Å
178L93.2Very high95.7Very high4 Ų469.1 Ų69.12%0.02132%0.322CS..Hα-helixtrans-86.9-26.3-172-63.2172000113.1V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.26Å; V27-L178 HydrophobicContact CB-CD2 4.11Å; V27-L178 HydrophobicContact CG1-CD1 3.87Å; V27-L178 HydrophobicContact CG1-CD2 4.06Å; V27-L178 HydrophobicContact CG1-CG 4.48Å; T30-L178 HydrophobicContact CG2-CD2 4.1Å; W50-L178 HydrophobicContact CD2-CD1 4.41Å; W50-L178 HydrophobicContact CH2-CD1 4.34Å; W50-L178 HydrophobicContact CZ2-CD1 3.83Å; W50-L178 HydrophobicContact CZ2-CD2 4.1Å; W50-L178 HydrophobicContact CZ2-CG 4.37Å; Y170-L178 WeakPolarHBondContact O-CD1 3.3Å; L171-L178 HydrophobicContact CD2-CB 4.12Å; L171-L178 HydrophobicContact CD2-CD1 4.34Å; G174-L178 PolarHBondContact O-N 3.15Å
179Q91.3Very high95.7Very high94 Ų9464.9 Ų64.944%0.43931%0.31SS..THydrogen-bonded Turntrans-105.421.1179.1-55.5-179.13400111.9L171 K175L171-Q179 PolarHBondContact O-NE2 3.28Å; K175-Q179 WeakPolarHBondContact O-CB 3.42Å; K175-Q179 PolarHBondContact O-N 3.31Å; K175-Q179 VanDerWaalsContact O-N 3.13Å
180R92.7Very high95.6Very high81 Ų8161.6 Ų61.631%0.30630%0.299SS..  trans-95148.9171.483.9-171-175.5-138.60109.5E176 T177 E182 Y208E176-R180 WeakPolarHBondContact O-CD 3.36Å; T177-R180 WeakPolarHBondContact O-CG 3.41Å; R180-E182 HydrophobicContact CG-CG 4.49Å; R180-E182 IonicContact CZ-OE1 3.38Å; R180-E182 IonicContact NE-OE1 2.8Å; R180-E182 PolarHBondContact NE-OE1 2.87Å; R180-E182 IonicContact NH2-OE1 3.67Å; R180-E182 PolarHBondContact NH2-OE1 3.3Å; R180-Y208 HydrophobicContact CG-CD1 4.32Å; R180-Y208 WeakPolarHBondContact O-CD1 3.21Å
181A94.3Very high95.5Very high40 Ų4065.2 Ų65.233%0.33132%0.316SS..  trans-120.4122.5165.500000108.4Y208 E263A181-Y208 CarbonylContact C-O 3.56Å; A181-Y208 WeakPolarHBondContact CA-O 3.4Å; A181-E263 HydrophobicContact CB-CG 4.37Å
182E95.6Very high95.4Very high65 Ų6569.3 Ų69.330%0.30434%0.344SS..BIsolated β-bridgetrans-98.6120.7174.9-68.5-176.5-130.300108.7R180 F207 Y208 H262R180-E182 HydrophobicContact CG-CG 4.49Å; R180-E182 IonicContact CZ-OE1 3.38Å; R180-E182 IonicContact NE-OE1 2.8Å; R180-E182 PolarHBondContact NE-OE1 2.87Å; R180-E182 IonicContact NH2-OE1 3.67Å; R180-E182 PolarHBondContact NH2-OE1 3.3Å; E182-F207 VanDerWaalsContact O-CA 3.24Å; E182-F207 WeakPolarHBondContact O-CA 3.4Å; E182-F207 WeakPolarHBondContact O-CB 3.37Å; E182-Y208 PolarHBondContact N-O 3.37Å; E182-Y208 PolarHBondContact O-N 3.02Å; E182-Y208 VanDerWaalsContact O-N 3.16Å; E182-H262 PolarHBondContact O-CE1 2.9Å
183H96.4Very high95.1Very high98 Ų9867.9 Ų67.945%0.45434%0.343SS..PPolyproline II helixtrans-70.1143.7-178.5-52.6-100.5000111.5K185 G264 L265H183-K185 PolarHBondContact O-N 3.46Å; H183-G264 PolarHBondContact CE1-O 3.07Å; H183-G264 PolarHBondContact ND1-O 3.31Å; H183-L265 HydrophobicContact CB-CD2 4.11Å; H183-L265 PolarHBondContact ND1-N 3.06Å
184P97.9Very high94.9Very high9 Ų968 Ų686%0.05835%0.348CS..PPolyproline II helixtrans-66.3130.7176.128.1-34.7000111.3T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 3.9Å; P184-T186 HydrophobicContact CG-CG2 4.12Å; P184-T186 PolarHBondContact O-N 2.91Å; P184-A204 HydrophobicContact CB-CB 3.87Å; P184-F207 HydrophobicContact CB-CB 3.88Å; P184-F207 HydrophobicContact CB-CD1 3.95Å; P184-F207 HydrophobicContact CB-CG 4.18Å; P184-I212 HydrophobicContact CB-CD1 4.02Å; P184-I212 HydrophobicContact CG-CD1 4.12Å; P184-V260 HydrophobicContact CG-CG1 3.96Å; P184-H262 HydrophobicContact CG-CB 4.16Å; P184-L265 HydrophobicContact CG-CD1 3.87Å; P184-L265 HydrophobicContact CG-CG 4.25Å
185K97.9Very high94.6Very high157 Ų15775.1 Ų75.168%0.68339%0.385SS*.EExtended strand (participates in β ladder)trans-77.4111.9163.4-65.4171.3-173.4165.40107.7H183 L205H183-K185 PolarHBondContact O-N 3.46Å; K185-L205 PolarHBondContact N-O 2.54Å; K185-L205 PolarHBondContact O-N 3.32Å
186T97.9Very high94.5Very high35 Ų3576.8 Ų76.822%0.21540%0.395CS..EExtended strand (participates in β ladder)trans-113146.3-172.158.90000112.6P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 3.9Å; P184-T186 HydrophobicContact CG-CG2 4.12Å; P184-T186 PolarHBondContact O-N 2.91Å; T186-W203 WeakPolarHBondContact CA-O 3.46Å; T186-W203 WeakPolarHBondContact CB-O 3.37Å; T186-A204 HydrophobicContact CG2-CB 4.3Å; T186-V260 HydrophobicContact CG2-CB 4.48Å; T186-V260 HydrophobicContact CG2-CG1 4.19Å; T186-V260 HydrophobicContact CG2-CG2 4.09Å; T186-L269 HydrophobicContact CG2-CD1 4.45Å; T186-L271 VanDerWaalsContact CB-CD1 3.42Å; T186-L271 HydrophobicContact CG2-CD1 4.15Å; T186-L271 WeakPolarHBondContact OG1-CD1 3.36Å
187H97.3Very high94.6Very high80 Ų8072.7 Ų72.737%0.3738%0.376SS..EExtended strand (participates in β ladder)trans-161.5159.2172.461.9-75.2000110.2W203H187-W203 VanDerWaalsContact CE1-CB 3.43Å; H187-W203 WeakPolarHBondContact CE1-CB 3.2Å; H187-W203 AromaticContact CE1-CD1 3.98Å; H187-W203 AromaticContact CE1-CG 3.73Å; H187-W203 PolarHBondContact N-O 2.8Å; H187-W203 AromaticContact NE2-CD1 3.53Å; H187-W203 AromaticContact NE2-CG 3.73Å; H187-W203 PolarHBondContact O-N 3.2Å
188V98.1Very high94.9Very high23 Ų2370.7 Ų70.714%0.13936%0.363CS..EExtended strand (participates in β ladder)trans-111.4126.6175.9-178.70000109.3L200 R201 C202 W216 L271 W273V188-L200 HydrophobicContact CG1-CB 4.34Å; V188-L200 HydrophobicContact CG1-CD2 4.39Å; V188-R201 WeakPolarHBondContact CA-O 3.33Å; V188-C202 HydrophobicContact CG2-CB 4.45Å; V188-W216 HydrophobicContact CG1-CH2 3.87Å; V188-W216 HydrophobicContact CG1-CZ2 4.3Å; V188-W216 HydrophobicContact CG2-CH2 4.31Å; V188-L271 HydrophobicContact CG2-CB 3.93Å; V188-W273 HydrophobicContact CB-CB 4.43Å; V188-W273 HydrophobicContact CG1-CB 3.82Å
189T96.8Very high95.1Very high33 Ų3371.5 Ų71.520%0.20237%0.368CS..EExtended strand (participates in β ladder)trans-102.1146.8173.950.70000110.2H191 L200 R201 W203T189-H191 PolarHBondContact OG1-NE2 2.8Å; T189-L200 WeakPolarHBondContact O-CA 3.22Å; T189-R201 PolarHBondContact N-O 2.88Å; T189-R201 PolarHBondContact O-N 3.35Å; T189-R201 WeakPolarHBondContact OG1-CB 3.38Å; T189-R201 PolarHBondContact OG1-O 3Å; T189-R201 VanDerWaalsContact OG1-O 3.09Å; T189-W203 PolarHBondContact OG1-NE1 2.74Å; T189-W203 VanDerWaalsContact OG1-NE1 3.12Å
190H96.2Very high95.4Very high52 Ų5267 Ų6724%0.24135%0.347CS..EExtended strand (participates in β ladder)trans-120.8126.2179.7169.4-92.4000109.6A198 L200 E253 W273H190-A198 WeakPolarHBondContact NE2-CB 3.28Å; H190-L200 HydrophobicContact CB-CD2 3.99Å; H190-E253 IonicContact NE2-OE1 3.52Å; H190-W273 HydrophobicContact CB-CD2 4.12Å; H190-W273 HydrophobicContact CB-CG 4.17Å; H190-W273 HydrophobicContact CB-CZ2 4.01Å; H190-W273 VanDerWaalsContact CB-NE1 3.27Å; H190-W273 AromaticContact CG-CE2 3.78Å; H190-W273 AromaticContact CG-CZ2 3.79Å; H190-W273 AromaticContact ND1-CZ2 3.97Å
191H95.1Very high95.6Very high78 Ų7865.8 Ų65.836%0.36134%0.343SS..EExtended strand (participates in β ladder)trans-127.4104.2-178.7-58.4-67.3000109.3T189 V193 A198 T199 R201T189-H191 PolarHBondContact OG1-NE2 2.8Å; H191-V193 PolarHBondContact O-N 3.13Å; H191-A198 CarbonylContact O-C 3.54Å; H191-A198 WeakPolarHBondContact O-CA 3.37Å; H191-T199 PolarHBondContact N-O 3.14Å; H191-T199 PolarHBondContact O-N 3.17Å; H191-R201 PolarHBondContact CD2-NH1 2.72Å; H191-R201 VanDerWaalsContact CD2-NH1 3.31Å; H191-R201 PolarHBondContact NE2-NH1 2.79Å
192P94.2Very high95.8Very high100 Ų10063.9 Ų63.965%0.64933%0.327SS*.EExtended strand (participates in β ladder)trans-57.8131.4173.3-2030.2000110.6
193V91.3Very high96Very high94 Ų9463 Ų6357%0.5732%0.321SS*.  trans-104.8-41.9176.1-1790000110H191 E197 T199H191-V193 PolarHBondContact O-N 3.13Å; V193-E197 PolarHBondContact N-O 2.94Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.4Å
194S92.3Very high96.1Very high53 Ų5358.4 Ų58.437%0.37130%0.299SS..SBendtrans-147.8-177.9175.372.10000110.6H196 E197S194-H196 PolarHBondContact O-N 3.46Å; S194-H196 PolarHBondContact OG-N 3.36Å; S194-H196 VanDerWaalsContact OG-N 3.16Å; S194-E197 PolarHBondContact N-O 3.24Å; S194-E197 VanDerWaalsContact O-O 3.11Å; S194-E197 PolarHBondContact OG-N 3.09Å
195D89.6Confident96.1Very high151 Ų15160.6 Ų60.681%0.80731%0.31SS*.SBendtrans-66.3-10.5172.4-65.4-21.6000113.3
196H93Very high96.1Very high145 Ų14554 Ų5467%0.67129%0.287SS*.SBendtrans-115.5-16.5-175.4-55.7-44.9000113.4S194 P249 S250S194-H196 PolarHBondContact O-N 3.46Å; S194-H196 PolarHBondContact OG-N 3.36Å; S194-H196 VanDerWaalsContact OG-N 3.16Å; H196-P249 CarbonylContact O-C 3.6Å; H196-P249 WeakPolarHBondContact O-CA 3.05Å; H196-S250 PolarHBondContact O-N 2.84Å; H196-S250 PolarHBondContact O-OG 3.27Å
197E95.1Very high96.1Very high92 Ų9252.3 Ų52.343%0.4328%0.277SS..EExtended strand (participates in β ladder)trans-144.3144.9-170.7-66.5179.5169.500112.1V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 2.94Å; S194-E197 PolarHBondContact N-O 3.24Å; S194-E197 VanDerWaalsContact O-O 3.11Å; S194-E197 PolarHBondContact OG-N 3.09Å; E197-V247 HydrophobicContact CB-CG1 4.08Å; E197-V247 HydrophobicContact CG-CG1 4.3Å; E197-V248 WeakPolarHBondContact CA-O 3.14Å; E197-S250 PolarHBondContact N-OG 2.88Å
198A95.8Very high96.1Very high0 Ų048.7 Ų48.70%026%0.26CS..EExtended strand (participates in β ladder)trans-133.7155.4171.100000110.6H190 H191 V248H190-A198 WeakPolarHBondContact NE2-CB 3.28Å; H191-A198 CarbonylContact O-C 3.54Å; H191-A198 WeakPolarHBondContact O-CA 3.37Å; A198-V248 HydrophobicContact CB-CG2 4.47Å; A198-V248 PolarHBondContact N-O 3.21Å; A198-V248 WeakPolarHBondContact O-CG2 3.3Å; A198-V248 PolarHBondContact O-N 3.36Å
199T97.4Very high96Very high22 Ų2248.3 Ų48.314%0.13526%0.258CS..EExtended strand (participates in β ladder)trans-96.3123.1169.5-55.20000109.4H191 V193 A245 V246H191-T199 PolarHBondContact N-O 3.14Å; H191-T199 PolarHBondContact O-N 3.17Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.4Å; T199-A245 HydrophobicContact CG2-CB 3.91Å; T199-V246 WeakPolarHBondContact CA-O 3.43Å
200L97.9Very high96Very high0 Ų047.5 Ų47.50%026%0.255CS..EExtended strand (participates in β ladder)trans-93.8127.1164.5-63.4-176.7000108.9V188 T189 H190 W216 A245 V246 V248 E253 W273V188-L200 HydrophobicContact CG1-CB 4.34Å; V188-L200 HydrophobicContact CG1-CD2 4.39Å; T189-L200 WeakPolarHBondContact O-CA 3.22Å; H190-L200 HydrophobicContact CB-CD2 3.99Å; L200-W216 HydrophobicContact CB-CH2 3.68Å; L200-W216 HydrophobicContact CB-CZ2 3.8Å; L200-W216 HydrophobicContact CB-CZ3 4.48Å; L200-W216 HydrophobicContact CD1-CH2 4.02Å; L200-W216 HydrophobicContact CD1-CZ3 4.2Å; L200-W216 HydrophobicContact CG-CH2 4.5Å; L200-A245 CarbonylContact O-C 3.58Å; L200-A245 WeakPolarHBondContact O-CA 3.1Å; L200-V246 HydrophobicContact CB-CG2 4.18Å; L200-V246 PolarHBondContact N-O 3.35Å; L200-V246 PolarHBondContact O-N 3.31Å; L200-V248 HydrophobicContact CD1-CG1 4.03Å; L200-V248 HydrophobicContact CD1-CG2 4.06Å; L200-V248 HydrophobicContact CG-CG1 4.19Å; L200-V248 HydrophobicContact CG-CG2 3.85Å; L200-E253 HydrophobicContact CD1-CB 4.12Å; L200-E253 HydrophobicContact CD2-CG 4.36Å; L200-W273 HydrophobicContact CD1-CB 4.4Å; L200-W273 HydrophobicContact CD2-CB 3.84Å; L200-W273 HydrophobicContact CD2-CD2 4.35Å; L200-W273 HydrophobicContact CD2-CG 3.95Å
201R98.2Very high96.1Very high54 Ų5452 Ų5220%0.20428%0.276CS..EExtended strand (participates in β ladder)trans-122.6117.6176.1-179.7-177.1-62.5116.6-0.4110.4V188 T189 H191 W203 W243 A244 A245V188-R201 WeakPolarHBondContact CA-O 3.33Å; T189-R201 PolarHBondContact N-O 2.88Å; T189-R201 PolarHBondContact O-N 3.35Å; T189-R201 WeakPolarHBondContact OG1-CB 3.38Å; T189-R201 PolarHBondContact OG1-O 3Å; T189-R201 VanDerWaalsContact OG1-O 3.09Å; H191-R201 PolarHBondContact CD2-NH1 2.72Å; H191-R201 VanDerWaalsContact CD2-NH1 3.31Å; H191-R201 PolarHBondContact NE2-NH1 2.79Å; R201-W203 HydrophobicContact CG-CZ2 4.4Å; R201-W243 HydrophobicContact CG-CB 4Å; R201-W243 HydrophobicContact CG-CD2 4.09Å; R201-W243 HydrophobicContact CG-CE3 3.86Å; R201-W243 HydrophobicContact CG-CG 4.21Å; R201-A244 WeakPolarHBondContact CA-O 3.04Å; R201-A245 HydrophobicContact CB-CB 4Å; R201-A245 HydrophobicContact CG-CB 4.15Å
202C98.3Very high96.2Very high0 Ų048.7 Ų48.70%026%0.261CS..EExtended strand (participates in β ladder)trans-89.8122.3175.4-174.10000109.6V188 W216 W243 A244 C258V188-C202 HydrophobicContact CG2-CB 4.45Å; C202-W216 HydrophobicContact CB-CZ2 3.64Å; C202-W243 CarbonylContact O-C 3.59Å; C202-W243 WeakPolarHBondContact O-CA 3.3Å; C202-W243 WeakPolarHBondContact O-CB 3.45Å; C202-A244 PolarHBondContact N-O 3.07Å; C202-A244 PolarHBondContact O-N 2.99Å; C202-C258 HydrophobicContact CB-CB 3.52Å; C202-C258 WeakPolarHBondContact CB-SG 3.4Å; C202-C258 WeakPolarHBondContact SG-CB 3.38Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 2.79Å
203W98.4Very high96.4Very high48 Ų4846.7 Ų46.718%0.18225%0.247CC..EExtended strand (participates in β ladder)trans-104.7141.9-179.9-69.689.9000110.7T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.46Å; T186-W203 WeakPolarHBondContact CB-O 3.37Å; H187-W203 VanDerWaalsContact CE1-CB 3.43Å; H187-W203 WeakPolarHBondContact CE1-CB 3.2Å; H187-W203 AromaticContact CE1-CD1 3.98Å; H187-W203 AromaticContact CE1-CG 3.73Å; H187-W203 PolarHBondContact N-O 2.8Å; H187-W203 AromaticContact NE2-CD1 3.53Å; H187-W203 AromaticContact NE2-CG 3.73Å; H187-W203 PolarHBondContact O-N 3.2Å; T189-W203 PolarHBondContact OG1-NE1 2.74Å; T189-W203 VanDerWaalsContact OG1-NE1 3.12Å; R201-W203 HydrophobicContact CG-CZ2 4.4Å; W203-L205 HydrophobicContact CE3-CD2 3.89Å; W203-L205 HydrophobicContact CZ3-CD2 4.43Å; W203-W243 HydrophobicContact CD2-CB 3.96Å; W203-W243 HydrophobicContact CD2-CG 4.46Å; W203-W243 HydrophobicContact CE3-CB 3.86Å; W203-W243 AromaticContact CE3-CD1 3.87Å; W203-W243 HydrophobicContact CE3-CG 4.17Å; W203-W243 HydrophobicContact CG-CB 4.39Å; W203-W243 AromaticContact CH2-CD1 3.65Å; W203-W243 HydrophobicContact CH2-CG 4.27Å; W203-W243 HydrophobicContact CZ3-CB 4.29Å; W203-W243 AromaticContact CZ3-CD1 3.41Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.41Å; W203-W243 HydrophobicContact CZ3-CG 4.09Å
204A98.5Very high96.7Very high0 Ų042.5 Ų42.50%022%0.221CC..EExtended strand (participates in β ladder)trans-125.6122.8162.600000107.8P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.87Å; T186-A204 HydrophobicContact CG2-CB 4.3Å; A204-F207 HydrophobicContact CB-CD1 4.08Å; A204-F207 HydrophobicContact CB-CE1 3.85Å; A204-F207 WeakPolarHBondContact O-CE1 3.07Å; A204-I212 HydrophobicContact CB-CD1 3.69Å; A204-L214 HydrophobicContact CB-CD1 4.04Å; A204-L214 HydrophobicContact CB-CD2 4.16Å; A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 3.36Å; A204-K242 PolarHBondContact N-O 3.01Å; A204-K242 PolarHBondContact O-N 3.07Å; A204-K242 VanDerWaalsContact O-O 3.08Å
205L98.3Very high97Very high55 Ų5541.7 Ų41.729%0.28821%0.214SC..EExtended strand (participates in β ladder)trans-130.8147.7-174.7-58.1177000110.9K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 2.54Å; K185-L205 PolarHBondContact O-N 3.32Å; W203-L205 HydrophobicContact CE3-CD2 3.89Å; W203-L205 HydrophobicContact CZ3-CD2 4.43Å; L205-F207 PolarHBondContact O-N 3.09Å; L205-Q241 HydrophobicContact CD2-CB 3.55Å
206G97.6Very high97.4Very high19 Ų1934.6 Ų34.620%0.19618%0.176CC..EExtended strand (participates in β ladder)trans67.935.5168.500000113.6F240G206-F240 PolarHBondContact N-O 3.17Å
207F97.9Very high97.6Very high0 Ų029.7 Ų29.70%015%0.153CC..EExtended strand (participates in β ladder)trans-105.9155.5178.560-89.5000112E182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262E182-F207 VanDerWaalsContact O-CA 3.24Å; E182-F207 WeakPolarHBondContact O-CA 3.4Å; E182-F207 WeakPolarHBondContact O-CB 3.37Å; P184-F207 HydrophobicContact CB-CB 3.88Å; P184-F207 HydrophobicContact CB-CD1 3.95Å; P184-F207 HydrophobicContact CB-CG 4.18Å; A204-F207 HydrophobicContact CB-CD1 4.08Å; A204-F207 HydrophobicContact CB-CE1 3.85Å; A204-F207 WeakPolarHBondContact O-CE1 3.07Å; L205-F207 PolarHBondContact O-N 3.09Å; F207-P209 VanDerWaalsContact CD2-O 3.3Å; F207-P209 WeakPolarHBondContact CD2-O 3.41Å; F207-I212 HydrophobicContact CD1-CD1 3.9Å; F207-I212 HydrophobicContact CD2-CB 4.27Å; F207-I212 HydrophobicContact CD2-CD1 3.98Å; F207-I212 HydrophobicContact CE1-CD1 3.82Å; F207-I212 HydrophobicContact CE1-CG2 4.43Å; F207-I212 HydrophobicContact CE2-CB 3.74Å; F207-I212 HydrophobicContact CE2-CD1 3.92Å; F207-I212 HydrophobicContact CE2-CG1 4.42Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 3.99Å; F207-I212 HydrophobicContact CZ-CB 4.12Å; F207-I212 HydrophobicContact CZ-CD1 3.86Å; F207-I212 HydrophobicContact CZ-CG2 3.53Å; F207-T232 HydrophobicContact CE2-CG2 4.08Å; F207-T232 HydrophobicContact CZ-CG2 3.89Å; F207-T239 CarbonylContact O-C 3.55Å; F207-T239 WeakPolarHBondContact O-CA 3.39Å; F207-F240 WeakPolarHBondContact CD1-O 3.25Å; F207-F240 HydrophobicContact CD2-CB 3.96Å; F207-F240 HydrophobicContact CE1-CB 4.27Å; F207-F240 WeakPolarHBondContact CE1-O 3.49Å; F207-F240 HydrophobicContact CE2-CB 3.5Å; F207-F240 VanDerWaalsContact CE2-CB 3.5Å; F207-F240 HydrophobicContact CE2-CG 4.49Å; F207-F240 HydrophobicContact CG-CB 4.49Å; F207-F240 HydrophobicContact CZ-CB 3.65Å; F207-F240 PolarHBondContact N-O 3.38Å; F207-F240 PolarHBondContact O-N 2.9Å; F207-K242 HydrophobicContact CE1-CB 4.39Å; F207-K242 HydrophobicContact CZ-CB 4.13Å; F207-H262 AromaticContact CD2-CD2 3.79Å; F207-H262 AromaticContact CD2-NE2 3.64Å
208Y97.1Very high97.7Very high4 Ų428.8 Ų28.82%0.01615%0.146CC..BIsolated β-bridgetrans-150.7136.9173.3178.6-84.9000108.1D29 T30 R180 A181 E182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 4.02Å; T30-Y208 PolarHBondContact OG1-OH 3.28Å; R180-Y208 HydrophobicContact CG-CD1 4.32Å; R180-Y208 WeakPolarHBondContact O-CD1 3.21Å; A181-Y208 CarbonylContact C-O 3.56Å; A181-Y208 WeakPolarHBondContact CA-O 3.4Å; E182-Y208 PolarHBondContact N-O 3.37Å; E182-Y208 PolarHBondContact O-N 3.02Å; E182-Y208 VanDerWaalsContact O-N 3.16Å; Y208-G238 WeakPolarHBondContact CD2-O 3.46Å; Y208-F240 HydrophobicContact CD2-CD2 4.41Å; Y208-F240 AromaticContact CD2-CE2 3.94Å; Y208-F240 HydrophobicContact CD2-CE2 3.94Å; Y208-F240 HydrophobicContact CE2-CE2 4.38Å; Y208-H262 PolarHBondContact O-CE1 3.32Å
209P96.7Very high97.7Very high14 Ų1433.5 Ų33.59%0.09117%0.171CC..SBendcis-71.8-176.82.130.2-37.4000113.9D29 F207 E211 H262 E263D29-P209 VanDerWaalsContact OD2-CB 3.24Å; D29-P209 WeakPolarHBondContact OD2-CB 3.26Å; F207-P209 VanDerWaalsContact CD2-O 3.3Å; F207-P209 WeakPolarHBondContact CD2-O 3.41Å; P209-E211 VanDerWaalsContact C-N 3.31Å; P209-E211 PolarHBondContact O-N 3.1Å; P209-H262 PolarHBondContact O-NE2 2.87Å; P209-E263 VanDerWaalsContact CD-CD 3.41Å; P209-E263 WeakPolarHBondContact CD-OE1 3.49Å; P209-E263 VanDerWaalsContact CG-CD 3.46Å; P209-E263 HydrophobicContact CG-CG 3.73Å; P209-E263 VanDerWaalsContact CG-OE1 3.3Å; P209-E263 WeakPolarHBondContact CG-OE1 3.48Å
210A97.3Very high97.5Very high17 Ų1734.8 Ų34.814%0.1419%0.189CC..SBendtrans-72.4-23.1-176.200000113.8D29 I212 T232 F240D29-A210 HydrophobicContact CB-CB 4.35Å; D29-A210 WeakPolarHBondContact OD2-CB 3.22Å; D29-A210 PolarHBondContact OD2-N 3Å; A210-I212 PolarHBondContact O-N 3.2Å; A210-T232 HydrophobicContact CB-CG2 4.31Å; A210-F240 HydrophobicContact CB-CD1 3.76Å; A210-F240 HydrophobicContact CB-CD2 3.76Å; A210-F240 HydrophobicContact CB-CE1 3.71Å; A210-F240 HydrophobicContact CB-CE2 3.72Å; A210-F240 HydrophobicContact CB-CG 3.8Å; A210-F240 HydrophobicContact CB-CZ 3.72Å
211E97.2Very high97.4Very high145 Ų14541.7 Ų41.768%0.67822%0.221SC*.  trans-67.7114.1-178.3-17259.5-145.900110.6P209 H262P209-E211 VanDerWaalsContact C-N 3.31Å; P209-E211 PolarHBondContact O-N 3.1Å; E211-H262 PolarHBondContact O-CD2 2.96Å; E211-H262 VanDerWaalsContact O-CD2 3.28Å
212I98Very high97.2Very high10 Ų1043.6 Ų43.65%0.05124%0.235CC..  trans-150142.7-178.8-163.5170.9000109.9P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.02Å; P184-I212 HydrophobicContact CG-CD1 4.12Å; A204-I212 HydrophobicContact CB-CD1 3.69Å; F207-I212 HydrophobicContact CD1-CD1 3.9Å; F207-I212 HydrophobicContact CD2-CB 4.27Å; F207-I212 HydrophobicContact CD2-CD1 3.98Å; F207-I212 HydrophobicContact CE1-CD1 3.82Å; F207-I212 HydrophobicContact CE1-CG2 4.43Å; F207-I212 HydrophobicContact CE2-CB 3.74Å; F207-I212 HydrophobicContact CE2-CD1 3.92Å; F207-I212 HydrophobicContact CE2-CG1 4.42Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 3.99Å; F207-I212 HydrophobicContact CZ-CB 4.12Å; F207-I212 HydrophobicContact CZ-CD1 3.86Å; F207-I212 HydrophobicContact CZ-CG2 3.53Å; A210-I212 PolarHBondContact O-N 3.2Å; I212-L214 HydrophobicContact CB-CD1 4.46Å; I212-L214 HydrophobicContact CD1-CD1 3.66Å; I212-L214 HydrophobicContact CG1-CD1 3.64Å; I212-L214 HydrophobicContact CG2-CD1 4.08Å; I212-K242 HydrophobicContact CG2-CB 4.25Å; I212-K242 HydrophobicContact CG2-CD 3.6Å; I212-V260 HydrophobicContact CD1-CG1 3.97Å; I212-V260 HydrophobicContact CG1-CG1 4.3Å; I212-Q261 VanDerWaalsContact CG1-O 3.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.22Å; I212-H262 HydrophobicContact CD1-CB 4.32Å; I212-H262 HydrophobicContact CG1-CB 4.07Å
213T97.9Very high97.1Very high58 Ų5845 Ų4536%0.35624%0.242SC..EExtended strand (participates in β ladder)trans-113.6122.8174-61.70000110.2T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4.04Å; T213-V260 WeakPolarHBondContact O-CA 3.48Å; T213-Q261 PolarHBondContact N-O 2.63Å; T213-Q261 PolarHBondContact O-N 3.44Å
214L98Very high96.6Very high6 Ų647.6 Ų47.63%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-117.4124.2173.1-87.262.9000108.4A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.04Å; A204-L214 HydrophobicContact CB-CD2 4.16Å; I212-L214 HydrophobicContact CB-CD1 4.46Å; I212-L214 HydrophobicContact CD1-CD1 3.66Å; I212-L214 HydrophobicContact CG1-CD1 3.64Å; I212-L214 HydrophobicContact CG2-CD1 4.08Å; L214-L229 HydrophobicContact CB-CD1 4.14Å; L214-K242 HydrophobicContact CD1-CD 4.28Å; L214-K242 HydrophobicContact CD2-CB 4.37Å; L214-K242 HydrophobicContact CD2-CG 4.42Å; L214-A244 HydrophobicContact CB-CB 4.04Å; L214-A244 HydrophobicContact CD2-CB 4.32Å; L214-H259 WeakPolarHBondContact CA-O 3.44Å; L214-V260 HydrophobicContact CD1-CG1 4.08Å; L214-V260 HydrophobicContact CG-CG2 4.33Å
215T97.8Very high96.1Very high36 Ų3656.7 Ų56.722%0.22131%0.306CS..EExtended strand (participates in β ladder)trans-134.4146.5178.5510000110.9T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.04Å; T215-C258 CarbonylContact O-C 3.56Å; T215-C258 WeakPolarHBondContact O-CA 3.42Å; T215-H259 PolarHBondContact N-O 2.84Å; T215-H259 PolarHBondContact O-N 3.23Å; T215-H259 WeakPolarHBondContact OG1-CB 3.47Å
216W98.3Very high95.5Very high2 Ų259.6 Ų59.61%0.00832%0.321CS..EExtended strand (participates in β ladder)trans-104.1137.1170-83.4103.4000109.8V188 L200 C202 Q223 A244 V246 T257 C258V188-W216 HydrophobicContact CG1-CH2 3.87Å; V188-W216 HydrophobicContact CG1-CZ2 4.3Å; V188-W216 HydrophobicContact CG2-CH2 4.31Å; L200-W216 HydrophobicContact CB-CH2 3.68Å; L200-W216 HydrophobicContact CB-CZ2 3.8Å; L200-W216 HydrophobicContact CB-CZ3 4.48Å; L200-W216 HydrophobicContact CD1-CH2 4.02Å; L200-W216 HydrophobicContact CD1-CZ3 4.2Å; L200-W216 HydrophobicContact CG-CH2 4.5Å; C202-W216 HydrophobicContact CB-CZ2 3.64Å; W216-Q223 HydrophobicContact CB-CB 4.3Å; W216-Q223 PolarHBondContact O-N 2.87Å; W216-A244 PolarHBondContact NE1-O 3.35Å; W216-V246 HydrophobicContact CB-CG1 3.63Å; W216-V246 HydrophobicContact CB-CG2 4.45Å; W216-V246 HydrophobicContact CD2-CG1 4.26Å; W216-V246 HydrophobicContact CD2-CG2 3.62Å; W216-V246 HydrophobicContact CE3-CG2 3.99Å; W216-V246 HydrophobicContact CG-CB 4.35Å; W216-V246 HydrophobicContact CG-CG1 3.55Å; W216-V246 HydrophobicContact CG-CG2 3.84Å; W216-V246 HydrophobicContact CZ2-CG2 4.27Å; W216-V246 HydrophobicContact CZ3-CG2 4.48Å; W216-T257 VanDerWaalsContact CE3-C 3.42Å; W216-C258 HydrophobicContact CD2-CB 4.12Å; W216-C258 HydrophobicContact CE3-CB 4.09Å; W216-C258 HydrophobicContact CH2-CB 4Å; W216-C258 HydrophobicContact CZ2-CB 4.03Å; W216-C258 HydrophobicContact CZ3-CB 4.03Å
217Q98Very high95.3Very high42 Ų4259.8 Ų59.820%0.19632%0.319CS..EExtended strand (participates in β ladder)trans-122.8145172.1-74-177.8-4.200110.5E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.53Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.38Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.33Å; Q217-D222 PolarHBondContact NE2-OD1 3.29Å; Q217-Y256 CarbonylContact O-C 3.54Å; Q217-Y256 VanDerWaalsContact O-CA 3.27Å; Q217-Y256 WeakPolarHBondContact O-CA 3.22Å; Q217-T257 PolarHBondContact N-O 3.28Å; Q217-T257 PolarHBondContact O-N 2.83Å; Q217-H259 VanDerWaalsContact CD-NE2 3.29Å; Q217-H259 PolarHBondContact OE1-NE2 3.14Å
218R97.3Very high95.3Very high72 Ų7265.3 Ų65.327%0.27235%0.345SS..EExtended strand (participates in β ladder)trans-115.9117.7168.8-177.7-172.2-178.7-179.81.4108.3G220 E221 Q223 E252 R255 Y256R218-G220 PolarHBondContact O-N 2.79Å; R218-E221 PolarHBondContact N-O 2.82Å; R218-E221 PolarHBondContact O-N 2.66Å; R218-Q223 HydrophobicContact CB-CG 4Å; R218-E252 IonicContact CZ-OE2 2.9Å; R218-E252 IonicContact NE-OE2 2.66Å; R218-E252 IonicContact NH2-OE1 2.94Å; R218-E252 IonicContact NH2-OE2 3.66Å; R218-E252 PolarHBondContact NH2-OE2 3.4Å; R218-R255 WeakPolarHBondContact CA-O 3.42Å; R218-R255 HydrophobicContact CG-CB 4.41Å; R218-Y256 HydrophobicContact CB-CD1 4.12Å; R218-Y256 HydrophobicContact CB-CE1 3.92Å; R218-Y256 HydrophobicContact CG-CE1 4.15Å; R218-Y256 HydrophobicContact CG-CE2 4.11Å
219D95.4Very high95.2Very high100 Ų10069.5 Ų69.554%0.53537%0.367SS..THydrogen-bonded Turntrans50.129.2-175.7-52.5-52.8000114.5R255D219-R255 PolarHBondContact N-O 2.84Å; D219-R255 IonicContact OD1-NE 2.71Å; D219-R255 PolarHBondContact OD1-NE 2.91Å; D219-R255 IonicContact OD2-CZ 2.72Å; D219-R255 IonicContact OD2-NE 3.51Å; D219-R255 PolarHBondContact OD2-NE 2.87Å; D219-R255 IonicContact OD2-NH2 3.82Å; D219-R255 PolarHBondContact OD2-NH2 2.86Å
220G92.5Very high95.3Very high49 Ų4970.4 Ų70.451%0.50537%0.372SS..THydrogen-bonded Turntrans93-2.7-177.800000115.5R218R218-G220 PolarHBondContact O-N 2.79Å
221E95.8Very high95.2Very high145 Ų14577.8 Ų77.868%0.67840%0.404SS*.EExtended strand (participates in β ladder)trans-98.1127.7176.9-63.1-173.3168.100112Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.53Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.38Å; R218-E221 PolarHBondContact N-O 2.82Å; R218-E221 PolarHBondContact O-N 2.66Å; E221-Q223 PolarHBondContact O-NE2 2.81Å
222D95.6Very high95.3Very high94 Ų9473.1 Ų73.150%0.50339%0.385SS..EExtended strand (participates in β ladder)trans-62.5134.9-179.4-69.4-18.8000112.5Q217Q217-D222 WeakPolarHBondContact CG-OD1 3.33Å; Q217-D222 PolarHBondContact NE2-OD1 3.29Å
223Q95.1Very high95.3Very high29 Ų2977.2 Ų77.214%0.13640%0.4CS..  trans-105.836.7-176.9-58-60.6-68.100112.5W216 R218 E221 Q225 D226 T227 V246 Y256W216-Q223 HydrophobicContact CB-CB 4.3Å; W216-Q223 PolarHBondContact O-N 2.87Å; R218-Q223 HydrophobicContact CB-CG 4Å; E221-Q223 PolarHBondContact O-NE2 2.81Å; Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 2.79Å; Q223-D226 PolarHBondContact O-N 2.81Å; Q223-T227 WeakPolarHBondContact O-CB 3.36Å; Q223-T227 PolarHBondContact O-N 2.72Å; Q223-T227 VanDerWaalsContact O-N 3.08Å; Q223-T227 PolarHBondContact O-OG1 3.04Å; Q223-V246 HydrophobicContact CB-CG1 4.46Å; Q223-Y256 HydrophobicContact CG-CE1 4.37Å
224T87.6Confident95.2Very high102 Ų10278.9 Ų78.963%0.62641%0.412SS*.THydrogen-bonded Turntrans-58.6-34.8-168.6-49.30000114.3
225Q87.9Confident95.2Very high191 Ų19181 Ų8189%0.89343%0.43SS*.THydrogen-bonded Turntrans-76.6-31-179.4-66.5-173.25.900113.2Q223Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 2.79Å
226D86.4Confident95Very high116 Ų11682.9 Ų82.962%0.6246%0.457SS*.THydrogen-bonded Turntrans-94.91.1-177.8-57.5-51.3000112.3Q223Q223-D226 PolarHBondContact O-N 2.81Å
227T94.1Very high94.7Very high24 Ų2488.2 Ų88.215%0.14749%0.485CS..EExtended strand (participates in β ladder)trans-94.5120.4179.8-61.70000110.8Q223 L229 A244 A245 V246Q223-T227 WeakPolarHBondContact O-CB 3.36Å; Q223-T227 PolarHBondContact O-N 2.72Å; Q223-T227 VanDerWaalsContact O-N 3.08Å; Q223-T227 PolarHBondContact O-OG1 3.04Å; T227-L229 HydrophobicContact CG2-CB 4.44Å; T227-L229 PolarHBondContact O-N 3.07Å; T227-A244 HydrophobicContact CG2-CB 3.93Å; T227-A245 CarbonylContact C-O 3.57Å; T227-A245 WeakPolarHBondContact CA-O 3.11Å; T227-V246 HydrophobicContact CG2-CG1 4.31Å; T227-V246 VanDerWaalsContact OG1-CG1 3.23Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.06Å
228E96.5Very high94.4Very high116 Ų11688.2 Ų88.254%0.54250%0.497SS..EExtended strand (participates in β ladder)trans-76.7107.1163.2-173.5-174.4-173.300108.9W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.23Å; E228-W243 HydrophobicContact CG-CH2 3.9Å; E228-W243 HydrophobicContact CG-CZ3 3.86Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.47Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.48Å; E228-A244 CarbonylContact O-C 3.52Å; E228-A244 WeakPolarHBondContact O-CA 3.39Å; E228-A245 HydrophobicContact CB-CB 4.43Å; E228-A245 PolarHBondContact N-O 3.46Å; E228-A245 PolarHBondContact O-N 2.94Å
229L96.9Very high94.4Very high91 Ų9185.1 Ų85.148%0.47649%0.486SS..EExtended strand (participates in β ladder)trans-111.8119.2178.6-173.668.5000110L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.14Å; T227-L229 HydrophobicContact CG2-CB 4.44Å; T227-L229 PolarHBondContact O-N 3.07Å; L229-K242 HydrophobicContact CD1-CD 4.47Å; L229-A244 HydrophobicContact CD1-CB 3.61Å
230V96.9Very high94.5Very high33 Ų3381.7 Ų81.720%0.247%0.466CS..PPolyproline II helixtrans-83.7153.9175.2-64.50000112.3K242 W243V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 VanDerWaalsContact O-CE 3.31Å; V230-K242 WeakPolarHBondContact O-CE 3.46Å; V230-K242 WeakPolarHBondContact O-CG 3.38Å; V230-K242 PolarHBondContact O-NZ 3.37Å; V230-W243 HydrophobicContact CB-CD2 4.49Å; V230-W243 HydrophobicContact CB-CZ2 4.4Å; V230-W243 HydrophobicContact CG1-CD2 3.96Å; V230-W243 HydrophobicContact CG1-CE3 4.29Å; V230-W243 HydrophobicContact CG1-CH2 3.59Å; V230-W243 HydrophobicContact CG1-CZ2 3.17Å; V230-W243 HydrophobicContact CG1-CZ3 4.11Å; V230-W243 HydrophobicContact CG2-CD2 3.76Å; V230-W243 HydrophobicContact CG2-CE3 4.49Å; V230-W243 HydrophobicContact CG2-CG 3.72Å; V230-W243 HydrophobicContact CG2-CZ2 4.41Å; V230-W243 WeakPolarHBondContact CG2-O 3.45Å; V230-W243 PolarHBondContact N-O 2.94Å
231E96.9Very high94.8Very high173 Ų17381.4 Ų81.481%0.80845%0.452SS*.PPolyproline II helixtrans-58.3148167.6-67.8-174.7171.900111.2R233E231-R233 PolarHBondContact O-N 2.04Å
232T98Very high94.9Very high46 Ų4675.5 Ų75.528%0.28242%0.424SS..PPolyproline II helixtrans-67.4130.1173.9-56.20000108.5F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.08Å; F207-T232 HydrophobicContact CZ-CG2 3.89Å; A210-T232 HydrophobicContact CB-CG2 4.31Å; T232-F240 HydrophobicContact CG2-CB 3.77Å; T232-F240 HydrophobicContact CG2-CD1 3.92Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; T232-K242 WeakPolarHBondContact OG1-CD 3.45Å; T232-K242 PolarHBondContact OG1-NZ 3.44Å
233R97.5Very high95.1Very high96 Ų9672.2 Ų72.236%0.36241%0.405SS..EExtended strand (participates in β ladder)trans-126.9145.8-174.869.2-167.5-178.9-162.90.6111.5E231 F240 Q241E231-R233 PolarHBondContact O-N 2.04Å; R233-F240 WeakPolarHBondContact O-CA 3.38Å; R233-Q241 HydrophobicContact CG-CG 3.6Å; R233-Q241 PolarHBondContact N-O 2.92Å; R233-Q241 WeakPolarHBondContact O-CG 3.36Å; R233-Q241 PolarHBondContact O-N 2.94Å
234P97.3Very high95.2Very high94 Ų9470.8 Ų70.861%0.6140%0.398SS*.EExtended strand (participates in β ladder)trans-68.7144.7178.428.6-34.6000111.3F240P234-F240 HydrophobicContact CB-CE1 4.35Å
235A96.6Very high95.7Very high49 Ų4966.1 Ų66.141%0.40537%0.37SS..  trans-87.2-19.2172.500000112.8D237 T239A235-D237 WeakPolarHBondContact CB-OD1 3.46Å; A235-T239 WeakPolarHBondContact CB-O 3.36Å; A235-T239 PolarHBondContact N-O 2.91Å
236G93.5Very high96.2Very high77 Ų7757.2 Ų57.279%0.79433%0.328SS*.SBendtrans97.6-7.3178.700000114.8
237D92.8Very high96.7Very high113 Ų11355.5 Ų55.560%0.60432%0.322SS*.SBendtrans-103.810.7175.960.31.8000113.1A235 T239A235-D237 WeakPolarHBondContact CB-OD1 3.46Å; D237-T239 WeakPolarHBondContact OD1-CB 3.21Å; D237-T239 PolarHBondContact OD1-N 2.75Å; D237-T239 PolarHBondContact OD1-OG1 3.19Å
238G91.9Very high96.8Very high43 Ų4354.4 Ų54.444%0.44332%0.315SS..SBendtrans92.9-5.7-173.800000114.1Y208Y208-G238 WeakPolarHBondContact CD2-O 3.46Å
239T96.8Very high96.8Very high7 Ų751.1 Ų51.14%0.04330%0.304CS..  trans-101.5173.1175.373.80000112.5F207 A235 D237F207-T239 CarbonylContact O-C 3.55Å; F207-T239 WeakPolarHBondContact O-CA 3.39Å; A235-T239 WeakPolarHBondContact CB-O 3.36Å; A235-T239 PolarHBondContact N-O 2.91Å; D237-T239 WeakPolarHBondContact OD1-CB 3.21Å; D237-T239 PolarHBondContact OD1-N 2.75Å; D237-T239 PolarHBondContact OD1-OG1 3.19Å
240F98.3Very high96.6Very high27 Ų2749.4 Ų49.412%0.11830%0.3CS..EExtended strand (participates in β ladder)trans-120.7163.1-177.6-63.9-86000112.4D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.79Å; D29-F240 HydrophobicContact CB-CZ 3.72Å; G206-F240 PolarHBondContact N-O 3.17Å; F207-F240 WeakPolarHBondContact CD1-O 3.25Å; F207-F240 HydrophobicContact CD2-CB 3.96Å; F207-F240 HydrophobicContact CE1-CB 4.27Å; F207-F240 WeakPolarHBondContact CE1-O 3.49Å; F207-F240 HydrophobicContact CE2-CB 3.5Å; F207-F240 VanDerWaalsContact CE2-CB 3.5Å; F207-F240 HydrophobicContact CE2-CG 4.49Å; F207-F240 HydrophobicContact CG-CB 4.49Å; F207-F240 HydrophobicContact CZ-CB 3.65Å; F207-F240 PolarHBondContact N-O 3.38Å; F207-F240 PolarHBondContact O-N 2.9Å; Y208-F240 HydrophobicContact CD2-CD2 4.41Å; Y208-F240 AromaticContact CD2-CE2 3.94Å; Y208-F240 HydrophobicContact CD2-CE2 3.94Å; Y208-F240 HydrophobicContact CE2-CE2 4.38Å; A210-F240 HydrophobicContact CB-CD1 3.76Å; A210-F240 HydrophobicContact CB-CD2 3.76Å; A210-F240 HydrophobicContact CB-CE1 3.71Å; A210-F240 HydrophobicContact CB-CE2 3.72Å; A210-F240 HydrophobicContact CB-CG 3.8Å; A210-F240 HydrophobicContact CB-CZ 3.72Å; T232-F240 HydrophobicContact CG2-CB 3.77Å; T232-F240 HydrophobicContact CG2-CD1 3.92Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; R233-F240 WeakPolarHBondContact O-CA 3.38Å; P234-F240 HydrophobicContact CB-CE1 4.35Å
241Q98.3Very high96.3Very high44 Ų4451 Ų5121%0.20632%0.322CS..EExtended strand (participates in β ladder)trans-141.6146174.441.4165.7-21.400110.3A204 L205 R233A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 3.36Å; L205-Q241 HydrophobicContact CD2-CB 3.55Å; R233-Q241 HydrophobicContact CG-CG 3.6Å; R233-Q241 PolarHBondContact N-O 2.92Å; R233-Q241 WeakPolarHBondContact O-CG 3.36Å; R233-Q241 PolarHBondContact O-N 2.94Å
242K98.6Very high96.3Very high21 Ų2145.2 Ų45.29%0.09130%0.295CS..EExtended strand (participates in β ladder)trans-150.9154.7177.1-162.9-175.6-172.670.30109.1A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 3.01Å; A204-K242 PolarHBondContact O-N 3.07Å; A204-K242 VanDerWaalsContact O-O 3.08Å; F207-K242 HydrophobicContact CE1-CB 4.39Å; F207-K242 HydrophobicContact CZ-CB 4.13Å; I212-K242 HydrophobicContact CG2-CB 4.25Å; I212-K242 HydrophobicContact CG2-CD 3.6Å; L214-K242 HydrophobicContact CD1-CD 4.28Å; L214-K242 HydrophobicContact CD2-CB 4.37Å; L214-K242 HydrophobicContact CD2-CG 4.42Å; L229-K242 HydrophobicContact CD1-CD 4.47Å; V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 VanDerWaalsContact O-CE 3.31Å; V230-K242 WeakPolarHBondContact O-CE 3.46Å; V230-K242 WeakPolarHBondContact O-CG 3.38Å; V230-K242 PolarHBondContact O-NZ 3.37Å; T232-K242 WeakPolarHBondContact OG1-CD 3.45Å; T232-K242 PolarHBondContact OG1-NZ 3.44Å
243W98.3Very high96.1Very high24 Ų2444 Ų449%0.09129%0.286CS..EExtended strand (participates in β ladder)trans-143.6157169.359.5-98.3000111.6R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 4Å; R201-W243 HydrophobicContact CG-CD2 4.09Å; R201-W243 HydrophobicContact CG-CE3 3.86Å; R201-W243 HydrophobicContact CG-CG 4.21Å; C202-W243 CarbonylContact O-C 3.59Å; C202-W243 WeakPolarHBondContact O-CA 3.3Å; C202-W243 WeakPolarHBondContact O-CB 3.45Å; W203-W243 HydrophobicContact CD2-CB 3.96Å; W203-W243 HydrophobicContact CD2-CG 4.46Å; W203-W243 HydrophobicContact CE3-CB 3.86Å; W203-W243 AromaticContact CE3-CD1 3.87Å; W203-W243 HydrophobicContact CE3-CG 4.17Å; W203-W243 HydrophobicContact CG-CB 4.39Å; W203-W243 AromaticContact CH2-CD1 3.65Å; W203-W243 HydrophobicContact CH2-CG 4.27Å; W203-W243 HydrophobicContact CZ3-CB 4.29Å; W203-W243 AromaticContact CZ3-CD1 3.41Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.41Å; W203-W243 HydrophobicContact CZ3-CG 4.09Å; E228-W243 HydrophobicContact CB-CZ3 4.23Å; E228-W243 HydrophobicContact CG-CH2 3.9Å; E228-W243 HydrophobicContact CG-CZ3 3.86Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.47Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.48Å; V230-W243 HydrophobicContact CB-CD2 4.49Å; V230-W243 HydrophobicContact CB-CZ2 4.4Å; V230-W243 HydrophobicContact CG1-CD2 3.96Å; V230-W243 HydrophobicContact CG1-CE3 4.29Å; V230-W243 HydrophobicContact CG1-CH2 3.59Å; V230-W243 HydrophobicContact CG1-CZ2 3.17Å; V230-W243 HydrophobicContact CG1-CZ3 4.11Å; V230-W243 HydrophobicContact CG2-CD2 3.76Å; V230-W243 HydrophobicContact CG2-CE3 4.49Å; V230-W243 HydrophobicContact CG2-CG 3.72Å; V230-W243 HydrophobicContact CG2-CZ2 4.41Å; V230-W243 WeakPolarHBondContact CG2-O 3.45Å; V230-W243 PolarHBondContact N-O 2.94Å; W243-A245 HydrophobicContact CE3-CB 3.94Å; W243-A245 HydrophobicContact CZ3-CB 3.63Å
244A98.3Very high96Very high0 Ų043.8 Ų43.80%029%0.29CS..EExtended strand (participates in β ladder)trans-129.9132.5174.300000108.7R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.04Å; C202-A244 PolarHBondContact N-O 3.07Å; C202-A244 PolarHBondContact O-N 2.99Å; L214-A244 HydrophobicContact CB-CB 4.04Å; L214-A244 HydrophobicContact CD2-CB 4.32Å; W216-A244 PolarHBondContact NE1-O 3.35Å; T227-A244 HydrophobicContact CG2-CB 3.93Å; E228-A244 CarbonylContact O-C 3.52Å; E228-A244 WeakPolarHBondContact O-CA 3.39Å; L229-A244 HydrophobicContact CD1-CB 3.61Å
245A98Very high96Very high3 Ų344 Ų443%0.02528%0.278CS..EExtended strand (participates in β ladder)trans-125.7144.8-179.600000112.3T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.91Å; L200-A245 CarbonylContact O-C 3.58Å; L200-A245 WeakPolarHBondContact O-CA 3.1Å; R201-A245 HydrophobicContact CB-CB 4Å; R201-A245 HydrophobicContact CG-CB 4.15Å; T227-A245 CarbonylContact C-O 3.57Å; T227-A245 WeakPolarHBondContact CA-O 3.11Å; E228-A245 HydrophobicContact CB-CB 4.43Å; E228-A245 PolarHBondContact N-O 3.46Å; E228-A245 PolarHBondContact O-N 2.94Å; W243-A245 HydrophobicContact CE3-CB 3.94Å; W243-A245 HydrophobicContact CZ3-CB 3.63Å
246V97.8Very high96Very high4 Ų442.1 Ų42.12%0.02426%0.261CS..EExtended strand (participates in β ladder)trans-131.7144.5174.5-71.40000109.5T199 L200 W216 Q223 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.43Å; L200-V246 HydrophobicContact CB-CG2 4.18Å; L200-V246 PolarHBondContact N-O 3.35Å; L200-V246 PolarHBondContact O-N 3.31Å; W216-V246 HydrophobicContact CB-CG1 3.63Å; W216-V246 HydrophobicContact CB-CG2 4.45Å; W216-V246 HydrophobicContact CD2-CG1 4.26Å; W216-V246 HydrophobicContact CD2-CG2 3.62Å; W216-V246 HydrophobicContact CE3-CG2 3.99Å; W216-V246 HydrophobicContact CG-CB 4.35Å; W216-V246 HydrophobicContact CG-CG1 3.55Å; W216-V246 HydrophobicContact CG-CG2 3.84Å; W216-V246 HydrophobicContact CZ2-CG2 4.27Å; W216-V246 HydrophobicContact CZ3-CG2 4.48Å; Q223-V246 HydrophobicContact CB-CG1 4.46Å; T227-V246 HydrophobicContact CG2-CG1 4.31Å; T227-V246 VanDerWaalsContact OG1-CG1 3.23Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.06Å; V246-V248 HydrophobicContact CB-CG1 4.42Å; V246-V248 HydrophobicContact CG2-CG1 3.77Å; V246-Y256 HydrophobicContact CG2-CD1 4.04Å; V246-Y256 HydrophobicContact CG2-CE1 4.47Å
247V97.2Very high96.2Very high80 Ų8039 Ų3949%0.48523%0.227SC..EExtended strand (participates in β ladder)trans-86.1129.2168.4-178.10000107.9E197E197-V247 HydrophobicContact CB-CG1 4.08Å; E197-V247 HydrophobicContact CG-CG1 4.3Å
248V96.4Very high96.5Very high1 Ų133.7 Ų33.71%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-127.9144.1-176.2-52.50000110.4E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.14Å; A198-V248 HydrophobicContact CB-CG2 4.47Å; A198-V248 PolarHBondContact N-O 3.21Å; A198-V248 WeakPolarHBondContact O-CG2 3.3Å; A198-V248 PolarHBondContact O-N 3.36Å; L200-V248 HydrophobicContact CD1-CG1 4.03Å; L200-V248 HydrophobicContact CD1-CG2 4.06Å; L200-V248 HydrophobicContact CG-CG1 4.19Å; L200-V248 HydrophobicContact CG-CG2 3.85Å; V246-V248 HydrophobicContact CB-CG1 4.42Å; V246-V248 HydrophobicContact CG2-CG1 3.77Å; V248-E253 HydrophobicContact CG2-CG 3.9Å; V248-Y256 HydrophobicContact CB-CD2 4.02Å; V248-Y256 HydrophobicContact CB-CE2 3.73Å; V248-Y256 HydrophobicContact CG1-CD1 3.7Å; V248-Y256 HydrophobicContact CG1-CD2 3.61Å; V248-Y256 HydrophobicContact CG1-CE1 3.64Å; V248-Y256 HydrophobicContact CG1-CE2 3.58Å; V248-Y256 HydrophobicContact CG1-CG 3.67Å
249P96.1Very high96.8Very high47 Ų4733.2 Ų33.231%0.30518%0.184SC..EExtended strand (participates in β ladder)trans-62.3140.5170.4-20.432.3000111.2H196 G251 E252H196-P249 CarbonylContact O-C 3.6Å; H196-P249 WeakPolarHBondContact O-CA 3.05Å; P249-G251 PolarHBondContact O-N 3.43Å; P249-E252 HydrophobicContact CB-CB 4.3Å; P249-E252 HydrophobicContact CB-CG 4.13Å; P249-E252 WeakPolarHBondContact O-CB 3.25Å; P249-E252 PolarHBondContact O-N 2.75Å
250S92.8Very high96.8Very high56 Ų5632.9 Ų32.939%0.39218%0.182SC..THydrogen-bonded Turntrans-59.3129.2176.4-63.10000111.2H196 E197 E252 E253H196-S250 PolarHBondContact O-N 2.84Å; H196-S250 PolarHBondContact O-OG 3.27Å; E197-S250 PolarHBondContact N-OG 2.88Å; S250-E252 VanDerWaalsContact C-N 3.35Å; S250-E253 WeakPolarHBondContact CA-OE1 3.46Å
251G91.6Very high96.8Very high65 Ų6536.6 Ų36.667%0.6720%0.2SC*.THydrogen-bonded Turntrans89.3-8.6-176.100000114.8P249 E253P249-G251 PolarHBondContact O-N 3.43Å; G251-E253 WeakPolarHBondContact CA-OE2 3.37Å; G251-E253 VanDerWaalsContact N-CD 3.29Å; G251-E253 PolarHBondContact N-OE1 2.91Å; G251-E253 PolarHBondContact N-OE2 3.18Å
252E95.3Very high96.8Very high53 Ų5335.2 Ų35.225%0.24819%0.193CC..  trans-98.13.2175.1-66.1-159.8-156.100113.5R218 P249 S250 Q254 R255 Y256R218-E252 IonicContact CZ-OE2 2.9Å; R218-E252 IonicContact NE-OE2 2.66Å; R218-E252 IonicContact NH2-OE1 2.94Å; R218-E252 IonicContact NH2-OE2 3.66Å; R218-E252 PolarHBondContact NH2-OE2 3.4Å; P249-E252 HydrophobicContact CB-CB 4.3Å; P249-E252 HydrophobicContact CB-CG 4.13Å; P249-E252 WeakPolarHBondContact O-CB 3.25Å; P249-E252 PolarHBondContact O-N 2.75Å; S250-E252 VanDerWaalsContact C-N 3.35Å; E252-Q254 PolarHBondContact O-N 3.43Å; E252-R255 WeakPolarHBondContact O-CB 3.46Å; E252-R255 PolarHBondContact O-N 2.73Å; E252-R255 IonicContact OE1-NH1 3.18Å; E252-R255 IonicContact OE2-CZ 3.04Å; E252-R255 IonicContact OE2-NE 3.37Å; E252-R255 IonicContact OE2-NH1 3.56Å; E252-R255 PolarHBondContact OE2-NH1 2.97Å; E252-Y256 HydrophobicContact CB-CE2 4.38Å; E252-Y256 WeakPolarHBondContact O-CD2 3.37Å
253E94.9Very high96.7Very high20 Ų2040.6 Ų40.69%0.09322%0.219CC..G310 helixtrans-57.1-32.7-170.9-57.881.9179.900112.7H190 L200 V248 S250 G251 R255 Y256 W273H190-E253 IonicContact NE2-OE1 3.52Å; L200-E253 HydrophobicContact CD1-CB 4.12Å; L200-E253 HydrophobicContact CD2-CG 4.36Å; V248-E253 HydrophobicContact CG2-CG 3.9Å; S250-E253 WeakPolarHBondContact CA-OE1 3.46Å; G251-E253 WeakPolarHBondContact CA-OE2 3.37Å; G251-E253 VanDerWaalsContact N-CD 3.29Å; G251-E253 PolarHBondContact N-OE1 2.91Å; G251-E253 PolarHBondContact N-OE2 3.18Å; E253-R255 VanDerWaalsContact C-N 3.27Å; E253-R255 PolarHBondContact O-N 3.39Å; E253-Y256 PolarHBondContact O-N 3.41Å; E253-W273 HydrophobicContact CB-CD2 4.44Å; E253-W273 HydrophobicContact CB-CE3 3.4Å; E253-W273 VanDerWaalsContact CB-CE3 3.4Å; E253-W273 HydrophobicContact CB-CZ3 3.78Å; E253-W273 HydrophobicContact CG-CE3 3.73Å; E253-W273 HydrophobicContact CG-CZ3 3.73Å
254Q95.2Very high96.4Very high92 Ų9240 Ų4043%0.4322%0.22SC..G310 helixtrans-73.3-15.5-179.4-63.3-57.5-46.700114.1E252 W273E252-Q254 PolarHBondContact O-N 3.43Å; Q254-W273 PolarHBondContact NE2-O 2.95Å
255R96.6Very high96.3Very high99 Ų9941.1 Ų41.137%0.37423%0.226SC..G310 helixtrans-76.6-17172.9-63.3174.868.1178.46.7112R218 D219 E252 E253R218-R255 WeakPolarHBondContact CA-O 3.42Å; R218-R255 HydrophobicContact CG-CB 4.41Å; D219-R255 PolarHBondContact N-O 2.84Å; D219-R255 IonicContact OD1-NE 2.71Å; D219-R255 PolarHBondContact OD1-NE 2.91Å; D219-R255 IonicContact OD2-CZ 2.72Å; D219-R255 IonicContact OD2-NE 3.51Å; D219-R255 PolarHBondContact OD2-NE 2.87Å; D219-R255 IonicContact OD2-NH2 3.82Å; D219-R255 PolarHBondContact OD2-NH2 2.86Å; E252-R255 WeakPolarHBondContact O-CB 3.46Å; E252-R255 PolarHBondContact O-N 2.73Å; E252-R255 IonicContact OE1-NH1 3.18Å; E252-R255 IonicContact OE2-CZ 3.04Å; E252-R255 IonicContact OE2-NE 3.37Å; E252-R255 IonicContact OE2-NH1 3.56Å; E252-R255 PolarHBondContact OE2-NH1 2.97Å; E253-R255 VanDerWaalsContact C-N 3.27Å; E253-R255 PolarHBondContact O-N 3.39Å
256Y97.6Very high96.2Very high9 Ų946.7 Ų46.74%0.03526%0.262CS..EExtended strand (participates in β ladder)trans-96131.1-177.9-69.2-100.5000111.1Q217 R218 Q223 V246 V248 E252 E253Q217-Y256 CarbonylContact O-C 3.54Å; Q217-Y256 VanDerWaalsContact O-CA 3.27Å; Q217-Y256 WeakPolarHBondContact O-CA 3.22Å; R218-Y256 HydrophobicContact CB-CD1 4.12Å; R218-Y256 HydrophobicContact CB-CE1 3.92Å; R218-Y256 HydrophobicContact CG-CE1 4.15Å; R218-Y256 HydrophobicContact CG-CE2 4.11Å; Q223-Y256 HydrophobicContact CG-CE1 4.37Å; V246-Y256 HydrophobicContact CG2-CD1 4.04Å; V246-Y256 HydrophobicContact CG2-CE1 4.47Å; V248-Y256 HydrophobicContact CB-CD2 4.02Å; V248-Y256 HydrophobicContact CB-CE2 3.73Å; V248-Y256 HydrophobicContact CG1-CD1 3.7Å; V248-Y256 HydrophobicContact CG1-CD2 3.61Å; V248-Y256 HydrophobicContact CG1-CE1 3.64Å; V248-Y256 HydrophobicContact CG1-CE2 3.58Å; V248-Y256 HydrophobicContact CG1-CG 3.67Å; E252-Y256 HydrophobicContact CB-CE2 4.38Å; E252-Y256 WeakPolarHBondContact O-CD2 3.37Å; E253-Y256 PolarHBondContact O-N 3.41Å
257T98Very high96.1Very high12 Ų1253.8 Ų53.87%0.07430%0.295CS..EExtended strand (participates in β ladder)trans-127.6130.7176.848.80000110.2W216 Q217 H259 T270 L271 R272W216-T257 VanDerWaalsContact CE3-C 3.42Å; Q217-T257 PolarHBondContact N-O 3.28Å; Q217-T257 PolarHBondContact O-N 2.83Å; T257-H259 PolarHBondContact OG1-NE2 3.43Å; T257-T270 HydrophobicContact CG2-CG2 3.93Å; T257-L271 CarbonylContact C-O 3.55Å; T257-L271 WeakPolarHBondContact CA-O 3.41Å; T257-R272 HydrophobicContact CG2-CG 3.61Å; T257-R272 VanDerWaalsContact CG2-NE 3.26Å
258C98.2Very high96.1Very high0 Ų053.8 Ų53.80%030%0.296CS..EExtended strand (participates in β ladder)trans-89.8130.2169.9175.10000109.7C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.52Å; C202-C258 WeakPolarHBondContact CB-SG 3.4Å; C202-C258 WeakPolarHBondContact SG-CB 3.38Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 2.79Å; T215-C258 CarbonylContact O-C 3.56Å; T215-C258 WeakPolarHBondContact O-CA 3.42Å; W216-C258 HydrophobicContact CD2-CB 4.12Å; W216-C258 HydrophobicContact CE3-CB 4.09Å; W216-C258 HydrophobicContact CH2-CB 4Å; W216-C258 HydrophobicContact CZ2-CB 4.03Å; W216-C258 HydrophobicContact CZ3-CB 4.03Å; C258-T270 CarbonylContact O-C 3.54Å; C258-T270 WeakPolarHBondContact O-CA 3.31Å; C258-L271 HydrophobicContact CB-CB 4.32Å; C258-L271 PolarHBondContact N-O 3.16Å; C258-L271 PolarHBondContact O-N 3.2Å
259H98.1Very high96.1Very high33 Ų3356.5 Ų56.515%0.15331%0.311CS..EExtended strand (participates in β ladder)trans-109.5131.6174.9-64.5-97000110.6L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.44Å; T215-H259 PolarHBondContact N-O 2.84Å; T215-H259 PolarHBondContact O-N 3.23Å; T215-H259 WeakPolarHBondContact OG1-CB 3.47Å; Q217-H259 VanDerWaalsContact CD-NE2 3.29Å; Q217-H259 PolarHBondContact OE1-NE2 3.14Å; T257-H259 PolarHBondContact OG1-NE2 3.43Å; H259-L269 CarbonylContact C-O 3.51Å; H259-L269 VanDerWaalsContact CA-O 3.29Å; H259-L269 WeakPolarHBondContact CA-O 3.18Å; H259-T270 PolarHBondContact CE1-OG1 3.37Å; H259-T270 PolarHBondContact ND1-OG1 3.07Å; H259-T270 VanDerWaalsContact ND1-OG1 3.08Å
260V98.3Very high96.2Very high0 Ų058.2 Ų58.20%032%0.32CS..EExtended strand (participates in β ladder)trans-123.5120.5-177.6-174.30000109.3P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.96Å; T186-V260 HydrophobicContact CG2-CB 4.48Å; T186-V260 HydrophobicContact CG2-CG1 4.19Å; T186-V260 HydrophobicContact CG2-CG2 4.09Å; I212-V260 HydrophobicContact CD1-CG1 3.97Å; I212-V260 HydrophobicContact CG1-CG1 4.3Å; T213-V260 WeakPolarHBondContact O-CA 3.48Å; L214-V260 HydrophobicContact CD1-CG1 4.08Å; L214-V260 HydrophobicContact CG-CG2 4.33Å; V260-L265 HydrophobicContact CG1-CD1 4.22Å; V260-P268 WeakPolarHBondContact O-CA 3.31Å; V260-L269 HydrophobicContact CB-CB 4.36Å; V260-L269 PolarHBondContact N-O 3.27Å; V260-L269 PolarHBondContact O-N 3.19Å; V260-L271 HydrophobicContact CG2-CD1 4.02Å
261Q98.2Very high96.4Very high105 Ų10557.3 Ų57.349%0.49131%0.311SS..EExtended strand (participates in β ladder)trans-116.7130.5173.4-56.8178.916.200109.4I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.22Å; T213-Q261 PolarHBondContact N-O 2.63Å; T213-Q261 PolarHBondContact O-N 3.44Å; Q261-P268 HydrophobicContact CG-CB 4Å; Q261-P268 HydrophobicContact CG-CG 4.1Å
262H97.9Very high96.6Very high15 Ų1561 Ų617%0.06931%0.305CS..  trans-155.2143.3-178.8-176.5-99000108.4E182 P184 F207 Y208 P209 E211 I212 G264 L265E182-H262 PolarHBondContact O-CE1 2.9Å; P184-H262 HydrophobicContact CG-CB 4.16Å; F207-H262 AromaticContact CD2-CD2 3.79Å; F207-H262 AromaticContact CD2-NE2 3.64Å; Y208-H262 PolarHBondContact O-CE1 3.32Å; P209-H262 PolarHBondContact O-NE2 2.87Å; E211-H262 PolarHBondContact O-CD2 2.96Å; E211-H262 VanDerWaalsContact O-CD2 3.28Å; I212-H262 HydrophobicContact CD1-CB 4.32Å; I212-H262 HydrophobicContact CG1-CB 4.07Å; H262-G264 PolarHBondContact ND1-N 3.4Å; H262-G264 PolarHBondContact O-N 3.05Å; H262-G264 VanDerWaalsContact O-N 3.15Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.2Å; H262-L265 WeakPolarHBondContact O-CB 3.27Å; H262-L265 PolarHBondContact O-N 3.37Å
263E95Very high96.6Very high134 Ų13460.7 Ų60.763%0.62630%0.301SS*.THydrogen-bonded Turntrans-61.9-26.9-176.663.7156.8-147.500113.9A181 P209 L265A181-E263 HydrophobicContact CB-CG 4.37Å; P209-E263 VanDerWaalsContact CD-CD 3.41Å; P209-E263 WeakPolarHBondContact CD-OE1 3.49Å; P209-E263 VanDerWaalsContact CG-CD 3.46Å; P209-E263 HydrophobicContact CG-CG 3.73Å; P209-E263 VanDerWaalsContact CG-OE1 3.3Å; P209-E263 WeakPolarHBondContact CG-OE1 3.48Å; E263-L265 VanDerWaalsContact C-N 3.29Å; E263-L265 PolarHBondContact O-N 3.2Å
264G93.6Very high96.4Very high12 Ų1267.5 Ų67.512%0.12433%0.333CS..THydrogen-bonded Turntrans-61.4-41.2172.700000110.8H183 H262H183-G264 PolarHBondContact CE1-O 3.07Å; H183-G264 PolarHBondContact ND1-O 3.31Å; H262-G264 PolarHBondContact ND1-N 3.4Å; H262-G264 PolarHBondContact O-N 3.05Å; H262-G264 VanDerWaalsContact O-N 3.15Å
265L96.4Very high95.7Very high23 Ų2367 Ų6712%0.1234%0.337CS..  trans-71.2129.7-173.7-65.4168000111.7H183 P184 V260 H262 E263 E267 L269H183-L265 HydrophobicContact CB-CD2 4.11Å; H183-L265 PolarHBondContact ND1-N 3.06Å; P184-L265 HydrophobicContact CG-CD1 3.87Å; P184-L265 HydrophobicContact CG-CG 4.25Å; V260-L265 HydrophobicContact CG1-CD1 4.22Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.2Å; H262-L265 WeakPolarHBondContact O-CB 3.27Å; H262-L265 PolarHBondContact O-N 3.37Å; E263-L265 VanDerWaalsContact C-N 3.29Å; E263-L265 PolarHBondContact O-N 3.2Å; L265-E267 VanDerWaalsContact C-N 3.26Å; L265-E267 WeakPolarHBondContact CB-O 3.18Å; L265-E267 PolarHBondContact O-N 3.25Å; L265-L269 HydrophobicContact CD1-CD1 3.94Å; L265-L269 HydrophobicContact CD1-CG 3.87Å; L265-L269 HydrophobicContact CD2-CD1 3.65Å; L265-L269 HydrophobicContact CD2-CD2 4.47Å; L265-L269 HydrophobicContact CD2-CG 3.9Å; L265-L269 HydrophobicContact CG-CD1 4.47Å; L265-L269 HydrophobicContact CG-CG 4.49Å
266P95Very high94.2Very high121 Ų12166.9 Ų66.979%0.78635%0.352SS*.SBendtrans-66.3-32.4176.627.6-34.2000112
267E96.1Very high92Very high152 Ų15271.9 Ų71.971%0.7139%0.388SS*.SBendtrans-138.4149.5174.2-66.3-176.9178.200109.2L265 L269L265-E267 VanDerWaalsContact C-N 3.26Å; L265-E267 WeakPolarHBondContact CB-O 3.18Å; L265-E267 PolarHBondContact O-N 3.25Å; E267-L269 PolarHBondContact O-N 3.07Å
268P96.8Very high89.6Confident80 Ų8078.8 Ų78.852%0.51942%0.42SS..  trans-53.7139.6173.3-26.535.9000112.2V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.31Å; Q261-P268 HydrophobicContact CG-CB 4Å; Q261-P268 HydrophobicContact CG-CG 4.1Å
269L97.4Very high87Confident59 Ų5984 Ų8431%0.30945%0.454SS..EExtended strand (participates in β ladder)trans-91.4136.3175.1-64.5177.5000110.4T186 H259 V260 L265 E267T186-L269 HydrophobicContact CG2-CD1 4.45Å; H259-L269 CarbonylContact C-O 3.51Å; H259-L269 VanDerWaalsContact CA-O 3.29Å; H259-L269 WeakPolarHBondContact CA-O 3.18Å; V260-L269 HydrophobicContact CB-CB 4.36Å; V260-L269 PolarHBondContact N-O 3.27Å; V260-L269 PolarHBondContact O-N 3.19Å; L265-L269 HydrophobicContact CD1-CD1 3.94Å; L265-L269 HydrophobicContact CD1-CG 3.87Å; L265-L269 HydrophobicContact CD2-CD1 3.65Å; L265-L269 HydrophobicContact CD2-CD2 4.47Å; L265-L269 HydrophobicContact CD2-CG 3.9Å; L265-L269 HydrophobicContact CG-CD1 4.47Å; L265-L269 HydrophobicContact CG-CG 4.49Å; E267-L269 PolarHBondContact O-N 3.07Å
270T97.7Very high84.9Confident82 Ų8288.8 Ų88.850%0.50349%0.485SS..EExtended strand (participates in β ladder)trans-113.9121.1169.3-54.20000109.1T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.93Å; C258-T270 CarbonylContact O-C 3.54Å; C258-T270 WeakPolarHBondContact O-CA 3.31Å; H259-T270 PolarHBondContact CE1-OG1 3.37Å; H259-T270 PolarHBondContact ND1-OG1 3.07Å; H259-T270 VanDerWaalsContact ND1-OG1 3.08Å
271L97.1Very high82.8Confident37 Ų3794 Ų9419%0.19451%0.512CS..EExtended strand (participates in β ladder)trans-116.8142.1-175.3-60.2156.2000110T186 V188 T257 C258 V260T186-L271 VanDerWaalsContact CB-CD1 3.42Å; T186-L271 HydrophobicContact CG2-CD1 4.15Å; T186-L271 WeakPolarHBondContact OG1-CD1 3.36Å; V188-L271 HydrophobicContact CG2-CB 3.93Å; T257-L271 CarbonylContact C-O 3.55Å; T257-L271 WeakPolarHBondContact CA-O 3.41Å; C258-L271 HydrophobicContact CB-CB 4.32Å; C258-L271 PolarHBondContact N-O 3.16Å; C258-L271 PolarHBondContact O-N 3.2Å; V260-L271 HydrophobicContact CG2-CD1 4.02Å
272R96Very high80.9Confident144 Ų14493.1 Ų93.154%0.54352%0.515SS..  trans-116.9161.1167-70.9-175.1175.8159.50109.3T257 E274T257-R272 HydrophobicContact CG2-CG 3.61Å; T257-R272 VanDerWaalsContact CG2-NE 3.26Å; R272-E274 PolarHBondContact O-N 2.84Å
273W95.6Very high79.1Confident46 Ų4698 Ų9817%0.17454%0.541CS..PPolyproline II helixtrans-69.3121.9167.6170.656.9000109.9V188 H190 L200 E253 Q254 P275V188-W273 HydrophobicContact CB-CB 4.43Å; V188-W273 HydrophobicContact CG1-CB 3.82Å; H190-W273 HydrophobicContact CB-CD2 4.12Å; H190-W273 HydrophobicContact CB-CG 4.17Å; H190-W273 HydrophobicContact CB-CZ2 4.01Å; H190-W273 VanDerWaalsContact CB-NE1 3.27Å; H190-W273 AromaticContact CG-CE2 3.78Å; H190-W273 AromaticContact CG-CZ2 3.79Å; H190-W273 AromaticContact ND1-CZ2 3.97Å; L200-W273 HydrophobicContact CD1-CB 4.4Å; L200-W273 HydrophobicContact CD2-CB 3.84Å; L200-W273 HydrophobicContact CD2-CD2 4.35Å; L200-W273 HydrophobicContact CD2-CG 3.95Å; E253-W273 HydrophobicContact CB-CD2 4.44Å; E253-W273 HydrophobicContact CB-CE3 3.4Å; E253-W273 VanDerWaalsContact CB-CE3 3.4Å; E253-W273 HydrophobicContact CB-CZ3 3.78Å; E253-W273 HydrophobicContact CG-CE3 3.73Å; E253-W273 HydrophobicContact CG-CZ3 3.73Å; Q254-W273 PolarHBondContact NE2-O 2.95Å; W273-P275 HydrophobicContact CH2-CB 4.41Å; W273-P275 HydrophobicContact CH2-CG 4.01Å; W273-P275 HydrophobicContact CZ2-CB 4.16Å; W273-P275 HydrophobicContact CZ2-CG 4.11Å; W273-P275 HydrophobicContact CZ3-CG 4.2Å
274E89.3Confident77.4Confident163 Ų16397.5 Ų97.576%0.76255%0.547SS*.PPolyproline II helixtrans-100.8122169.9-70.6-175.9174.300109.3R272 S276R272-E274 PolarHBondContact O-N 2.84Å; E274-S276 PolarHBondContact O-N 3.12Å
275P81.2Confident76.1Confident80 Ų8099 Ų9952%0.51956%0.562SS.*PPolyproline II helixtrans-58.4125.4171.4-21.231.7000109.3W273 S277W273-P275 HydrophobicContact CH2-CB 4.41Å; W273-P275 HydrophobicContact CH2-CG 4.01Å; W273-P275 HydrophobicContact CZ2-CB 4.16Å; W273-P275 HydrophobicContact CZ2-CG 4.11Å; W273-P275 HydrophobicContact CZ3-CG 4.2Å; P275-S277 PolarHBondContact O-N 2.66Å
276S65.5Low74.9Confident98 Ų98102.3 Ų102.369%0.68558%0.579SS**  trans-48.4108174.8167.30000110.1E274 Q278E274-S276 PolarHBondContact O-N 3.12Å; S276-Q278 PolarHBondContact O-N 2.87Å; S276-Q278 PolarHBondContact OG-N 3.11Å
277S50.1Low73.8Confident113 Ų113100.9 Ų100.979%0.7957%0.568SS**  trans-80.862.7167.447.60000108.3P275 P279P275-S277 PolarHBondContact O-N 2.66Å; S277-P279 WeakPolarHBondContact O-CD 3.46Å; S277-P279 VanDerWaalsContact O-N 3.13Å
278Q47.6Very low72.7Confident158 Ų15896.2 Ų96.274%0.73856%0.555SS**  trans-62.2115.3157.3-86.4-175.4-13.300105.9S276 T280S276-Q278 PolarHBondContact O-N 2.87Å; S276-Q278 PolarHBondContact OG-N 3.11Å; Q278-T280 PolarHBondContact O-N 2.87Å
279P44.3Very low71.9Confident109 Ų10994 Ų9471%0.70855%0.547SS*.  trans-59.8115.3168.424.7-29.7000105.1S277 I281S277-P279 WeakPolarHBondContact O-CD 3.46Å; S277-P279 VanDerWaalsContact O-N 3.13Å; P279-I281 PolarHBondContact O-N 2.89Å
280T53.1Low71.2Confident134 Ų13496.4 Ų96.482%0.82256%0.559SS**  trans-60.788.1164-40.90000104.9Q278 P282Q278-T280 PolarHBondContact O-N 2.87Å; T280-P282 VanDerWaalsContact O-CD 3.29Å; T280-P282 WeakPolarHBondContact O-CD 3.32Å
281I56.1Low70.4Confident108 Ų10895.1 Ų95.155%0.55456%0.557SS**  trans-50.2119.2168.3-64.3174.6000103.2P279 I283 I286P279-I281 PolarHBondContact O-N 2.89Å; I281-I283 HydrophobicContact CG2-CG1 4.49Å; I281-I283 PolarHBondContact O-N 2.82Å; I281-I286 HydrophobicContact CG2-CD1 3.91Å
282P56.7Low69.8Low87 Ų8797.5 Ų97.557%0.56557%0.573SS**  trans-73.480.8-175.929-32.4000106.7T280 V284 G285 I286T280-P282 VanDerWaalsContact O-CD 3.29Å; T280-P282 WeakPolarHBondContact O-CD 3.32Å; P282-V284 PolarHBondContact O-N 2.9Å; P282-V284 VanDerWaalsContact O-N 3.14Å; P282-G285 WeakPolarHBondContact O-CA 3.31Å; P282-G285 PolarHBondContact O-N 3.21Å; P282-I286 PolarHBondContact O-N 3.28Å; P282-I286 VanDerWaalsContact O-N 3.16Å
283I61Low69.1Low119 Ų11996.1 Ų96.161%0.6158%0.576SS**Hα-helixtrans-54.5-34.6177.4-65.7169.7000108.4I281 G285 I286 V287I281-I283 HydrophobicContact CG2-CG1 4.49Å; I281-I283 PolarHBondContact O-N 2.82Å; I283-G285 PolarHBondContact O-N 2.9Å; I283-I286 PolarHBondContact O-N 3.08Å; I283-V287 HydrophobicContact CG2-CG2 4.25Å; I283-V287 WeakPolarHBondContact O-CB 3.47Å; I283-V287 WeakPolarHBondContact O-CG2 3.35Å; I283-V287 PolarHBondContact O-N 3.3Å
284V60.2Low68.5Low123 Ų12396.5 Ų96.575%0.74559%0.589SS**Hα-helixtrans-61.1-41.3173.31800000112.6P282 A288P282-V284 PolarHBondContact O-N 2.9Å; P282-V284 VanDerWaalsContact O-N 3.14Å; V284-A288 VanDerWaalsContact O-CB 3.25Å; V284-A288 WeakPolarHBondContact O-CB 3.24Å; V284-A288 PolarHBondContact O-N 3.11Å
285G64.8Low68.2Low44 Ų4492.9 Ų92.945%0.45458%0.578SS.*Hα-helixtrans-68.9-38.1179.300000112.8P282 I283 G289P282-G285 WeakPolarHBondContact O-CA 3.31Å; P282-G285 PolarHBondContact O-N 3.21Å; I283-G285 PolarHBondContact O-N 2.9Å; G285-G289 PolarHBondContact O-N 2.8Å
286I71.8Confident68.3Low92 Ų9294 Ų9447%0.47258%0.579SS.*Hα-helixtrans-70.2-43.8176.7-61.5173.8000110.5I281 P282 I283 G289 L290I281-I286 HydrophobicContact CG2-CD1 3.91Å; P282-I286 PolarHBondContact O-N 3.28Å; P282-I286 VanDerWaalsContact O-N 3.16Å; I283-I286 PolarHBondContact O-N 3.08Å; I286-G289 PolarHBondContact O-N 3.23Å; I286-L290 HydrophobicContact CG2-CD1 4Å; I286-L290 HydrophobicContact CG2-CG 4.49Å; I286-L290 WeakPolarHBondContact O-CB 3.48Å; I286-L290 WeakPolarHBondContact O-CG 3.5Å; I286-L290 PolarHBondContact O-N 3.14Å
287V72.8Confident69.1Low91 Ų9192.4 Ų92.455%0.55257%0.572SS**Hα-helixtrans-65.3-43178172.90000111.2I283 L290 A291I283-V287 HydrophobicContact CG2-CG2 4.25Å; I283-V287 WeakPolarHBondContact O-CB 3.47Å; I283-V287 WeakPolarHBondContact O-CG2 3.35Å; I283-V287 PolarHBondContact O-N 3.3Å; V287-L290 PolarHBondContact O-N 3.05Å; V287-A291 WeakPolarHBondContact O-CB 3.18Å; V287-A291 PolarHBondContact O-N 3.46Å
288A72.7Confident70.6Confident53 Ų5391.5 Ų91.544%0.43856%0.561SS.*Hα-helixtrans-63.3-43.3175.100000111.8V284 A291 V292V284-A288 VanDerWaalsContact O-CB 3.25Å; V284-A288 WeakPolarHBondContact O-CB 3.24Å; V284-A288 PolarHBondContact O-N 3.11Å; A288-A291 PolarHBondContact O-N 2.84Å; A288-V292 WeakPolarHBondContact O-CG2 3.3Å; A288-V292 PolarHBondContact O-N 3.4Å
289G78.6Confident72.2Confident33 Ų3388.7 Ų88.734%0.3455%0.551SS.*Hα-helixtrans-61.8-43.6176.800000113.1G285 I286 V292 L293G285-G289 PolarHBondContact O-N 2.8Å; I286-G289 PolarHBondContact O-N 3.23Å; G289-V292 PolarHBondContact O-N 3.45Å; G289-L293 PolarHBondContact O-N 2.83Å
290L83.4Confident73.9Confident110 Ų11085.6 Ų85.658%0.57654%0.538SS*.Hα-helixtrans-66.7-38.5176.7-73.3171.9000112.4I286 V287 L293 A294I286-L290 HydrophobicContact CG2-CD1 4Å; I286-L290 HydrophobicContact CG2-CG 4.49Å; I286-L290 WeakPolarHBondContact O-CB 3.48Å; I286-L290 WeakPolarHBondContact O-CG 3.5Å; I286-L290 PolarHBondContact O-N 3.14Å; V287-L290 PolarHBondContact O-N 3.05Å; L290-L293 PolarHBondContact O-N 3.49Å; L290-A294 WeakPolarHBondContact O-CB 3.44Å; L290-A294 PolarHBondContact O-N 3.11Å
291A81Confident75.1Confident55 Ų5581.8 Ų81.846%0.45552%0.521SS..Hα-helixtrans-63.3-43175.600000111.7V287 A288 A294 V295V287-A291 WeakPolarHBondContact O-CB 3.18Å; V287-A291 PolarHBondContact O-N 3.46Å; A288-A291 PolarHBondContact O-N 2.84Å; A291-A294 PolarHBondContact O-N 3.34Å; A291-V295 WeakPolarHBondContact O-CG2 3.49Å; A291-V295 PolarHBondContact O-N 3.08Å
292V83.3Confident76.1Confident88 Ų8880.5 Ų80.553%0.53352%0.518SS..Hα-helixtrans-63.5-44.3176.4172.80000111.2A288 G289 A294 V295 L296A288-V292 WeakPolarHBondContact O-CG2 3.3Å; A288-V292 PolarHBondContact O-N 3.4Å; G289-V292 PolarHBondContact O-N 3.45Å; V292-A294 VanDerWaalsContact C-N 3.34Å; V292-A294 PolarHBondContact O-N 3.49Å; V292-V295 PolarHBondContact O-N 3.38Å; V292-L296 HydrophobicContact CG1-CD1 4.02Å; V292-L296 HydrophobicContact CG1-CG 4.42Å; V292-L296 WeakPolarHBondContact O-CG 3.19Å; V292-L296 PolarHBondContact O-N 3.48Å
293L82.5Confident76.9Confident114 Ų11482.1 Ų82.160%0.59752%0.519SS*.Hα-helixtrans-61.6-41176.6-81.5166.3000112.4G289 L290 L296 A297G289-L293 PolarHBondContact O-N 2.83Å; L290-L293 PolarHBondContact O-N 3.49Å; L293-L296 PolarHBondContact O-N 3.1Å; L293-A297 WeakPolarHBondContact O-CB 3.37Å; L293-A297 PolarHBondContact O-N 2.96Å
294A82.8Confident77.5Confident55 Ų5579 Ų7946%0.45551%0.511SS..Hα-helixtrans-63.3-43.6176.100000111.8L290 A291 V292 A297 V298L290-A294 WeakPolarHBondContact O-CB 3.44Å; L290-A294 PolarHBondContact O-N 3.11Å; A291-A294 PolarHBondContact O-N 3.34Å; V292-A294 VanDerWaalsContact C-N 3.34Å; V292-A294 PolarHBondContact O-N 3.49Å; A294-A297 PolarHBondContact O-N 3.22Å; A294-V298 WeakPolarHBondContact O-CG2 3.44Å; A294-V298 PolarHBondContact O-N 2.99Å
295V83.2Confident78.1Confident87 Ų8776.8 Ų76.853%0.52750%0.497SS..Hα-helixtrans-62.7-44176.5171.90000111.2A291 V292 A297 V298 L299A291-V295 WeakPolarHBondContact O-CG2 3.49Å; A291-V295 PolarHBondContact O-N 3.08Å; V292-V295 PolarHBondContact O-N 3.38Å; V295-A297 PolarHBondContact O-N 3.49Å; V295-V298 PolarHBondContact O-N 2.99Å; V295-L299 HydrophobicContact CG1-CD1 3.98Å; V295-L299 WeakPolarHBondContact O-CG 3.43Å; V295-L299 PolarHBondContact O-N 3.01Å
296L83.8Confident78.5Confident102 Ų10278.3 Ų78.353%0.53450%0.498SS..Hα-helixtrans-64.2-39.3177.3-71.2173.8000112.3V292 L293 L299 G300V292-L296 HydrophobicContact CG1-CD1 4.02Å; V292-L296 HydrophobicContact CG1-CG 4.42Å; V292-L296 WeakPolarHBondContact O-CG 3.19Å; V292-L296 PolarHBondContact O-N 3.48Å; L293-L296 PolarHBondContact O-N 3.1Å; L296-L299 PolarHBondContact O-N 3.06Å; L296-G300 PolarHBondContact O-N 2.76Å
297A81.8Confident78.5Confident65 Ų6580.2 Ų80.254%0.53751%0.507SS..Hα-helixtrans-63.9-41.8175.800000111.8L293 A294 V295 G300 A301L293-A297 WeakPolarHBondContact O-CB 3.37Å; L293-A297 PolarHBondContact O-N 2.96Å; A294-A297 PolarHBondContact O-N 3.22Å; V295-A297 PolarHBondContact O-N 3.49Å; A297-G300 PolarHBondContact O-N 3.09Å; A297-A301 WeakPolarHBondContact O-CB 3.35Å; A297-A301 PolarHBondContact O-N 2.71Å
298V81.9Confident77.9Confident95 Ų9580.2 Ų80.258%0.57651%0.509SS*.Hα-helixtrans-64.2-45.4175.7173.10000110.9A294 V295 G300 A301 V302A294-V298 WeakPolarHBondContact O-CG2 3.44Å; A294-V298 PolarHBondContact O-N 2.99Å; V295-V298 PolarHBondContact O-N 2.99Å; V298-G300 VanDerWaalsContact C-N 3.35Å; V298-G300 PolarHBondContact O-N 3.32Å; V298-A301 PolarHBondContact O-N 3.07Å; V298-V302 HydrophobicContact CG1-CG2 4.44Å; V298-V302 VanDerWaalsContact O-CG2 3.28Å; V298-V302 WeakPolarHBondContact O-CG2 3.36Å; V298-V302 PolarHBondContact O-N 3.48Å
299L80.6Confident77.3Confident99 Ų9986.7 Ų86.752%0.51852%0.523SS..Hα-helixtrans-61.6-42.7176.2-72.7168.7000111.9V295 L296 V302 M303V295-L299 HydrophobicContact CG1-CD1 3.98Å; V295-L299 WeakPolarHBondContact O-CG 3.43Å; V295-L299 PolarHBondContact O-N 3.01Å; L296-L299 PolarHBondContact O-N 3.06Å; L299-V302 PolarHBondContact O-N 3.05Å; L299-M303 WeakPolarHBondContact O-CB 3.32Å; L299-M303 VanDerWaalsContact O-CG 3.31Å; L299-M303 WeakPolarHBondContact O-CG 3.35Å; L299-M303 PolarHBondContact O-N 3.48Å
300G79.9Confident76.3Confident43 Ų4395.1 Ų95.144%0.44354%0.544SS..Hα-helixtrans-60.4-44.5174.700000112.6L296 A297 V298 M303 A304L296-G300 PolarHBondContact O-N 2.76Å; A297-G300 PolarHBondContact O-N 3.09Å; V298-G300 VanDerWaalsContact C-N 3.35Å; V298-G300 PolarHBondContact O-N 3.32Å; G300-M303 PolarHBondContact O-N 3.45Å; G300-A304 WeakPolarHBondContact O-CB 3.33Å; G300-A304 PolarHBondContact O-N 2.91Å
301A77.8Confident74.8Confident55 Ų5598.7 Ų98.746%0.45556%0.555SS.*Hα-helixtrans-64.2-42.1176.400000112.2A297 V298 A304 V305A297-A301 WeakPolarHBondContact O-CB 3.35Å; A297-A301 PolarHBondContact O-N 2.71Å; V298-A301 PolarHBondContact O-N 3.07Å; A301-A304 PolarHBondContact O-N 3.35Å; A301-V305 VanDerWaalsContact O-CG2 3.31Å; A301-V305 WeakPolarHBondContact O-CG2 3.24Å; A301-V305 PolarHBondContact O-N 3.19Å
302V77.8Confident73.3Confident81 Ų81100.7 Ų100.749%0.49157%0.565SS.*Hα-helixtrans-62.9-45.2176.2171.80000110.8V298 L299 A304 V305 V306V298-V302 HydrophobicContact CG1-CG2 4.44Å; V298-V302 VanDerWaalsContact O-CG2 3.28Å; V298-V302 WeakPolarHBondContact O-CG2 3.36Å; V298-V302 PolarHBondContact O-N 3.48Å; L299-V302 PolarHBondContact O-N 3.05Å; V302-A304 PolarHBondContact O-N 3.39Å; V302-V305 PolarHBondContact O-N 3.33Å; V302-V306 HydrophobicContact CG1-CG2 4.39Å; V302-V306 WeakPolarHBondContact O-CB 3.49Å; V302-V306 VanDerWaalsContact O-CG2 3.29Å; V302-V306 WeakPolarHBondContact O-CG2 3.34Å; V302-V306 PolarHBondContact O-N 3.03Å
303M74.3Confident71.6Confident120 Ų120101.3 Ų101.359%0.59157%0.574SS**Hα-helixtrans-62.3-41.4176.6-72.7-65.7-72.800112.1L299 G300 V306 M307L299-M303 WeakPolarHBondContact O-CB 3.32Å; L299-M303 VanDerWaalsContact O-CG 3.31Å; L299-M303 WeakPolarHBondContact O-CG 3.35Å; L299-M303 PolarHBondContact O-N 3.48Å; G300-M303 PolarHBondContact O-N 3.45Å; M303-V306 PolarHBondContact O-N 3.32Å; M303-M307 WeakPolarHBondContact O-CB 3.47Å; M303-M307 WeakPolarHBondContact O-CG 3.46Å; M303-M307 PolarHBondContact O-N 3.1Å
304A73.3Confident69.6Low53 Ų5399 Ų9944%0.43858%0.577SS.*Hα-helixtrans-63.1-43175.200000112.1G300 A301 V302 M307 C308G300-A304 WeakPolarHBondContact O-CB 3.33Å; G300-A304 PolarHBondContact O-N 2.91Å; A301-A304 PolarHBondContact O-N 3.35Å; V302-A304 PolarHBondContact O-N 3.39Å; A304-M307 PolarHBondContact O-N 2.98Å; A304-C308 WeakPolarHBondContact O-CB 3.18Å; A304-C308 PolarHBondContact O-N 2.93Å; A304-C308 PolarHBondContact O-SG 3.45Å
305V73.1Confident67.4Low77 Ų77100.5 Ų100.547%0.46760%0.599SS.*Hα-helixtrans-64.7-41.7175.8169.80000111.5A301 V302 C308 R309A301-V305 VanDerWaalsContact O-CG2 3.31Å; A301-V305 WeakPolarHBondContact O-CG2 3.24Å; A301-V305 PolarHBondContact O-N 3.19Å; V302-V305 PolarHBondContact O-N 3.33Å; V305-C308 PolarHBondContact O-N 3.03Å; V305-R309 WeakPolarHBondContact O-CB 3.32Å; V305-R309 WeakPolarHBondContact O-CG 3.46Å; V305-R309 PolarHBondContact O-N 2.96Å
306V72.5Confident65.1Low76 Ų76106.8 Ų106.846%0.46162%0.619SS.*Hα-helixtrans-65.6-41.4177.11710000111V302 M303 R309 R310V302-V306 HydrophobicContact CG1-CG2 4.39Å; V302-V306 WeakPolarHBondContact O-CB 3.49Å; V302-V306 VanDerWaalsContact O-CG2 3.29Å; V302-V306 WeakPolarHBondContact O-CG2 3.34Å; V302-V306 PolarHBondContact O-N 3.03Å; M303-V306 PolarHBondContact O-N 3.32Å; V306-R309 PolarHBondContact O-N 2.77Å; V306-R310 WeakPolarHBondContact O-CB 3.48Å; V306-R310 PolarHBondContact O-N 3.3Å
307M70.9Confident62.6Low133 Ų133105.6 Ų105.666%0.65563%0.631SS**Hα-helixtrans-66.1-41.4174.8-74.8-170.972.900112.3M303 A304 R309 R310 K311M303-M307 WeakPolarHBondContact O-CB 3.47Å; M303-M307 WeakPolarHBondContact O-CG 3.46Å; M303-M307 PolarHBondContact O-N 3.1Å; A304-M307 PolarHBondContact O-N 2.98Å; M307-R309 VanDerWaalsContact C-N 3.32Å; M307-R309 PolarHBondContact O-N 2.85Å; M307-R310 PolarHBondContact O-N 3.44Å; M307-K311 WeakPolarHBondContact O-CB 3.45Å; M307-K311 PolarHBondContact O-N 3.43Å
308C62.1Low60.2Low90 Ų90106.6 Ų106.661%0.60865%0.648SS**Hα-helixtrans-61.5-40.7173.1-79.90000111.6A304 V305 K311 S312A304-C308 WeakPolarHBondContact O-CB 3.18Å; A304-C308 PolarHBondContact O-N 2.93Å; A304-C308 PolarHBondContact O-SG 3.45Å; V305-C308 PolarHBondContact O-N 3.03Å; C308-K311 PolarHBondContact O-N 2.86Å; C308-S312 PolarHBondContact O-N 3.49Å; C308-S312 PolarHBondContact O-OG 3.04Å; C308-S312 VanDerWaalsContact O-OG 3.11Å
309R60.1Low57.9Low190 Ų190107.8 Ų107.872%0.71766%0.66SS**Hα-helixtrans-67.7-35.9175.7-80.8-173.1143.7156.7-3113.4V305 V306 M307 K311 S312V305-R309 WeakPolarHBondContact O-CB 3.32Å; V305-R309 WeakPolarHBondContact O-CG 3.46Å; V305-R309 PolarHBondContact O-N 2.96Å; V306-R309 PolarHBondContact O-N 2.77Å; M307-R309 VanDerWaalsContact C-N 3.32Å; M307-R309 PolarHBondContact O-N 2.85Å; R309-K311 VanDerWaalsContact C-N 3.33Å; R309-S312 WeakPolarHBondContact CA-OG 3.46Å; R309-S312 PolarHBondContact O-OG 3.1Å; R309-S312 VanDerWaalsContact O-OG 3.06Å
310R57.2Low55.6Low210 Ų210108.7 Ų108.779%0.79267%0.673SS**Hα-helixtrans-68.3-30.8172.3-113.7-180172.5174.3-2112.6V306 M307 S313V306-R310 WeakPolarHBondContact O-CB 3.48Å; V306-R310 PolarHBondContact O-N 3.3Å; M307-R310 PolarHBondContact O-N 3.44Å; R310-S313 PolarHBondContact O-OG 3.28Å
311K50.3Low53.3Low184 Ų184111.7 Ų111.780%0.869%0.688SS**Hα-helixtrans-82.6-21.4178.6-161.8167.7-178.9177.90113.1M307 C308 R309M307-K311 WeakPolarHBondContact O-CB 3.45Å; M307-K311 PolarHBondContact O-N 3.43Å; C308-K311 PolarHBondContact O-N 2.86Å; R309-K311 VanDerWaalsContact C-N 3.33Å
312S50.8Low51.1Low97 Ų97118.1 Ų118.168%0.67871%0.708SS**SBendtrans-86.90.9175.555.10000115.2C308 R309C308-S312 PolarHBondContact O-N 3.49Å; C308-S312 PolarHBondContact O-OG 3.04Å; C308-S312 VanDerWaalsContact O-OG 3.11Å; R309-S312 WeakPolarHBondContact CA-OG 3.46Å; R309-S312 PolarHBondContact O-OG 3.1Å; R309-S312 VanDerWaalsContact O-OG 3.06Å
313S47.2Very low48.9Very low102 Ų102118.7 Ų118.771%0.71372%0.722SS**SBendtrans-100.731.1176.671.20000113.7R310R310-S313 PolarHBondContact O-OG 3.28Å
314G40.5Very low46.8Very low64 Ų64117.4 Ų117.466%0.6673%0.73SS**SBendtrans-164.7103.7174.400000113
315G36.4Very low44.7Very low88 Ų88120.2 Ų120.291%0.90775%0.746SS**  trans118.8109.8156.300000115.7
316K34.5Very low42.9Very low218 Ų218120.9 Ų120.995%0.94876%0.755SS**  trans-108135.9179.4-175.9168.5-180173.70108.2
317G33Very low41.1Very low78 Ų78124.7 Ų124.780%0.80477%0.772SS**  trans128.9116.8148.100000119.3
318G30.9Very low39.6Very low85 Ų85123.4 Ų123.488%0.87678%0.777SS**  trans80.4146.3145.700000117.4
319S32.4Very low38.4Very low120 Ų120123.5 Ų123.584%0.83978%0.784SS**  cis-165.2153-11171.70000105.9
320C32Very low37.3Very low118 Ų118124.3 Ų124.380%0.79780%0.796SS**  trans-54.2143.9168.6-80.50000112.5
321S32.1Very low36Very low106 Ų106117.4 Ų117.474%0.74179%0.789SS**  170.514098.551.70000114.5
322Q31.4Very low35.3Very low191 Ų191114 Ų11489%0.89379%0.789SS**  trans83123.1141.2-132.3162.41.600122.2
323A31.6Very low34.6Very low93 Ų93117 Ų11777%0.76980%0.797SS**  trans-76.3156.7168.700000112.5
324A30.4Very low33.9Very low93 Ų93120.5 Ų120.577%0.76980%0.803SS**  177.415911900000112.2
325S30.4Very low33.5Very low111 Ų111123.3 Ų123.378%0.77681%0.812SS**  trans77.3130.5169.786.10000116.8
326S35.2Very low33.3Very low92 Ų92125.8 Ų125.864%0.64380%0.804SS**  cis171.9139.6-2638.70000105.6
327N33.8Very low33.2Very low156 Ų156122.8 Ų122.883%0.83480%0.797SS**  trans49.4138144-56-17.7000118.5
328S38.9Very low33.1Very low106 Ų106123.2 Ų123.274%0.74179%0.792SS**  cis-168.913945.833.60000107.1
329A37.4Very low33.2Very low92 Ų92125.3 Ų125.376%0.7679%0.792SS**  62.197.953.700000114.9
330Q36.2Very low33.3Very low207 Ų207129.2 Ų129.297%0.96779%0.794SS**  trans-177.4127.4145.1-108.7167.9-9.800108.5
331G30.5Very low33.5Very low64 Ų64132 Ų13266%0.6683%0.825SS**  cis-168.5169.65.300000114.5
332S36.9Very low33.6Very low114 Ų114133.3 Ų133.380%0.79783%0.829SS**  trans60.199.5145.840.40000120
333D35.6Very low33.7Very low158 Ų158130.2 Ų130.285%0.84583%0.826SS**  18.5141.4109.7-60.4-31.8000116.5
334E32.3Very low33.8Very low177 Ų177132.3 Ų132.383%0.82783%0.829SS**  -172.2129.353.5-154.6176.7-172.800109.1
335S30.7Very low34Very low123 Ų123134.6 Ų134.686%0.8683%0.833SS**  trans-145108.8157.971.80000108.6
336L32.9Very low34.2Very low140 Ų140136.1 Ų136.173%0.73384%0.836SS**  trans-124.8140.3176.6-104.3174.6000109.6
337I32.8Very low34.2Very low155 Ų155139 Ų13980%0.79585%0.849SS**  trans81.1133.8152.4-59.5161000114.9
338A31.3Very low34.2Very low87 Ų87137.8 Ų137.872%0.71985%0.85SS**  cis-169.5156.5-12.400000107.7
339C32.9Very low33.8Very low128 Ų128140.2 Ų140.287%0.86586%0.859SS**  trans-75.6143.2160-74.80000110.7
340K33.9Very low33.5Very low202 Ų202144.3 Ų144.388%0.87887%0.867SS**  trans-161.9134.5132.7-126.2176.5-177.4177.70112.7
341A36.6Very low33.3Very low176 Ų176138.5 Ų138.5100%1.45586%0.858SS**  trans54.80151.100000118.7

Retrieved 341 of 341 residues in 1204.9 ms (Link to these results)

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