A0A060GTH7_HUMAN Loading...

MHC class I antigen

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

AlphaFold DB , UniProt , Accession A0A060GTH7, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 273 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1S93.7Very high98.2Very high96 Ų9637.1 Ų37.167%0.67120%0.204SC*.  0156.50-58.90000107.8L102S1-L102 VanDerWaalsContact CA-O 3.31Å; S1-L102 WeakPolarHBondContact CA-O 3.43Å; S1-L102 VanDerWaalsContact CB-O 3.28Å; S1-L102 WeakPolarHBondContact CB-O 3.19Å
2H97.6Very high98.1Very high47 Ų4735.4 Ų35.422%0.21820%0.197CC..EExtended strand (participates in β ladder)trans-140.1156.7-179-66.9-75.9000110.8D28 D101 L102 L167 L171 L178H2-D28 WeakPolarHBondContact CA-OD1 3.34Å; H2-D28 IonicContact CE1-OD2 3.24Å; H2-D28 IonicContact CG-OD2 3.43Å; H2-D28 IonicContact ND1-OD1 3.13Å; H2-D28 IonicContact ND1-OD2 2.61Å; H2-D28 PolarHBondContact ND1-OD2 2.92Å; H2-D101 CarbonylContact O-C 3.47Å; H2-D101 WeakPolarHBondContact O-CA 3.43Å; H2-L102 PolarHBondContact N-O 3.15Å; H2-L102 VanDerWaalsContact N-O 3.1Å; H2-L102 PolarHBondContact O-N 3.4Å; H2-L167 HydrophobicContact CB-CD1 4.42Å; H2-L171 HydrophobicContact CB-CD1 3.74Å; H2-L171 HydrophobicContact CB-CD2 3.96Å; H2-L171 HydrophobicContact CB-CG 4.42Å; H2-L171 VanDerWaalsContact CG-CD2 3.46Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.33Å; H2-L178 PolarHBondContact CE1-O 3.38Å
3S98.4Very high98Very high24 Ų2438.5 Ų38.517%0.16820%0.204CC..EExtended strand (participates in β ladder)trans-131.5150.717867.80000111.7V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.57Å; S3-V27 VanDerWaalsContact O-CA 3.29Å; S3-V27 WeakPolarHBondContact O-CA 3.46Å; S3-D28 PolarHBondContact N-OD1 2.62Å; S3-D28 PolarHBondContact O-N 3.46Å; S3-C100 WeakPolarHBondContact CA-O 3.47Å; S3-D101 WeakPolarHBondContact CB-OD1 3.34Å
4M98.8Very high97.6Very high1 Ų140 Ų401%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-124.9122.9167-176.717261.100108.2Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.3Å; M4-Y6 HydrophobicContact CG-CE2 4.19Å; M4-Y6 HydrophobicContact SD-CE2 4.12Å; M4-Y26 CarbonylContact C-O 3.56Å; M4-Y26 WeakPolarHBondContact CA-O 3.46Å; M4-V27 HydrophobicContact CG-CG2 4.37Å; M4-F32 HydrophobicContact CG-CE1 4.46Å; M4-F32 HydrophobicContact SD-CZ 4.44Å; M4-G99 CarbonylContact O-C 3.53Å; M4-G99 WeakPolarHBondContact O-CA 3.5Å; M4-C100 PolarHBondContact N-O 3.42Å; M4-C100 PolarHBondContact O-N 3.21Å; M4-C163 HydrophobicContact CE-CB 4.14Å; M4-C163 WeakPolarHBondContact CE-O 3.31Å; M4-C163 WeakPolarHBondContact CE-SG 3.33Å; M4-W166 HydrophobicContact CE-CB 4.14Å; M4-L167 HydrophobicContact CB-CB 4.04Å; M4-L167 HydrophobicContact CB-CD1 4.03Å; M4-L167 HydrophobicContact CB-CD2 3.94Å; M4-L167 HydrophobicContact CB-CG 4.22Å; M4-L167 HydrophobicContact CE-CB 4.29Å; M4-L167 HydrophobicContact SD-CB 4.44Å; M4-Y170 HydrophobicContact SD-CD2 3.77Å; M4-Y170 HydrophobicContact SD-CE2 3.58Å; M4-Y170 VanDerWaalsContact SD-CE2 3.58Å
5R98.8Very high97.3Very high46 Ų4643.3 Ų43.317%0.17426%0.263CS..EExtended strand (participates in β ladder)trans-129.9138.5-176.3-57.2-61.7-17880.63.3110.7F7 G25 Y26 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.36Å; R5-F7 HydrophobicContact CB-CE2 3.54Å; R5-F7 HydrophobicContact CB-CZ 3.79Å; R5-F7 HydrophobicContact CG-CZ 4.41Å; R5-G25 CarbonylContact O-C 3.54Å; R5-G25 WeakPolarHBondContact O-CA 3.39Å; R5-Y26 PolarHBondContact N-O 2.94Å; R5-Y26 PolarHBondContact O-N 3.29Å; R5-D101 IonicContact CZ-OD1 3.56Å; R5-D101 IonicContact NE-OD1 2.69Å; R5-D101 PolarHBondContact NE-OD1 3.18Å; R5-D101 VanDerWaalsContact NH2-CG 3.34Å; R5-D101 IonicContact NH2-OD1 3.43Å; R5-D101 PolarHBondContact NH2-OD1 2.79Å; R5-D101 IonicContact NH2-OD2 3.51Å; R5-D101 PolarHBondContact NH2-OD2 3.31Å; R5-D101 VanDerWaalsContact NH2-OD2 3.11Å; R5-Y112 VanDerWaalsContact NH2-CZ 3.32Å; R5-Y112 PolarHBondContact NH2-OH 2.92Å
6Y98.8Very high97.1Very high7 Ų753.5 Ų53.53%0.02730%0.296CS..EExtended strand (participates in β ladder)trans-113.1134168.2-70.6-91.7000109.1M4 Y8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.3Å; M4-Y6 HydrophobicContact CG-CE2 4.19Å; M4-Y6 HydrophobicContact SD-CE2 4.12Å; Y6-Y8 HydrophobicContact CD1-CE1 4.23Å; Y6-Y8 HydrophobicContact CG-CE1 4.46Å; Y6-V24 WeakPolarHBondContact CA-O 3.35Å; Y6-F32 HydrophobicContact CE1-CZ 4.09Å; Y6-F32 AromaticContact CZ-CZ 3.83Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.23Å; Y6-V33 HydrophobicContact CE1-CG1 4.07Å; Y6-M97 WeakPolarHBondContact O-CA 3.19Å; Y6-Y98 VanDerWaalsContact CB-CE1 3.49Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.47Å; Y6-Y98 HydrophobicContact CD2-CD2 4.47Å; Y6-Y98 AromaticContact CD2-CE2 3.65Å; Y6-Y98 HydrophobicContact CD2-CE2 3.65Å; Y6-Y98 AromaticContact CD2-CZ 3.69Å; Y6-Y98 HydrophobicContact CE2-CE2 4.41Å; Y6-Y98 HydrophobicContact CG-CE1 4.21Å; Y6-Y98 HydrophobicContact CG-CE2 4.11Å; Y6-Y98 AromaticContact CG-CZ 3.66Å; Y6-Y98 PolarHBondContact N-O 3.34Å; Y6-Y98 PolarHBondContact O-N 3.22Å; Y6-Y98 VanDerWaalsContact O-N 3.15Å
7F98.9Very high96.8Very high83 Ų8353.6 Ų53.636%0.36431%0.312SS..EExtended strand (participates in β ladder)trans-119.9116.1178.3-56.9-93.3000108.9R5 A23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CD2 4.36Å; R5-F7 HydrophobicContact CB-CE2 3.54Å; R5-F7 HydrophobicContact CB-CZ 3.79Å; R5-F7 HydrophobicContact CG-CZ 4.41Å; F7-A23 WeakPolarHBondContact O-CA 3.47Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.3Å; F7-V24 PolarHBondContact N-O 2.82Å; F7-V24 PolarHBondContact O-N 2.98Å; F7-Y26 AromaticContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CD2-CE2 4.5Å; F7-Y26 AromaticContact CE2-CD2 3.99Å; F7-Y26 HydrophobicContact CE2-CD2 3.99Å; F7-Y26 HydrophobicContact CE2-CG 4.5Å; F7-R96 WeakPolarHBondContact CA-O 2.82Å; F7-M97 HydrophobicContact CD1-CB 4.08Å; F7-M97 HydrophobicContact CD1-CG 3.67Å; F7-M97 HydrophobicContact CE1-CB 4.24Å; F7-M97 HydrophobicContact CE1-CG 3.42Å; F7-M97 VanDerWaalsContact CE1-CG 3.42Å; F7-M97 HydrophobicContact CZ-CG 4.12Å
8Y98.8Very high96.7Very high10 Ų1055.7 Ų55.74%0.03932%0.318CS..EExtended strand (participates in β ladder)trans-109.8139.4177.9-58.8-12000109.5Y6 F21 I22 A23 Y66 Q69 Q95 R96 Y98Y6-Y8 HydrophobicContact CD1-CE1 4.23Å; Y6-Y8 HydrophobicContact CG-CE1 4.46Å; Y8-F21 HydrophobicContact CD1-CZ 4.21Å; Y8-F21 HydrophobicContact CD2-CE2 4.1Å; Y8-F21 AromaticContact CD2-CZ 3.91Å; Y8-F21 HydrophobicContact CD2-CZ 3.91Å; Y8-F21 HydrophobicContact CE2-CZ 4.3Å; Y8-F21 HydrophobicContact CG-CE2 4.04Å; Y8-F21 AromaticContact CG-CZ 3.83Å; Y8-F21 HydrophobicContact CG-CZ 3.83Å; Y8-I22 CarbonylContact C-O 3.58Å; Y8-I22 WeakPolarHBondContact CA-O 3.48Å; Y8-A23 HydrophobicContact CD1-CB 3.35Å; Y8-A23 HydrophobicContact CE1-CB 3.46Å; Y8-A23 VanDerWaalsContact CE1-CB 3.46Å; Y8-A23 HydrophobicContact CG-CB 4.29Å; Y8-Y66 HydrophobicContact CE1-CD1 4.3Å; Y8-Y66 AromaticContact CE1-CE1 3.88Å; Y8-Y66 HydrophobicContact CE1-CE1 3.88Å; Y8-Q69 HydrophobicContact CD2-CG 3.66Å; Y8-Q69 HydrophobicContact CE2-CB 4.39Å; Y8-Q69 HydrophobicContact CE2-CG 3.64Å; Y8-Q95 CarbonylContact O-C 3.52Å; Y8-Q95 VanDerWaalsContact O-CA 3.3Å; Y8-Q95 WeakPolarHBondContact O-CA 3.17Å; Y8-R96 PolarHBondContact N-O 3.05Å; Y8-R96 PolarHBondContact O-N 2.9Å; Y8-Y98 HydrophobicContact CD2-CE1 4.22Å; Y8-Y98 HydrophobicContact CE1-CE1 4.08Å; Y8-Y98 AromaticContact CE2-CE1 3.61Å; Y8-Y98 HydrophobicContact CE2-CE1 3.61Å; Y8-Y98 AromaticContact CZ-CE1 3.55Å; Y8-Y98 AromaticContact CZ-CZ 3.97Å; Y8-Y98 PolarHBondContact OH-OH 3.25Å
9T98.9Very high96.7Very high43 Ų4354.2 Ų54.226%0.26431%0.311SS..EExtended strand (participates in β ladder)trans-134.9121.2175.5-58.50000109V11 F21 I22 T93 Q95T9-V11 HydrophobicContact CG2-CG2 3.92Å; T9-F21 WeakPolarHBondContact O-CA 3.41Å; T9-I22 PolarHBondContact N-O 2.78Å; T9-I22 PolarHBondContact O-N 2.83Å; T9-T93 HydrophobicContact CG2-CG2 4.02Å; T9-Q95 HydrophobicContact CG2-CG 4.27Å
10A98.7Very high96.8Very high1 Ų156.3 Ų56.31%0.00831%0.314CS..EExtended strand (participates in β ladder)trans-114.7120.7173.300000109.8R20 F21 D73 L77 T93 L94A10-R20 CarbonylContact C-O 3.6Å; A10-R20 VanDerWaalsContact CA-O 3.28Å; A10-R20 WeakPolarHBondContact CA-O 3.36Å; A10-F21 HydrophobicContact CB-CD2 4.31Å; A10-D73 HydrophobicContact CB-CB 3.73Å; A10-L77 HydrophobicContact CB-CD1 3.95Å; A10-T93 WeakPolarHBondContact O-CA 3.47Å; A10-L94 HydrophobicContact CB-CB 4.43Å; A10-L94 PolarHBondContact N-O 3.36Å; A10-L94 PolarHBondContact O-N 3.37Å
11V98.6Very high96.9Very high50 Ų5053.8 Ų53.830%0.30330%0.299SS..EExtended strand (participates in β ladder)trans-117.3113.5-178.4-174.80000109.3T9 P19 R20 T93T9-V11 HydrophobicContact CG2-CG2 3.92Å; V11-P19 CarbonylContact O-C 3.6Å; V11-P19 WeakPolarHBondContact O-CA 3.1Å; V11-P19 WeakPolarHBondContact O-CB 3.49Å; V11-R20 PolarHBondContact N-O 2.91Å; V11-R20 PolarHBondContact O-N 3.3Å; V11-T93 HydrophobicContact CG2-CG2 4.17Å
12S97.8Very high97.1Very high17 Ų1751.6 Ų51.612%0.11928%0.279CS..  trans-71145172.455.60000111S91 H92S12-S91 PolarHBondContact O-OG 3.11Å; S12-H92 PolarHBondContact N-O 2.8Å; S12-H92 WeakPolarHBondContact OG-CA 3.14Å; S12-H92 PolarHBondContact OG-N 2.91Å; S12-H92 PolarHBondContact OG-O 3.34Å
13R96.3Very high97.2Very high76 Ų7649.3 Ų49.329%0.28727%0.269SS..  trans-141.373.7-176.450.9175.1175.6-164.1-7.6111G15 R16 E18 D38R13-G15 PolarHBondContact O-N 3.29Å; R13-R16 HydrophobicContact CB-CB 4.15Å; R13-R16 WeakPolarHBondContact CD-O 3.45Å; R13-R16 HydrophobicContact CG-CB 4.17Å; R13-R16 PolarHBondContact NE-O 3.05Å; R13-R16 PolarHBondContact O-N 2.92Å; R13-E18 PolarHBondContact NE-O 2.99Å; R13-E18 PolarHBondContact NH2-O 2.73Å; R13-E18 VanDerWaalsContact NH2-O 3.17Å; R13-D38 IonicContact CZ-OD1 3.28Å; R13-D38 IonicContact CZ-OD2 2.92Å; R13-D38 IonicContact NH1-OD1 3.23Å; R13-D38 IonicContact NH1-OD2 2.92Å; R13-D38 PolarHBondContact NH1-OD2 2.96Å; R13-D38 IonicContact NH2-OD1 3.07Å; R13-D38 PolarHBondContact NH2-OD1 3.41Å; R13-D38 IonicContact NH2-OD2 3.28Å; R13-D38 PolarHBondContact NH2-OD2 3.09Å
14P92.8Very high97.2Very high59 Ų5949.5 Ų49.538%0.38327%0.269SS..THydrogen-bonded Turntrans-49.9132.4-176.9-26.835000112.2R16 E88 G90P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 2.8Å; P14-E88 WeakPolarHBondContact CB-O 3.42Å; P14-E88 WeakPolarHBondContact CG-O 3.17Å; P14-G90 VanDerWaalsContact CG-O 3.25Å; P14-G90 WeakPolarHBondContact CG-O 3.48Å
15G92.6Very high97.2Very high89 Ų8949.5 Ų49.592%0.91827%0.269SS*.THydrogen-bonded Turntrans77-1.1-176.700000115.8R13R13-G15 PolarHBondContact O-N 3.29Å
16R93.9Very high97.2Very high207 Ų20750.6 Ų50.678%0.78127%0.274SS*.SBendtrans-124.326.3178.9-59.7-174.4179.1-174.3-0.1113.3R13 P14R13-R16 HydrophobicContact CB-CB 4.15Å; R13-R16 WeakPolarHBondContact CD-O 3.45Å; R13-R16 HydrophobicContact CG-CB 4.17Å; R13-R16 PolarHBondContact NE-O 3.05Å; R13-R16 PolarHBondContact O-N 2.92Å; P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 2.8Å
17G92.3Very high97.2Very high56 Ų5650.2 Ų50.258%0.57727%0.272SS*.SBendtrans92.9-160.1179.300000113.7
18E94.5Very high97.1Very high90 Ų9047.8 Ų47.842%0.42126%0.263SS..SBendtrans-73.8158.6-177.5-66-55.4158.100112.8R13 R20 R74R13-E18 PolarHBondContact NE-O 2.99Å; R13-E18 PolarHBondContact NH2-O 2.73Å; R13-E18 VanDerWaalsContact NH2-O 3.17Å; E18-R20 PolarHBondContact O-N 2.88Å; E18-R74 VanDerWaalsContact CD-NE 3.25Å; E18-R74 IonicContact OE1-CZ 3.34Å; E18-R74 VanDerWaalsContact OE1-CZ 3.27Å; E18-R74 IonicContact OE1-NE 3.4Å; E18-R74 IonicContact OE1-NH2 2.69Å; E18-R74 PolarHBondContact OE1-NH2 3.12Å; E18-R74 WeakPolarHBondContact OE2-CD 3.34Å; E18-R74 IonicContact OE2-CZ 2.79Å; E18-R74 IonicContact OE2-NE 3.44Å; E18-R74 PolarHBondContact OE2-NE 3.38Å; E18-R74 IonicContact OE2-NH2 3.81Å; E18-R74 PolarHBondContact OE2-NH2 2.72Å
19P97.1Very high97.1Very high28 Ų2850.4 Ų50.418%0.18228%0.278CS..PPolyproline II helixtrans-52.7131.8174-25.334.3000111.8V11 R74 L77V11-P19 CarbonylContact O-C 3.6Å; V11-P19 WeakPolarHBondContact O-CA 3.1Å; V11-P19 WeakPolarHBondContact O-CB 3.49Å; P19-R74 HydrophobicContact CG-CB 4.41Å; P19-R74 HydrophobicContact CG-CG 4.24Å; P19-L77 HydrophobicContact CB-CD1 3.73Å; P19-L77 HydrophobicContact CG-CD1 3.86Å
20R98.4Very high97Very high96 Ų9649.8 Ų49.836%0.36227%0.274SS..EExtended strand (participates in β ladder)trans-75.4130.2172.5-177.3-178.9-175-176.1-1.8108.4A10 V11 E18 I22 D36 S37 D38A10-R20 CarbonylContact C-O 3.6Å; A10-R20 VanDerWaalsContact CA-O 3.28Å; A10-R20 WeakPolarHBondContact CA-O 3.36Å; V11-R20 PolarHBondContact N-O 2.91Å; V11-R20 PolarHBondContact O-N 3.3Å; E18-R20 PolarHBondContact O-N 2.88Å; R20-I22 HydrophobicContact CG-CG1 4.33Å; R20-D36 IonicContact CZ-OD1 3.72Å; R20-D36 IonicContact CZ-OD2 3.51Å; R20-D36 IonicContact NE-OD1 3.83Å; R20-D36 PolarHBondContact NE-OD1 3.09Å; R20-D36 IonicContact NE-OD2 3.47Å; R20-D36 PolarHBondContact NE-OD2 2.97Å; R20-D36 IonicContact NH2-OD1 3.16Å; R20-D36 IonicContact NH2-OD2 2.68Å; R20-D36 PolarHBondContact NH2-OD2 3.19Å; R20-S37 WeakPolarHBondContact CA-OG 3.13Å; R20-D38 VanDerWaalsContact CD-OD2 3.24Å; R20-D38 WeakPolarHBondContact CD-OD2 3.43Å; R20-D38 HydrophobicContact CG-CB 4.32Å; R20-D38 IonicContact NE-OD2 3.68Å
21F98.8Very high97Very high3 Ų352.3 Ų52.31%0.01329%0.285CS..EExtended strand (participates in β ladder)trans-113.8124176.5175.5-92.9000109.9Y8 T9 A10 A23 F35 S37 Y66 Q69 A70 D73Y8-F21 HydrophobicContact CD1-CZ 4.21Å; Y8-F21 HydrophobicContact CD2-CE2 4.1Å; Y8-F21 AromaticContact CD2-CZ 3.91Å; Y8-F21 HydrophobicContact CD2-CZ 3.91Å; Y8-F21 HydrophobicContact CE2-CZ 4.3Å; Y8-F21 HydrophobicContact CG-CE2 4.04Å; Y8-F21 AromaticContact CG-CZ 3.83Å; Y8-F21 HydrophobicContact CG-CZ 3.83Å; T9-F21 WeakPolarHBondContact O-CA 3.41Å; A10-F21 HydrophobicContact CB-CD2 4.31Å; F21-A23 HydrophobicContact CE1-CB 3.72Å; F21-A23 HydrophobicContact CZ-CB 3.9Å; F21-F35 AromaticContact CD1-CD1 3.72Å; F21-F35 HydrophobicContact CD1-CD1 3.72Å; F21-F35 AromaticContact CD1-CE1 3.78Å; F21-F35 HydrophobicContact CD1-CE1 3.78Å; F21-F35 AromaticContact CE1-CD1 3.92Å; F21-F35 HydrophobicContact CE1-CD1 3.92Å; F21-F35 HydrophobicContact CE1-CE1 4.27Å; F21-S37 PolarHBondContact N-OG 3.01Å; F21-S37 PolarHBondContact O-N 3.12Å; F21-S37 PolarHBondContact O-OG 3.34Å; F21-Y66 HydrophobicContact CE1-CD1 4.28Å; F21-Q69 HydrophobicContact CE2-CB 4.3Å; F21-Q69 HydrophobicContact CE2-CG 3.71Å; F21-Q69 HydrophobicContact CZ-CB 3.98Å; F21-Q69 HydrophobicContact CZ-CG 3.74Å; F21-A70 HydrophobicContact CB-CB 3.68Å; F21-A70 HydrophobicContact CD1-CB 3.89Å; F21-A70 HydrophobicContact CD2-CB 4.28Å; F21-A70 HydrophobicContact CG-CB 3.68Å; F21-D73 VanDerWaalsContact CE2-OD2 3.23Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.32Å
22I98.8Very high97Very high50 Ų5049.9 Ų49.926%0.25627%0.271SS..EExtended strand (participates in β ladder)trans-119.8134.2174.5-61.9163.3000107.9Y8 T9 R20 V24 F35Y8-I22 CarbonylContact C-O 3.58Å; Y8-I22 WeakPolarHBondContact CA-O 3.48Å; T9-I22 PolarHBondContact N-O 2.78Å; T9-I22 PolarHBondContact O-N 2.83Å; R20-I22 HydrophobicContact CG-CG1 4.33Å; I22-V24 HydrophobicContact CG2-CG1 4.48Å; I22-F35 WeakPolarHBondContact CA-O 3.49Å
23A98.8Very high97Very high0 Ų049.1 Ų49.10%027%0.265CS..EExtended strand (participates in β ladder)trans-127.6135.7171.400000110.2F7 Y8 F21 Q34 F35 Y66F7-A23 WeakPolarHBondContact O-CA 3.47Å; Y8-A23 HydrophobicContact CD1-CB 3.35Å; Y8-A23 HydrophobicContact CE1-CB 3.46Å; Y8-A23 VanDerWaalsContact CE1-CB 3.46Å; Y8-A23 HydrophobicContact CG-CB 4.29Å; F21-A23 HydrophobicContact CE1-CB 3.72Å; F21-A23 HydrophobicContact CZ-CB 3.9Å; A23-Q34 CarbonylContact O-C 3.56Å; A23-Q34 VanDerWaalsContact O-CA 3.32Å; A23-Q34 WeakPolarHBondContact O-CA 3.43Å; A23-F35 HydrophobicContact CB-CB 4.3Å; A23-F35 PolarHBondContact N-O 2.84Å; A23-F35 PolarHBondContact O-N 2.68Å; A23-Y66 HydrophobicContact CB-CD1 3.62Å; A23-Y66 HydrophobicContact CB-CE1 3.57Å
24V98.8Very high97.1Very high28 Ų2847.9 Ų47.917%0.1726%0.263CS..EExtended strand (participates in β ladder)trans-130.3145.6171.6-63.60000109.9Y6 F7 I22 Y26 V33 Q34Y6-V24 WeakPolarHBondContact CA-O 3.35Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.3Å; F7-V24 PolarHBondContact N-O 2.82Å; F7-V24 PolarHBondContact O-N 2.98Å; I22-V24 HydrophobicContact CG2-CG1 4.48Å; V24-Y26 HydrophobicContact CB-CE2 4.09Å; V24-Y26 HydrophobicContact CG2-CD2 4.33Å; V24-Y26 HydrophobicContact CG2-CE2 3.79Å; V24-V33 WeakPolarHBondContact CA-O 3.33Å; V24-Q34 HydrophobicContact CG1-CB 4.46Å; V24-Q34 HydrophobicContact CG1-CG 4.15Å
25G98.7Very high97.4Very high0 Ų045.2 Ų45.20%025%0.245CC..EExtended strand (participates in β ladder)trans-122.4139.1176.100000110.9R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.54Å; R5-G25 WeakPolarHBondContact O-CA 3.39Å; G25-Q31 WeakPolarHBondContact O-CA 3.49Å; G25-F32 WeakPolarHBondContact O-CD1 3.41Å; G25-F32 PolarHBondContact O-N 2.91Å; G25-V33 PolarHBondContact N-O 3.02Å; G25-V33 PolarHBondContact O-N 3.49Å
26Y98.8Very high97.7Very high69 Ų6942.4 Ų42.427%0.27121%0.209SC..EExtended strand (participates in β ladder)trans-125.5143.1-179.5-76.9-102.3000110.6M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.56Å; M4-Y26 WeakPolarHBondContact CA-O 3.46Å; R5-Y26 PolarHBondContact N-O 2.94Å; R5-Y26 PolarHBondContact O-N 3.29Å; F7-Y26 AromaticContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CD2-CE2 4.5Å; F7-Y26 AromaticContact CE2-CD2 3.99Å; F7-Y26 HydrophobicContact CE2-CD2 3.99Å; F7-Y26 HydrophobicContact CE2-CG 4.5Å; V24-Y26 HydrophobicContact CB-CE2 4.09Å; V24-Y26 HydrophobicContact CG2-CD2 4.33Å; V24-Y26 HydrophobicContact CG2-CE2 3.79Å; Y26-T30 WeakPolarHBondContact CA-O 3.19Å; Y26-T30 VanDerWaalsContact CD1-C 3.49Å; Y26-Q31 HydrophobicContact CD1-CB 4.04Å; Y26-Q31 VanDerWaalsContact CD1-N 3.33Å; Y26-Q31 HydrophobicContact CD2-CG 4.36Å; Y26-Q31 HydrophobicContact CE1-CB 3.54Å; Y26-Q31 HydrophobicContact CE1-CG 4.25Å; Y26-Q31 HydrophobicContact CE2-CB 4.07Å; Y26-Q31 HydrophobicContact CE2-CG 3.84Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å
27V98.6Very high97.9Very high0 Ų034.1 Ų34.10%018%0.183CC..EExtended strand (participates in β ladder)trans-111.4118.1156.31770000106.2S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.57Å; S3-V27 VanDerWaalsContact O-CA 3.29Å; S3-V27 WeakPolarHBondContact O-CA 3.46Å; M4-V27 HydrophobicContact CG-CG2 4.37Å; V27-D29 PolarHBondContact O-N 3.28Å; V27-T30 PolarHBondContact N-O 2.84Å; V27-T30 WeakPolarHBondContact O-CB 3.4Å; V27-T30 PolarHBondContact O-N 2.83Å; V27-F32 HydrophobicContact CG2-CD1 4.05Å; V27-F32 HydrophobicContact CG2-CE1 4.13Å; V27-W50 HydrophobicContact CB-CH2 4.46Å; V27-W50 HydrophobicContact CB-CZ2 4.46Å; V27-W50 HydrophobicContact CG2-CH2 3.88Å; V27-W50 HydrophobicContact CG2-CZ2 4.36Å; V27-L167 HydrophobicContact CG1-CD1 3.59Å; V27-L167 HydrophobicContact CG2-CD1 4.21Å; V27-Y170 HydrophobicContact CG2-CD2 3.96Å; V27-Y170 HydrophobicContact CG2-CG 4.47Å; V27-L171 HydrophobicContact CG1-CD2 4.11Å; V27-L178 HydrophobicContact CB-CD1 4.3Å; V27-L178 HydrophobicContact CB-CD2 4.17Å; V27-L178 HydrophobicContact CG1-CD1 3.92Å; V27-L178 HydrophobicContact CG1-CD2 4.09Å
28D97.6Very high98.2Very high31 Ų3134.6 Ų34.617%0.16617%0.172CC..THydrogen-bonded Turntrans49.1-125.2-166.4-51.6-42.3000110.6H2 S3 T30H2-D28 WeakPolarHBondContact CA-OD1 3.34Å; H2-D28 IonicContact CE1-OD2 3.24Å; H2-D28 IonicContact CG-OD2 3.43Å; H2-D28 IonicContact ND1-OD1 3.13Å; H2-D28 IonicContact ND1-OD2 2.61Å; H2-D28 PolarHBondContact ND1-OD2 2.92Å; S3-D28 PolarHBondContact N-OD1 2.62Å; S3-D28 PolarHBondContact O-N 3.46Å; D28-T30 VanDerWaalsContact C-N 3.33Å
29D97.6Very high98.3Very high65 Ų6532.1 Ų32.135%0.34817%0.167SC..THydrogen-bonded Turntrans-929.1178.4-62.8-49000113.5V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 3.28Å; D29-Y208 HydrophobicContact CB-CE2 3.87Å; D29-P209 WeakPolarHBondContact OD2-CB 3.37Å; D29-A210 WeakPolarHBondContact OD2-CB 3.37Å; D29-A210 PolarHBondContact OD2-N 3.33Å; D29-F240 HydrophobicContact CB-CE2 3.84Å; D29-F240 HydrophobicContact CB-CZ 3.77Å
30T98Very high98.3Very high31 Ų3136.3 Ų36.319%0.1921%0.205CC..EExtended strand (participates in β ladder)trans-102.8112.5-178.4-60.30000111.7Y26 V27 D28 F32 A48 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.19Å; Y26-T30 VanDerWaalsContact CD1-C 3.49Å; V27-T30 PolarHBondContact N-O 2.84Å; V27-T30 WeakPolarHBondContact O-CB 3.4Å; V27-T30 PolarHBondContact O-N 2.83Å; D28-T30 VanDerWaalsContact C-N 3.33Å; T30-F32 PolarHBondContact O-N 2.89Å; T30-A48 HydrophobicContact CG2-CB 4.45Å; T30-L178 HydrophobicContact CG2-CD2 4.05Å; T30-Y208 PolarHBondContact OG1-OH 3.09Å
31Q98.3Very high98.2Very high53 Ų5335.6 Ų35.625%0.24821%0.214CC..EExtended strand (participates in β ladder)trans-68.1131.5171.9-166.1-176.9-7.100110.3G25 Y26 V33 R47G25-Q31 WeakPolarHBondContact O-CA 3.49Å; Y26-Q31 HydrophobicContact CD1-CB 4.04Å; Y26-Q31 VanDerWaalsContact CD1-N 3.33Å; Y26-Q31 HydrophobicContact CD2-CG 4.36Å; Y26-Q31 HydrophobicContact CE1-CB 3.54Å; Y26-Q31 HydrophobicContact CE1-CG 4.25Å; Y26-Q31 HydrophobicContact CE2-CB 4.07Å; Y26-Q31 HydrophobicContact CE2-CG 3.84Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å; Q31-V33 PolarHBondContact NE2-O 3.26Å; Q31-R47 HydrophobicContact CG-CB 4.19Å; Q31-R47 HydrophobicContact CG-CG 4.45Å; Q31-R47 CarbonylContact O-C 3.53Å
32F98.4Very high98.1Very high0 Ų037 Ų370%022%0.224CC..EExtended strand (participates in β ladder)trans-122.7-19.6-179.976-88.9000114.6M4 Y6 G25 V27 T30 R47 A48 W50 V51 Y170M4-F32 HydrophobicContact CG-CE1 4.46Å; M4-F32 HydrophobicContact SD-CZ 4.44Å; Y6-F32 HydrophobicContact CE1-CZ 4.09Å; Y6-F32 AromaticContact CZ-CZ 3.83Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.23Å; G25-F32 WeakPolarHBondContact O-CD1 3.41Å; G25-F32 PolarHBondContact O-N 2.91Å; V27-F32 HydrophobicContact CG2-CD1 4.05Å; V27-F32 HydrophobicContact CG2-CE1 4.13Å; T30-F32 PolarHBondContact O-N 2.89Å; F32-R47 PolarHBondContact O-N 2.68Å; F32-A48 HydrophobicContact CB-CB 4.03Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.35Å; F32-W50 HydrophobicContact CB-CZ3 3.94Å; F32-W50 AromaticContact CD1-CH2 3.92Å; F32-W50 HydrophobicContact CD1-CH2 3.92Å; F32-W50 AromaticContact CD2-CH2 3.91Å; F32-W50 HydrophobicContact CD2-CH2 3.91Å; F32-W50 HydrophobicContact CD2-CZ3 4.17Å; F32-W50 AromaticContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CH2 3.4Å; F32-W50 VanDerWaalsContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CZ2 4.1Å; F32-W50 HydrophobicContact CG-CZ3 4.12Å; F32-V51 HydrophobicContact CB-CG1 4.4Å; F32-V51 HydrophobicContact CD2-CB 4.4Å; F32-V51 HydrophobicContact CD2-CG1 4.46Å; F32-V51 HydrophobicContact CD2-CG2 4.1Å; F32-V51 VanDerWaalsContact O-CG1 3.26Å; F32-V51 WeakPolarHBondContact O-CG1 3.41Å; F32-Y170 AromaticContact CE2-CE2 3.88Å; F32-Y170 HydrophobicContact CE2-CE2 3.88Å; F32-Y170 AromaticContact CE2-CZ 4Å; F32-Y170 HydrophobicContact CZ-CD2 4.5Å; F32-Y170 AromaticContact CZ-CE2 3.87Å; F32-Y170 HydrophobicContact CZ-CE2 3.87Å
33V98.4Very high98Very high0 Ų041.6 Ų41.60%024%0.238CC..EExtended strand (participates in β ladder)trans-142.8149.1179.464.10000111.6Y6 V24 G25 Q31 E45 W59 Y66Y6-V33 HydrophobicContact CE1-CG1 4.07Å; V24-V33 WeakPolarHBondContact CA-O 3.33Å; G25-V33 PolarHBondContact N-O 3.02Å; G25-V33 PolarHBondContact O-N 3.49Å; Q31-V33 PolarHBondContact NE2-O 3.26Å; V33-E45 WeakPolarHBondContact CA-O 3.44Å; V33-W59 HydrophobicContact CG2-CZ3 3.97Å; V33-Y66 HydrophobicContact CG2-CE2 4.27Å
34Q98.3Very high98Very high50 Ų5041.8 Ų41.823%0.23424%0.24CC..EExtended strand (participates in β ladder)trans-138.1148.6170.2-175.7172.77.400111.2A23 V24 G44 E45 R47A23-Q34 CarbonylContact O-C 3.56Å; A23-Q34 VanDerWaalsContact O-CA 3.32Å; A23-Q34 WeakPolarHBondContact O-CA 3.43Å; V24-Q34 HydrophobicContact CG1-CB 4.46Å; V24-Q34 HydrophobicContact CG1-CG 4.15Å; Q34-G44 WeakPolarHBondContact O-CA 3.25Å; Q34-E45 PolarHBondContact N-O 2.87Å; Q34-E45 PolarHBondContact O-N 2.02Å; Q34-R47 HydrophobicContact CB-CG 3.94Å; Q34-R47 VanDerWaalsContact OE1-NH2 3.13Å
35F98.8Very high97.9Very high4 Ų443.5 Ų43.52%0.01825%0.246CC..EExtended strand (participates in β ladder)trans-137.9139.9165.7175.6-82.3000108.9F21 I22 A23 P42 R43 Y66 K67F21-F35 AromaticContact CD1-CD1 3.72Å; F21-F35 HydrophobicContact CD1-CD1 3.72Å; F21-F35 AromaticContact CD1-CE1 3.78Å; F21-F35 HydrophobicContact CD1-CE1 3.78Å; F21-F35 AromaticContact CE1-CD1 3.92Å; F21-F35 HydrophobicContact CE1-CD1 3.92Å; F21-F35 HydrophobicContact CE1-CE1 4.27Å; I22-F35 WeakPolarHBondContact CA-O 3.49Å; A23-F35 HydrophobicContact CB-CB 4.3Å; A23-F35 PolarHBondContact N-O 2.84Å; A23-F35 PolarHBondContact O-N 2.68Å; F35-P42 HydrophobicContact CE2-CB 3.81Å; F35-P42 HydrophobicContact CZ-CB 3.64Å; F35-R43 VanDerWaalsContact CD2-C 3.49Å; F35-R43 WeakPolarHBondContact CD2-O 3.2Å; F35-Y66 HydrophobicContact CB-CD1 4.33Å; F35-Y66 HydrophobicContact CB-CD2 3.58Å; F35-Y66 HydrophobicContact CB-CE2 4.03Å; F35-Y66 HydrophobicContact CB-CG 3.76Å; F35-Y66 HydrophobicContact CD1-CG 4.32Å; F35-Y66 AromaticContact CD2-CD2 3.75Å; F35-Y66 HydrophobicContact CD2-CD2 3.75Å; F35-Y66 AromaticContact CD2-CG 3.96Å; F35-Y66 HydrophobicContact CD2-CG 3.96Å; F35-Y66 AromaticContact CG-CD2 3.81Å; F35-Y66 HydrophobicContact CG-CD2 3.81Å; F35-Y66 AromaticContact CG-CG 3.76Å; F35-Y66 HydrophobicContact CG-CG 3.76Å; F35-K67 HydrophobicContact CE2-CG 4.21Å; F35-K67 HydrophobicContact CZ-CG 4Å
36D98.6Very high97.9Very high29 Ų2945.9 Ų45.916%0.15526%0.261CS..EExtended strand (participates in β ladder)trans-136123.6174-171.5-10.1000109.6R20 D38 A39R20-D36 IonicContact CZ-OD1 3.72Å; R20-D36 IonicContact CZ-OD2 3.51Å; R20-D36 IonicContact NE-OD1 3.83Å; R20-D36 PolarHBondContact NE-OD1 3.09Å; R20-D36 IonicContact NE-OD2 3.47Å; R20-D36 PolarHBondContact NE-OD2 2.97Å; R20-D36 IonicContact NH2-OD1 3.16Å; R20-D36 IonicContact NH2-OD2 2.68Å; R20-D36 PolarHBondContact NH2-OD2 3.19Å; D36-D38 PolarHBondContact O-N 3.45Å; D36-D38 PolarHBondContact OD1-N 2.84Å; D36-A39 HydrophobicContact CB-CB 4.49Å; D36-A39 WeakPolarHBondContact O-CB 2.93Å; D36-A39 PolarHBondContact O-N 3.43Å
37S98.3Very high97.8Very high34 Ų3448.2 Ų48.224%0.23827%0.27CS..THydrogen-bonded Turntrans-66.7-21.7178.667.70000113.5R20 F21 P42R20-S37 WeakPolarHBondContact CA-OG 3.13Å; F21-S37 PolarHBondContact N-OG 3.01Å; F21-S37 PolarHBondContact O-N 3.12Å; F21-S37 PolarHBondContact O-OG 3.34Å; S37-P42 WeakPolarHBondContact O-CG 3.31Å
38D97.8Very high97.7Very high65 Ų6548.4 Ų48.435%0.34827%0.271SS..THydrogen-bonded Turntrans-87.9-4.4180-78.18.6000113.1R13 R20 D36R13-D38 IonicContact CZ-OD1 3.28Å; R13-D38 IonicContact CZ-OD2 2.92Å; R13-D38 IonicContact NH1-OD1 3.23Å; R13-D38 IonicContact NH1-OD2 2.92Å; R13-D38 PolarHBondContact NH1-OD2 2.96Å; R13-D38 IonicContact NH2-OD1 3.07Å; R13-D38 PolarHBondContact NH2-OD1 3.41Å; R13-D38 IonicContact NH2-OD2 3.28Å; R13-D38 PolarHBondContact NH2-OD2 3.09Å; R20-D38 VanDerWaalsContact CD-OD2 3.24Å; R20-D38 WeakPolarHBondContact CD-OD2 3.43Å; R20-D38 HydrophobicContact CG-CB 4.32Å; R20-D38 IonicContact NE-OD2 3.68Å; D36-D38 PolarHBondContact O-N 3.45Å; D36-D38 PolarHBondContact OD1-N 2.84Å
39A97.2Very high97.7Very high38 Ų3851.9 Ų51.931%0.31430%0.296SS..SBendtrans-61.9149.8172.900000110.8D36 S41 P42D36-A39 HydrophobicContact CB-CB 4.49Å; D36-A39 WeakPolarHBondContact O-CB 2.93Å; D36-A39 PolarHBondContact O-N 3.43Å; A39-S41 PolarHBondContact O-N 3.42Å; A39-S41 VanDerWaalsContact O-N 3.16Å; A39-P42 WeakPolarHBondContact O-CD 3.03Å; A39-P42 VanDerWaalsContact O-CG 3.29Å; A39-P42 WeakPolarHBondContact O-CG 3.39Å
40A96.8Very high97.6Very high117 Ų11749.5 Ų49.597%0.96728%0.282SS*.SBendtrans-58.1-32.6179.800000113.1
41S96.6Very high97.6Very high81 Ų8148 Ų4857%0.56627%0.273SS*.SBendtrans-134.986.4172.5173.40000109.6A39 R43A39-S41 PolarHBondContact O-N 3.42Å; A39-S41 VanDerWaalsContact O-N 3.16Å; S41-R43 PolarHBondContact O-N 3.15Å; S41-R43 VanDerWaalsContact O-N 3.13Å
42P97.1Very high97.5Very high32 Ų3251.3 Ų51.321%0.20829%0.288CS..  trans-61.4115.9-174.2-25.135.9000112.5F35 S37 A39 K67F35-P42 HydrophobicContact CE2-CB 3.81Å; F35-P42 HydrophobicContact CZ-CB 3.64Å; S37-P42 WeakPolarHBondContact O-CG 3.31Å; A39-P42 WeakPolarHBondContact O-CD 3.03Å; A39-P42 VanDerWaalsContact O-CG 3.29Å; A39-P42 WeakPolarHBondContact O-CG 3.39Å; P42-K67 WeakPolarHBondContact O-CE 3.21Å; P42-K67 PolarHBondContact O-NZ 3.33Å
43R97.7Very high97.3Very high146 Ų14657 Ų5755%0.55132%0.315SS*.  trans-147.2159177.764-176.3175.8-174.90.8110.6F35 S41 E45 T63F35-R43 VanDerWaalsContact CD2-C 3.49Å; F35-R43 WeakPolarHBondContact CD2-O 3.2Å; S41-R43 PolarHBondContact O-N 3.15Å; S41-R43 VanDerWaalsContact O-N 3.13Å; R43-E45 HydrophobicContact CG-CG 4.05Å; R43-E45 PolarHBondContact O-N 3.34Å; R43-T63 HydrophobicContact CB-CG2 4.21Å
44G97.4Very high97.2Very high5 Ų557.6 Ų57.65%0.05232%0.318CS..  trans-67.3126.9167.600000109.1Q34 T63Q34-G44 WeakPolarHBondContact O-CA 3.25Å; G44-T63 PolarHBondContact N-OG1 2.98Å
45E97.7Very high97.1Very high63 Ų6356.9 Ų56.929%0.29432%0.324SS..EExtended strand (participates in β ladder)trans-116134.6-178.1-63.7-174.6152.400110.2V33 Q34 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.44Å; Q34-E45 PolarHBondContact N-O 2.87Å; Q34-E45 PolarHBondContact O-N 2.02Å; R43-E45 HydrophobicContact CG-CG 4.05Å; R43-E45 PolarHBondContact O-N 3.34Å; E45-R47 IonicContact OE2-CZ 2.72Å; E45-R47 IonicContact OE2-NH2 2.62Å; E45-R47 PolarHBondContact OE2-NH2 3.2Å
46P98Very high97Very high50 Ų5061.4 Ų61.433%0.32535%0.354SS..EExtended strand (participates in β ladder)trans-66.1141.6173.928.4-33.8000110.7V51 E52 W59P46-V51 HydrophobicContact CB-CG1 3.77Å; P46-E52 HydrophobicContact CB-CG 3.75Å; P46-E52 HydrophobicContact CG-CG 4Å; P46-W59 HydrophobicContact CB-CH2 3.66Å; P46-W59 HydrophobicContact CB-CZ2 3.76Å; P46-W59 HydrophobicContact CG-CH2 4.3Å; P46-W59 HydrophobicContact CG-CZ2 4.24Å
47R97.7Very high96.9Very high118 Ų11868 Ų6845%0.44538%0.384SS..  trans-124.60.4174.2-61-65.1175.9-171.3-7113Q31 F32 Q34 E45Q31-R47 HydrophobicContact CG-CB 4.19Å; Q31-R47 HydrophobicContact CG-CG 4.45Å; Q31-R47 CarbonylContact O-C 3.53Å; F32-R47 PolarHBondContact O-N 2.68Å; Q34-R47 HydrophobicContact CB-CG 3.94Å; Q34-R47 VanDerWaalsContact OE1-NH2 3.13Å; E45-R47 IonicContact OE2-CZ 2.72Å; E45-R47 IonicContact OE2-NH2 2.62Å; E45-R47 PolarHBondContact OE2-NH2 3.2Å
48A96.6Very high96.9Very high4 Ų466.9 Ų66.93%0.03337%0.374CS..SBendtrans-137.9142.6173.400000111.2T30 F32 W50 V51T30-A48 HydrophobicContact CG2-CB 4.45Å; F32-A48 HydrophobicContact CB-CB 4.03Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 HydrophobicContact CB-CD2 4.16Å; A48-W50 HydrophobicContact CB-CG 4.38Å; A48-W50 HydrophobicContact CB-CZ2 3.98Å; A48-W50 PolarHBondContact O-N 2.92Å; A48-V51 WeakPolarHBondContact O-CG1 3.36Å; A48-V51 PolarHBondContact O-N 2.89Å
49P96.4Very high96.9Very high105 Ų10565.7 Ų65.768%0.68237%0.365SS*.Hα-helixtrans-58.7-35.4-176.7-26.634.6000114.1V51 E52P49-V51 PolarHBondContact O-N 2.9Å; P49-E52 WeakPolarHBondContact O-CB 3.45Å; P49-E52 PolarHBondContact O-N 2.74Å
50W96.4Very high96.9Very high15 Ų1569 Ų696%0.05738%0.377CS..Hα-helixtrans-71.7-12.9-175.953.4-106000114.2V27 F32 A48 Q53 Y170 N173 L178V27-W50 HydrophobicContact CB-CH2 4.46Å; V27-W50 HydrophobicContact CB-CZ2 4.46Å; V27-W50 HydrophobicContact CG2-CH2 3.88Å; V27-W50 HydrophobicContact CG2-CZ2 4.36Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.35Å; F32-W50 HydrophobicContact CB-CZ3 3.94Å; F32-W50 AromaticContact CD1-CH2 3.92Å; F32-W50 HydrophobicContact CD1-CH2 3.92Å; F32-W50 AromaticContact CD2-CH2 3.91Å; F32-W50 HydrophobicContact CD2-CH2 3.91Å; F32-W50 HydrophobicContact CD2-CZ3 4.17Å; F32-W50 AromaticContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CH2 3.4Å; F32-W50 VanDerWaalsContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CZ2 4.1Å; F32-W50 HydrophobicContact CG-CZ3 4.12Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 HydrophobicContact CB-CD2 4.16Å; A48-W50 HydrophobicContact CB-CG 4.38Å; A48-W50 HydrophobicContact CB-CZ2 3.98Å; A48-W50 PolarHBondContact O-N 2.92Å; W50-Q53 WeakPolarHBondContact O-CG 3.34Å; W50-Y170 HydrophobicContact CE3-CD1 4.11Å; W50-Y170 HydrophobicContact CE3-CG 4.37Å; W50-Y170 HydrophobicContact CH2-CD1 4.42Å; W50-Y170 HydrophobicContact CH2-CD2 4.41Å; W50-Y170 HydrophobicContact CH2-CG 4.04Å; W50-Y170 AromaticContact CZ3-CD1 3.48Å; W50-Y170 HydrophobicContact CZ3-CD1 3.48Å; W50-Y170 VanDerWaalsContact CZ3-CD1 3.48Å; W50-Y170 HydrophobicContact CZ3-CD2 4.2Å; W50-Y170 HydrophobicContact CZ3-CE1 4.15Å; W50-Y170 AromaticContact CZ3-CG 3.5Å; W50-Y170 HydrophobicContact CZ3-CG 3.5Å; W50-N173 HydrophobicContact CB-CB 4.36Å; W50-L178 HydrophobicContact CD2-CD1 4.4Å; W50-L178 HydrophobicContact CH2-CD1 4.46Å; W50-L178 HydrophobicContact CZ2-CD1 3.87Å; W50-L178 HydrophobicContact CZ2-CD2 4.23Å; W50-L178 HydrophobicContact CZ2-CG 4.5Å
51V97.2Very high96.9Very high0 Ų068.4 Ų68.40%035%0.35CS..Hα-helixtrans-94.7-15.8173.3730000112.2F32 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-V51 HydrophobicContact CB-CG1 4.4Å; F32-V51 HydrophobicContact CD2-CB 4.4Å; F32-V51 HydrophobicContact CD2-CG1 4.46Å; F32-V51 HydrophobicContact CD2-CG2 4.1Å; F32-V51 VanDerWaalsContact O-CG1 3.26Å; F32-V51 WeakPolarHBondContact O-CG1 3.41Å; P46-V51 HydrophobicContact CB-CG1 3.77Å; A48-V51 WeakPolarHBondContact O-CG1 3.36Å; A48-V51 PolarHBondContact O-N 2.89Å; P49-V51 PolarHBondContact O-N 2.9Å; V51-Q53 PolarHBondContact O-N 3.04Å; V51-E54 HydrophobicContact CG2-CG 3.9Å; V51-E54 WeakPolarHBondContact O-CB 3.22Å; V51-E54 WeakPolarHBondContact O-CG 3.44Å; V51-E54 PolarHBondContact O-N 3.31Å; V51-Y58 HydrophobicContact CG2-CE1 4.13Å; V51-W59 HydrophobicContact CG1-CH2 3.99Å; V51-W59 HydrophobicContact CG1-CZ2 4.16Å; V51-W59 HydrophobicContact CG2-CH2 3.96Å; V51-W59 HydrophobicContact CG2-CZ2 3.96Å; V51-W59 WeakPolarHBondContact O-CZ2 3.35Å; V51-Y170 HydrophobicContact CG2-CE1 4.35Å
52E95.6Very high97Very high122 Ų12265 Ų6557%0.5733%0.325SS*.Hα-helixtrans-63.6-25.4179.7-65.7179.7-174.400112.9P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.75Å; P46-E52 HydrophobicContact CG-CG 4Å; P49-E52 WeakPolarHBondContact O-CB 3.45Å; P49-E52 PolarHBondContact O-N 2.74Å; E52-E54 PolarHBondContact O-N 3Å
53Q95Very high97Very high119 Ų11964 Ų6456%0.55632%0.319SS*.THydrogen-bonded Turntrans-71.2-10.9175.267179.620.400114W50 V51 N173W50-Q53 WeakPolarHBondContact O-CG 3.34Å; V51-Q53 PolarHBondContact O-N 3.04Å; Q53-N173 VanDerWaalsContact NE2-CB 3.3Å; Q53-N173 PolarHBondContact NE2-ND2 3.32Å; Q53-N173 PolarHBondContact NE2-OD1 3.22Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.11Å
54E96.6Very high97.1Very high12 Ų1262 Ų626%0.05632%0.315CS..SBendtrans-67.5134.9173.6-62.7-60.6161.800110.4V51 E52 Y58 W59 R169 N173V51-E54 HydrophobicContact CG2-CG 3.9Å; V51-E54 WeakPolarHBondContact O-CB 3.22Å; V51-E54 WeakPolarHBondContact O-CG 3.44Å; V51-E54 PolarHBondContact O-N 3.31Å; E52-E54 PolarHBondContact O-N 3Å; E54-Y58 HydrophobicContact CB-CD1 3.54Å; E54-Y58 HydrophobicContact CB-CD2 4.47Å; E54-Y58 HydrophobicContact CB-CE1 4.14Å; E54-Y58 HydrophobicContact CB-CG 3.74Å; E54-Y58 HydrophobicContact CG-CD1 4.11Å; E54-Y58 HydrophobicContact CG-CD2 4.49Å; E54-Y58 HydrophobicContact CG-CE1 4.29Å; E54-Y58 HydrophobicContact CG-CG 4.22Å; E54-W59 PolarHBondContact O-NE1 2.86Å; E54-W59 VanDerWaalsContact O-NE1 3.12Å; E54-R169 IonicContact OE1-CZ 3.11Å; E54-R169 IonicContact OE1-NE 3.23Å; E54-R169 PolarHBondContact OE1-NE 2.85Å; E54-R169 IonicContact OE1-NH2 2.76Å; E54-R169 PolarHBondContact OE1-NH2 3.02Å; E54-R169 IonicContact OE2-CZ 3.86Å; E54-R169 IonicContact OE2-NE 3.78Å; E54-R169 PolarHBondContact OE2-NE 3.38Å; E54-R169 IonicContact OE2-NH2 2.67Å; E54-R169 PolarHBondContact OE2-NH2 2.9Å; E54-N173 PolarHBondContact OE1-ND2 3.22Å
55G95.6Very high97.1Very high36 Ų3665 Ų6537%0.37133%0.327SS..  trans-69.2170.1-174.100000114.4E57 Y58 W59G55-E57 PolarHBondContact O-N 2.95Å; G55-Y58 WeakPolarHBondContact O-CB 3.4Å; G55-Y58 PolarHBondContact O-N 3.02Å; G55-W59 PolarHBondContact O-N 3.16Å
56P96.6Very high97.1Very high99 Ų9962 Ų6264%0.64331%0.313SS*.Hα-helixtrans-57.4-35.8-178.422.7-33.4000113.1Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 2.8Å; P56-W59 PolarHBondContact O-N 2.81Å; P56-W59 VanDerWaalsContact O-N 3.13Å; P56-D60 WeakPolarHBondContact O-CB 3.31Å; P56-D60 PolarHBondContact O-N 2.94Å
57E97.3Very high97.1Very high167 Ų16763.7 Ų63.778%0.7832%0.315SS*.Hα-helixtrans-59.8-35.4178-62.8175.1177.300112.9G55 R61G55-E57 PolarHBondContact O-N 2.95Å; E57-R61 WeakPolarHBondContact O-CB 3.29Å; E57-R61 PolarHBondContact O-N 2.81Å
58Y97.4Very high97.1Very high11 Ų1165.7 Ų65.74%0.04332%0.323CS..Hα-helixtrans-64.7-51.3174.7168.8-91.9000110.2V51 E54 G55 P56 D60 R61 E62 W166 Y170V51-Y58 HydrophobicContact CG2-CE1 4.13Å; E54-Y58 HydrophobicContact CB-CD1 3.54Å; E54-Y58 HydrophobicContact CB-CD2 4.47Å; E54-Y58 HydrophobicContact CB-CE1 4.14Å; E54-Y58 HydrophobicContact CB-CG 3.74Å; E54-Y58 HydrophobicContact CG-CD1 4.11Å; E54-Y58 HydrophobicContact CG-CD2 4.49Å; E54-Y58 HydrophobicContact CG-CE1 4.29Å; E54-Y58 HydrophobicContact CG-CG 4.22Å; G55-Y58 WeakPolarHBondContact O-CB 3.4Å; G55-Y58 PolarHBondContact O-N 3.02Å; P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 2.8Å; Y58-D60 PolarHBondContact O-N 3.36Å; Y58-R61 PolarHBondContact O-N 2.93Å; Y58-E62 HydrophobicContact CD1-CG 4.43Å; Y58-E62 HydrophobicContact CD2-CG 4.23Å; Y58-E62 HydrophobicContact CE1-CG 4.04Å; Y58-E62 HydrophobicContact CE2-CG 3.81Å; Y58-E62 WeakPolarHBondContact O-CG 3.35Å; Y58-E62 PolarHBondContact O-N 2.96Å; Y58-W166 AromaticContact CD2-CH2 3.5Å; Y58-W166 HydrophobicContact CD2-CH2 3.5Å; Y58-W166 VanDerWaalsContact CD2-CH2 3.5Å; Y58-W166 HydrophobicContact CD2-CZ2 4.19Å; Y58-W166 AromaticContact CD2-CZ3 3.78Å; Y58-W166 HydrophobicContact CD2-CZ3 3.78Å; Y58-W166 HydrophobicContact CE2-CE3 4.2Å; Y58-W166 AromaticContact CE2-CH2 3.83Å; Y58-W166 HydrophobicContact CE2-CH2 3.83Å; Y58-W166 HydrophobicContact CE2-CZ2 4.45Å; Y58-W166 AromaticContact CE2-CZ3 3.68Å; Y58-W166 HydrophobicContact CE2-CZ3 3.68Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.38Å; Y58-Y170 PolarHBondContact OH-OH 2.95Å
59W97.9Very high97.2Very high39 Ų3966.9 Ų66.915%0.14833%0.328CS..Hα-helixtrans-64.9-38.8-177.9-67.2111.7000112.9V33 P46 V51 E54 G55 P56 T63V33-W59 HydrophobicContact CG2-CZ3 3.97Å; P46-W59 HydrophobicContact CB-CH2 3.66Å; P46-W59 HydrophobicContact CB-CZ2 3.76Å; P46-W59 HydrophobicContact CG-CH2 4.3Å; P46-W59 HydrophobicContact CG-CZ2 4.24Å; V51-W59 HydrophobicContact CG1-CH2 3.99Å; V51-W59 HydrophobicContact CG1-CZ2 4.16Å; V51-W59 HydrophobicContact CG2-CH2 3.96Å; V51-W59 HydrophobicContact CG2-CZ2 3.96Å; V51-W59 WeakPolarHBondContact O-CZ2 3.35Å; E54-W59 PolarHBondContact O-NE1 2.86Å; E54-W59 VanDerWaalsContact O-NE1 3.12Å; G55-W59 PolarHBondContact O-N 3.16Å; P56-W59 PolarHBondContact O-N 2.81Å; P56-W59 VanDerWaalsContact O-N 3.13Å; W59-T63 WeakPolarHBondContact O-CB 3.29Å; W59-T63 PolarHBondContact O-N 3.47Å; W59-T63 PolarHBondContact O-OG1 3.28Å
60D97.9Very high97.3Very high107 Ų10762.8 Ų62.857%0.57230%0.303SS*.Hα-helixtrans-63.6-46.9174.3-74.6-23000110.7P56 Y58 T63 Q64P56-D60 WeakPolarHBondContact O-CB 3.31Å; P56-D60 PolarHBondContact O-N 2.94Å; Y58-D60 PolarHBondContact O-N 3.36Å; D60-T63 PolarHBondContact O-N 2.95Å; D60-Q64 VanDerWaalsContact O-CG 3.28Å; D60-Q64 WeakPolarHBondContact O-CG 3.4Å; D60-Q64 PolarHBondContact O-N 3.07Å
61R97.3Very high97.4Very high106 Ų10667.3 Ų67.340%0.432%0.324SS..Hα-helixtrans-62.6-46.3178.8-173.1-176.569.4-165.2-3.2112.2E57 Y58 Q64 K65E57-R61 WeakPolarHBondContact O-CB 3.29Å; E57-R61 PolarHBondContact O-N 2.81Å; Y58-R61 PolarHBondContact O-N 2.93Å; R61-Q64 PolarHBondContact O-N 3.5Å; R61-K65 WeakPolarHBondContact O-CG 3.33Å; R61-K65 PolarHBondContact O-N 2.81Å
62E97.3Very high97.4Very high9 Ų970.9 Ų70.94%0.04235%0.346CS..Hα-helixtrans-66.2-41.9178.4-65.4-44117.100111.2Y58 Q64 K65 Y66Y58-E62 HydrophobicContact CD1-CG 4.43Å; Y58-E62 HydrophobicContact CD2-CG 4.23Å; Y58-E62 HydrophobicContact CE1-CG 4.04Å; Y58-E62 HydrophobicContact CE2-CG 3.81Å; Y58-E62 WeakPolarHBondContact O-CG 3.35Å; Y58-E62 PolarHBondContact O-N 2.96Å; E62-Q64 VanDerWaalsContact C-N 3.33Å; E62-Q64 PolarHBondContact O-N 2.86Å; E62-K65 WeakPolarHBondContact O-CB 3.37Å; E62-K65 PolarHBondContact O-N 2.66Å; E62-K65 VanDerWaalsContact O-N 3.12Å; E62-K65 IonicContact OE1-NZ 2.76Å; E62-K65 PolarHBondContact OE1-NZ 2.63Å; E62-K65 WeakPolarHBondContact OE2-CD 3.41Å; E62-K65 IonicContact OE2-NZ 2.96Å; E62-Y66 HydrophobicContact CB-CE2 4.05Å; E62-Y66 WeakPolarHBondContact O-CD2 3.41Å; E62-Y66 PolarHBondContact O-N 3.21Å
63T98.3Very high97.5Very high12 Ų1265.2 Ų65.27%0.07432%0.32CS..Hα-helixtrans-56.8-45.5174-64.50000112R43 G44 W59 D60 K65 Y66 K67R43-T63 HydrophobicContact CB-CG2 4.21Å; G44-T63 PolarHBondContact N-OG1 2.98Å; W59-T63 WeakPolarHBondContact O-CB 3.29Å; W59-T63 PolarHBondContact O-N 3.47Å; W59-T63 PolarHBondContact O-OG1 3.28Å; D60-T63 PolarHBondContact O-N 2.95Å; T63-K65 VanDerWaalsContact C-N 3.35Å; T63-K65 PolarHBondContact O-N 2.97Å; T63-Y66 PolarHBondContact O-N 3.23Å; T63-K67 HydrophobicContact CG2-CD 4.18Å; T63-K67 WeakPolarHBondContact O-CG 3.21Å; T63-K67 PolarHBondContact O-N 2.95Å
64Q98.1Very high97.7Very high103 Ų10362.5 Ų62.548%0.48131%0.305SS..Hα-helixtrans-67.4-34.5177.8-68.4-60.2-24.400112.5D60 R61 E62 R68D60-Q64 VanDerWaalsContact O-CG 3.28Å; D60-Q64 WeakPolarHBondContact O-CG 3.4Å; D60-Q64 PolarHBondContact O-N 3.07Å; R61-Q64 PolarHBondContact O-N 3.5Å; E62-Q64 VanDerWaalsContact C-N 3.33Å; E62-Q64 PolarHBondContact O-N 2.86Å; Q64-R68 WeakPolarHBondContact O-CB 3.49Å; Q64-R68 WeakPolarHBondContact O-CG 3.47Å; Q64-R68 PolarHBondContact O-N 2.8Å
65K97.3Very high97.7Very high68 Ų6865.4 Ų65.430%0.29632%0.323SS..Hα-helixtrans-62.3-48.1172.3-74.4171178.51740111.3R61 E62 T63 K67 R68 Q69R61-K65 WeakPolarHBondContact O-CG 3.33Å; R61-K65 PolarHBondContact O-N 2.81Å; E62-K65 WeakPolarHBondContact O-CB 3.37Å; E62-K65 PolarHBondContact O-N 2.66Å; E62-K65 VanDerWaalsContact O-N 3.12Å; E62-K65 IonicContact OE1-NZ 2.76Å; E62-K65 PolarHBondContact OE1-NZ 2.63Å; E62-K65 WeakPolarHBondContact OE2-CD 3.41Å; E62-K65 IonicContact OE2-NZ 2.96Å; T63-K65 VanDerWaalsContact C-N 3.35Å; T63-K65 PolarHBondContact O-N 2.97Å; K65-K67 PolarHBondContact O-N 3Å; K65-R68 PolarHBondContact O-N 3.25Å; K65-Q69 PolarHBondContact O-N 3.21Å
66Y98.4Very high97.8Very high0 Ų065.4 Ų65.40%032%0.318CS..Hα-helixtrans-61.6-43.8177.9-63.8-50.8000112.3Y8 F21 A23 V33 F35 E62 T63 R68 Q69 A70Y8-Y66 HydrophobicContact CE1-CD1 4.3Å; Y8-Y66 AromaticContact CE1-CE1 3.88Å; Y8-Y66 HydrophobicContact CE1-CE1 3.88Å; F21-Y66 HydrophobicContact CE1-CD1 4.28Å; A23-Y66 HydrophobicContact CB-CD1 3.62Å; A23-Y66 HydrophobicContact CB-CE1 3.57Å; V33-Y66 HydrophobicContact CG2-CE2 4.27Å; F35-Y66 HydrophobicContact CB-CD1 4.33Å; F35-Y66 HydrophobicContact CB-CD2 3.58Å; F35-Y66 HydrophobicContact CB-CE2 4.03Å; F35-Y66 HydrophobicContact CB-CG 3.76Å; F35-Y66 HydrophobicContact CD1-CG 4.32Å; F35-Y66 AromaticContact CD2-CD2 3.75Å; F35-Y66 HydrophobicContact CD2-CD2 3.75Å; F35-Y66 AromaticContact CD2-CG 3.96Å; F35-Y66 HydrophobicContact CD2-CG 3.96Å; F35-Y66 AromaticContact CG-CD2 3.81Å; F35-Y66 HydrophobicContact CG-CD2 3.81Å; F35-Y66 AromaticContact CG-CG 3.76Å; F35-Y66 HydrophobicContact CG-CG 3.76Å; E62-Y66 HydrophobicContact CB-CE2 4.05Å; E62-Y66 WeakPolarHBondContact O-CD2 3.41Å; E62-Y66 PolarHBondContact O-N 3.21Å; T63-Y66 PolarHBondContact O-N 3.23Å; Y66-R68 PolarHBondContact O-N 2.79Å; Y66-Q69 PolarHBondContact O-N 3.19Å; Y66-A70 PolarHBondContact O-N 3.08Å
67K98.3Very high97.9Very high85 Ų8561.1 Ų61.137%0.3729%0.289SS..Hα-helixtrans-61-42.2176.2-73.6179.3178.9177.60112.5F35 P42 T63 K65 Q71F35-K67 HydrophobicContact CE2-CG 4.21Å; F35-K67 HydrophobicContact CZ-CG 4Å; P42-K67 WeakPolarHBondContact O-CE 3.21Å; P42-K67 PolarHBondContact O-NZ 3.33Å; T63-K67 HydrophobicContact CG2-CD 4.18Å; T63-K67 WeakPolarHBondContact O-CG 3.21Å; T63-K67 PolarHBondContact O-N 2.95Å; K65-K67 PolarHBondContact O-N 3Å; K67-Q71 PolarHBondContact O-N 3.4Å
68R98.3Very high97.9Very high161 Ų16158.9 Ų58.961%0.60827%0.273SS*.Hα-helixtrans-64.9-43.2174.4-74.8-173-65.5-1700.8111.7Q64 K65 Y66 A70 Q71 T72Q64-R68 WeakPolarHBondContact O-CB 3.49Å; Q64-R68 WeakPolarHBondContact O-CG 3.47Å; Q64-R68 PolarHBondContact O-N 2.8Å; K65-R68 PolarHBondContact O-N 3.25Å; Y66-R68 PolarHBondContact O-N 2.79Å; R68-A70 PolarHBondContact O-N 2.98Å; R68-Q71 PolarHBondContact O-N 3Å; R68-T72 PolarHBondContact O-N 3.43Å; R68-T72 PolarHBondContact O-OG1 3.47Å
69Q98.3Very high97.9Very high28 Ų2861.5 Ų61.513%0.13129%0.288CS..Hα-helixtrans-62.4-41.7177.7-172.867.456.500112Y8 F21 K65 Y66 Q71 T72 D73 R96Y8-Q69 HydrophobicContact CD2-CG 3.66Å; Y8-Q69 HydrophobicContact CE2-CB 4.39Å; Y8-Q69 HydrophobicContact CE2-CG 3.64Å; F21-Q69 HydrophobicContact CE2-CB 4.3Å; F21-Q69 HydrophobicContact CE2-CG 3.71Å; F21-Q69 HydrophobicContact CZ-CB 3.98Å; F21-Q69 HydrophobicContact CZ-CG 3.74Å; K65-Q69 PolarHBondContact O-N 3.21Å; Y66-Q69 PolarHBondContact O-N 3.19Å; Q69-Q71 VanDerWaalsContact C-N 3.27Å; Q69-Q71 PolarHBondContact O-N 3.19Å; Q69-T72 CarbonylContact O-C 3.58Å; Q69-T72 WeakPolarHBondContact O-CB 3.38Å; Q69-T72 PolarHBondContact O-N 3.05Å; Q69-T72 VanDerWaalsContact O-N 3.09Å; Q69-D73 PolarHBondContact NE2-OD1 2.84Å; Q69-D73 PolarHBondContact O-N 2.86Å; Q69-R96 VanDerWaalsContact OE1-NH1 3.11Å
70A98.3Very high97.9Very high19 Ų1960 Ų6016%0.15728%0.283CS..Hα-helixtrans-57.8-39.5176.100000112.2F21 Y66 R68 R74F21-A70 HydrophobicContact CB-CB 3.68Å; F21-A70 HydrophobicContact CD1-CB 3.89Å; F21-A70 HydrophobicContact CD2-CB 4.28Å; F21-A70 HydrophobicContact CG-CB 3.68Å; Y66-A70 PolarHBondContact O-N 3.08Å; R68-A70 PolarHBondContact O-N 2.98Å; A70-R74 WeakPolarHBondContact O-CB 3.28Å; A70-R74 PolarHBondContact O-N 3.23Å
71Q98Very high97.9Very high110 Ų11057.5 Ų57.551%0.51427%0.266SS..Hα-helixtrans-68.8-41174.3-63.8-54.6-41.800112.2K67 R68 Q69 R74 V75K67-Q71 PolarHBondContact O-N 3.4Å; R68-Q71 PolarHBondContact O-N 3Å; Q69-Q71 VanDerWaalsContact C-N 3.27Å; Q69-Q71 PolarHBondContact O-N 3.19Å; Q71-R74 WeakPolarHBondContact O-CB 3.39Å; Q71-R74 PolarHBondContact O-N 2.69Å; Q71-V75 WeakPolarHBondContact O-CG2 3.28Å; Q71-V75 PolarHBondContact O-N 2.88Å
72T98Very high97.9Very high75 Ų7556.2 Ų56.246%0.4627%0.272SS..Hα-helixtrans-59.6-47174.3-60.50000111.2R68 Q69 R74 V75 S76R68-T72 PolarHBondContact O-N 3.43Å; R68-T72 PolarHBondContact O-OG1 3.47Å; Q69-T72 CarbonylContact O-C 3.58Å; Q69-T72 WeakPolarHBondContact O-CB 3.38Å; Q69-T72 PolarHBondContact O-N 3.05Å; Q69-T72 VanDerWaalsContact O-N 3.09Å; T72-R74 VanDerWaalsContact C-N 3.34Å; T72-R74 PolarHBondContact O-N 2.82Å; T72-V75 PolarHBondContact O-N 3.44Å; T72-V75 VanDerWaalsContact O-N 3.13Å; T72-S76 PolarHBondContact O-N 3.06Å; T72-S76 PolarHBondContact O-OG 3.16Å; T72-S76 VanDerWaalsContact O-OG 3.08Å
73D98.1Very high97.9Very high3 Ų358.2 Ų58.22%0.01628%0.279CS..Hα-helixtrans-68.6-33.8-177.7-72.2-4.2000112.1A10 F21 Q69 V75 S76 L77 L94A10-D73 HydrophobicContact CB-CB 3.73Å; F21-D73 VanDerWaalsContact CE2-OD2 3.23Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.32Å; Q69-D73 PolarHBondContact NE2-OD1 2.84Å; Q69-D73 PolarHBondContact O-N 2.86Å; D73-V75 VanDerWaalsContact C-N 3.33Å; D73-V75 PolarHBondContact O-N 3.34Å; D73-S76 PolarHBondContact O-N 2.9Å; D73-L77 WeakPolarHBondContact O-CB 3.43Å; D73-L77 VanDerWaalsContact O-CG 3.31Å; D73-L77 WeakPolarHBondContact O-CG 3.44Å; D73-L77 PolarHBondContact O-N 3.32Å; D73-L94 HydrophobicContact CB-CD2 4.18Å
74R97.8Very high97.9Very high62 Ų6260.9 Ų60.923%0.23429%0.288CS..Hα-helixtrans-57.9-44.8169.7176.7-171.5-179.5-164.62.8111.8E18 P19 A70 Q71 T72 R78E18-R74 VanDerWaalsContact CD-NE 3.25Å; E18-R74 IonicContact OE1-CZ 3.34Å; E18-R74 VanDerWaalsContact OE1-CZ 3.27Å; E18-R74 IonicContact OE1-NE 3.4Å; E18-R74 IonicContact OE1-NH2 2.69Å; E18-R74 PolarHBondContact OE1-NH2 3.12Å; E18-R74 WeakPolarHBondContact OE2-CD 3.34Å; E18-R74 IonicContact OE2-CZ 2.79Å; E18-R74 IonicContact OE2-NE 3.44Å; E18-R74 PolarHBondContact OE2-NE 3.38Å; E18-R74 IonicContact OE2-NH2 3.81Å; E18-R74 PolarHBondContact OE2-NH2 2.72Å; P19-R74 HydrophobicContact CG-CB 4.41Å; P19-R74 HydrophobicContact CG-CG 4.24Å; A70-R74 WeakPolarHBondContact O-CB 3.28Å; A70-R74 PolarHBondContact O-N 3.23Å; Q71-R74 WeakPolarHBondContact O-CB 3.39Å; Q71-R74 PolarHBondContact O-N 2.69Å; T72-R74 VanDerWaalsContact C-N 3.34Å; T72-R74 PolarHBondContact O-N 2.82Å; R74-R78 PolarHBondContact O-N 3.3Å
75V97.8Very high97.8Very high74 Ų7463.1 Ų63.145%0.44830%0.304SS..Hα-helixtrans-69.1-41.5176.7175.60000110.7Q71 T72 D73 L77 R78 N79Q71-V75 WeakPolarHBondContact O-CG2 3.28Å; Q71-V75 PolarHBondContact O-N 2.88Å; T72-V75 PolarHBondContact O-N 3.44Å; T72-V75 VanDerWaalsContact O-N 3.13Å; D73-V75 VanDerWaalsContact C-N 3.33Å; D73-V75 PolarHBondContact O-N 3.34Å; V75-L77 PolarHBondContact O-N 3.49Å; V75-R78 PolarHBondContact O-N 2.97Å; V75-N79 PolarHBondContact O-N 2.94Å
76S98.1Very high97.8Very high36 Ų3662.8 Ų62.825%0.25230%0.303SS..Hα-helixtrans-59.3-44.8176.6-63.20000112T72 D73 R78 N79 L80T72-S76 PolarHBondContact O-N 3.06Å; T72-S76 PolarHBondContact O-OG 3.16Å; T72-S76 VanDerWaalsContact O-OG 3.08Å; D73-S76 PolarHBondContact O-N 2.9Å; S76-R78 VanDerWaalsContact C-N 3.3Å; S76-R78 PolarHBondContact O-N 3.32Å; S76-N79 PolarHBondContact O-N 3.27Å; S76-N79 VanDerWaalsContact O-N 3.14Å; S76-L80 WeakPolarHBondContact O-CB 3.46Å; S76-L80 WeakPolarHBondContact O-CD1 3.41Å; S76-L80 VanDerWaalsContact O-CG 3.23Å; S76-L80 WeakPolarHBondContact O-CG 3.42Å; S76-L80 PolarHBondContact O-N 3.44Å
77L98.3Very high97.6Very high9 Ų966.7 Ų66.75%0.04733%0.33CS..Hα-helixtrans-58.5-39.7176.2-77.5167.1000112.3A10 P19 D73 V75 R81 H92 L94 Y117A10-L77 HydrophobicContact CB-CD1 3.95Å; P19-L77 HydrophobicContact CB-CD1 3.73Å; P19-L77 HydrophobicContact CG-CD1 3.86Å; D73-L77 WeakPolarHBondContact O-CB 3.43Å; D73-L77 VanDerWaalsContact O-CG 3.31Å; D73-L77 WeakPolarHBondContact O-CG 3.44Å; D73-L77 PolarHBondContact O-N 3.32Å; V75-L77 PolarHBondContact O-N 3.49Å; L77-R81 WeakPolarHBondContact O-CB 3.43Å; L77-R81 PolarHBondContact O-N 3.13Å; L77-R81 VanDerWaalsContact O-N 3.09Å; L77-H92 HydrophobicContact CD2-CB 4.32Å; L77-L94 HydrophobicContact CD2-CB 3.69Å; L77-L94 HydrophobicContact CG-CB 4.1Å; L77-Y117 HydrophobicContact CD2-CE2 3.99Å
78R97.1Very high97.3Very high119 Ų11969 Ų6945%0.44934%0.342SS..Hα-helixtrans-65.7-44.3174.6-68.4176.2-177.3172.80.6111.9R74 V75 S76 C82R74-R78 PolarHBondContact O-N 3.3Å; V75-R78 PolarHBondContact O-N 2.97Å; S76-R78 VanDerWaalsContact C-N 3.3Å; S76-R78 PolarHBondContact O-N 3.32Å; R78-C82 PolarHBondContact O-N 3.48Å; R78-C82 PolarHBondContact O-SG 3.05Å; R78-C82 VanDerWaalsContact O-SG 3.34Å
79N97.6Very high97.1Very high67 Ų6765.2 Ų65.236%0.35835%0.346SS..Hα-helixtrans-64.3-44.6178.6-69.8-22.7000111.9V75 S76 C82 Y83V75-N79 PolarHBondContact O-N 2.94Å; S76-N79 PolarHBondContact O-N 3.27Å; S76-N79 VanDerWaalsContact O-N 3.14Å; N79-C82 WeakPolarHBondContact O-CB 3.41Å; N79-C82 PolarHBondContact O-N 2.81Å; N79-C82 VanDerWaalsContact O-N 3.15Å; N79-Y83 WeakPolarHBondContact O-CD1 3.24Å; N79-Y83 VanDerWaalsContact O-CG 3.29Å; N79-Y83 PolarHBondContact O-N 3.49Å
80L98.2Very high96.9Very high6 Ų665.2 Ų65.23%0.03135%0.353CS..Hα-helixtrans-60.4-47.5178.8-72.6163.7000110.8S76 C82 Y83 Y84 L94 Y117 Y122S76-L80 WeakPolarHBondContact O-CB 3.46Å; S76-L80 WeakPolarHBondContact O-CD1 3.41Å; S76-L80 VanDerWaalsContact O-CG 3.23Å; S76-L80 WeakPolarHBondContact O-CG 3.42Å; S76-L80 PolarHBondContact O-N 3.44Å; L80-C82 PolarHBondContact O-N 3Å; L80-Y83 HydrophobicContact CD2-CD2 4.48Å; L80-Y83 PolarHBondContact O-N 2.88Å; L80-Y84 HydrophobicContact CD2-CE2 4.18Å; L80-Y84 VanDerWaalsContact O-CD2 3.24Å; L80-Y84 WeakPolarHBondContact O-CD2 3.5Å; L80-Y84 PolarHBondContact O-N 2.98Å; L80-L94 HydrophobicContact CD1-CD1 3.85Å; L80-L94 HydrophobicContact CD1-CD2 4.27Å; L80-L94 HydrophobicContact CD1-CG 4.49Å; L80-Y117 HydrophobicContact CB-CD1 4.39Å; L80-Y117 HydrophobicContact CB-CD2 4.2Å; L80-Y117 HydrophobicContact CB-CE1 4.02Å; L80-Y117 HydrophobicContact CB-CE2 3.84Å; L80-Y117 HydrophobicContact CB-CG 4.46Å; L80-Y117 HydrophobicContact CD1-CD2 3.63Å; L80-Y117 HydrophobicContact CD1-CE2 3.94Å; L80-Y117 HydrophobicContact CD1-CG 4.11Å; L80-Y117 HydrophobicContact CD2-CG 4.43Å; L80-Y117 HydrophobicContact CG-CD2 4.39Å; L80-Y117 HydrophobicContact CG-CE2 4.47Å; L80-Y122 HydrophobicContact CD2-CD1 4.32Å; L80-Y122 HydrophobicContact CD2-CD2 4.05Å; L80-Y122 HydrophobicContact CD2-CE1 3.77Å; L80-Y122 HydrophobicContact CD2-CE2 3.46Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.46Å; L80-Y122 HydrophobicContact CD2-CG 4.46Å
81R97.1Very high96.8Very high56 Ų5668 Ų6821%0.21137%0.372CS..Hα-helixtrans-53.2-42.7174.4-171.4-172.965.8179.59.3112.1L77 N85 Q86 E88L77-R81 WeakPolarHBondContact O-CB 3.43Å; L77-R81 PolarHBondContact O-N 3.13Å; L77-R81 VanDerWaalsContact O-N 3.09Å; R81-N85 PolarHBondContact O-N 2.99Å; R81-N85 VanDerWaalsContact O-N 3.11Å; R81-Q86 HydrophobicContact CG-CB 3.75Å; R81-Q86 WeakPolarHBondContact CG-O 3.21Å; R81-Q86 PolarHBondContact O-N 3.18Å; R81-E88 IonicContact CZ-OE1 3.51Å; R81-E88 IonicContact NH1-OE1 2.79Å; R81-E88 PolarHBondContact NH1-OE1 3.25Å; R81-E88 IonicContact NH2-OE1 2.72Å; R81-E88 PolarHBondContact NH2-OE1 3.2Å
82C96.9Very high96.9Very high78 Ų7863.6 Ų63.653%0.52735%0.351SS..Hα-helixtrans-67.3-43.4175.5-66.10000112.5R78 N79 L80 Y84 N85R78-C82 PolarHBondContact O-N 3.48Å; R78-C82 PolarHBondContact O-SG 3.05Å; R78-C82 VanDerWaalsContact O-SG 3.34Å; N79-C82 WeakPolarHBondContact O-CB 3.41Å; N79-C82 PolarHBondContact O-N 2.81Å; N79-C82 VanDerWaalsContact O-N 3.15Å; L80-C82 PolarHBondContact O-N 3Å; C82-Y84 PolarHBondContact O-N 3.42Å; C82-N85 PolarHBondContact O-N 2.81Å; C82-N85 VanDerWaalsContact O-N 3.17Å; C82-N85 PolarHBondContact O-OD1 3.47Å
83Y97.6Very high96.9Very high51 Ų5161.7 Ų61.720%0.234%0.34CS..Hα-helixtrans-61.8-33.6179.2-62.7-16.9000112.7N79 L80 I141 K145N79-Y83 WeakPolarHBondContact O-CD1 3.24Å; N79-Y83 VanDerWaalsContact O-CG 3.29Å; N79-Y83 PolarHBondContact O-N 3.49Å; L80-Y83 HydrophobicContact CD2-CD2 4.48Å; L80-Y83 PolarHBondContact O-N 2.88Å; Y83-I141 HydrophobicContact CD1-CD1 4.02Å; Y83-I141 HydrophobicContact CE1-CD1 4.32Å; Y83-I141 HydrophobicContact CE1-CG2 3.91Å; Y83-I141 HydrophobicContact CE2-CB 4.29Å; Y83-I141 HydrophobicContact CE2-CG2 4.16Å; Y83-I141 HydrophobicContact CG-CD1 4.17Å; Y83-K145 PolarHBondContact OH-NZ 3.49Å
84Y97.8Very high96.9Very high68 Ų6861.8 Ų61.827%0.26734%0.34SS..THydrogen-bonded Turntrans-94.34.2178.8-69.5-72.3000114L80 C82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.18Å; L80-Y84 VanDerWaalsContact O-CD2 3.24Å; L80-Y84 WeakPolarHBondContact O-CD2 3.5Å; L80-Y84 PolarHBondContact O-N 2.98Å; C82-Y84 PolarHBondContact O-N 3.42Å; Y84-Q86 PolarHBondContact O-N 3.02Å; Y84-Y117 AromaticContact CD2-CD1 3.7Å; Y84-Y117 HydrophobicContact CD2-CD1 3.7Å; Y84-Y117 AromaticContact CD2-CE1 3.49Å; Y84-Y117 HydrophobicContact CD2-CE1 3.49Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.49Å; Y84-Y117 AromaticContact CE2-CD1 3.49Å; Y84-Y117 HydrophobicContact CE2-CD1 3.49Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.49Å; Y84-Y117 AromaticContact CE2-CE1 3.83Å; Y84-Y117 HydrophobicContact CE2-CE1 3.83Å; Y84-Y117 HydrophobicContact CE2-CG 4.5Å; Y84-Y117 HydrophobicContact CG-CE1 4.37Å; Y84-Y122 HydrophobicContact CE2-CD2 4.39Å; Y84-Y122 HydrophobicContact CE2-CE2 4.11Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.29Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.41Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.37Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 2.93Å; Y84-D136 PolarHBondContact OH-OD2 3.3Å; Y84-A138 HydrophobicContact CD1-CB 4.18Å; Y84-A138 HydrophobicContact CD2-CB 4.41Å; Y84-A138 HydrophobicContact CE1-CB 3.64Å; Y84-A138 HydrophobicContact CE2-CB 3.88Å; Y84-A138 VanDerWaalsContact CZ-CB 3.47Å
85N96.9Very high97Very high151 Ų15162.6 Ų62.681%0.80735%0.346SS*.THydrogen-bonded Turntrans52.340.1-177.5-56-56000113.5R81 C82R81-N85 PolarHBondContact O-N 2.99Å; R81-N85 VanDerWaalsContact O-N 3.11Å; C82-N85 PolarHBondContact O-N 2.81Å; C82-N85 VanDerWaalsContact O-N 3.17Å; C82-N85 PolarHBondContact O-OD1 3.47Å
86Q97.1Very high97Very high61 Ų6159.6 Ų59.629%0.28533%0.327SS..  trans-89.1153.5-176.1-72.1165.6-3300112.4R81 Y84 H92 Y117R81-Q86 HydrophobicContact CG-CB 3.75Å; R81-Q86 WeakPolarHBondContact CG-O 3.21Å; R81-Q86 PolarHBondContact O-N 3.18Å; Y84-Q86 PolarHBondContact O-N 3.02Å; Q86-H92 PolarHBondContact NE2-CE1 2.89Å; Q86-H92 PolarHBondContact OE1-CE1 3.07Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.31Å; Q86-Y117 PolarHBondContact OE1-OH 3.32Å
87S95.2Very high97.1Very high81 Ų8159 Ų5957%0.56632%0.321SS*.  trans-68149.8178.6174.20000112.6A89 G90S87-A89 PolarHBondContact O-N 3.21Å; S87-A89 PolarHBondContact OG-N 3.21Å; S87-G90 PolarHBondContact O-N 2.99Å
88E92.2Very high97.1Very high133 Ų13359.5 Ų59.562%0.62132%0.322SS*.THydrogen-bonded Turntrans-69.2-19174.3-53.8-151.1129.200114P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.42Å; P14-E88 WeakPolarHBondContact CG-O 3.17Å; R81-E88 IonicContact CZ-OE1 3.51Å; R81-E88 IonicContact NH1-OE1 2.79Å; R81-E88 PolarHBondContact NH1-OE1 3.25Å; R81-E88 IonicContact NH2-OE1 2.72Å; R81-E88 PolarHBondContact NH2-OE1 3.2Å; E88-G90 VanDerWaalsContact C-N 3.31Å
89A92.8Very high97.2Very high83 Ų8353.9 Ų53.969%0.68630%0.301SS*.THydrogen-bonded Turntrans-79.3-15-179.600000113.1S87S87-A89 PolarHBondContact O-N 3.21Å; S87-A89 PolarHBondContact OG-N 3.21Å
90G93.8Very high97.2Very high27 Ų2750.7 Ų50.728%0.27828%0.284SS..  trans-75.6136.4-178.300000113P14 S87 E88 H92P14-G90 VanDerWaalsContact CG-O 3.25Å; P14-G90 WeakPolarHBondContact CG-O 3.48Å; S87-G90 PolarHBondContact O-N 2.99Å; E88-G90 VanDerWaalsContact C-N 3.31Å; G90-H92 PolarHBondContact O-CD2 3.31Å; G90-H92 VanDerWaalsContact O-CD2 3.25Å
91S97.4Very high97.2Very high78 Ų7851.5 Ų51.555%0.54529%0.288SS..  trans-83.6125.4166175.50000108.9S12S12-S91 PolarHBondContact O-OG 3.11Å
92H98.4Very high97.3Very high17 Ų1749 Ų498%0.07928%0.279CS..  trans-125.1151-179.1-61.3-76.9000112.1S12 L77 Q86 G90 Y117 D118S12-H92 PolarHBondContact N-O 2.8Å; S12-H92 WeakPolarHBondContact OG-CA 3.14Å; S12-H92 PolarHBondContact OG-N 2.91Å; S12-H92 PolarHBondContact OG-O 3.34Å; L77-H92 HydrophobicContact CD2-CB 4.32Å; Q86-H92 PolarHBondContact NE2-CE1 2.89Å; Q86-H92 PolarHBondContact OE1-CE1 3.07Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.31Å; G90-H92 PolarHBondContact O-CD2 3.31Å; G90-H92 VanDerWaalsContact O-CD2 3.25Å; H92-Y117 HydrophobicContact CB-CE2 3.77Å; H92-Y117 WeakPolarHBondContact CB-OH 3.38Å; H92-Y117 AromaticContact CG-CZ 3.99Å; H92-Y117 AromaticContact ND1-CZ 3.93Å; H92-Y117 PolarHBondContact ND1-OH 2.82Å; H92-D118 WeakPolarHBondContact CA-OD1 3.49Å; H92-D118 WeakPolarHBondContact CB-OD1 3.36Å; H92-D118 IonicContact CE1-OD2 2.79Å; H92-D118 IonicContact CG-OD1 3.75Å; H92-D118 IonicContact CG-OD2 3.27Å; H92-D118 IonicContact ND1-OD1 2.66Å; H92-D118 IonicContact ND1-OD2 3.47Å; H92-D118 PolarHBondContact ND1-OD2 2.93Å
93T98.7Very high97.2Very high36 Ų3645.6 Ų45.622%0.22126%0.257CS..EExtended strand (participates in β ladder)trans-120129.8-176.6-54.70000111T9 A10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 4.02Å; A10-T93 WeakPolarHBondContact O-CA 3.47Å; V11-T93 HydrophobicContact CG2-CG2 4.17Å; T93-Q95 HydrophobicContact CG2-CG 3.92Å; T93-Y117 WeakPolarHBondContact O-CA 3.44Å; T93-Y117 VanDerWaalsContact O-CD2 3.24Å; T93-Y117 WeakPolarHBondContact O-CD2 3.39Å; T93-D118 PolarHBondContact N-OD1 2.78Å; T93-D118 PolarHBondContact O-N 2.92Å
94L98.9Very high96.9Very high4 Ų449.1 Ų49.12%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-113.2125.9168.917662.7000108.5A10 D73 L77 L80 F115A10-L94 HydrophobicContact CB-CB 4.43Å; A10-L94 PolarHBondContact N-O 3.36Å; A10-L94 PolarHBondContact O-N 3.37Å; D73-L94 HydrophobicContact CB-CD2 4.18Å; L77-L94 HydrophobicContact CD2-CB 3.69Å; L77-L94 HydrophobicContact CG-CB 4.1Å; L80-L94 HydrophobicContact CD1-CD1 3.85Å; L80-L94 HydrophobicContact CD1-CD2 4.27Å; L80-L94 HydrophobicContact CD1-CG 4.49Å; L94-F115 HydrophobicContact CD1-CD1 4.2Å
95Q98.9Very high96.7Very high79 Ų7950.7 Ų50.737%0.36930%0.3SS..EExtended strand (participates in β ladder)trans-118.1146.7176.8-63.5172.8-83.300110Y8 T9 T93 F115 A116Y8-Q95 CarbonylContact O-C 3.52Å; Y8-Q95 VanDerWaalsContact O-CA 3.3Å; Y8-Q95 WeakPolarHBondContact O-CA 3.17Å; T9-Q95 HydrophobicContact CG2-CG 4.27Å; T93-Q95 HydrophobicContact CG2-CG 3.92Å; Q95-F115 CarbonylContact O-C 3.5Å; Q95-F115 WeakPolarHBondContact O-CA 3.35Å; Q95-A116 HydrophobicContact CB-CB 4.35Å; Q95-A116 PolarHBondContact N-O 2.98Å; Q95-A116 PolarHBondContact O-N 3.24Å
96R98.7Very high96.4Very high11 Ų1144.4 Ų44.44%0.04227%0.27CS..EExtended strand (participates in β ladder)trans-137133.2173.7-176.5-169.3-178.5-170.6-7.4109.7F7 Y8 Q69 Y98 N113 Q114 F115 R155F7-R96 WeakPolarHBondContact CA-O 2.82Å; Y8-R96 PolarHBondContact N-O 3.05Å; Y8-R96 PolarHBondContact O-N 2.9Å; Q69-R96 VanDerWaalsContact OE1-NH1 3.11Å; R96-Y98 HydrophobicContact CG-CD1 4.25Å; R96-N113 PolarHBondContact NE-OD1 3.3Å; R96-N113 PolarHBondContact NH2-OD1 2.85Å; R96-Q114 WeakPolarHBondContact CA-O 3.44Å; R96-F115 HydrophobicContact CB-CD1 3.77Å; R96-F115 HydrophobicContact CB-CE1 3.74Å; R96-F115 HydrophobicContact CB-CG 4.41Å; R96-F115 HydrophobicContact CB-CZ 4.33Å; R96-F115 VanDerWaalsContact CD-CE1 3.42Å; R96-F115 HydrophobicContact CG-CD1 3.85Å; R96-F115 HydrophobicContact CG-CD2 4.31Å; R96-F115 HydrophobicContact CG-CE1 3.5Å; R96-F115 HydrophobicContact CG-CE2 3.96Å; R96-F115 HydrophobicContact CG-CG 4.26Å; R96-F115 HydrophobicContact CG-CZ 3.57Å; R96-F115 VanDerWaalsContact NE-CZ 3.32Å; R96-R155 VanDerWaalsContact NH2-CZ 3.33Å
97M98.8Very high96.3Very high24 Ų2449.7 Ų49.712%0.11829%0.287CS..EExtended strand (participates in β ladder)trans-120.5130166.9-173.6-78.4-70.400108.8Y6 F7 Y112 N113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.19Å; F7-M97 HydrophobicContact CD1-CB 4.08Å; F7-M97 HydrophobicContact CD1-CG 3.67Å; F7-M97 HydrophobicContact CE1-CB 4.24Å; F7-M97 HydrophobicContact CE1-CG 3.42Å; F7-M97 VanDerWaalsContact CE1-CG 3.42Å; F7-M97 HydrophobicContact CZ-CG 4.12Å; M97-Y112 HydrophobicContact CE-CD1 4.1Å; M97-Y112 HydrophobicContact CE-CG 4.11Å; M97-N113 WeakPolarHBondContact O-CA 3.26Å; M97-Q114 HydrophobicContact CB-CG 4.19Å; M97-Q114 HydrophobicContact CE-CG 4.02Å; M97-Q114 PolarHBondContact N-O 2.86Å; M97-Q114 PolarHBondContact O-N 3.33Å
98Y98.8Very high96.5Very high20 Ų2048.4 Ų48.48%0.07827%0.274CS..EExtended strand (participates in β ladder)trans-146.6156.7172.173.2-87.5000110.9Y6 Y8 R96 Y112 N113 Y158Y6-Y98 VanDerWaalsContact CB-CE1 3.49Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.47Å; Y6-Y98 HydrophobicContact CD2-CD2 4.47Å; Y6-Y98 AromaticContact CD2-CE2 3.65Å; Y6-Y98 HydrophobicContact CD2-CE2 3.65Å; Y6-Y98 AromaticContact CD2-CZ 3.69Å; Y6-Y98 HydrophobicContact CE2-CE2 4.41Å; Y6-Y98 HydrophobicContact CG-CE1 4.21Å; Y6-Y98 HydrophobicContact CG-CE2 4.11Å; Y6-Y98 AromaticContact CG-CZ 3.66Å; Y6-Y98 PolarHBondContact N-O 3.34Å; Y6-Y98 PolarHBondContact O-N 3.22Å; Y6-Y98 VanDerWaalsContact O-N 3.15Å; Y8-Y98 HydrophobicContact CD2-CE1 4.22Å; Y8-Y98 HydrophobicContact CE1-CE1 4.08Å; Y8-Y98 AromaticContact CE2-CE1 3.61Å; Y8-Y98 HydrophobicContact CE2-CE1 3.61Å; Y8-Y98 AromaticContact CZ-CE1 3.55Å; Y8-Y98 AromaticContact CZ-CZ 3.97Å; Y8-Y98 PolarHBondContact OH-OH 3.25Å; R96-Y98 HydrophobicContact CG-CD1 4.25Å; Y98-Y112 WeakPolarHBondContact CA-O 3.21Å; Y98-Y112 VanDerWaalsContact CB-O 3.23Å; Y98-Y112 WeakPolarHBondContact CB-O 3.2Å; Y98-N113 WeakPolarHBondContact CB-OD1 3.28Å; Y98-Y158 AromaticContact CD2-CE1 3.78Å; Y98-Y158 HydrophobicContact CD2-CE1 3.78Å; Y98-Y158 AromaticContact CE2-CE1 3.63Å; Y98-Y158 HydrophobicContact CE2-CE1 3.63Å; Y98-Y158 AromaticContact CE2-CZ 3.86Å
99G98.7Very high96.7Very high0 Ų048.2 Ų48.20%028%0.276CS..EExtended strand (participates in β ladder)trans161.4-174.8-175.800000113.6M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.53Å; M4-G99 WeakPolarHBondContact O-CA 3.5Å; G99-G111 CarbonylContact O-C 3.58Å; G99-G111 WeakPolarHBondContact O-CA 3.47Å; G99-Y112 PolarHBondContact N-O 2.88Å; G99-Y112 PolarHBondContact O-N 2.83Å; G99-L159 WeakPolarHBondContact O-CD2 3.2Å
100C98.7Very high96.9Very high0 Ų048.6 Ų48.60%026%0.26CS..EExtended strand (participates in β ladder)trans-135.7146.9-176.951.80000110.8S3 M4 L108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.47Å; M4-C100 PolarHBondContact N-O 3.42Å; M4-C100 PolarHBondContact O-N 3.21Å; C100-L108 HydrophobicContact CB-CD1 3.58Å; C100-R110 CarbonylContact C-O 3.55Å; C100-R110 WeakPolarHBondContact CA-O 3.44Å; C100-C163 HydrophobicContact CB-CB 3.91Å; C100-C163 WeakPolarHBondContact CB-SG 3.47Å; C100-C163 PolarHBondContact N-SG 3.1Å; C100-C163 WeakPolarHBondContact SG-CB 3.37Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.4Å
101D98.5Very high97.1Very high23 Ų2347.5 Ų47.512%0.12325%0.249CC..EExtended strand (participates in β ladder)trans-110136.2171.6-60.1-12.2000108.9H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.47Å; H2-D101 WeakPolarHBondContact O-CA 3.43Å; S3-D101 WeakPolarHBondContact CB-OD1 3.34Å; R5-D101 IonicContact CZ-OD1 3.56Å; R5-D101 IonicContact NE-OD1 2.69Å; R5-D101 PolarHBondContact NE-OD1 3.18Å; R5-D101 VanDerWaalsContact NH2-CG 3.34Å; R5-D101 IonicContact NH2-OD1 3.43Å; R5-D101 PolarHBondContact NH2-OD1 2.79Å; R5-D101 IonicContact NH2-OD2 3.51Å; R5-D101 PolarHBondContact NH2-OD2 3.31Å; R5-D101 VanDerWaalsContact NH2-OD2 3.11Å; D101-L109 HydrophobicContact CB-CB 4.37Å; D101-L109 WeakPolarHBondContact O-CB 3.4Å; D101-L109 PolarHBondContact O-N 3.17Å; D101-R110 PolarHBondContact N-O 2.87Å; D101-R110 PolarHBondContact O-N 2.93Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.37Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.29Å; D101-Y112 PolarHBondContact OD2-OH 2.85Å
102L97.9Very high97.2Very high3 Ų345.5 Ų45.52%0.01623%0.23CC..EExtended strand (participates in β ladder)trans-109.9136.7175-54.8-177.1000111S1 H2 R107 V164 L167 R168S1-L102 VanDerWaalsContact CA-O 3.31Å; S1-L102 WeakPolarHBondContact CA-O 3.43Å; S1-L102 VanDerWaalsContact CB-O 3.28Å; S1-L102 WeakPolarHBondContact CB-O 3.19Å; H2-L102 PolarHBondContact N-O 3.15Å; H2-L102 VanDerWaalsContact N-O 3.1Å; H2-L102 PolarHBondContact O-N 3.4Å; L102-R107 CarbonylContact C-O 3.6Å; L102-R107 VanDerWaalsContact CA-O 3.25Å; L102-R107 WeakPolarHBondContact CA-O 3.46Å; L102-V164 HydrophobicContact CD1-CG1 4.47Å; L102-V164 HydrophobicContact CD2-CB 4.2Å; L102-V164 HydrophobicContact CD2-CG1 3.83Å; L102-V164 HydrophobicContact CD2-CG2 3.84Å; L102-L167 HydrophobicContact CB-CD2 4.49Å; L102-L167 HydrophobicContact CD1-CB 4.22Å; L102-L167 HydrophobicContact CD1-CD2 3.62Å; L102-L167 HydrophobicContact CD1-CG 3.73Å; L102-L167 HydrophobicContact CG-CD2 3.57Å; L102-L167 HydrophobicContact CG-CG 4.26Å; L102-R168 HydrophobicContact CD1-CG 3.99Å
103G95.6Very high97.2Very high8 Ų844.8 Ų44.88%0.08223%0.226CC..  trans-67.7173.7166.900000112.3D105 G106 R107G103-D105 PolarHBondContact O-N 3.43Å; G103-G106 WeakPolarHBondContact O-CA 3.38Å; G103-G106 PolarHBondContact O-N 2.88Å; G103-R107 PolarHBondContact N-O 3.31Å
104P91.8Very high97.2Very high124 Ų12446.4 Ų46.481%0.80523%0.231SC*.THydrogen-bonded Turntrans-60-25.8176.2-2334.2000114G106P104-G106 PolarHBondContact O-N 2.83Å
105D92.6Very high97.2Very high102 Ų10247.1 Ų47.155%0.54523%0.234SC..THydrogen-bonded Turntrans-78.91.9174.168.8-14.7000113.2G103 R107G103-D105 PolarHBondContact O-N 3.43Å; D105-R107 PolarHBondContact O-N 3.2Å; D105-R107 WeakPolarHBondContact OD1-CB 3.33Å; D105-R107 PolarHBondContact OD1-N 2.62Å; D105-R107 WeakPolarHBondContact OD2-CD 3.25Å; D105-R107 VanDerWaalsContact OD2-CG 3.3Å; D105-R107 WeakPolarHBondContact OD2-CG 3.14Å; D105-R107 IonicContact OD2-NE 3.38Å
106G91.3Very high97.2Very high18 Ų1844 Ų4419%0.18622%0.223CC..SBendtrans72.78.6-178.700000114.1G103 P104 R168G103-G106 WeakPolarHBondContact O-CA 3.38Å; G103-G106 PolarHBondContact O-N 2.88Å; P104-G106 PolarHBondContact O-N 2.83Å; G106-R168 VanDerWaalsContact O-CZ 3.28Å; G106-R168 PolarHBondContact O-NE 2.88Å; G106-R168 PolarHBondContact O-NH2 2.8Å
107R95.5Very high97.2Very high172 Ų17244 Ų4465%0.64922%0.223SC*.  trans-85.8153.4177.7-63.3-173.2-177.3167.3-2.8111.3L102 G103 D105 L109L102-R107 CarbonylContact C-O 3.6Å; L102-R107 VanDerWaalsContact CA-O 3.25Å; L102-R107 WeakPolarHBondContact CA-O 3.46Å; G103-R107 PolarHBondContact N-O 3.31Å; D105-R107 PolarHBondContact O-N 3.2Å; D105-R107 WeakPolarHBondContact OD1-CB 3.33Å; D105-R107 PolarHBondContact OD1-N 2.62Å; D105-R107 WeakPolarHBondContact OD2-CD 3.25Å; D105-R107 VanDerWaalsContact OD2-CG 3.3Å; D105-R107 WeakPolarHBondContact OD2-CG 3.14Å; D105-R107 IonicContact OD2-NE 3.38Å; R107-L109 PolarHBondContact O-N 3.34Å; R107-L109 VanDerWaalsContact O-N 3.15Å
108L97.8Very high97.2Very high55 Ų5546 Ų4629%0.28823%0.233SC..EExtended strand (participates in β ladder)trans-59.6118.5175.7-177.171.6000109.6C100 R110 L129 E160 V164C100-L108 HydrophobicContact CB-CD1 3.58Å; L108-R110 WeakPolarHBondContact CD1-O 3.4Å; L108-L129 HydrophobicContact CD2-CD1 4.26Å; L108-E160 HydrophobicContact CD2-CB 4.41Å; L108-E160 HydrophobicContact CD2-CG 3.7Å; L108-V164 HydrophobicContact CB-CG2 4.03Å; L108-V164 HydrophobicContact CD1-CG2 4.02Å
109L97.4Very high97.1Very high128 Ų12847.9 Ų47.967%0.6726%0.259SS*.EExtended strand (participates in β ladder)trans-87.6-47.2170.9-172.884.5000109.9D101 R107D101-L109 HydrophobicContact CB-CB 4.37Å; D101-L109 WeakPolarHBondContact O-CB 3.4Å; D101-L109 PolarHBondContact O-N 3.17Å; R107-L109 PolarHBondContact O-N 3.34Å; R107-L109 VanDerWaalsContact O-N 3.15Å
110R97.3Very high97.1Very high92 Ų9255.4 Ų55.435%0.34729%0.292SS..EExtended strand (participates in β ladder)trans-157145.3-174.9-174.1164.1169.7149.910.7111.7C100 D101 L108 Y112 E127C100-R110 CarbonylContact C-O 3.55Å; C100-R110 WeakPolarHBondContact CA-O 3.44Å; D101-R110 PolarHBondContact N-O 2.87Å; D101-R110 PolarHBondContact O-N 2.93Å; L108-R110 WeakPolarHBondContact CD1-O 3.4Å; R110-Y112 HydrophobicContact CB-CE2 4.12Å; R110-Y112 VanDerWaalsContact CD-CZ 3.48Å; R110-Y112 VanDerWaalsContact CD-OH 3.24Å; R110-Y112 WeakPolarHBondContact CD-OH 3.5Å; R110-Y112 HydrophobicContact CG-CD2 4.48Å; R110-Y112 HydrophobicContact CG-CE1 4.11Å; R110-Y112 HydrophobicContact CG-CE2 3.78Å; R110-Y112 PolarHBondContact NE-OH 2.88Å; R110-E127 IonicContact CZ-OE1 3.66Å; R110-E127 IonicContact NH1-OE1 2.78Å; R110-E127 PolarHBondContact NH1-OE1 3.12Å; R110-E127 IonicContact NH1-OE2 3.6Å; R110-E127 VanDerWaalsContact NH2-CG 3.31Å; R110-E127 IonicContact NH2-OE1 3.26Å; R110-E127 PolarHBondContact NH2-OE1 3.48Å
111G98.3Very high97.1Very high4 Ų461.2 Ų61.24%0.04132%0.323CS..EExtended strand (participates in β ladder)trans-115.7152171.400000111.6G99G99-G111 CarbonylContact O-C 3.58Å; G99-G111 WeakPolarHBondContact O-CA 3.47Å
112Y98.5Very high97.1Very high36 Ų3660.6 Ų60.614%0.14132%0.319CS..EExtended strand (participates in β ladder)trans-133142.7-178.4-54.1-97.2000110.4R5 M97 Y98 G99 D101 R110R5-Y112 VanDerWaalsContact NH2-CZ 3.32Å; R5-Y112 PolarHBondContact NH2-OH 2.92Å; M97-Y112 HydrophobicContact CE-CD1 4.1Å; M97-Y112 HydrophobicContact CE-CG 4.11Å; Y98-Y112 WeakPolarHBondContact CA-O 3.21Å; Y98-Y112 VanDerWaalsContact CB-O 3.23Å; Y98-Y112 WeakPolarHBondContact CB-O 3.2Å; G99-Y112 PolarHBondContact N-O 2.88Å; G99-Y112 PolarHBondContact O-N 2.83Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.37Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.29Å; D101-Y112 PolarHBondContact OD2-OH 2.85Å; R110-Y112 HydrophobicContact CB-CE2 4.12Å; R110-Y112 VanDerWaalsContact CD-CZ 3.48Å; R110-Y112 VanDerWaalsContact CD-OH 3.24Å; R110-Y112 WeakPolarHBondContact CD-OH 3.5Å; R110-Y112 HydrophobicContact CG-CD2 4.48Å; R110-Y112 HydrophobicContact CG-CE1 4.11Å; R110-Y112 HydrophobicContact CG-CE2 3.78Å; R110-Y112 PolarHBondContact NE-OH 2.88Å
113N98.6Very high97.2Very high2 Ų260.6 Ų60.61%0.01132%0.319CS..EExtended strand (participates in β ladder)trans-158.6100.2163.5-179.158.6000108.7R96 M97 Y98 L125 W132R96-N113 PolarHBondContact NE-OD1 3.3Å; R96-N113 PolarHBondContact NH2-OD1 2.85Å; M97-N113 WeakPolarHBondContact O-CA 3.26Å; Y98-N113 WeakPolarHBondContact CB-OD1 3.28Å; N113-L125 HydrophobicContact CB-CB 4.08Å; N113-L125 HydrophobicContact CB-CD2 4.23Å; N113-L125 WeakPolarHBondContact O-CB 3.12Å; N113-L125 PolarHBondContact O-N 2.94Å; N113-W132 WeakPolarHBondContact ND2-CH2 3.24Å
114Q98.7Very high97.3Very high69 Ų6961.7 Ų61.732%0.32233%0.327SS..EExtended strand (participates in β ladder)trans-134.2150.9-17466.3-165.559.900111.5R96 M97 I123 A124R96-Q114 WeakPolarHBondContact CA-O 3.44Å; M97-Q114 HydrophobicContact CB-CG 4.19Å; M97-Q114 HydrophobicContact CE-CG 4.02Å; M97-Q114 PolarHBondContact N-O 2.86Å; M97-Q114 PolarHBondContact O-N 3.33Å; Q114-I123 WeakPolarHBondContact CA-O 3.13Å; Q114-A124 HydrophobicContact CB-CB 3.82Å
115F98.8Very high97.7Very high19 Ų1956.4 Ų56.48%0.08329%0.292CS..EExtended strand (participates in β ladder)trans-127.8144.7-177.2-65.6-104.7000110.4L94 Q95 R96 Y122 I123 W146L94-F115 HydrophobicContact CD1-CD1 4.2Å; Q95-F115 CarbonylContact O-C 3.5Å; Q95-F115 WeakPolarHBondContact O-CA 3.35Å; R96-F115 HydrophobicContact CB-CD1 3.77Å; R96-F115 HydrophobicContact CB-CE1 3.74Å; R96-F115 HydrophobicContact CB-CG 4.41Å; R96-F115 HydrophobicContact CB-CZ 4.33Å; R96-F115 VanDerWaalsContact CD-CE1 3.42Å; R96-F115 HydrophobicContact CG-CD1 3.85Å; R96-F115 HydrophobicContact CG-CD2 4.31Å; R96-F115 HydrophobicContact CG-CE1 3.5Å; R96-F115 HydrophobicContact CG-CE2 3.96Å; R96-F115 HydrophobicContact CG-CG 4.26Å; R96-F115 HydrophobicContact CG-CZ 3.57Å; R96-F115 VanDerWaalsContact NE-CZ 3.32Å; F115-Y122 HydrophobicContact CB-CD1 4.41Å; F115-Y122 WeakPolarHBondContact O-CB 3.43Å; F115-Y122 PolarHBondContact O-N 2.87Å; F115-I123 HydrophobicContact CB-CG2 4.21Å; F115-I123 HydrophobicContact CD2-CG2 4.09Å; F115-I123 HydrophobicContact CG-CG2 4.44Å; F115-I123 PolarHBondContact N-O 2.82Å; F115-I123 PolarHBondContact O-N 2.9Å; F115-W146 AromaticContact CD2-CH2 3.79Å; F115-W146 HydrophobicContact CD2-CH2 3.79Å; F115-W146 HydrophobicContact CD2-CZ3 4.27Å; F115-W146 AromaticContact CE2-CH2 3.4Å; F115-W146 HydrophobicContact CE2-CH2 3.4Å; F115-W146 VanDerWaalsContact CE2-CH2 3.4Å; F115-W146 HydrophobicContact CE2-CZ2 4.44Å; F115-W146 HydrophobicContact CE2-CZ3 4Å; F115-W146 AromaticContact CZ-CH2 3.81Å; F115-W146 HydrophobicContact CZ-CH2 3.81Å; F115-W146 HydrophobicContact CZ-CZ2 4.45Å
116A98.9Very high98Very high15 Ų1553.6 Ų53.612%0.12428%0.277CS..EExtended strand (participates in β ladder)trans-126.3145.4171.400000110.3Q95 K120Q95-A116 HydrophobicContact CB-CB 4.35Å; Q95-A116 PolarHBondContact N-O 2.98Å; Q95-A116 PolarHBondContact O-N 3.24Å; A116-K120 CarbonylContact C-O 3.59Å; A116-K120 WeakPolarHBondContact CA-O 3.38Å; A116-K120 VanDerWaalsContact CB-O 3.24Å; A116-K120 WeakPolarHBondContact CB-O 3.32Å
117Y98.8Very high98.3Very high11 Ų1159 Ų594%0.04330%0.297CS..EExtended strand (participates in β ladder)trans-123.6126.3176.3-174.6-122.1000109.8L77 L80 Y84 Q86 H92 T93 G119 K120L77-Y117 HydrophobicContact CD2-CE2 3.99Å; L80-Y117 HydrophobicContact CB-CD1 4.39Å; L80-Y117 HydrophobicContact CB-CD2 4.2Å; L80-Y117 HydrophobicContact CB-CE1 4.02Å; L80-Y117 HydrophobicContact CB-CE2 3.84Å; L80-Y117 HydrophobicContact CB-CG 4.46Å; L80-Y117 HydrophobicContact CD1-CD2 3.63Å; L80-Y117 HydrophobicContact CD1-CE2 3.94Å; L80-Y117 HydrophobicContact CD1-CG 4.11Å; L80-Y117 HydrophobicContact CD2-CG 4.43Å; L80-Y117 HydrophobicContact CG-CD2 4.39Å; L80-Y117 HydrophobicContact CG-CE2 4.47Å; Y84-Y117 AromaticContact CD2-CD1 3.7Å; Y84-Y117 HydrophobicContact CD2-CD1 3.7Å; Y84-Y117 AromaticContact CD2-CE1 3.49Å; Y84-Y117 HydrophobicContact CD2-CE1 3.49Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.49Å; Y84-Y117 AromaticContact CE2-CD1 3.49Å; Y84-Y117 HydrophobicContact CE2-CD1 3.49Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.49Å; Y84-Y117 AromaticContact CE2-CE1 3.83Å; Y84-Y117 HydrophobicContact CE2-CE1 3.83Å; Y84-Y117 HydrophobicContact CE2-CG 4.5Å; Y84-Y117 HydrophobicContact CG-CE1 4.37Å; Q86-Y117 PolarHBondContact OE1-OH 3.32Å; H92-Y117 HydrophobicContact CB-CE2 3.77Å; H92-Y117 WeakPolarHBondContact CB-OH 3.38Å; H92-Y117 AromaticContact CG-CZ 3.99Å; H92-Y117 AromaticContact ND1-CZ 3.93Å; H92-Y117 PolarHBondContact ND1-OH 2.82Å; T93-Y117 WeakPolarHBondContact O-CA 3.44Å; T93-Y117 VanDerWaalsContact O-CD2 3.24Å; T93-Y117 WeakPolarHBondContact O-CD2 3.39Å; Y117-G119 PolarHBondContact O-N 2.76Å; Y117-K120 PolarHBondContact N-O 2.82Å; Y117-K120 PolarHBondContact O-N 2.82Å; Y117-K120 VanDerWaalsContact O-N 3.07Å
118D98.4Very high98.4Very high64 Ų6454.5 Ų54.534%0.34229%0.286SS..THydrogen-bonded Turntrans48.941.5-174.4-65.5-23000113.2H92 T93 K120H92-D118 WeakPolarHBondContact CA-OD1 3.49Å; H92-D118 WeakPolarHBondContact CB-OD1 3.36Å; H92-D118 IonicContact CE1-OD2 2.79Å; H92-D118 IonicContact CG-OD1 3.75Å; H92-D118 IonicContact CG-OD2 3.27Å; H92-D118 IonicContact ND1-OD1 2.66Å; H92-D118 IonicContact ND1-OD2 3.47Å; H92-D118 PolarHBondContact ND1-OD2 2.93Å; T93-D118 PolarHBondContact N-OD1 2.78Å; T93-D118 PolarHBondContact O-N 2.92Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 2.9Å
119G97.8Very high98.4Very high60 Ų6052.3 Ų52.362%0.61928%0.275SS*.THydrogen-bonded Turntrans78.75.3177.200000115.4Y117Y117-G119 PolarHBondContact O-N 2.76Å
120K98.6Very high98.4Very high159 Ų15954.1 Ų54.169%0.69127%0.273SS*.EExtended strand (participates in β ladder)trans-113.2144.3177.1-62.5-178.9-177.91790111A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.59Å; A116-K120 WeakPolarHBondContact CA-O 3.38Å; A116-K120 VanDerWaalsContact CB-O 3.24Å; A116-K120 WeakPolarHBondContact CB-O 3.32Å; Y117-K120 PolarHBondContact N-O 2.82Å; Y117-K120 PolarHBondContact O-N 2.82Å; Y117-K120 VanDerWaalsContact O-N 3.07Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 2.9Å; K120-Y122 PolarHBondContact O-N 2.73Å
121D98.8Very high98.4Very high122 Ų12251.6 Ų51.665%0.65227%0.269SS*.EExtended strand (participates in β ladder)trans-52.7135.6173.8-71.5-30000110.8A135D121-A135 HydrophobicContact CB-CB 4.45Å; D121-A135 WeakPolarHBondContact O-CB 3.49Å
122Y98.8Very high98.5Very high9 Ų952 Ų524%0.03527%0.269CS..EExtended strand (participates in β ladder)trans-114.6-63.5-179.6179.3-111.6000110.6L80 Y84 F115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.32Å; L80-Y122 HydrophobicContact CD2-CD2 4.05Å; L80-Y122 HydrophobicContact CD2-CE1 3.77Å; L80-Y122 HydrophobicContact CD2-CE2 3.46Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.46Å; L80-Y122 HydrophobicContact CD2-CG 4.46Å; Y84-Y122 HydrophobicContact CE2-CD2 4.39Å; Y84-Y122 HydrophobicContact CE2-CE2 4.11Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.29Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.41Å; F115-Y122 HydrophobicContact CB-CD1 4.41Å; F115-Y122 WeakPolarHBondContact O-CB 3.43Å; F115-Y122 PolarHBondContact O-N 2.87Å; K120-Y122 PolarHBondContact O-N 2.73Å; Y122-A135 WeakPolarHBondContact O-CB 3.37Å; Y122-A135 PolarHBondContact O-N 3.45Å; Y122-A138 HydrophobicContact CE2-CB 4.5Å; Y122-A138 PolarHBondContact OH-O 3.11Å; Y122-A139 HydrophobicContact CD2-CB 3.82Å; Y122-A139 VanDerWaalsContact CE2-CA 3.45Å; Y122-A139 HydrophobicContact CE2-CB 3.65Å; Y122-A139 HydrophobicContact CG-CB 4.33Å; Y122-A139 WeakPolarHBondContact O-CB 3.37Å; Y122-T142 HydrophobicContact CE1-CG2 4.23Å; Y122-T142 WeakPolarHBondContact OH-CB 3.24Å; Y122-T142 PolarHBondContact OH-OG1 3.39Å
123I98.8Very high98.5Very high3 Ų354 Ų542%0.01529%0.286CS..EExtended strand (participates in β ladder)trans-150.5139.4178.5-163172.2000110.6Q114 F115 W132 T133 T142 Q143 W146Q114-I123 WeakPolarHBondContact CA-O 3.13Å; F115-I123 HydrophobicContact CB-CG2 4.21Å; F115-I123 HydrophobicContact CD2-CG2 4.09Å; F115-I123 HydrophobicContact CG-CG2 4.44Å; F115-I123 PolarHBondContact N-O 2.82Å; F115-I123 PolarHBondContact O-N 2.9Å; I123-W132 HydrophobicContact CD1-CB 4.18Å; I123-W132 HydrophobicContact CD1-CD2 4.46Å; I123-W132 HydrophobicContact CD1-CE3 4.31Å; I123-W132 HydrophobicContact CD1-CG 4.43Å; I123-W132 HydrophobicContact CG1-CB 4.24Å; I123-W132 HydrophobicContact CG1-CE3 4.12Å; I123-T133 WeakPolarHBondContact CA-O 3.46Å; I123-T133 WeakPolarHBondContact CG1-O 3.26Å; I123-T142 HydrophobicContact CD1-CG2 4.24Å; I123-Q143 HydrophobicContact CD1-CB 3.87Å; I123-W146 HydrophobicContact CD1-CE3 4.12Å; I123-W146 HydrophobicContact CD1-CZ3 4.29Å; I123-W146 HydrophobicContact CG2-CH2 3.96Å; I123-W146 HydrophobicContact CG2-CZ3 3.68Å
124A98.8Very high98.5Very high31 Ų3155 Ų5526%0.25629%0.294SS..EExtended strand (participates in β ladder)trans-131.6138.618000000111.6Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.82Å; A124-W132 CarbonylContact O-C 3.59Å; A124-W132 WeakPolarHBondContact O-CA 3.06Å; A124-T133 PolarHBondContact N-O 3.07Å; A124-T133 PolarHBondContact O-N 3.41Å
125L98.8Very high98.5Very high13 Ų1354.6 Ų54.67%0.06830%0.303CS..EExtended strand (participates in β ladder)trans-71.7127167.3-175.168.2000108.4N113 L129 W132 A152 R155 L159N113-L125 HydrophobicContact CB-CB 4.08Å; N113-L125 HydrophobicContact CB-CD2 4.23Å; N113-L125 WeakPolarHBondContact O-CB 3.12Å; N113-L125 PolarHBondContact O-N 2.94Å; L125-L129 HydrophobicContact CD2-CB 4.41Å; L125-L129 HydrophobicContact CD2-CD2 3.84Å; L125-L129 HydrophobicContact CG-CD2 4.36Å; L125-W132 HydrophobicContact CB-CE3 3.95Å; L125-W132 HydrophobicContact CB-CH2 4.11Å; L125-W132 HydrophobicContact CB-CZ3 3.63Å; L125-W132 HydrophobicContact CD1-CD2 4.13Å; L125-W132 HydrophobicContact CD1-CE3 4.25Å; L125-W132 HydrophobicContact CD1-CH2 4.04Å; L125-W132 HydrophobicContact CD1-CZ2 3.9Å; L125-W132 HydrophobicContact CD1-CZ3 4.19Å; L125-W132 HydrophobicContact CG-CZ3 4.49Å; L125-A152 HydrophobicContact CD1-CB 3.95Å; L125-R155 HydrophobicContact CD2-CB 3.98Å; L125-L159 HydrophobicContact CD2-CD1 3.96Å
126N98.6Very high98.4Very high44 Ų4456.5 Ų56.524%0.23531%0.314CS..  trans-70.8164.2-179.8-66.4-23.9000111.3D128 L129 S131 T133N126-D128 PolarHBondContact O-N 3.28Å; N126-D128 VanDerWaalsContact O-N 3.11Å; N126-L129 WeakPolarHBondContact O-CA 3.32Å; N126-L129 PolarHBondContact O-N 3.13Å; N126-S131 WeakPolarHBondContact CB-O 3.47Å; N126-S131 WeakPolarHBondContact CB-OG 3.29Å; N126-S131 PolarHBondContact N-O 2.72Å; N126-S131 PolarHBondContact ND2-OG 3.49Å; N126-T133 PolarHBondContact ND2-OG1 3.38Å; N126-T133 WeakPolarHBondContact OD1-CB 3.41Å; N126-T133 PolarHBondContact OD1-N 3.3Å; N126-T133 PolarHBondContact OD1-OG1 3.38Å
127E97.8Very high98.4Very high130 Ų13064.3 Ų64.361%0.60735%0.345SS*.THydrogen-bonded Turntrans-59.4-23.7-179.2-66.8179.8-162.400113.5R110 L129R110-E127 IonicContact CZ-OE1 3.66Å; R110-E127 IonicContact NH1-OE1 2.78Å; R110-E127 PolarHBondContact NH1-OE1 3.12Å; R110-E127 IonicContact NH1-OE2 3.6Å; R110-E127 VanDerWaalsContact NH2-CG 3.31Å; R110-E127 IonicContact NH2-OE1 3.26Å; R110-E127 PolarHBondContact NH2-OE1 3.48Å; E127-L129 PolarHBondContact O-N 3.05Å
128D97.7Very high98.4Very high78 Ų7864.2 Ų64.242%0.41735%0.347SS..THydrogen-bonded Turntrans-69-9.5174.169.93.1000113.9N126 R130 S131N126-D128 PolarHBondContact O-N 3.28Å; N126-D128 VanDerWaalsContact O-N 3.11Å; D128-R130 WeakPolarHBondContact O-CG 3.2Å; D128-R130 PolarHBondContact O-N 3.19Å; D128-R130 PolarHBondContact OD1-N 3.28Å; D128-S131 VanDerWaalsContact CG-OG 3.23Å; D128-S131 PolarHBondContact OD1-N 2.99Å; D128-S131 PolarHBondContact OD1-OG 2.79Å; D128-S131 WeakPolarHBondContact OD2-CB 3.17Å; D128-S131 PolarHBondContact OD2-OG 3.27Å
129L98.1Very high98.4Very high9 Ų961.2 Ų61.25%0.04733%0.33CS..SBendtrans5426.4-174.8-51.9-177.6000113.8L108 L125 N126 E127 R156 L159 E160L108-L129 HydrophobicContact CD2-CD1 4.26Å; L125-L129 HydrophobicContact CD2-CB 4.41Å; L125-L129 HydrophobicContact CD2-CD2 3.84Å; L125-L129 HydrophobicContact CG-CD2 4.36Å; N126-L129 WeakPolarHBondContact O-CA 3.32Å; N126-L129 PolarHBondContact O-N 3.13Å; E127-L129 PolarHBondContact O-N 3.05Å; L129-R156 HydrophobicContact CB-CB 4.08Å; L129-R156 HydrophobicContact CB-CG 3.9Å; L129-R156 HydrophobicContact CD1-CG 4.25Å; L129-L159 HydrophobicContact CD1-CB 4.45Å; L129-L159 HydrophobicContact CD2-CD1 3.92Å; L129-E160 HydrophobicContact CD1-CG 4.26Å
130R97.7Very high98.4Very high166 Ų16662 Ų6263%0.62632%0.318SS*.SBendtrans-132.9-32.4-173.6-71.4170.1-174.9-113.512.6112.7D128 A152 R156D128-R130 WeakPolarHBondContact O-CG 3.2Å; D128-R130 PolarHBondContact O-N 3.19Å; D128-R130 PolarHBondContact OD1-N 3.28Å; R130-A152 WeakPolarHBondContact O-CB 3.32Å; R130-R156 VanDerWaalsContact CZ-NH1 3.32Å
131S98.1Very high98.4Very high40 Ų4057.2 Ų57.228%0.2830%0.3SS..  trans-115.8163.5-177.363.90000111.9N126 D128N126-S131 WeakPolarHBondContact CB-O 3.47Å; N126-S131 WeakPolarHBondContact CB-OG 3.29Å; N126-S131 PolarHBondContact N-O 2.72Å; N126-S131 PolarHBondContact ND2-OG 3.49Å; D128-S131 VanDerWaalsContact CG-OG 3.23Å; D128-S131 PolarHBondContact OD1-N 2.99Å; D128-S131 PolarHBondContact OD1-OG 2.79Å; D128-S131 WeakPolarHBondContact OD2-CB 3.17Å; D128-S131 PolarHBondContact OD2-OG 3.27Å
132W98.8Very high98.4Very high11 Ų1152.2 Ų52.24%0.04227%0.273CS..EExtended strand (participates in β ladder)trans-119.9145.2-178.2-59.191.2000111N113 I123 A124 L125 Q143 W146 E151 A152 R155N113-W132 WeakPolarHBondContact ND2-CH2 3.24Å; I123-W132 HydrophobicContact CD1-CB 4.18Å; I123-W132 HydrophobicContact CD1-CD2 4.46Å; I123-W132 HydrophobicContact CD1-CE3 4.31Å; I123-W132 HydrophobicContact CD1-CG 4.43Å; I123-W132 HydrophobicContact CG1-CB 4.24Å; I123-W132 HydrophobicContact CG1-CE3 4.12Å; A124-W132 CarbonylContact O-C 3.59Å; A124-W132 WeakPolarHBondContact O-CA 3.06Å; L125-W132 HydrophobicContact CB-CE3 3.95Å; L125-W132 HydrophobicContact CB-CH2 4.11Å; L125-W132 HydrophobicContact CB-CZ3 3.63Å; L125-W132 HydrophobicContact CD1-CD2 4.13Å; L125-W132 HydrophobicContact CD1-CE3 4.25Å; L125-W132 HydrophobicContact CD1-CH2 4.04Å; L125-W132 HydrophobicContact CD1-CZ2 3.9Å; L125-W132 HydrophobicContact CD1-CZ3 4.19Å; L125-W132 HydrophobicContact CG-CZ3 4.49Å; W132-Q143 HydrophobicContact CB-CG 4.18Å; W132-Q143 PolarHBondContact O-NE2 3.24Å; W132-W146 AromaticContact CD2-CE3 3.91Å; W132-W146 HydrophobicContact CD2-CE3 3.91Å; W132-W146 HydrophobicContact CD2-CZ3 4.42Å; W132-W146 AromaticContact CE2-CE3 3.76Å; W132-W146 AromaticContact CE3-CE3 3.78Å; W132-W146 HydrophobicContact CE3-CE3 3.78Å; W132-W146 AromaticContact CE3-CZ3 3.81Å; W132-W146 HydrophobicContact CE3-CZ3 3.81Å; W132-W146 HydrophobicContact CH2-CD2 4.49Å; W132-W146 AromaticContact CH2-CE3 3.37Å; W132-W146 HydrophobicContact CH2-CE3 3.37Å; W132-W146 AromaticContact CH2-CZ3 3.42Å; W132-W146 HydrophobicContact CH2-CZ3 3.42Å; W132-W146 VanDerWaalsContact CH2-CZ3 3.42Å; W132-W146 HydrophobicContact CZ2-CD2 4.39Å; W132-W146 AromaticContact CZ2-CE3 3.51Å; W132-W146 HydrophobicContact CZ2-CE3 3.51Å; W132-W146 HydrophobicContact CZ2-CZ3 4.07Å; W132-W146 AromaticContact CZ3-CE3 3.53Å; W132-W146 HydrophobicContact CZ3-CE3 3.53Å; W132-W146 AromaticContact CZ3-CZ3 3.29Å; W132-W146 HydrophobicContact CZ3-CZ3 3.29Å; W132-E151 HydrophobicContact CZ2-CB 4.18Å; W132-A152 HydrophobicContact CZ2-CB 4.27Å; W132-R155 HydrophobicContact CH2-CG 4.36Å
133T98.8Very high98.4Very high79 Ų7953.7 Ų53.749%0.48528%0.281SS..EExtended strand (participates in β ladder)trans-106.1117.4165.6-65.40000108.9I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.46Å; I123-T133 WeakPolarHBondContact CG1-O 3.26Å; A124-T133 PolarHBondContact N-O 3.07Å; A124-T133 PolarHBondContact O-N 3.41Å; N126-T133 PolarHBondContact ND2-OG1 3.38Å; N126-T133 WeakPolarHBondContact OD1-CB 3.41Å; N126-T133 PolarHBondContact OD1-N 3.3Å; N126-T133 PolarHBondContact OD1-OG1 3.38Å
134A98.7Very high98.4Very high22 Ų2261.2 Ų61.218%0.18231%0.309CS..EExtended strand (participates in β ladder)trans-96.8130.3175.900000110.1A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.7Å; A134-Q140 HydrophobicContact CB-CG 3.95Å; A134-Q143 HydrophobicContact CB-CB 4.42Å
135A98.5Very high98.4Very high62 Ų6265.1 Ų65.151%0.51232%0.32SS..SBendtrans-73.2-30.2-175.700000113.4D121 Y122D121-A135 HydrophobicContact CB-CB 4.45Å; D121-A135 WeakPolarHBondContact O-CB 3.49Å; Y122-A135 WeakPolarHBondContact O-CB 3.37Å; Y122-A135 PolarHBondContact O-N 3.45Å
136D98.3Very high98.3Very high58 Ų5867 Ų6731%0.3133%0.326SS..SBendtrans-152.3-175.7-178.266.828.5000113.2Y84 A138 A139 Q140Y84-D136 WeakPolarHBondContact CE1-OD2 3.37Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 2.93Å; Y84-D136 PolarHBondContact OH-OD2 3.3Å; D136-A138 VanDerWaalsContact C-N 3.28Å; D136-A138 PolarHBondContact O-N 3.29Å; D136-A138 WeakPolarHBondContact OD1-CA 3.43Å; D136-A138 WeakPolarHBondContact OD1-CB 3.41Å; D136-A138 PolarHBondContact OD1-N 2.92Å; D136-A139 PolarHBondContact O-N 3.29Å; D136-A139 PolarHBondContact OD1-N 2.69Å; D136-Q140 WeakPolarHBondContact O-CG 3.38Å; D136-Q140 PolarHBondContact O-N 2.92Å
137K98.3Very high98.3Very high180 Ų18069.4 Ų69.478%0.78334%0.336SS*.Hα-helixtrans-62.5-30.7179.1-69.4-178.5179.21770113.4
138A98Very high98.4Very high9 Ų967.4 Ų67.47%0.07434%0.342CS..Hα-helixtrans-73.9-39.6177.200000110.6Y84 Y122 D136 Q140 I141Y84-A138 HydrophobicContact CD1-CB 4.18Å; Y84-A138 HydrophobicContact CD2-CB 4.41Å; Y84-A138 HydrophobicContact CE1-CB 3.64Å; Y84-A138 HydrophobicContact CE2-CB 3.88Å; Y84-A138 VanDerWaalsContact CZ-CB 3.47Å; Y122-A138 HydrophobicContact CE2-CB 4.5Å; Y122-A138 PolarHBondContact OH-O 3.11Å; D136-A138 VanDerWaalsContact C-N 3.28Å; D136-A138 PolarHBondContact O-N 3.29Å; D136-A138 WeakPolarHBondContact OD1-CA 3.43Å; D136-A138 WeakPolarHBondContact OD1-CB 3.41Å; D136-A138 PolarHBondContact OD1-N 2.92Å; A138-Q140 VanDerWaalsContact C-N 3.32Å; A138-Q140 PolarHBondContact O-N 2.86Å; A138-I141 WeakPolarHBondContact O-CB 3.4Å; A138-I141 PolarHBondContact O-N 2.92Å
139A98.5Very high98.4Very high0 Ų066.2 Ų66.20%034%0.343CS..Hα-helixtrans-63.4-35172.800000113Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD2-CB 3.82Å; Y122-A139 VanDerWaalsContact CE2-CA 3.45Å; Y122-A139 HydrophobicContact CE2-CB 3.65Å; Y122-A139 HydrophobicContact CG-CB 4.33Å; Y122-A139 WeakPolarHBondContact O-CB 3.37Å; A134-A139 HydrophobicContact CB-CB 3.7Å; D136-A139 PolarHBondContact O-N 3.29Å; D136-A139 PolarHBondContact OD1-N 2.69Å; A139-I141 PolarHBondContact O-N 3.4Å; A139-T142 WeakPolarHBondContact O-CB 3.43Å; A139-T142 PolarHBondContact O-N 2.83Å; A139-Q143 PolarHBondContact O-N 2.8Å
140Q98.7Very high98.4Very high77 Ų7773.3 Ų73.336%0.3637%0.369SS..Hα-helixtrans-59.9-28.2174.3-73174.24.800113.1A134 D136 A138 R144A134-Q140 HydrophobicContact CB-CG 3.95Å; D136-Q140 WeakPolarHBondContact O-CG 3.38Å; D136-Q140 PolarHBondContact O-N 2.92Å; A138-Q140 VanDerWaalsContact C-N 3.32Å; A138-Q140 PolarHBondContact O-N 2.86Å; Q140-R144 WeakPolarHBondContact O-CG 3.4Å; Q140-R144 PolarHBondContact O-N 3.44Å; Q140-R144 VanDerWaalsContact O-N 3.11Å
141I98.4Very high98.4Very high59 Ų5967.4 Ų67.430%0.30335%0.348SS..Hα-helixtrans-65.3-44.6174.1-58.4170.6000109.9Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.02Å; Y83-I141 HydrophobicContact CE1-CD1 4.32Å; Y83-I141 HydrophobicContact CE1-CG2 3.91Å; Y83-I141 HydrophobicContact CE2-CB 4.29Å; Y83-I141 HydrophobicContact CE2-CG2 4.16Å; Y83-I141 HydrophobicContact CG-CD1 4.17Å; A138-I141 WeakPolarHBondContact O-CB 3.4Å; A138-I141 PolarHBondContact O-N 2.92Å; A139-I141 PolarHBondContact O-N 3.4Å; I141-K145 WeakPolarHBondContact O-CG 3.42Å; I141-K145 PolarHBondContact O-N 3.07Å
142T98.4Very high98.4Very high16 Ų1665.9 Ų65.910%0.09834%0.339CS..Hα-helixtrans-67-42.9176.4-65.90000111.4Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.23Å; Y122-T142 WeakPolarHBondContact OH-CB 3.24Å; Y122-T142 PolarHBondContact OH-OG1 3.39Å; I123-T142 HydrophobicContact CD1-CG2 4.24Å; A139-T142 WeakPolarHBondContact O-CB 3.43Å; A139-T142 PolarHBondContact O-N 2.83Å; T142-R144 PolarHBondContact O-N 3.44Å; T142-K145 WeakPolarHBondContact O-CB 3.48Å; T142-K145 PolarHBondContact O-N 3.04Å; T142-K145 VanDerWaalsContact O-N 3.13Å; T142-W146 HydrophobicContact CG2-CD2 3.78Å; T142-W146 HydrophobicContact CG2-CE3 4.25Å; T142-W146 HydrophobicContact CG2-CG 4.17Å; T142-W146 HydrophobicContact CG2-CH2 4.27Å; T142-W146 HydrophobicContact CG2-CZ2 3.83Å; T142-W146 HydrophobicContact CG2-CZ3 4.47Å; T142-W146 WeakPolarHBondContact O-CB 3.31Å; T142-W146 PolarHBondContact O-N 2.87Å
143Q98.6Very high98.4Very high41 Ų4170.7 Ų70.719%0.19236%0.362CS..Hα-helixtrans-52.1-52.6175.5177.6174.410.300111.7I123 W132 A134 A139 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.87Å; W132-Q143 HydrophobicContact CB-CG 4.18Å; W132-Q143 PolarHBondContact O-NE2 3.24Å; A134-Q143 HydrophobicContact CB-CB 4.42Å; A139-Q143 PolarHBondContact O-N 2.8Å; Q143-K145 VanDerWaalsContact C-N 3.3Å; Q143-K145 PolarHBondContact O-N 3.28Å; Q143-W146 PolarHBondContact O-N 2.92Å; Q143-W146 VanDerWaalsContact O-N 3.13Å; Q143-E147 HydrophobicContact CG-CG 4.29Å; Q143-E147 VanDerWaalsContact CG-OE1 3.24Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.37Å; Q143-E147 PolarHBondContact NE2-OE1 2.61Å; Q143-E147 WeakPolarHBondContact O-CB 3.1Å; Q143-E147 WeakPolarHBondContact O-CG 3.24Å; Q143-E147 PolarHBondContact O-N 3.31Å
144R98.6Very high98.3Very high160 Ų16072.6 Ų72.660%0.60437%0.365SS*.Hα-helixtrans-59.3-39.8179.3-68.8172.5-165.6152.27.2112.6Q140 T142 A148Q140-R144 WeakPolarHBondContact O-CG 3.4Å; Q140-R144 PolarHBondContact O-N 3.44Å; Q140-R144 VanDerWaalsContact O-N 3.11Å; T142-R144 PolarHBondContact O-N 3.44Å; R144-A148 WeakPolarHBondContact O-CB 3.3Å; R144-A148 PolarHBondContact O-N 2.73Å
145K98.2Very high98.2Very high113 Ų11374.8 Ų74.849%0.49137%0.368SS..Hα-helixtrans-64.3-44.1176.6-72.2178.3176.9-175.80111.2Y83 I141 T142 Q143 A148 A149Y83-K145 PolarHBondContact OH-NZ 3.49Å; I141-K145 WeakPolarHBondContact O-CG 3.42Å; I141-K145 PolarHBondContact O-N 3.07Å; T142-K145 WeakPolarHBondContact O-CB 3.48Å; T142-K145 PolarHBondContact O-N 3.04Å; T142-K145 VanDerWaalsContact O-N 3.13Å; Q143-K145 VanDerWaalsContact C-N 3.3Å; Q143-K145 PolarHBondContact O-N 3.28Å; K145-A148 PolarHBondContact O-N 3.46Å; K145-A149 WeakPolarHBondContact O-CB 3.39Å; K145-A149 PolarHBondContact O-N 2.83Å
146W98.4Very high98.2Very high53 Ų5375.2 Ų75.220%0.20136%0.357CS..Hα-helixtrans-71.8-35.2-178.8-75.67.4000113F115 I123 W132 T142 Q143 A149 R150 E151F115-W146 AromaticContact CD2-CH2 3.79Å; F115-W146 HydrophobicContact CD2-CH2 3.79Å; F115-W146 HydrophobicContact CD2-CZ3 4.27Å; F115-W146 AromaticContact CE2-CH2 3.4Å; F115-W146 HydrophobicContact CE2-CH2 3.4Å; F115-W146 VanDerWaalsContact CE2-CH2 3.4Å; F115-W146 HydrophobicContact CE2-CZ2 4.44Å; F115-W146 HydrophobicContact CE2-CZ3 4Å; F115-W146 AromaticContact CZ-CH2 3.81Å; F115-W146 HydrophobicContact CZ-CH2 3.81Å; F115-W146 HydrophobicContact CZ-CZ2 4.45Å; I123-W146 HydrophobicContact CD1-CE3 4.12Å; I123-W146 HydrophobicContact CD1-CZ3 4.29Å; I123-W146 HydrophobicContact CG2-CH2 3.96Å; I123-W146 HydrophobicContact CG2-CZ3 3.68Å; W132-W146 AromaticContact CD2-CE3 3.91Å; W132-W146 HydrophobicContact CD2-CE3 3.91Å; W132-W146 HydrophobicContact CD2-CZ3 4.42Å; W132-W146 AromaticContact CE2-CE3 3.76Å; W132-W146 AromaticContact CE3-CE3 3.78Å; W132-W146 HydrophobicContact CE3-CE3 3.78Å; W132-W146 AromaticContact CE3-CZ3 3.81Å; W132-W146 HydrophobicContact CE3-CZ3 3.81Å; W132-W146 HydrophobicContact CH2-CD2 4.49Å; W132-W146 AromaticContact CH2-CE3 3.37Å; W132-W146 HydrophobicContact CH2-CE3 3.37Å; W132-W146 AromaticContact CH2-CZ3 3.42Å; W132-W146 HydrophobicContact CH2-CZ3 3.42Å; W132-W146 VanDerWaalsContact CH2-CZ3 3.42Å; W132-W146 HydrophobicContact CZ2-CD2 4.39Å; W132-W146 AromaticContact CZ2-CE3 3.51Å; W132-W146 HydrophobicContact CZ2-CE3 3.51Å; W132-W146 HydrophobicContact CZ2-CZ3 4.07Å; W132-W146 AromaticContact CZ3-CE3 3.53Å; W132-W146 HydrophobicContact CZ3-CE3 3.53Å; W132-W146 AromaticContact CZ3-CZ3 3.29Å; W132-W146 HydrophobicContact CZ3-CZ3 3.29Å; T142-W146 HydrophobicContact CG2-CD2 3.78Å; T142-W146 HydrophobicContact CG2-CE3 4.25Å; T142-W146 HydrophobicContact CG2-CG 4.17Å; T142-W146 HydrophobicContact CG2-CH2 4.27Å; T142-W146 HydrophobicContact CG2-CZ2 3.83Å; T142-W146 HydrophobicContact CG2-CZ3 4.47Å; T142-W146 WeakPolarHBondContact O-CB 3.31Å; T142-W146 PolarHBondContact O-N 2.87Å; Q143-W146 PolarHBondContact O-N 2.92Å; Q143-W146 VanDerWaalsContact O-N 3.13Å; W146-A149 CarbonylContact O-C 3.49Å; W146-A149 PolarHBondContact O-N 3.23Å; W146-R150 WeakPolarHBondContact O-CA 3.22Å; W146-R150 PolarHBondContact O-N 3.33Å; W146-E151 HydrophobicContact CB-CB 3.91Å; W146-E151 HydrophobicContact CB-CG 3.95Å; W146-E151 HydrophobicContact CD2-CB 4.49Å; W146-E151 HydrophobicContact CD2-CG 4.44Å; W146-E151 HydrophobicContact CG-CB 4.08Å; W146-E151 HydrophobicContact CG-CG 3.82Å; W146-E151 PolarHBondContact O-N 2.87Å
147E98.5Very high98.3Very high94 Ų9475.5 Ų75.544%0.43937%0.367SS..Hα-helixtrans-64.7-47.2171.6-73.7169.5174.100111Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.29Å; Q143-E147 VanDerWaalsContact CG-OE1 3.24Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.37Å; Q143-E147 PolarHBondContact NE2-OE1 2.61Å; Q143-E147 WeakPolarHBondContact O-CB 3.1Å; Q143-E147 WeakPolarHBondContact O-CG 3.24Å; Q143-E147 PolarHBondContact O-N 3.31Å; E147-A149 VanDerWaalsContact C-N 3.27Å; E147-A149 PolarHBondContact O-N 2.81Å; E147-R150 PolarHBondContact O-N 3.09Å; E147-R150 VanDerWaalsContact O-N 3.07Å
148A98.4Very high98.3Very high89 Ų8969.3 Ų69.374%0.73634%0.339SS*.Hα-helixtrans-61-35.9176.300000112.7R144 K145R144-A148 WeakPolarHBondContact O-CB 3.3Å; R144-A148 PolarHBondContact O-N 2.73Å; K145-A148 PolarHBondContact O-N 3.46Å
149A98.1Very high98.3Very high53 Ų5369 Ų6944%0.43834%0.336SS..THydrogen-bonded Turntrans-86.5-1.117700000114.2K145 W146 E147 E151K145-A149 WeakPolarHBondContact O-CB 3.39Å; K145-A149 PolarHBondContact O-N 2.83Å; W146-A149 CarbonylContact O-C 3.49Å; W146-A149 PolarHBondContact O-N 3.23Å; E147-A149 VanDerWaalsContact C-N 3.27Å; E147-A149 PolarHBondContact O-N 2.81Å; A149-E151 HydrophobicContact CB-CG 4.14Å; A149-E151 PolarHBondContact O-N 2.88Å
150R97.9Very high98.3Very high157 Ų15773.3 Ų73.359%0.59236%0.356SS*.THydrogen-bonded Turntrans52.438.3-176.6-58.5178.5172.4-148.26.2113.9W146 E147 A152 E153W146-R150 WeakPolarHBondContact O-CA 3.22Å; W146-R150 PolarHBondContact O-N 3.33Å; E147-R150 PolarHBondContact O-N 3.09Å; E147-R150 VanDerWaalsContact O-N 3.07Å; R150-A152 PolarHBondContact O-N 3.22Å; R150-E153 HydrophobicContact CB-CG 4.25Å; R150-E153 WeakPolarHBondContact CD-OE1 3.43Å; R150-E153 IonicContact CZ-OE1 3.3Å; R150-E153 IonicContact NE-OE1 3.49Å; R150-E153 IonicContact NH1-OE1 3.99Å; R150-E153 PolarHBondContact NH1-OE1 3.43Å; R150-E153 IonicContact NH1-OE2 3.96Å; R150-E153 WeakPolarHBondContact O-CB 3.23Å; R150-E153 PolarHBondContact O-N 2.93Å; R150-E153 VanDerWaalsContact O-N 3.07Å
151E97.8Very high98.3Very high42 Ų4270.6 Ų70.620%0.19635%0.349CS..Hα-helixtrans-58-32.8-178.2-75.7-74.8161.300112.7W132 W146 A149 E153 Q154 R155W132-E151 HydrophobicContact CZ2-CB 4.18Å; W146-E151 HydrophobicContact CB-CB 3.91Å; W146-E151 HydrophobicContact CB-CG 3.95Å; W146-E151 HydrophobicContact CD2-CB 4.49Å; W146-E151 HydrophobicContact CD2-CG 4.44Å; W146-E151 HydrophobicContact CG-CB 4.08Å; W146-E151 HydrophobicContact CG-CG 3.82Å; W146-E151 PolarHBondContact O-N 2.87Å; A149-E151 HydrophobicContact CB-CG 4.14Å; A149-E151 PolarHBondContact O-N 2.88Å; E151-E153 VanDerWaalsContact C-N 3.28Å; E151-E153 PolarHBondContact O-N 3.47Å; E151-Q154 PolarHBondContact O-N 3.02Å; E151-R155 WeakPolarHBondContact O-CG 3.45Å; E151-R155 PolarHBondContact O-N 3.48Å; E151-R155 IonicContact OE2-NH2 3.58Å
152A98.4Very high98.2Very high9 Ų970.2 Ų70.27%0.07435%0.35CS..Hα-helixtrans-59.8-37.3177.700000112.3L125 R130 W132 R150 Q154 R155 R156L125-A152 HydrophobicContact CD1-CB 3.95Å; R130-A152 WeakPolarHBondContact O-CB 3.32Å; W132-A152 HydrophobicContact CZ2-CB 4.27Å; R150-A152 PolarHBondContact O-N 3.22Å; A152-Q154 PolarHBondContact O-N 3.29Å; A152-R155 PolarHBondContact O-N 2.78Å; A152-R156 VanDerWaalsContact O-CB 3.24Å; A152-R156 WeakPolarHBondContact O-CB 3.18Å; A152-R156 PolarHBondContact O-N 3.23Å
153E98.1Very high98.2Very high112 Ų11269.4 Ų69.452%0.52335%0.345SS..Hα-helixtrans-63.2-42.1178.5-63.3177.9-171.800111.2R150 E151 R156 A157R150-E153 HydrophobicContact CB-CG 4.25Å; R150-E153 WeakPolarHBondContact CD-OE1 3.43Å; R150-E153 IonicContact CZ-OE1 3.3Å; R150-E153 IonicContact NE-OE1 3.49Å; R150-E153 IonicContact NH1-OE1 3.99Å; R150-E153 PolarHBondContact NH1-OE1 3.43Å; R150-E153 IonicContact NH1-OE2 3.96Å; R150-E153 WeakPolarHBondContact O-CB 3.23Å; R150-E153 PolarHBondContact O-N 2.93Å; R150-E153 VanDerWaalsContact O-N 3.07Å; E151-E153 VanDerWaalsContact C-N 3.28Å; E151-E153 PolarHBondContact O-N 3.47Å; E153-R156 PolarHBondContact O-N 2.62Å; E153-A157 WeakPolarHBondContact O-CB 3.43Å; E153-A157 PolarHBondContact O-N 2.89Å
154Q97.2Very high98.2Very high118 Ų11867.9 Ų67.955%0.55134%0.338SS*.Hα-helixtrans-67.4-41.9177.1-60.9-176.82900111.9E151 A152 A157 Y158E151-Q154 PolarHBondContact O-N 3.02Å; A152-Q154 PolarHBondContact O-N 3.29Å; Q154-A157 PolarHBondContact O-N 2.99Å; Q154-Y158 PolarHBondContact O-N 3.39Å; Q154-Y158 VanDerWaalsContact O-N 3.12Å
155R98.1Very high98.2Very high68 Ų6866.2 Ų66.226%0.25734%0.337SS..Hα-helixtrans-64.9-43.2177.2-63.1-61.6165.5-156-6.2111.1R96 L125 W132 E151 A152 Y158 L159R96-R155 VanDerWaalsContact NH2-CZ 3.33Å; L125-R155 HydrophobicContact CD2-CB 3.98Å; W132-R155 HydrophobicContact CH2-CG 4.36Å; E151-R155 WeakPolarHBondContact O-CG 3.45Å; E151-R155 PolarHBondContact O-N 3.48Å; E151-R155 IonicContact OE2-NH2 3.58Å; A152-R155 PolarHBondContact O-N 2.78Å; R155-Y158 PolarHBondContact O-N 2.88Å; R155-L159 WeakPolarHBondContact O-CB 3.38Å; R155-L159 WeakPolarHBondContact O-CG 3.13Å; R155-L159 PolarHBondContact O-N 3.15Å
156R98.4Very high98.2Very high72 Ų7263 Ų6327%0.27232%0.322SS..Hα-helixtrans-59.2-47.8175.2-175.6173.2179.2-137.8-12.4112L129 R130 A152 E153 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.08Å; L129-R156 HydrophobicContact CB-CG 3.9Å; L129-R156 HydrophobicContact CD1-CG 4.25Å; R130-R156 VanDerWaalsContact CZ-NH1 3.32Å; A152-R156 VanDerWaalsContact O-CB 3.24Å; A152-R156 WeakPolarHBondContact O-CB 3.18Å; A152-R156 PolarHBondContact O-N 3.23Å; E153-R156 PolarHBondContact O-N 2.62Å; R156-Y158 VanDerWaalsContact C-N 3.29Å; R156-Y158 PolarHBondContact O-N 3.36Å; R156-L159 PolarHBondContact O-N 2.94Å; R156-L159 VanDerWaalsContact O-N 3.14Å; R156-E160 HydrophobicContact CG-CG 4.11Å; R156-E160 IonicContact CZ-OE1 2.92Å; R156-E160 VanDerWaalsContact CZ-OE1 3.3Å; R156-E160 IonicContact CZ-OE2 3.39Å; R156-E160 VanDerWaalsContact NE-CD 3.3Å; R156-E160 IonicContact NE-OE1 3.59Å; R156-E160 PolarHBondContact NE-OE1 3.11Å; R156-E160 IonicContact NE-OE2 2.72Å; R156-E160 PolarHBondContact NE-OE2 2.76Å; R156-E160 IonicContact NH2-OE1 3.89Å; R156-E160 PolarHBondContact NH2-OE1 3.12Å; R156-E160 IonicContact NH2-OE2 3.3Å; R156-E160 PolarHBondContact NH2-OE2 3.01Å; R156-E160 WeakPolarHBondContact O-CB 3.04Å; R156-E160 PolarHBondContact O-N 3.41Å
157A98.5Very high98.2Very high63 Ų6360.5 Ų60.552%0.52131%0.313SS..Hα-helixtrans-58.3-40.6177.600000112.5E153 Q154 G161E153-A157 WeakPolarHBondContact O-CB 3.43Å; E153-A157 PolarHBondContact O-N 2.89Å; Q154-A157 PolarHBondContact O-N 2.99Å; A157-G161 PolarHBondContact O-N 2.95Å; A157-G161 VanDerWaalsContact O-N 3.09Å
158Y98.4Very high98.2Very high51 Ų5161.8 Ų61.820%0.231%0.314CS..Iπ-helixtrans-65.8-46.7173.8171.7-95.5000112.4Y98 Q154 R155 R156 T162 C163Y98-Y158 AromaticContact CD2-CE1 3.78Å; Y98-Y158 HydrophobicContact CD2-CE1 3.78Å; Y98-Y158 AromaticContact CE2-CE1 3.63Å; Y98-Y158 HydrophobicContact CE2-CE1 3.63Å; Y98-Y158 AromaticContact CE2-CZ 3.86Å; Q154-Y158 PolarHBondContact O-N 3.39Å; Q154-Y158 VanDerWaalsContact O-N 3.12Å; R155-Y158 PolarHBondContact O-N 2.88Å; R156-Y158 VanDerWaalsContact C-N 3.29Å; R156-Y158 PolarHBondContact O-N 3.36Å; Y158-T162 HydrophobicContact CD2-CG2 3.92Å; Y158-T162 HydrophobicContact CE2-CG2 3.7Å; Y158-T162 PolarHBondContact O-N 3.36Å; Y158-T162 VanDerWaalsContact O-N 3.14Å; Y158-C163 HydrophobicContact CD1-CB 4.32Å; Y158-C163 HydrophobicContact CE1-CB 3.87Å; Y158-C163 WeakPolarHBondContact O-CB 3.41Å; Y158-C163 PolarHBondContact O-N 3.5Å
159L98.6Very high98.1Very high3 Ų363.2 Ų63.22%0.01630%0.3CS..Iπ-helixtrans-69.7-38.1-174.8-71.1172.6000112.8G99 L125 L129 R155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.2Å; L125-L159 HydrophobicContact CD2-CD1 3.96Å; L129-L159 HydrophobicContact CD1-CB 4.45Å; L129-L159 HydrophobicContact CD2-CD1 3.92Å; R155-L159 WeakPolarHBondContact O-CB 3.38Å; R155-L159 WeakPolarHBondContact O-CG 3.13Å; R155-L159 PolarHBondContact O-N 3.15Å; R156-L159 PolarHBondContact O-N 2.94Å; R156-L159 VanDerWaalsContact O-N 3.14Å; L159-V164 WeakPolarHBondContact O-CG2 3.24Å
160E98.3Very high98.1Very high89 Ų8960.8 Ų60.842%0.41628%0.279SS..Iπ-helixtrans-81.1-26.5177.9-69.1179.5163.600113L108 L129 R156L108-E160 HydrophobicContact CD2-CB 4.41Å; L108-E160 HydrophobicContact CD2-CG 3.7Å; L129-E160 HydrophobicContact CD1-CG 4.26Å; R156-E160 HydrophobicContact CG-CG 4.11Å; R156-E160 IonicContact CZ-OE1 2.92Å; R156-E160 VanDerWaalsContact CZ-OE1 3.3Å; R156-E160 IonicContact CZ-OE2 3.39Å; R156-E160 VanDerWaalsContact NE-CD 3.3Å; R156-E160 IonicContact NE-OE1 3.59Å; R156-E160 PolarHBondContact NE-OE1 3.11Å; R156-E160 IonicContact NE-OE2 2.72Å; R156-E160 PolarHBondContact NE-OE2 2.76Å; R156-E160 IonicContact NH2-OE1 3.89Å; R156-E160 PolarHBondContact NH2-OE1 3.12Å; R156-E160 IonicContact NH2-OE2 3.3Å; R156-E160 PolarHBondContact NH2-OE2 3.01Å; R156-E160 WeakPolarHBondContact O-CB 3.04Å; R156-E160 PolarHBondContact O-N 3.41Å
161G98.1Very high98.1Very high21 Ų2154 Ų5422%0.21626%0.255CS..Iπ-helixtrans-106.2-90.9-179.200000112.5A157 C163 V164 E165A157-G161 PolarHBondContact O-N 2.95Å; A157-G161 VanDerWaalsContact O-N 3.09Å; G161-C163 VanDerWaalsContact C-N 3.31Å; G161-C163 PolarHBondContact O-N 2.77Å; G161-V164 PolarHBondContact O-N 2.88Å; G161-V164 VanDerWaalsContact O-N 3.09Å; G161-E165 WeakPolarHBondContact O-CG 3.4Å; G161-E165 PolarHBondContact O-N 3.05Å
162T98.1Very high98.1Very high50 Ų5057.9 Ų57.931%0.30727%0.273SS..Iπ-helixtrans-52.7-43.7-170.6-54.70000113.3Y158 V164 E165 W166Y158-T162 HydrophobicContact CD2-CG2 3.92Å; Y158-T162 HydrophobicContact CE2-CG2 3.7Å; Y158-T162 PolarHBondContact O-N 3.36Å; Y158-T162 VanDerWaalsContact O-N 3.14Å; T162-V164 PolarHBondContact O-N 2.95Å; T162-E165 PolarHBondContact O-N 3.06Å; T162-W166 VanDerWaalsContact CG2-CD1 3.47Å; T162-W166 WeakPolarHBondContact O-CB 3.37Å; T162-W166 PolarHBondContact O-N 2.72Å
163C98.5Very high98Very high0 Ų059.9 Ų59.90%028%0.282CS..Hα-helixtrans-61.1-48.2-179.5-170.10000111.5M4 C100 Y158 G161 L167M4-C163 HydrophobicContact CE-CB 4.14Å; M4-C163 WeakPolarHBondContact CE-O 3.31Å; M4-C163 WeakPolarHBondContact CE-SG 3.33Å; C100-C163 HydrophobicContact CB-CB 3.91Å; C100-C163 WeakPolarHBondContact CB-SG 3.47Å; C100-C163 PolarHBondContact N-SG 3.1Å; C100-C163 WeakPolarHBondContact SG-CB 3.37Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.4Å; Y158-C163 HydrophobicContact CD1-CB 4.32Å; Y158-C163 HydrophobicContact CE1-CB 3.87Å; Y158-C163 WeakPolarHBondContact O-CB 3.41Å; Y158-C163 PolarHBondContact O-N 3.5Å; G161-C163 VanDerWaalsContact C-N 3.31Å; G161-C163 PolarHBondContact O-N 2.77Å; C163-L167 VanDerWaalsContact O-CB 3.32Å; C163-L167 WeakPolarHBondContact O-CB 3.28Å; C163-L167 PolarHBondContact O-N 3.26Å
164V98.4Very high97.9Very high9 Ų954.6 Ų54.66%0.05526%0.258CS..Hα-helixtrans-63-45.7179.2175.80000111L102 L108 L159 G161 T162 L167 R168L102-V164 HydrophobicContact CD1-CG1 4.47Å; L102-V164 HydrophobicContact CD2-CB 4.2Å; L102-V164 HydrophobicContact CD2-CG1 3.83Å; L102-V164 HydrophobicContact CD2-CG2 3.84Å; L108-V164 HydrophobicContact CB-CG2 4.03Å; L108-V164 HydrophobicContact CD1-CG2 4.02Å; L159-V164 WeakPolarHBondContact O-CG2 3.24Å; G161-V164 PolarHBondContact O-N 2.88Å; G161-V164 VanDerWaalsContact O-N 3.09Å; T162-V164 PolarHBondContact O-N 2.95Å; V164-L167 PolarHBondContact O-N 3.42Å; V164-R168 WeakPolarHBondContact O-CG 3.17Å; V164-R168 PolarHBondContact O-N 3.24Å
165E98.2Very high97.8Very high125 Ų12554.2 Ų54.258%0.58426%0.255SS*.Hα-helixtrans-60.7-47.6179.8-71.7173.5174.600112.1G161 T162 R168 R169G161-E165 WeakPolarHBondContact O-CG 3.4Å; G161-E165 PolarHBondContact O-N 3.05Å; T162-E165 PolarHBondContact O-N 3.06Å; E165-R168 PolarHBondContact O-N 2.9Å; E165-R169 PolarHBondContact O-N 3.21Å
166W98.3Very high97.5Very high45 Ų4560.2 Ų60.217%0.1728%0.283CS..Hα-helixtrans-69.6-40.3-179.9-8295000112.3M4 Y58 T162 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.14Å; Y58-W166 AromaticContact CD2-CH2 3.5Å; Y58-W166 HydrophobicContact CD2-CH2 3.5Å; Y58-W166 VanDerWaalsContact CD2-CH2 3.5Å; Y58-W166 HydrophobicContact CD2-CZ2 4.19Å; Y58-W166 AromaticContact CD2-CZ3 3.78Å; Y58-W166 HydrophobicContact CD2-CZ3 3.78Å; Y58-W166 HydrophobicContact CE2-CE3 4.2Å; Y58-W166 AromaticContact CE2-CH2 3.83Å; Y58-W166 HydrophobicContact CE2-CH2 3.83Å; Y58-W166 HydrophobicContact CE2-CZ2 4.45Å; Y58-W166 AromaticContact CE2-CZ3 3.68Å; Y58-W166 HydrophobicContact CE2-CZ3 3.68Å; T162-W166 VanDerWaalsContact CG2-CD1 3.47Å; T162-W166 WeakPolarHBondContact O-CB 3.37Å; T162-W166 PolarHBondContact O-N 2.72Å; W166-R168 VanDerWaalsContact C-N 3.34Å; W166-R168 PolarHBondContact O-N 2.87Å; W166-R169 WeakPolarHBondContact O-CB 3.46Å; W166-R169 PolarHBondContact O-N 3.19Å; W166-Y170 HydrophobicContact CB-CE2 4.07Å; W166-Y170 HydrophobicContact CE3-CD1 4.41Å; W166-Y170 AromaticContact CE3-CE1 3.52Å; W166-Y170 HydrophobicContact CE3-CE1 3.52Å; W166-Y170 HydrophobicContact CE3-CE2 4.25Å; W166-Y170 AromaticContact CE3-CZ 3.41Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.41Å; W166-Y170 AromaticContact CZ3-CE1 3.89Å; W166-Y170 HydrophobicContact CZ3-CE1 3.89Å; W166-Y170 VanDerWaalsContact O-CD2 3.24Å; W166-Y170 WeakPolarHBondContact O-CD2 3.28Å; W166-Y170 VanDerWaalsContact O-CG 3.23Å; W166-Y170 PolarHBondContact O-N 3.44Å
167L98.5Very high97.2Very high0 Ų059.1 Ų59.10%028%0.284CS..Hα-helixtrans-60.5-44.2175.4174.751.2000111.2H2 M4 V27 L102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.42Å; M4-L167 HydrophobicContact CB-CB 4.04Å; M4-L167 HydrophobicContact CB-CD1 4.03Å; M4-L167 HydrophobicContact CB-CD2 3.94Å; M4-L167 HydrophobicContact CB-CG 4.22Å; M4-L167 HydrophobicContact CE-CB 4.29Å; M4-L167 HydrophobicContact SD-CB 4.44Å; V27-L167 HydrophobicContact CG1-CD1 3.59Å; V27-L167 HydrophobicContact CG2-CD1 4.21Å; L102-L167 HydrophobicContact CB-CD2 4.49Å; L102-L167 HydrophobicContact CD1-CB 4.22Å; L102-L167 HydrophobicContact CD1-CD2 3.62Å; L102-L167 HydrophobicContact CD1-CG 3.73Å; L102-L167 HydrophobicContact CG-CD2 3.57Å; L102-L167 HydrophobicContact CG-CG 4.26Å; C163-L167 VanDerWaalsContact O-CB 3.32Å; C163-L167 WeakPolarHBondContact O-CB 3.28Å; C163-L167 PolarHBondContact O-N 3.26Å; V164-L167 PolarHBondContact O-N 3.42Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 2.89Å; L167-Y170 PolarHBondContact O-N 3.49Å; L167-L171 HydrophobicContact CD1-CD1 3.88Å; L167-L171 HydrophobicContact CD1-CD2 4.38Å; L167-L171 HydrophobicContact CD1-CG 3.85Å; L167-L171 HydrophobicContact CG-CD1 4.05Å; L167-L171 HydrophobicContact CG-CG 4.48Å; L167-L171 WeakPolarHBondContact O-CB 3.31Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.21Å; L167-L171 PolarHBondContact O-N 2.96Å
168R97.8Very high96.9Very high122 Ų12256.3 Ų56.346%0.4626%0.26SS..Hα-helixtrans-59.7-43.6174.3-72.5175-177.7173.3-0.1112.4L102 G106 V164 E165 W166 L171 E172L102-R168 HydrophobicContact CD1-CG 3.99Å; G106-R168 VanDerWaalsContact O-CZ 3.28Å; G106-R168 PolarHBondContact O-NE 2.88Å; G106-R168 PolarHBondContact O-NH2 2.8Å; V164-R168 WeakPolarHBondContact O-CG 3.17Å; V164-R168 PolarHBondContact O-N 3.24Å; E165-R168 PolarHBondContact O-N 2.9Å; W166-R168 VanDerWaalsContact C-N 3.34Å; W166-R168 PolarHBondContact O-N 2.87Å; R168-L171 PolarHBondContact O-N 3.47Å; R168-E172 PolarHBondContact O-N 3.17Å
169R97.6Very high96.6Very high119 Ų11958.2 Ų58.245%0.44927%0.271SS..Hα-helixtrans-60.2-45.7176.1179.3179.6174.3103.1-6.6111.4E54 E165 W166 L167 E172 N173E54-R169 IonicContact OE1-CZ 3.11Å; E54-R169 IonicContact OE1-NE 3.23Å; E54-R169 PolarHBondContact OE1-NE 2.85Å; E54-R169 IonicContact OE1-NH2 2.76Å; E54-R169 PolarHBondContact OE1-NH2 3.02Å; E54-R169 IonicContact OE2-CZ 3.86Å; E54-R169 IonicContact OE2-NE 3.78Å; E54-R169 PolarHBondContact OE2-NE 3.38Å; E54-R169 IonicContact OE2-NH2 2.67Å; E54-R169 PolarHBondContact OE2-NH2 2.9Å; E165-R169 PolarHBondContact O-N 3.21Å; W166-R169 WeakPolarHBondContact O-CB 3.46Å; W166-R169 PolarHBondContact O-N 3.19Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 2.89Å; R169-E172 PolarHBondContact O-N 3.11Å; R169-N173 WeakPolarHBondContact O-CB 3.48Å; R169-N173 PolarHBondContact O-N 2.79Å; R169-N173 PolarHBondContact O-ND2 3.15Å; R169-N173 PolarHBondContact O-OD1 3.43Å
170Y98Very high96.2Very high1 Ų162.7 Ų62.70%0.00429%0.288CS..Hα-helixtrans-66.2-39.1178.6-61.6-32.5000112.6M4 V27 F32 W50 V51 Y58 W166 L167 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.77Å; M4-Y170 HydrophobicContact SD-CE2 3.58Å; M4-Y170 VanDerWaalsContact SD-CE2 3.58Å; V27-Y170 HydrophobicContact CG2-CD2 3.96Å; V27-Y170 HydrophobicContact CG2-CG 4.47Å; F32-Y170 AromaticContact CE2-CE2 3.88Å; F32-Y170 HydrophobicContact CE2-CE2 3.88Å; F32-Y170 AromaticContact CE2-CZ 4Å; F32-Y170 HydrophobicContact CZ-CD2 4.5Å; F32-Y170 AromaticContact CZ-CE2 3.87Å; F32-Y170 HydrophobicContact CZ-CE2 3.87Å; W50-Y170 HydrophobicContact CE3-CD1 4.11Å; W50-Y170 HydrophobicContact CE3-CG 4.37Å; W50-Y170 HydrophobicContact CH2-CD1 4.42Å; W50-Y170 HydrophobicContact CH2-CD2 4.41Å; W50-Y170 HydrophobicContact CH2-CG 4.04Å; W50-Y170 AromaticContact CZ3-CD1 3.48Å; W50-Y170 HydrophobicContact CZ3-CD1 3.48Å; W50-Y170 VanDerWaalsContact CZ3-CD1 3.48Å; W50-Y170 HydrophobicContact CZ3-CD2 4.2Å; W50-Y170 HydrophobicContact CZ3-CE1 4.15Å; W50-Y170 AromaticContact CZ3-CG 3.5Å; W50-Y170 HydrophobicContact CZ3-CG 3.5Å; V51-Y170 HydrophobicContact CG2-CE1 4.35Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.38Å; Y58-Y170 PolarHBondContact OH-OH 2.95Å; W166-Y170 HydrophobicContact CB-CE2 4.07Å; W166-Y170 HydrophobicContact CE3-CD1 4.41Å; W166-Y170 AromaticContact CE3-CE1 3.52Å; W166-Y170 HydrophobicContact CE3-CE1 3.52Å; W166-Y170 HydrophobicContact CE3-CE2 4.25Å; W166-Y170 AromaticContact CE3-CZ 3.41Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.41Å; W166-Y170 AromaticContact CZ3-CE1 3.89Å; W166-Y170 HydrophobicContact CZ3-CE1 3.89Å; W166-Y170 VanDerWaalsContact O-CD2 3.24Å; W166-Y170 WeakPolarHBondContact O-CD2 3.28Å; W166-Y170 VanDerWaalsContact O-CG 3.23Å; W166-Y170 PolarHBondContact O-N 3.44Å; L167-Y170 PolarHBondContact O-N 3.49Å; Y170-E172 VanDerWaalsContact C-N 3.29Å; Y170-E172 PolarHBondContact O-N 3.34Å; Y170-N173 PolarHBondContact O-N 3.07Å; Y170-G174 WeakPolarHBondContact O-CA 3.44Å; Y170-G174 PolarHBondContact O-N 2.98Å; Y170-L178 WeakPolarHBondContact O-CD1 3.41Å
171L97.3Very high96Very high16 Ų1660.5 Ų60.58%0.08429%0.285CS..Hα-helixtrans-62.8-35.2175-71.5169.9000112.5H2 V27 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.74Å; H2-L171 HydrophobicContact CB-CD2 3.96Å; H2-L171 HydrophobicContact CB-CG 4.42Å; H2-L171 VanDerWaalsContact CG-CD2 3.46Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.33Å; V27-L171 HydrophobicContact CG1-CD2 4.11Å; L167-L171 HydrophobicContact CD1-CD1 3.88Å; L167-L171 HydrophobicContact CD1-CD2 4.38Å; L167-L171 HydrophobicContact CD1-CG 3.85Å; L167-L171 HydrophobicContact CG-CD1 4.05Å; L167-L171 HydrophobicContact CG-CG 4.48Å; L167-L171 WeakPolarHBondContact O-CB 3.31Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.21Å; L167-L171 PolarHBondContact O-N 2.96Å; R168-L171 PolarHBondContact O-N 3.47Å; L171-K175 WeakPolarHBondContact O-CA 3.48Å; L171-K175 WeakPolarHBondContact O-CB 3.41Å; L171-K175 PolarHBondContact O-N 2.61Å; L171-K175 VanDerWaalsContact O-N 3.11Å; L171-L178 HydrophobicContact CD2-CB 4.1Å; L171-L178 HydrophobicContact CD2-CD1 4.38Å; L171-Q179 PolarHBondContact O-NE2 2.82Å
172E96.8Very high95.9Very high122 Ų12262.3 Ų62.357%0.5729%0.287SS*.Hα-helixtrans-72.9-48.9174.6-172.157.7-150.400111.2R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 3.17Å; R169-E172 PolarHBondContact O-N 3.11Å; Y170-E172 VanDerWaalsContact C-N 3.29Å; Y170-E172 PolarHBondContact O-N 3.34Å; E172-G174 VanDerWaalsContact C-N 3.32Å; E172-G174 PolarHBondContact O-N 3.02Å; E172-K175 WeakPolarHBondContact O-CB 3.32Å; E172-K175 PolarHBondContact O-N 3.01Å
173N97.1Very high95.8Very high51 Ų5165.2 Ų65.227%0.27330%0.297SS..Hα-helixtrans-59.2-43178.9-67.6-8.3000112.3W50 Q53 E54 R169 Y170W50-N173 HydrophobicContact CB-CB 4.36Å; Q53-N173 VanDerWaalsContact NE2-CB 3.3Å; Q53-N173 PolarHBondContact NE2-ND2 3.32Å; Q53-N173 PolarHBondContact NE2-OD1 3.22Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.11Å; E54-N173 PolarHBondContact OE1-ND2 3.22Å; R169-N173 WeakPolarHBondContact O-CB 3.48Å; R169-N173 PolarHBondContact O-N 2.79Å; R169-N173 PolarHBondContact O-ND2 3.15Å; R169-N173 PolarHBondContact O-OD1 3.43Å; Y170-N173 PolarHBondContact O-N 3.07Å
174G96.3Very high95.8Very high2 Ų265.4 Ų65.42%0.02130%0.298CS..THydrogen-bonded Turntrans-98.718.3-177.300000113.8Y170 E172 K176 T177 L178Y170-G174 WeakPolarHBondContact O-CA 3.44Å; Y170-G174 PolarHBondContact O-N 2.98Å; E172-G174 VanDerWaalsContact C-N 3.32Å; E172-G174 PolarHBondContact O-N 3.02Å; G174-K176 PolarHBondContact O-N 2.9Å; G174-K176 VanDerWaalsContact O-N 3.07Å; G174-T177 PolarHBondContact O-N 3.09Å; G174-T177 PolarHBondContact O-OG1 3.2Å; G174-L178 WeakPolarHBondContact O-CB 3.44Å; G174-L178 PolarHBondContact O-N 3.2Å
175K94.8Very high95.8Very high109 Ų10972 Ų7247%0.47433%0.326SS..Hα-helixtrans-50.2-40.7-171.6-178.8169.4-173.5172.90114.2L171 E172 T177 Q179L171-K175 WeakPolarHBondContact O-CA 3.48Å; L171-K175 WeakPolarHBondContact O-CB 3.41Å; L171-K175 PolarHBondContact O-N 2.61Å; L171-K175 VanDerWaalsContact O-N 3.11Å; E172-K175 WeakPolarHBondContact O-CB 3.32Å; E172-K175 PolarHBondContact O-N 3.01Å; K175-T177 PolarHBondContact O-N 3.14Å; K175-Q179 HydrophobicContact CG-CB 4.46Å; K175-Q179 HydrophobicContact CG-CG 4.43Å; K175-Q179 WeakPolarHBondContact O-CB 3.24Å; K175-Q179 PolarHBondContact O-N 3.35Å
176K91.7Very high95.8Very high194 Ų19467.6 Ų67.684%0.84331%0.308SS*.Hα-helixtrans-64.3-26.6179.6-67.5-176.6179.9178.20113.8G174 R180G174-K176 PolarHBondContact O-N 2.9Å; G174-K176 VanDerWaalsContact O-N 3.07Å; K176-R180 WeakPolarHBondContact O-CD 3.34Å
177T91.4Very high95.8Very high49 Ų4969.3 Ų69.330%0.30132%0.318SS..Hα-helixtrans-109.4-34.8-175.647.30000113.4G174 K175 R180G174-T177 PolarHBondContact O-N 3.09Å; G174-T177 PolarHBondContact O-OG1 3.2Å; K175-T177 PolarHBondContact O-N 3.14Å; T177-R180 WeakPolarHBondContact O-CG 3.46Å; T177-R180 PolarHBondContact O-NE 3.34Å
178L93.3Very high95.8Very high4 Ų470.4 Ų70.42%0.02133%0.325CS..Hα-helixtrans-91.1-25.8-174.6-62.8173.2000113H2 V27 T30 W50 Y170 L171 G174H2-L178 PolarHBondContact CE1-O 3.38Å; V27-L178 HydrophobicContact CB-CD1 4.3Å; V27-L178 HydrophobicContact CB-CD2 4.17Å; V27-L178 HydrophobicContact CG1-CD1 3.92Å; V27-L178 HydrophobicContact CG1-CD2 4.09Å; T30-L178 HydrophobicContact CG2-CD2 4.05Å; W50-L178 HydrophobicContact CD2-CD1 4.4Å; W50-L178 HydrophobicContact CH2-CD1 4.46Å; W50-L178 HydrophobicContact CZ2-CD1 3.87Å; W50-L178 HydrophobicContact CZ2-CD2 4.23Å; W50-L178 HydrophobicContact CZ2-CG 4.5Å; Y170-L178 WeakPolarHBondContact O-CD1 3.41Å; L171-L178 HydrophobicContact CD2-CB 4.1Å; L171-L178 HydrophobicContact CD2-CD1 4.38Å; G174-L178 WeakPolarHBondContact O-CB 3.44Å; G174-L178 PolarHBondContact O-N 3.2Å
179Q91.1Very high95.9Very high92 Ų9266.1 Ų66.143%0.4331%0.312SS..SBendtrans-105.221.5178.5-56.3-179.228.700111.9L171 K175L171-Q179 PolarHBondContact O-NE2 2.82Å; K175-Q179 HydrophobicContact CG-CB 4.46Å; K175-Q179 HydrophobicContact CG-CG 4.43Å; K175-Q179 WeakPolarHBondContact O-CB 3.24Å; K175-Q179 PolarHBondContact O-N 3.35Å
180R91.4Very high95.9Very high97 Ų9762.8 Ų62.837%0.36630%0.302SS..  trans-102.7145.8170.777.5-175.2170171.89108.8K176 T177 E182 Y208K176-R180 WeakPolarHBondContact O-CD 3.34Å; T177-R180 WeakPolarHBondContact O-CG 3.46Å; T177-R180 PolarHBondContact O-NE 3.34Å; R180-E182 IonicContact CZ-OE1 2.62Å; R180-E182 IonicContact NE-OE1 3.74Å; R180-E182 PolarHBondContact NE-OE1 2.91Å; R180-E182 IonicContact NH1-OE1 3.67Å; R180-E182 PolarHBondContact NH1-OE1 2.87Å; R180-E182 VanDerWaalsContact NH1-OE1 3.07Å; R180-E182 IonicContact NH2-OE1 3.6Å; R180-E182 PolarHBondContact NH2-OE1 2.85Å; R180-Y208 WeakPolarHBondContact O-CD1 3.46Å
181A94.4Very high95.8Very high42 Ų4266.5 Ų66.535%0.34732%0.319SS..  trans-113.7125.5162.900000108.1Y208 E263 G264A181-Y208 CarbonylContact C-O 3.54Å; A181-Y208 VanDerWaalsContact CA-O 3.28Å; A181-Y208 WeakPolarHBondContact CA-O 3.39Å; A181-E263 HydrophobicContact CB-CG 4.13Å; A181-G264 VanDerWaalsContact CB-CA 3.48Å
182E95.6Very high95.7Very high59 Ų5970.5 Ų70.528%0.27635%0.346SS..BIsolated β-bridgetrans-95119.8172.9-65.1-170.1-166.800108R180 F207 Y208 T239 H262R180-E182 IonicContact CZ-OE1 2.62Å; R180-E182 IonicContact NE-OE1 3.74Å; R180-E182 PolarHBondContact NE-OE1 2.91Å; R180-E182 IonicContact NH1-OE1 3.67Å; R180-E182 PolarHBondContact NH1-OE1 2.87Å; R180-E182 VanDerWaalsContact NH1-OE1 3.07Å; R180-E182 IonicContact NH2-OE1 3.6Å; R180-E182 PolarHBondContact NH2-OE1 2.85Å; E182-F207 WeakPolarHBondContact O-CA 3.11Å; E182-F207 WeakPolarHBondContact O-CB 3.23Å; E182-Y208 PolarHBondContact N-O 3.03Å; E182-Y208 PolarHBondContact O-N 2.98Å; E182-Y208 VanDerWaalsContact O-N 3.08Å; E182-T239 WeakPolarHBondContact OE2-CG2 3.48Å; E182-H262 PolarHBondContact O-CE1 3.45Å
183H96.3Very high95.5Very high111 Ų11169.1 Ų69.151%0.51435%0.346SS..PPolyproline II helixtrans-71.5147.7-178.257.3-105.4000111.4K185 L265H183-K185 PolarHBondContact O-N 3.46Å; H183-L265 HydrophobicContact CB-CD2 3.93Å; H183-L265 HydrophobicContact CB-CG 4.46Å
184P98.1Very high95.4Very high4 Ų469.2 Ų69.23%0.02635%0.35CS..PPolyproline II helixtrans-67.3131.7176.928.1-35000111.1T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 3.93Å; P184-T186 HydrophobicContact CG-CG2 4.15Å; P184-T186 PolarHBondContact O-N 3.13Å; P184-A204 HydrophobicContact CB-CB 3.84Å; P184-F207 HydrophobicContact CB-CB 3.9Å; P184-F207 HydrophobicContact CB-CD1 3.98Å; P184-F207 HydrophobicContact CB-CG 4.21Å; P184-I212 HydrophobicContact CB-CD1 3.95Å; P184-I212 HydrophobicContact CG-CD1 4.06Å; P184-V260 HydrophobicContact CG-CG1 3.9Å; P184-H262 HydrophobicContact CG-CB 4.04Å; P184-L265 HydrophobicContact CG-CD1 3.91Å; P184-L265 HydrophobicContact CG-CG 4.28Å
185K98.4Very high95.1Very high147 Ų14776.3 Ų76.364%0.63939%0.387SS*.EExtended strand (participates in β ladder)trans-78.3113.1162.8-65.1172.3-173.4167.40107.7H183 L205H183-K185 PolarHBondContact O-N 3.46Å; K185-L205 PolarHBondContact N-O 3.45Å; K185-L205 PolarHBondContact O-N 3.18Å
186T98.5Very high95.1Very high34 Ų3478 Ų7821%0.20940%0.397CS..EExtended strand (participates in β ladder)trans-112.6143.8-171.754.20000112.2P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 3.93Å; P184-T186 HydrophobicContact CG-CG2 4.15Å; P184-T186 PolarHBondContact O-N 3.13Å; T186-W203 WeakPolarHBondContact CA-O 3.47Å; T186-A204 HydrophobicContact CG2-CB 4.33Å; T186-V260 HydrophobicContact CG2-CB 4.35Å; T186-V260 HydrophobicContact CG2-CG1 4.08Å; T186-V260 HydrophobicContact CG2-CG2 4Å; T186-L269 HydrophobicContact CG2-CD1 4.32Å; T186-L271 HydrophobicContact CG2-CD1 4.25Å
187H98.4Very high95.3Very high80 Ų8073.2 Ų73.237%0.3738%0.377SS..EExtended strand (participates in β ladder)trans-159.9158.6172.163-75.4000110.1W203H187-W203 VanDerWaalsContact CE1-CB 3.43Å; H187-W203 WeakPolarHBondContact CE1-CB 3.44Å; H187-W203 AromaticContact CE1-CD1 3.95Å; H187-W203 AromaticContact CE1-CG 3.72Å; H187-W203 PolarHBondContact N-O 2.94Å; H187-W203 AromaticContact NE2-CD1 3.53Å; H187-W203 AromaticContact NE2-CG 3.76Å; H187-W203 PolarHBondContact O-N 3.15Å
188V98.6Very high95.5Very high23 Ų2370.9 Ų70.914%0.13936%0.363CS..EExtended strand (participates in β ladder)trans-109133.2174.8-178.80000108.9L200 R201 C202 W216 L271 W273V188-L200 HydrophobicContact CG1-CB 4.4Å; V188-L200 HydrophobicContact CG1-CD2 4.4Å; V188-R201 CarbonylContact C-O 3.59Å; V188-R201 WeakPolarHBondContact CA-O 3.44Å; V188-C202 HydrophobicContact CG2-CB 4.49Å; V188-W216 HydrophobicContact CG1-CH2 3.87Å; V188-W216 HydrophobicContact CG1-CZ2 4.27Å; V188-W216 HydrophobicContact CG2-CH2 4.22Å; V188-L271 HydrophobicContact CG2-CB 3.88Å; V188-W273 HydrophobicContact CG1-CB 3.9Å
189T98.3Very high95.8Very high32 Ų3271.7 Ų71.720%0.19637%0.368CS..EExtended strand (participates in β ladder)trans-110.4145173.750.50000109.6H191 L200 R201 W203T189-H191 PolarHBondContact OG1-NE2 3.22Å; T189-L200 WeakPolarHBondContact O-CA 3.22Å; T189-R201 PolarHBondContact N-O 2.04Å; T189-R201 PolarHBondContact O-N 3.47Å; T189-R201 WeakPolarHBondContact OG1-CB 3.5Å; T189-R201 PolarHBondContact OG1-O 3.31Å; T189-R201 VanDerWaalsContact OG1-O 3.12Å; T189-W203 PolarHBondContact OG1-NE1 2.99Å
190H97.8Very high96.1Very high50 Ų5067.3 Ų67.323%0.23135%0.348CS..EExtended strand (participates in β ladder)trans-119127-179.9169.9-92.2000109.6A198 T199 L200 E253 W273H190-A198 WeakPolarHBondContact NE2-CB 3.05Å; H190-T199 WeakPolarHBondContact CA-O 3.49Å; H190-L200 HydrophobicContact CB-CD2 4.05Å; H190-E253 IonicContact NE2-OE1 3.93Å; H190-W273 HydrophobicContact CB-CD2 3.87Å; H190-W273 VanDerWaalsContact CB-CE2 3.46Å; H190-W273 HydrophobicContact CB-CG 3.97Å; H190-W273 HydrophobicContact CB-CZ2 3.99Å; H190-W273 VanDerWaalsContact CB-NE1 3.32Å; H190-W273 AromaticContact CG-CE2 3.73Å; H190-W273 AromaticContact CG-CZ2 3.81Å; H190-W273 AromaticContact ND1-CZ2 3.88Å
191H96.3Very high96.5Very high78 Ų7865.2 Ų65.236%0.36134%0.34SS..EExtended strand (participates in β ladder)trans-128.9105.4-178.7-58.4-70.7000109.7T189 V193 A198 T199 R201T189-H191 PolarHBondContact OG1-NE2 3.22Å; H191-V193 PolarHBondContact O-N 2.95Å; H191-A198 CarbonylContact O-C 3.54Å; H191-A198 WeakPolarHBondContact O-CA 3.23Å; H191-T199 PolarHBondContact N-O 3.18Å; H191-T199 PolarHBondContact O-N 3.08Å; H191-R201 PolarHBondContact CD2-NH1 2.86Å; H191-R201 VanDerWaalsContact CD2-NH1 3.29Å; H191-R201 PolarHBondContact NE2-NH1 3.01Å
192P95.3Very high96.7Very high100 Ų10063.2 Ų63.265%0.64932%0.323SS*.EExtended strand (participates in β ladder)trans-57.5130.6172.4-21.431.6000110.7
193V93.1Very high96.8Very high94 Ų9462.6 Ų62.657%0.5732%0.318SS*.  trans-105.7-40.8176.6-1790000110.1H191 E197 T199H191-V193 PolarHBondContact O-N 2.95Å; V193-E197 PolarHBondContact N-O 2.86Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.4Å
194S93.6Very high97Very high52 Ų5257.3 Ų57.336%0.36429%0.294SS..SBendtrans-147.6-178.917572.50000110.6H196 E197S194-H196 PolarHBondContact O-N 2.76Å; S194-H196 VanDerWaalsContact O-N 3.15Å; S194-H196 PolarHBondContact OG-N 2.67Å; S194-E197 PolarHBondContact N-O 2.9Å; S194-E197 VanDerWaalsContact O-O 3.11Å; S194-E197 PolarHBondContact OG-N 3.06Å
195D91.1Very high97Very high151 Ų15159.8 Ų59.881%0.80731%0.307SS*.SBendtrans-65-11.1172.7-65.4-19.7000113.3
196H94.1Very high97Very high146 Ų14653.7 Ų53.768%0.67629%0.286SS*.SBendtrans-115.8-15.5-175.6-55.4-44.9000113.4S194 P249 S250S194-H196 PolarHBondContact O-N 2.76Å; S194-H196 VanDerWaalsContact O-N 3.15Å; S194-H196 PolarHBondContact OG-N 2.67Å; H196-P249 CarbonylContact O-C 3.58Å; H196-P249 WeakPolarHBondContact O-CA 3.42Å; H196-S250 VanDerWaalsContact C-OG 3.26Å; H196-S250 PolarHBondContact O-N 3.5Å
197E96Very high96.9Very high92 Ų9252.1 Ų52.143%0.4328%0.276SS..EExtended strand (participates in β ladder)trans-143.5144.8-169.9-66.5-179160.800112.5V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 2.86Å; S194-E197 PolarHBondContact N-O 2.9Å; S194-E197 VanDerWaalsContact O-O 3.11Å; S194-E197 PolarHBondContact OG-N 3.06Å; E197-V247 HydrophobicContact CB-CG1 3.99Å; E197-V247 HydrophobicContact CG-CG1 4.22Å; E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.34Å; E197-S250 PolarHBondContact N-OG 2.83Å
198A97.1Very high96.9Very high0 Ų048.6 Ų48.60%026%0.26CS..EExtended strand (participates in β ladder)trans-133.7154.9170.500000110.9H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.05Å; H191-A198 CarbonylContact O-C 3.54Å; H191-A198 WeakPolarHBondContact O-CA 3.23Å; A198-V247 WeakPolarHBondContact O-CA 3.38Å; A198-V248 PolarHBondContact N-O 2.85Å; A198-V248 PolarHBondContact O-N 3.11Å
199T98.3Very high96.9Very high21 Ų2148.3 Ų48.313%0.12926%0.258CS..EExtended strand (participates in β ladder)trans-94.7123169.5-55.30000109.6H190 H191 V193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.49Å; H191-T199 PolarHBondContact N-O 3.18Å; H191-T199 PolarHBondContact O-N 3.08Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.4Å; T199-A245 HydrophobicContact CG2-CB 3.89Å; T199-V246 WeakPolarHBondContact CA-O 2.98Å
200L98.6Very high96.8Very high0 Ų047.7 Ų47.70%026%0.257CS..EExtended strand (participates in β ladder)trans-93.4124.2163.8-62.9-176.4000108.7V188 T189 H190 W216 A245 V246 V248 E253 Y256 W273V188-L200 HydrophobicContact CG1-CB 4.4Å; V188-L200 HydrophobicContact CG1-CD2 4.4Å; T189-L200 WeakPolarHBondContact O-CA 3.22Å; H190-L200 HydrophobicContact CB-CD2 4.05Å; L200-W216 HydrophobicContact CB-CH2 3.7Å; L200-W216 HydrophobicContact CB-CZ2 3.76Å; L200-W216 HydrophobicContact CB-CZ3 4.47Å; L200-W216 HydrophobicContact CD1-CH2 4.04Å; L200-W216 HydrophobicContact CD1-CZ3 4.19Å; L200-A245 CarbonylContact O-C 3.58Å; L200-A245 WeakPolarHBondContact O-CA 3.37Å; L200-V246 HydrophobicContact CB-CG2 4.21Å; L200-V246 PolarHBondContact N-O 3.44Å; L200-V246 PolarHBondContact O-N 2.84Å; L200-V248 HydrophobicContact CD1-CG1 4.01Å; L200-V248 HydrophobicContact CD1-CG2 4.05Å; L200-V248 HydrophobicContact CG-CG1 4.16Å; L200-V248 HydrophobicContact CG-CG2 3.84Å; L200-E253 HydrophobicContact CD1-CB 4.17Å; L200-E253 HydrophobicContact CD2-CG 4.32Å; L200-Y256 HydrophobicContact CD1-CG 4.48Å; L200-W273 HydrophobicContact CD2-CB 3.9Å; L200-W273 HydrophobicContact CD2-CG 4.15Å
201R98.7Very high96.8Very high53 Ų5352.4 Ų52.420%0.228%0.279CS..EExtended strand (participates in β ladder)trans-121.2117.4176.6-178.7-177.6-61.8113.80110.4V188 T189 H191 W203 W243 A244 A245V188-R201 CarbonylContact C-O 3.59Å; V188-R201 WeakPolarHBondContact CA-O 3.44Å; T189-R201 PolarHBondContact N-O 2.04Å; T189-R201 PolarHBondContact O-N 3.47Å; T189-R201 WeakPolarHBondContact OG1-CB 3.5Å; T189-R201 PolarHBondContact OG1-O 3.31Å; T189-R201 VanDerWaalsContact OG1-O 3.12Å; H191-R201 PolarHBondContact CD2-NH1 2.86Å; H191-R201 VanDerWaalsContact CD2-NH1 3.29Å; H191-R201 PolarHBondContact NE2-NH1 3.01Å; R201-W203 HydrophobicContact CG-CZ2 4.39Å; R201-W243 HydrophobicContact CG-CB 3.97Å; R201-W243 HydrophobicContact CG-CD2 4.15Å; R201-W243 HydrophobicContact CG-CE3 3.95Å; R201-W243 HydrophobicContact CG-CG 4.21Å; R201-A244 WeakPolarHBondContact CA-O 3.21Å; R201-A245 HydrophobicContact CB-CB 4.03Å; R201-A245 HydrophobicContact CG-CB 4.16Å
202C98.7Very high96.9Very high0 Ų049.4 Ų49.40%027%0.265CS..EExtended strand (participates in β ladder)trans-90.2123.3175-173.80000109.7V188 W216 W243 A244 C258V188-C202 HydrophobicContact CG2-CB 4.49Å; C202-W216 HydrophobicContact CB-CZ2 3.65Å; C202-W243 CarbonylContact O-C 3.42Å; C202-W243 WeakPolarHBondContact O-CA 3.4Å; C202-W243 VanDerWaalsContact O-CB 3.25Å; C202-W243 WeakPolarHBondContact O-CB 3.33Å; C202-A244 PolarHBondContact N-O 2.83Å; C202-A244 PolarHBondContact O-N 3.14Å; C202-C258 HydrophobicContact CB-CB 3.49Å; C202-C258 VanDerWaalsContact CB-CB 3.49Å; C202-C258 WeakPolarHBondContact CB-SG 3.48Å; C202-C258 WeakPolarHBondContact SG-CB 3.47Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 2.81Å
203W98.7Very high97.1Very high46 Ų4647.4 Ų47.417%0.17425%0.251CS..EExtended strand (participates in β ladder)trans-105.1142.5-179.8-70.691.1000110.8T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.47Å; H187-W203 VanDerWaalsContact CE1-CB 3.43Å; H187-W203 WeakPolarHBondContact CE1-CB 3.44Å; H187-W203 AromaticContact CE1-CD1 3.95Å; H187-W203 AromaticContact CE1-CG 3.72Å; H187-W203 PolarHBondContact N-O 2.94Å; H187-W203 AromaticContact NE2-CD1 3.53Å; H187-W203 AromaticContact NE2-CG 3.76Å; H187-W203 PolarHBondContact O-N 3.15Å; T189-W203 PolarHBondContact OG1-NE1 2.99Å; R201-W203 HydrophobicContact CG-CZ2 4.39Å; W203-L205 HydrophobicContact CE3-CD2 3.9Å; W203-L205 HydrophobicContact CZ3-CD2 4.44Å; W203-W243 HydrophobicContact CD2-CB 3.94Å; W203-W243 HydrophobicContact CD2-CG 4.49Å; W203-W243 HydrophobicContact CE3-CB 3.84Å; W203-W243 AromaticContact CE3-CD1 3.91Å; W203-W243 HydrophobicContact CE3-CG 4.2Å; W203-W243 HydrophobicContact CG-CB 4.41Å; W203-W243 AromaticContact CH2-CD1 3.57Å; W203-W243 HydrophobicContact CH2-CG 4.2Å; W203-W243 HydrophobicContact CZ2-CG 4.48Å; W203-W243 HydrophobicContact CZ3-CB 4.21Å; W203-W243 AromaticContact CZ3-CD1 3.38Å; W203-W243 HydrophobicContact CZ3-CG 4.06Å
204A98.8Very high97.3Very high0 Ų043.2 Ų43.20%023%0.226CC..EExtended strand (participates in β ladder)trans-125.6123.3162.200000107.9P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.84Å; T186-A204 HydrophobicContact CG2-CB 4.33Å; A204-F207 HydrophobicContact CB-CD1 4.06Å; A204-F207 HydrophobicContact CB-CE1 3.83Å; A204-F207 WeakPolarHBondContact O-CE1 3.37Å; A204-I212 HydrophobicContact CB-CD1 3.63Å; A204-L214 HydrophobicContact CB-CD1 3.97Å; A204-L214 HydrophobicContact CB-CD2 4.11Å; A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 3.36Å; A204-K242 PolarHBondContact N-O 3.31Å; A204-K242 PolarHBondContact O-N 3.28Å; A204-K242 VanDerWaalsContact O-O 3.11Å
205L98.6Very high97.6Very high56 Ų5642.8 Ų42.829%0.29322%0.221SC..EExtended strand (participates in β ladder)trans-130.6148.3-175.4-58.4177000111.1K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 3.45Å; K185-L205 PolarHBondContact O-N 3.18Å; W203-L205 HydrophobicContact CE3-CD2 3.9Å; W203-L205 HydrophobicContact CZ3-CD2 4.44Å; L205-F207 VanDerWaalsContact C-N 3.35Å; L205-F207 PolarHBondContact O-N 3.5Å; L205-Q241 HydrophobicContact CD2-CB 3.56Å
206G97.9Very high97.9Very high20 Ų2035.7 Ų35.721%0.20618%0.183CC..EExtended strand (participates in β ladder)trans6931.7168.400000113.7F240G206-F240 PolarHBondContact N-O 2.87Å
207F98.3Very high98.1Very high0 Ų030.7 Ų30.70%016%0.159CC..EExtended strand (participates in β ladder)trans-101.7153.8179.159.8-88.7000112.2E182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262E182-F207 WeakPolarHBondContact O-CA 3.11Å; E182-F207 WeakPolarHBondContact O-CB 3.23Å; P184-F207 HydrophobicContact CB-CB 3.9Å; P184-F207 HydrophobicContact CB-CD1 3.98Å; P184-F207 HydrophobicContact CB-CG 4.21Å; A204-F207 HydrophobicContact CB-CD1 4.06Å; A204-F207 HydrophobicContact CB-CE1 3.83Å; A204-F207 WeakPolarHBondContact O-CE1 3.37Å; L205-F207 VanDerWaalsContact C-N 3.35Å; L205-F207 PolarHBondContact O-N 3.5Å; F207-P209 VanDerWaalsContact CD2-O 3.32Å; F207-P209 WeakPolarHBondContact CD2-O 3.48Å; F207-I212 HydrophobicContact CD1-CD1 3.86Å; F207-I212 HydrophobicContact CD2-CB 4.24Å; F207-I212 HydrophobicContact CD2-CD1 3.96Å; F207-I212 HydrophobicContact CD2-CG2 4.49Å; F207-I212 HydrophobicContact CE1-CD1 3.8Å; F207-I212 HydrophobicContact CE1-CG2 4.46Å; F207-I212 HydrophobicContact CE2-CB 3.76Å; F207-I212 HydrophobicContact CE2-CD1 3.94Å; F207-I212 HydrophobicContact CE2-CG1 4.44Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 3.95Å; F207-I212 HydrophobicContact CZ-CB 4.17Å; F207-I212 HydrophobicContact CZ-CD1 3.87Å; F207-I212 HydrophobicContact CZ-CG2 3.57Å; F207-T232 HydrophobicContact CE2-CG2 4.04Å; F207-T232 HydrophobicContact CZ-CG2 3.88Å; F207-T239 CarbonylContact O-C 3.6Å; F207-T239 WeakPolarHBondContact O-CA 3.41Å; F207-F240 VanDerWaalsContact CD1-O 3.29Å; F207-F240 WeakPolarHBondContact CD1-O 3.37Å; F207-F240 HydrophobicContact CD2-CB 3.9Å; F207-F240 HydrophobicContact CE1-CB 4.22Å; F207-F240 WeakPolarHBondContact CE1-O 3.49Å; F207-F240 HydrophobicContact CE2-CB 3.45Å; F207-F240 VanDerWaalsContact CE2-CB 3.45Å; F207-F240 HydrophobicContact CE2-CG 4.43Å; F207-F240 HydrophobicContact CG-CB 4.43Å; F207-F240 HydrophobicContact CZ-CB 3.62Å; F207-F240 PolarHBondContact N-O 3.49Å; F207-F240 PolarHBondContact O-N 3.11Å; F207-K242 HydrophobicContact CE1-CB 4.35Å; F207-K242 HydrophobicContact CZ-CB 4.1Å; F207-H262 AromaticContact CD2-CD2 3.85Å; F207-H262 AromaticContact CD2-NE2 3.79Å
208Y97.7Very high98.2Very high6 Ų629.7 Ų29.72%0.02415%0.152CC..BIsolated β-bridgetrans-150.1136.3172.5177.2-84.8000108D29 T30 R180 A181 E182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 3.87Å; T30-Y208 PolarHBondContact OG1-OH 3.09Å; R180-Y208 WeakPolarHBondContact O-CD1 3.46Å; A181-Y208 CarbonylContact C-O 3.54Å; A181-Y208 VanDerWaalsContact CA-O 3.28Å; A181-Y208 WeakPolarHBondContact CA-O 3.39Å; E182-Y208 PolarHBondContact N-O 3.03Å; E182-Y208 PolarHBondContact O-N 2.98Å; E182-Y208 VanDerWaalsContact O-N 3.08Å; Y208-G238 WeakPolarHBondContact CD2-O 3.37Å; Y208-F240 HydrophobicContact CD2-CD2 4.48Å; Y208-F240 AromaticContact CD2-CE2 3.99Å; Y208-F240 HydrophobicContact CD2-CE2 3.99Å; Y208-F240 HydrophobicContact CE2-CE2 4.47Å; Y208-H262 PolarHBondContact O-CE1 3.34Å
209P97.4Very high98.2Very high17 Ų1734.5 Ų34.511%0.1118%0.177CC..SBendcis-71.5-177.11.330.7-37.6000113.6D29 F207 E211 H262 E263D29-P209 WeakPolarHBondContact OD2-CB 3.37Å; F207-P209 VanDerWaalsContact CD2-O 3.32Å; F207-P209 WeakPolarHBondContact CD2-O 3.48Å; P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 3.02Å; P209-H262 PolarHBondContact O-NE2 3.07Å; P209-E263 VanDerWaalsContact CD-CD 3.43Å; P209-E263 WeakPolarHBondContact CD-OE1 3.47Å; P209-E263 VanDerWaalsContact CG-CD 3.48Å; P209-E263 HydrophobicContact CG-CG 3.82Å; P209-E263 WeakPolarHBondContact CG-OE1 3.24Å
210A97.7Very high98Very high20 Ų2035.8 Ų35.817%0.16520%0.195CC..SBendtrans-71.2-22.9-17600000114D29 I212 T232 F240D29-A210 WeakPolarHBondContact OD2-CB 3.37Å; D29-A210 PolarHBondContact OD2-N 3.33Å; A210-I212 PolarHBondContact O-N 3.02Å; A210-T232 HydrophobicContact CB-CG2 4.31Å; A210-F240 HydrophobicContact CB-CD1 3.78Å; A210-F240 HydrophobicContact CB-CD2 3.79Å; A210-F240 HydrophobicContact CB-CE1 3.7Å; A210-F240 HydrophobicContact CB-CE2 3.72Å; A210-F240 HydrophobicContact CB-CG 3.83Å; A210-F240 HydrophobicContact CB-CZ 3.69Å
211E97.9Very high97.9Very high149 Ų14942.7 Ų42.770%0.69623%0.227SC*.  trans-67.6117.7-178.1-171.961-152.800110.6P209 H262P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 3.02Å; E211-H262 PolarHBondContact O-CD2 2.71Å; E211-H262 VanDerWaalsContact O-CD2 3.27Å
212I98.4Very high97.8Very high14 Ų1444.6 Ų44.67%0.07224%0.241CC..  trans-153.7144.1-178.3-163.3171.2000109.9P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 3.95Å; P184-I212 HydrophobicContact CG-CD1 4.06Å; A204-I212 HydrophobicContact CB-CD1 3.63Å; F207-I212 HydrophobicContact CD1-CD1 3.86Å; F207-I212 HydrophobicContact CD2-CB 4.24Å; F207-I212 HydrophobicContact CD2-CD1 3.96Å; F207-I212 HydrophobicContact CD2-CG2 4.49Å; F207-I212 HydrophobicContact CE1-CD1 3.8Å; F207-I212 HydrophobicContact CE1-CG2 4.46Å; F207-I212 HydrophobicContact CE2-CB 3.76Å; F207-I212 HydrophobicContact CE2-CD1 3.94Å; F207-I212 HydrophobicContact CE2-CG1 4.44Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 3.95Å; F207-I212 HydrophobicContact CZ-CB 4.17Å; F207-I212 HydrophobicContact CZ-CD1 3.87Å; F207-I212 HydrophobicContact CZ-CG2 3.57Å; A210-I212 PolarHBondContact O-N 3.02Å; I212-L214 HydrophobicContact CB-CD1 4.42Å; I212-L214 HydrophobicContact CD1-CD1 3.62Å; I212-L214 HydrophobicContact CG1-CD1 3.62Å; I212-L214 HydrophobicContact CG2-CD1 4.04Å; I212-K242 HydrophobicContact CG2-CB 4.32Å; I212-K242 HydrophobicContact CG2-CD 3.61Å; I212-V260 HydrophobicContact CD1-CG1 4.03Å; I212-V260 HydrophobicContact CG1-CG1 4.33Å; I212-Q261 VanDerWaalsContact CG1-O 3.28Å; I212-Q261 WeakPolarHBondContact CG1-O 3.38Å; I212-H262 HydrophobicContact CD1-CB 4.39Å; I212-H262 HydrophobicContact CG1-CB 4.14Å
213T98.3Very high97.7Very high58 Ų5845.9 Ų45.936%0.35625%0.247SC..EExtended strand (participates in β ladder)trans-114.1122.8173.9-55.50000109.6T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4.02Å; T213-V260 WeakPolarHBondContact O-CA 3.43Å; T213-Q261 PolarHBondContact N-O 3.36Å; T213-Q261 PolarHBondContact O-N 3.48Å
214L98.3Very high97.4Very high7 Ų748.7 Ų48.74%0.03727%0.27CS..EExtended strand (participates in β ladder)trans-118.6121.4171.5-85.363.3000108.1A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 3.97Å; A204-L214 HydrophobicContact CB-CD2 4.11Å; I212-L214 HydrophobicContact CB-CD1 4.42Å; I212-L214 HydrophobicContact CD1-CD1 3.62Å; I212-L214 HydrophobicContact CG1-CD1 3.62Å; I212-L214 HydrophobicContact CG2-CD1 4.04Å; L214-L229 HydrophobicContact CB-CD1 4.26Å; L214-K242 HydrophobicContact CD1-CD 4.25Å; L214-K242 HydrophobicContact CD2-CB 4.34Å; L214-K242 HydrophobicContact CD2-CG 4.4Å; L214-A244 HydrophobicContact CB-CB 4.01Å; L214-A244 HydrophobicContact CD2-CB 4.34Å; L214-H259 WeakPolarHBondContact CA-O 3.5Å; L214-V260 HydrophobicContact CD1-CG1 4.16Å; L214-V260 HydrophobicContact CG-CG2 4.32Å
215T98.3Very high97.2Very high42 Ų4257.9 Ų57.926%0.25831%0.313SS..EExtended strand (participates in β ladder)trans-131.6147.117656.10000111.3T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.02Å; T215-C258 CarbonylContact O-C 3.57Å; T215-C258 WeakPolarHBondContact O-CA 3.48Å; T215-H259 PolarHBondContact N-O 2.89Å; T215-H259 PolarHBondContact O-N 3.17Å
216W98.6Very high96.9Very high2 Ų260.5 Ų60.51%0.00833%0.327CS..EExtended strand (participates in β ladder)trans-102136.6168.3-82.8105000109.7V188 L200 C202 Q223 A244 V246 T257 C258V188-W216 HydrophobicContact CG1-CH2 3.87Å; V188-W216 HydrophobicContact CG1-CZ2 4.27Å; V188-W216 HydrophobicContact CG2-CH2 4.22Å; L200-W216 HydrophobicContact CB-CH2 3.7Å; L200-W216 HydrophobicContact CB-CZ2 3.76Å; L200-W216 HydrophobicContact CB-CZ3 4.47Å; L200-W216 HydrophobicContact CD1-CH2 4.04Å; L200-W216 HydrophobicContact CD1-CZ3 4.19Å; C202-W216 HydrophobicContact CB-CZ2 3.65Å; W216-Q223 HydrophobicContact CB-CB 4.33Å; W216-Q223 PolarHBondContact O-N 2.7Å; W216-A244 PolarHBondContact NE1-O 3.33Å; W216-V246 HydrophobicContact CB-CG1 3.7Å; W216-V246 HydrophobicContact CB-CG2 4.36Å; W216-V246 HydrophobicContact CD2-CG1 4.46Å; W216-V246 HydrophobicContact CD2-CG2 3.66Å; W216-V246 HydrophobicContact CE3-CG2 4.09Å; W216-V246 HydrophobicContact CG-CB 4.4Å; W216-V246 HydrophobicContact CG-CG1 3.69Å; W216-V246 HydrophobicContact CG-CG2 3.79Å; W216-V246 HydrophobicContact CZ2-CG2 4.42Å; W216-T257 WeakPolarHBondContact CA-O 3.05Å; W216-C258 HydrophobicContact CD2-CB 4.14Å; W216-C258 HydrophobicContact CE3-CB 4.09Å; W216-C258 HydrophobicContact CH2-CB 3.97Å; W216-C258 HydrophobicContact CZ2-CB 4.02Å; W216-C258 HydrophobicContact CZ3-CB 4Å
217Q98.4Very high96.9Very high41 Ų4160.7 Ų60.719%0.19232%0.324CS..EExtended strand (participates in β ladder)trans-118.9144.7170.7-70.1-174.3-8.100110.3E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.53Å; Q217-E221 VanDerWaalsContact CA-O 3.22Å; Q217-E221 WeakPolarHBondContact CA-O 3.04Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.25Å; Q217-D222 PolarHBondContact NE2-OD1 2.85Å; Q217-Y256 CarbonylContact O-C 3.59Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.32Å; Q217-T257 PolarHBondContact N-O 2.82Å; Q217-T257 PolarHBondContact O-N 2.94Å; Q217-H259 PolarHBondContact OE1-NE2 3.23Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.16Å
218R97.9Very high96.8Very high72 Ų7266.3 Ų66.327%0.27235%0.35SS..EExtended strand (participates in β ladder)trans-116.3119167.9-175.7-171.8-176.5178.2-0.4108G220 E221 Q223 E252 R255 Y256R218-G220 PolarHBondContact O-N 3.26Å; R218-E221 PolarHBondContact N-O 3.02Å; R218-E221 PolarHBondContact O-N 2.84Å; R218-Q223 HydrophobicContact CB-CG 3.99Å; R218-E252 IonicContact CZ-OE2 3.96Å; R218-E252 IonicContact NE-OE2 3.27Å; R218-E252 IonicContact NH2-OE1 3.06Å; R218-E252 IonicContact NH2-OE2 3.8Å; R218-E252 PolarHBondContact NH2-OE2 3.35Å; R218-R255 WeakPolarHBondContact CA-O 3.24Å; R218-R255 HydrophobicContact CG-CB 4.42Å; R218-Y256 HydrophobicContact CB-CD1 4.04Å; R218-Y256 HydrophobicContact CB-CE1 3.79Å; R218-Y256 WeakPolarHBondContact CD-OH 3.47Å; R218-Y256 HydrophobicContact CG-CD1 4.38Å; R218-Y256 HydrophobicContact CG-CE1 3.93Å; R218-Y256 HydrophobicContact CG-CE2 4.16Å; R218-Y256 PolarHBondContact NE-OH 3.27Å
219D96.6Very high96.8Very high100 Ų10070.2 Ų70.254%0.53537%0.371SS..THydrogen-bonded Turntrans5129.2-175.2-51.9-50.8000114R255D219-R255 PolarHBondContact N-O 3.13Å; D219-R255 IonicContact OD1-NE 3.89Å; D219-R255 PolarHBondContact OD1-NE 2.83Å; D219-R255 IonicContact OD2-CZ 3.5Å; D219-R255 IonicContact OD2-NE 2.73Å; D219-R255 PolarHBondContact OD2-NE 2.63Å; D219-R255 IonicContact OD2-NH2 3.54Å; D219-R255 PolarHBondContact OD2-NH2 3.14Å
220G93.5Very high96.9Very high48 Ų4870.9 Ų70.950%0.49538%0.375SS..THydrogen-bonded Turntrans91.1-1.3-177.800000115.7R218R218-G220 PolarHBondContact O-N 3.26Å
221E97.1Very high96.9Very high145 Ų14578.2 Ų78.268%0.67841%0.406SS*.EExtended strand (participates in β ladder)trans-99.3128.7177.6-63.2-171.9171.700112.1Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.53Å; Q217-E221 VanDerWaalsContact CA-O 3.22Å; Q217-E221 WeakPolarHBondContact CA-O 3.04Å; R218-E221 PolarHBondContact N-O 3.02Å; R218-E221 PolarHBondContact O-N 2.84Å; E221-Q223 PolarHBondContact O-NE2 3.47Å
222D97Very high96.9Very high93 Ų9373.4 Ų73.450%0.49739%0.387SS..EExtended strand (participates in β ladder)trans-62.3131.9-179.2-71.5-17.7000112.5Q217 T224Q217-D222 WeakPolarHBondContact CG-OD1 3.25Å; Q217-D222 PolarHBondContact NE2-OD1 2.85Å; D222-T224 PolarHBondContact O-N 2.88Å
223Q96.7Very high96.9Very high28 Ų2877.4 Ų77.413%0.13140%0.401CS..  trans-100.939.6-177.2-58-59.4-68.800112.5W216 R218 E221 Q225 D226 T227 V246 Y256W216-Q223 HydrophobicContact CB-CB 4.33Å; W216-Q223 PolarHBondContact O-N 2.7Å; R218-Q223 HydrophobicContact CB-CG 3.99Å; E221-Q223 PolarHBondContact O-NE2 3.47Å; Q223-Q225 VanDerWaalsContact C-N 3.29Å; Q223-Q225 PolarHBondContact O-N 3.03Å; Q223-D226 PolarHBondContact O-N 3.21Å; Q223-D226 VanDerWaalsContact O-N 3.15Å; Q223-T227 WeakPolarHBondContact O-CB 3.5Å; Q223-T227 PolarHBondContact O-N 3.17Å; Q223-T227 PolarHBondContact O-OG1 3.2Å; Q223-V246 HydrophobicContact CB-CG1 4.37Å; Q223-Y256 HydrophobicContact CG-CE1 4.47Å
224T93.1Very high96.8Very high105 Ų10579 Ų7964%0.64441%0.413SS*.THydrogen-bonded Turntrans-58.9-34.2-169.5-52.50000114.1D222D222-T224 PolarHBondContact O-N 2.88Å
225Q93.6Very high96.8Very high192 Ų19281.1 Ų81.190%0.89743%0.431SS*.THydrogen-bonded Turntrans-76.8-30.9-179.9-66.6-173.4-3.100112.9Q223Q223-Q225 VanDerWaalsContact C-N 3.29Å; Q223-Q225 PolarHBondContact O-N 3.03Å
226D92.5Very high96.6Very high112 Ų11282.8 Ų82.860%0.59946%0.457SS*.THydrogen-bonded Turntrans-96.6-2.5-176.3-55.9-59000112.5Q223Q223-D226 PolarHBondContact O-N 3.21Å; Q223-D226 VanDerWaalsContact O-N 3.15Å
227T96.9Very high96.4Very high24 Ų2488 Ų8815%0.14749%0.485CS..  trans-89.4118.8179.1-61.90000110.8Q223 L229 A244 A245 V246Q223-T227 WeakPolarHBondContact O-CB 3.5Å; Q223-T227 PolarHBondContact O-N 3.17Å; Q223-T227 PolarHBondContact O-OG1 3.2Å; T227-L229 HydrophobicContact CG2-CB 4.39Å; T227-L229 PolarHBondContact O-N 2.95Å; T227-A244 HydrophobicContact CG2-CB 3.88Å; T227-A245 CarbonylContact C-O 3.54Å; T227-A245 WeakPolarHBondContact CA-O 3.39Å; T227-V246 HydrophobicContact CG2-CG1 4.5Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.41Å
228E97.8Very high96.1Very high117 Ų11788.2 Ų88.255%0.54750%0.498SS..EExtended strand (participates in β ladder)trans-75.8110.8162.8-172.7-174.8-171.700108.9W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.16Å; E228-W243 HydrophobicContact CG-CH2 3.85Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.34Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.44Å; E228-A244 CarbonylContact O-C 3.56Å; E228-A244 WeakPolarHBondContact O-CA 3.5Å; E228-A245 HydrophobicContact CB-CB 4.45Å; E228-A245 PolarHBondContact N-O 3.09Å; E228-A245 PolarHBondContact O-N 3.12Å
229L97.8Very high96.1Very high88 Ų8885.2 Ų85.246%0.46149%0.487SS..EExtended strand (participates in β ladder)trans-117.4119.4-179.4-171.969.1000110.2L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.26Å; T227-L229 HydrophobicContact CG2-CB 4.39Å; T227-L229 PolarHBondContact O-N 2.95Å; L229-K242 HydrophobicContact CD1-CD 4.49Å; L229-A244 HydrophobicContact CD1-CB 3.6Å
230V97.6Very high96.2Very high32 Ų3281.8 Ų81.819%0.19447%0.467CS..PPolyproline II helixtrans-82.5153.9175.4-660000112.2K242 W243V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 WeakPolarHBondContact O-CE 3.39Å; V230-K242 PolarHBondContact O-NZ 2.62Å; V230-W243 HydrophobicContact CB-CZ2 4.41Å; V230-W243 HydrophobicContact CG1-CD2 3.97Å; V230-W243 HydrophobicContact CG1-CE3 4.35Å; V230-W243 HydrophobicContact CG1-CH2 3.63Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.19Å; V230-W243 HydrophobicContact CG2-CD2 3.8Å; V230-W243 HydrophobicContact CG2-CG 3.75Å; V230-W243 HydrophobicContact CG2-CZ2 4.45Å; V230-W243 WeakPolarHBondContact CG2-O 3.43Å; V230-W243 PolarHBondContact N-O 3.14Å
231E97.6Very high96.4Very high174 Ų17481.7 Ų81.781%0.81345%0.454SS*.PPolyproline II helixtrans-56.5145.5166.6-68.1-173.5172.600110.9R233E231-R233 PolarHBondContact O-N 3.44Å
232T98.4Very high96.5Very high47 Ų4775.8 Ų75.829%0.28843%0.426SS..PPolyproline II helixtrans-65.8128.6172.6-56.70000108.3F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.04Å; F207-T232 HydrophobicContact CZ-CG2 3.88Å; A210-T232 HydrophobicContact CB-CG2 4.31Å; T232-F240 HydrophobicContact CG2-CB 3.82Å; T232-F240 HydrophobicContact CG2-CD1 3.94Å; T232-F240 HydrophobicContact CG2-CG 4.15Å; T232-K242 WeakPolarHBondContact OG1-CD 3.49Å; T232-K242 PolarHBondContact OG1-NZ 3.03Å
233R98.1Very high96.6Very high98 Ų9872.6 Ų72.637%0.3741%0.407SS..EExtended strand (participates in β ladder)trans-126.4145.1-173.867.9-169.5-178.5-169.42.3111.4E231 F240 Q241E231-R233 PolarHBondContact O-N 3.44Å; R233-F240 WeakPolarHBondContact O-CA 3.45Å; R233-Q241 HydrophobicContact CG-CG 3.56Å; R233-Q241 PolarHBondContact N-O 2.9Å; R233-Q241 WeakPolarHBondContact O-CG 3.42Å; R233-Q241 PolarHBondContact O-N 2.83Å
234P97.8Very high96.7Very high93 Ų9371.3 Ų71.360%0.60440%0.401SS*.EExtended strand (participates in β ladder)trans-69.3144.9178.929-34.8000111.2F240P234-F240 HydrophobicContact CB-CE1 4.36Å
235A97.1Very high96.9Very high50 Ų5066.4 Ų66.441%0.41337%0.372SS..  trans-87.8-17.8172.800000112.9T239A235-T239 PolarHBondContact N-O 3.43Å
236G94.7Very high97.1Very high78 Ų7857.4 Ų57.480%0.80433%0.33SS*.SBendtrans96-6.7179.100000114.8
237D93.9Very high97.4Very high112 Ų11255.9 Ų55.960%0.59932%0.324SS*.SBendtrans-105.111176.561.31.3000113.1T239D237-T239 WeakPolarHBondContact OD1-CB 3.33Å; D237-T239 PolarHBondContact OD1-N 2.85Å; D237-T239 PolarHBondContact OD1-OG1 2.91Å
238G92.8Very high97.4Very high45 Ų4554.8 Ų54.846%0.46432%0.317SS..SBendtrans91.7-3.1-17400000114.2Y208Y208-G238 WeakPolarHBondContact CD2-O 3.37Å
239T97.3Very high97.4Very high8 Ų851.4 Ų51.45%0.04931%0.306CS..  trans-103.1172.9174.473.80000112.4E182 F207 A235 D237E182-T239 WeakPolarHBondContact OE2-CG2 3.48Å; F207-T239 CarbonylContact O-C 3.6Å; F207-T239 WeakPolarHBondContact O-CA 3.41Å; A235-T239 PolarHBondContact N-O 3.43Å; D237-T239 WeakPolarHBondContact OD1-CB 3.33Å; D237-T239 PolarHBondContact OD1-N 2.85Å; D237-T239 PolarHBondContact OD1-OG1 2.91Å
240F98.5Very high97.2Very high28 Ų2850 Ų5012%0.12330%0.304CS..EExtended strand (participates in β ladder)trans-120.9162.6-178.3-63.5-86.2000112.1D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.84Å; D29-F240 HydrophobicContact CB-CZ 3.77Å; G206-F240 PolarHBondContact N-O 2.87Å; F207-F240 VanDerWaalsContact CD1-O 3.29Å; F207-F240 WeakPolarHBondContact CD1-O 3.37Å; F207-F240 HydrophobicContact CD2-CB 3.9Å; F207-F240 HydrophobicContact CE1-CB 4.22Å; F207-F240 WeakPolarHBondContact CE1-O 3.49Å; F207-F240 HydrophobicContact CE2-CB 3.45Å; F207-F240 VanDerWaalsContact CE2-CB 3.45Å; F207-F240 HydrophobicContact CE2-CG 4.43Å; F207-F240 HydrophobicContact CG-CB 4.43Å; F207-F240 HydrophobicContact CZ-CB 3.62Å; F207-F240 PolarHBondContact N-O 3.49Å; F207-F240 PolarHBondContact O-N 3.11Å; Y208-F240 HydrophobicContact CD2-CD2 4.48Å; Y208-F240 AromaticContact CD2-CE2 3.99Å; Y208-F240 HydrophobicContact CD2-CE2 3.99Å; Y208-F240 HydrophobicContact CE2-CE2 4.47Å; A210-F240 HydrophobicContact CB-CD1 3.78Å; A210-F240 HydrophobicContact CB-CD2 3.79Å; A210-F240 HydrophobicContact CB-CE1 3.7Å; A210-F240 HydrophobicContact CB-CE2 3.72Å; A210-F240 HydrophobicContact CB-CG 3.83Å; A210-F240 HydrophobicContact CB-CZ 3.69Å; T232-F240 HydrophobicContact CG2-CB 3.82Å; T232-F240 HydrophobicContact CG2-CD1 3.94Å; T232-F240 HydrophobicContact CG2-CG 4.15Å; R233-F240 WeakPolarHBondContact O-CA 3.45Å; P234-F240 HydrophobicContact CB-CE1 4.36Å
241Q98.5Very high97.1Very high46 Ų4651.8 Ų51.822%0.21533%0.328CS..EExtended strand (participates in β ladder)trans-140.6147.1174.146.6168.5-25.300110.1A204 L205 R233A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 3.36Å; L205-Q241 HydrophobicContact CD2-CB 3.56Å; R233-Q241 HydrophobicContact CG-CG 3.56Å; R233-Q241 PolarHBondContact N-O 2.9Å; R233-Q241 WeakPolarHBondContact O-CG 3.42Å; R233-Q241 PolarHBondContact O-N 2.83Å
242K98.8Very high97.1Very high22 Ų2246 Ų4610%0.09630%0.301CS..EExtended strand (participates in β ladder)trans-151.7154.4177.1-163.2-176.9-172.970.30109A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 3.31Å; A204-K242 PolarHBondContact O-N 3.28Å; A204-K242 VanDerWaalsContact O-O 3.11Å; F207-K242 HydrophobicContact CE1-CB 4.35Å; F207-K242 HydrophobicContact CZ-CB 4.1Å; I212-K242 HydrophobicContact CG2-CB 4.32Å; I212-K242 HydrophobicContact CG2-CD 3.61Å; L214-K242 HydrophobicContact CD1-CD 4.25Å; L214-K242 HydrophobicContact CD2-CB 4.34Å; L214-K242 HydrophobicContact CD2-CG 4.4Å; L229-K242 HydrophobicContact CD1-CD 4.49Å; V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 WeakPolarHBondContact O-CE 3.39Å; V230-K242 PolarHBondContact O-NZ 2.62Å; T232-K242 WeakPolarHBondContact OG1-CD 3.49Å; T232-K242 PolarHBondContact OG1-NZ 3.03Å
243W98.6Very high97Very high26 Ų2644.8 Ų44.810%0.09829%0.292CS..EExtended strand (participates in β ladder)trans-142.7155.5168.659.6-98.8000111.5R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 3.97Å; R201-W243 HydrophobicContact CG-CD2 4.15Å; R201-W243 HydrophobicContact CG-CE3 3.95Å; R201-W243 HydrophobicContact CG-CG 4.21Å; C202-W243 CarbonylContact O-C 3.42Å; C202-W243 WeakPolarHBondContact O-CA 3.4Å; C202-W243 VanDerWaalsContact O-CB 3.25Å; C202-W243 WeakPolarHBondContact O-CB 3.33Å; W203-W243 HydrophobicContact CD2-CB 3.94Å; W203-W243 HydrophobicContact CD2-CG 4.49Å; W203-W243 HydrophobicContact CE3-CB 3.84Å; W203-W243 AromaticContact CE3-CD1 3.91Å; W203-W243 HydrophobicContact CE3-CG 4.2Å; W203-W243 HydrophobicContact CG-CB 4.41Å; W203-W243 AromaticContact CH2-CD1 3.57Å; W203-W243 HydrophobicContact CH2-CG 4.2Å; W203-W243 HydrophobicContact CZ2-CG 4.48Å; W203-W243 HydrophobicContact CZ3-CB 4.21Å; W203-W243 AromaticContact CZ3-CD1 3.38Å; W203-W243 HydrophobicContact CZ3-CG 4.06Å; E228-W243 HydrophobicContact CB-CZ3 4.16Å; E228-W243 HydrophobicContact CG-CH2 3.85Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.34Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.44Å; V230-W243 HydrophobicContact CB-CZ2 4.41Å; V230-W243 HydrophobicContact CG1-CD2 3.97Å; V230-W243 HydrophobicContact CG1-CE3 4.35Å; V230-W243 HydrophobicContact CG1-CH2 3.63Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.19Å; V230-W243 HydrophobicContact CG2-CD2 3.8Å; V230-W243 HydrophobicContact CG2-CG 3.75Å; V230-W243 HydrophobicContact CG2-CZ2 4.45Å; V230-W243 WeakPolarHBondContact CG2-O 3.43Å; V230-W243 PolarHBondContact N-O 3.14Å; W243-A245 HydrophobicContact CE3-CB 3.91Å; W243-A245 HydrophobicContact CZ3-CB 3.64Å
244A98.6Very high97Very high0 Ų045.3 Ų45.30%030%0.299CS..EExtended strand (participates in β ladder)trans-128.3132.8173.700000108.4R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.21Å; C202-A244 PolarHBondContact N-O 2.83Å; C202-A244 PolarHBondContact O-N 3.14Å; L214-A244 HydrophobicContact CB-CB 4.01Å; L214-A244 HydrophobicContact CD2-CB 4.34Å; W216-A244 PolarHBondContact NE1-O 3.33Å; T227-A244 HydrophobicContact CG2-CB 3.88Å; E228-A244 CarbonylContact O-C 3.56Å; E228-A244 WeakPolarHBondContact O-CA 3.5Å; L229-A244 HydrophobicContact CD1-CB 3.6Å
245A98.4Very high97Very high3 Ų345.5 Ų45.53%0.02529%0.287CS..EExtended strand (participates in β ladder)trans-127.7145.9-179.500000112.3T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.89Å; L200-A245 CarbonylContact O-C 3.58Å; L200-A245 WeakPolarHBondContact O-CA 3.37Å; R201-A245 HydrophobicContact CB-CB 4.03Å; R201-A245 HydrophobicContact CG-CB 4.16Å; T227-A245 CarbonylContact C-O 3.54Å; T227-A245 WeakPolarHBondContact CA-O 3.39Å; E228-A245 HydrophobicContact CB-CB 4.45Å; E228-A245 PolarHBondContact N-O 3.09Å; E228-A245 PolarHBondContact O-N 3.12Å; W243-A245 HydrophobicContact CE3-CB 3.91Å; W243-A245 HydrophobicContact CZ3-CB 3.64Å
246V98.2Very high97Very high3 Ų343.6 Ų43.62%0.01827%0.27CS..EExtended strand (participates in β ladder)trans-131.8144.7173.2-72.80000109.1T199 L200 W216 Q223 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 2.98Å; L200-V246 HydrophobicContact CB-CG2 4.21Å; L200-V246 PolarHBondContact N-O 3.44Å; L200-V246 PolarHBondContact O-N 2.84Å; W216-V246 HydrophobicContact CB-CG1 3.7Å; W216-V246 HydrophobicContact CB-CG2 4.36Å; W216-V246 HydrophobicContact CD2-CG1 4.46Å; W216-V246 HydrophobicContact CD2-CG2 3.66Å; W216-V246 HydrophobicContact CE3-CG2 4.09Å; W216-V246 HydrophobicContact CG-CB 4.4Å; W216-V246 HydrophobicContact CG-CG1 3.69Å; W216-V246 HydrophobicContact CG-CG2 3.79Å; W216-V246 HydrophobicContact CZ2-CG2 4.42Å; Q223-V246 HydrophobicContact CB-CG1 4.37Å; T227-V246 HydrophobicContact CG2-CG1 4.5Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.41Å; V246-V248 HydrophobicContact CB-CG1 4.4Å; V246-V248 HydrophobicContact CG2-CG1 3.79Å; V246-Y256 HydrophobicContact CG2-CD1 4.08Å
247V97.9Very high97.2Very high79 Ų7940.2 Ų40.248%0.47923%0.233SC..EExtended strand (participates in β ladder)trans-87.4127.9168.7-178.30000107.6E197 A198E197-V247 HydrophobicContact CB-CG1 3.99Å; E197-V247 HydrophobicContact CG-CG1 4.22Å; A198-V247 WeakPolarHBondContact O-CA 3.38Å
248V97.3Very high97.4Very high1 Ų134.9 Ų34.91%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-126.3146-175.3-52.50000110.5E197 A198 L200 V246 E253 Y256E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.34Å; A198-V248 PolarHBondContact N-O 2.85Å; A198-V248 PolarHBondContact O-N 3.11Å; L200-V248 HydrophobicContact CD1-CG1 4.01Å; L200-V248 HydrophobicContact CD1-CG2 4.05Å; L200-V248 HydrophobicContact CG-CG1 4.16Å; L200-V248 HydrophobicContact CG-CG2 3.84Å; V246-V248 HydrophobicContact CB-CG1 4.4Å; V246-V248 HydrophobicContact CG2-CG1 3.79Å; V248-E253 HydrophobicContact CG2-CG 4.03Å; V248-Y256 HydrophobicContact CB-CD2 4.02Å; V248-Y256 HydrophobicContact CB-CE2 3.67Å; V248-Y256 HydrophobicContact CG1-CD1 3.77Å; V248-Y256 HydrophobicContact CG1-CD2 3.59Å; V248-Y256 HydrophobicContact CG1-CE1 3.67Å; V248-Y256 HydrophobicContact CG1-CE2 3.51Å; V248-Y256 HydrophobicContact CG1-CG 3.73Å
249P97.3Very high97.7Very high47 Ų4734.4 Ų34.431%0.30519%0.191SC..EExtended strand (participates in β ladder)trans-62.9139.8170.5-20.332.4000111.3H196 G251 E252H196-P249 CarbonylContact O-C 3.58Å; H196-P249 WeakPolarHBondContact O-CA 3.42Å; P249-G251 PolarHBondContact O-N 3.32Å; P249-E252 HydrophobicContact CB-CB 4.32Å; P249-E252 HydrophobicContact CB-CG 4.09Å; P249-E252 HydrophobicContact CG-CG 4.47Å; P249-E252 WeakPolarHBondContact O-CB 3.44Å; P249-E252 PolarHBondContact O-N 3.38Å
250S94.8Very high97.8Very high59 Ų5934 Ų3441%0.41319%0.188SC..THydrogen-bonded Turntrans-59.3129.1176-620000111.2H196 E197 E253H196-S250 VanDerWaalsContact C-OG 3.26Å; H196-S250 PolarHBondContact O-N 3.5Å; E197-S250 PolarHBondContact N-OG 2.83Å; S250-E253 WeakPolarHBondContact CA-OE1 3.15Å
251G94.9Very high97.8Very high69 Ų6937.8 Ų37.871%0.71121%0.206SC*.THydrogen-bonded Turntrans89.9-6.3-176.100000114.8P249 E253P249-G251 PolarHBondContact O-N 3.32Å; G251-E253 WeakPolarHBondContact CA-OE2 3.3Å; G251-E253 VanDerWaalsContact N-CD 3.31Å; G251-E253 PolarHBondContact N-OE1 2.87Å; G251-E253 PolarHBondContact N-OE2 3.36Å
252E97.1Very high97.7Very high53 Ų5336.3 Ų36.325%0.24820%0.199CC..  trans-100.45.1175.6-66.4-161.8-164.200113.8R218 P249 Q254 R255 Y256R218-E252 IonicContact CZ-OE2 3.96Å; R218-E252 IonicContact NE-OE2 3.27Å; R218-E252 IonicContact NH2-OE1 3.06Å; R218-E252 IonicContact NH2-OE2 3.8Å; R218-E252 PolarHBondContact NH2-OE2 3.35Å; P249-E252 HydrophobicContact CB-CB 4.32Å; P249-E252 HydrophobicContact CB-CG 4.09Å; P249-E252 HydrophobicContact CG-CG 4.47Å; P249-E252 WeakPolarHBondContact O-CB 3.44Å; P249-E252 PolarHBondContact O-N 3.38Å; E252-Q254 PolarHBondContact O-N 2.9Å; E252-Q254 VanDerWaalsContact O-N 3.09Å; E252-R255 VanDerWaalsContact CD-NH1 3.28Å; E252-R255 WeakPolarHBondContact O-CB 3.46Å; E252-R255 PolarHBondContact O-N 3.49Å; E252-R255 IonicContact OE1-NH1 3.7Å; E252-R255 IonicContact OE2-CZ 2.79Å; E252-R255 IonicContact OE2-NE 3.61Å; E252-R255 IonicContact OE2-NH1 3.8Å; E252-R255 PolarHBondContact OE2-NH1 3Å; E252-Y256 HydrophobicContact CB-CE2 4.34Å; E252-Y256 WeakPolarHBondContact O-CD2 3.35Å
253E96.9Very high97.6Very high21 Ų2141.6 Ų41.610%0.09822%0.224CC..G310 helixtrans-57.1-35.6-169.6-58.781.3-17900112.5H190 L200 V248 S250 G251 R255 Y256 W273H190-E253 IonicContact NE2-OE1 3.93Å; L200-E253 HydrophobicContact CD1-CB 4.17Å; L200-E253 HydrophobicContact CD2-CG 4.32Å; V248-E253 HydrophobicContact CG2-CG 4.03Å; S250-E253 WeakPolarHBondContact CA-OE1 3.15Å; G251-E253 WeakPolarHBondContact CA-OE2 3.3Å; G251-E253 VanDerWaalsContact N-CD 3.31Å; G251-E253 PolarHBondContact N-OE1 2.87Å; G251-E253 PolarHBondContact N-OE2 3.36Å; E253-R255 VanDerWaalsContact C-N 3.25Å; E253-R255 PolarHBondContact O-N 2.84Å; E253-Y256 PolarHBondContact O-N 3.13Å; E253-Y256 VanDerWaalsContact O-N 3.12Å; E253-W273 HydrophobicContact CB-CE3 3.65Å; E253-W273 HydrophobicContact CB-CZ3 4.16Å; E253-W273 HydrophobicContact CG-CE3 3.75Å; E253-W273 HydrophobicContact CG-CZ3 3.91Å
254Q97.1Very high97.4Very high108 Ų10841.4 Ų41.451%0.50523%0.23SC..G310 helixtrans-71.1-16-178.9-64.2-58.3-4600114.4E252 Y256 R272 W273E252-Q254 PolarHBondContact O-N 2.9Å; E252-Q254 VanDerWaalsContact O-N 3.09Å; Q254-Y256 PolarHBondContact O-N 2.91Å; Q254-R272 PolarHBondContact O-NE 3.31Å; Q254-W273 PolarHBondContact NE2-O 3.3Å
255R97.8Very high97.3Very high97 Ų9742.6 Ų42.637%0.36624%0.236SC..G310 helixtrans-74-16.9172.5-63.8174.466.3179.86.3112.1R218 D219 E252 E253R218-R255 WeakPolarHBondContact CA-O 3.24Å; R218-R255 HydrophobicContact CG-CB 4.42Å; D219-R255 PolarHBondContact N-O 3.13Å; D219-R255 IonicContact OD1-NE 3.89Å; D219-R255 PolarHBondContact OD1-NE 2.83Å; D219-R255 IonicContact OD2-CZ 3.5Å; D219-R255 IonicContact OD2-NE 2.73Å; D219-R255 PolarHBondContact OD2-NE 2.63Å; D219-R255 IonicContact OD2-NH2 3.54Å; D219-R255 PolarHBondContact OD2-NH2 3.14Å; E252-R255 VanDerWaalsContact CD-NH1 3.28Å; E252-R255 WeakPolarHBondContact O-CB 3.46Å; E252-R255 PolarHBondContact O-N 3.49Å; E252-R255 IonicContact OE1-NH1 3.7Å; E252-R255 IonicContact OE2-CZ 2.79Å; E252-R255 IonicContact OE2-NE 3.61Å; E252-R255 IonicContact OE2-NH1 3.8Å; E252-R255 PolarHBondContact OE2-NH1 3Å; E253-R255 VanDerWaalsContact C-N 3.25Å; E253-R255 PolarHBondContact O-N 2.84Å
256Y98.3Very high97.2Very high10 Ų1048.9 Ų48.94%0.03928%0.277CS..EExtended strand (participates in β ladder)trans-98.1130.9-177.3-66.8-97.7000111.4L200 Q217 R218 Q223 V246 V248 E252 E253 Q254L200-Y256 HydrophobicContact CD1-CG 4.48Å; Q217-Y256 CarbonylContact O-C 3.59Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.32Å; R218-Y256 HydrophobicContact CB-CD1 4.04Å; R218-Y256 HydrophobicContact CB-CE1 3.79Å; R218-Y256 WeakPolarHBondContact CD-OH 3.47Å; R218-Y256 HydrophobicContact CG-CD1 4.38Å; R218-Y256 HydrophobicContact CG-CE1 3.93Å; R218-Y256 HydrophobicContact CG-CE2 4.16Å; R218-Y256 PolarHBondContact NE-OH 3.27Å; Q223-Y256 HydrophobicContact CG-CE1 4.47Å; V246-Y256 HydrophobicContact CG2-CD1 4.08Å; V248-Y256 HydrophobicContact CB-CD2 4.02Å; V248-Y256 HydrophobicContact CB-CE2 3.67Å; V248-Y256 HydrophobicContact CG1-CD1 3.77Å; V248-Y256 HydrophobicContact CG1-CD2 3.59Å; V248-Y256 HydrophobicContact CG1-CE1 3.67Å; V248-Y256 HydrophobicContact CG1-CE2 3.51Å; V248-Y256 HydrophobicContact CG1-CG 3.73Å; E252-Y256 HydrophobicContact CB-CE2 4.34Å; E252-Y256 WeakPolarHBondContact O-CD2 3.35Å; E253-Y256 PolarHBondContact O-N 3.13Å; E253-Y256 VanDerWaalsContact O-N 3.12Å; Q254-Y256 PolarHBondContact O-N 2.91Å
257T98.4Very high97.1Very high7 Ų755.3 Ų55.34%0.04331%0.307CS..EExtended strand (participates in β ladder)trans-124.3132.6174.345.30000110.8W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.05Å; Q217-T257 PolarHBondContact N-O 2.82Å; Q217-T257 PolarHBondContact O-N 2.94Å; T257-H259 PolarHBondContact OG1-NE2 3.23Å; T257-T270 HydrophobicContact CG2-CG2 3.85Å; T257-L271 CarbonylContact C-O 3.58Å; T257-L271 VanDerWaalsContact CA-O 3.31Å; T257-L271 WeakPolarHBondContact CA-O 3.45Å; T257-R272 HydrophobicContact CG2-CG 3.61Å; T257-R272 VanDerWaalsContact CG2-NE 3.28Å
258C98.6Very high97.1Very high0 Ų055.2 Ų55.20%031%0.308CS..EExtended strand (participates in β ladder)trans-90.8129.6168.5175.40000109.7C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.49Å; C202-C258 VanDerWaalsContact CB-CB 3.49Å; C202-C258 WeakPolarHBondContact CB-SG 3.48Å; C202-C258 WeakPolarHBondContact SG-CB 3.47Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 2.81Å; T215-C258 CarbonylContact O-C 3.57Å; T215-C258 WeakPolarHBondContact O-CA 3.48Å; W216-C258 HydrophobicContact CD2-CB 4.14Å; W216-C258 HydrophobicContact CE3-CB 4.09Å; W216-C258 HydrophobicContact CH2-CB 3.97Å; W216-C258 HydrophobicContact CZ2-CB 4.02Å; W216-C258 HydrophobicContact CZ3-CB 4Å; C258-T270 CarbonylContact O-C 3.55Å; C258-T270 WeakPolarHBondContact O-CA 3.36Å; C258-L271 HydrophobicContact CB-CB 4.3Å; C258-L271 PolarHBondContact N-O 3.34Å; C258-L271 PolarHBondContact O-N 3.44Å
259H98.4Very high97.2Very high36 Ų3657.9 Ų57.917%0.16732%0.322CS..EExtended strand (participates in β ladder)trans-109.1131.5176.3-63-98.9000109.9L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.5Å; T215-H259 PolarHBondContact N-O 2.89Å; T215-H259 PolarHBondContact O-N 3.17Å; Q217-H259 PolarHBondContact OE1-NE2 3.23Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.16Å; T257-H259 PolarHBondContact OG1-NE2 3.23Å; H259-L269 VanDerWaalsContact CA-O 3.31Å; H259-L269 WeakPolarHBondContact CA-O 3.42Å; H259-T270 PolarHBondContact CE1-OG1 3.17Å; H259-T270 PolarHBondContact ND1-OG1 2.81Å
260V98.6Very high97.2Very high0 Ų059.5 Ų59.50%033%0.331CS..EExtended strand (participates in β ladder)trans-125.1122.8-178.1-174.60000109.8P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.9Å; T186-V260 HydrophobicContact CG2-CB 4.35Å; T186-V260 HydrophobicContact CG2-CG1 4.08Å; T186-V260 HydrophobicContact CG2-CG2 4Å; I212-V260 HydrophobicContact CD1-CG1 4.03Å; I212-V260 HydrophobicContact CG1-CG1 4.33Å; T213-V260 WeakPolarHBondContact O-CA 3.43Å; L214-V260 HydrophobicContact CD1-CG1 4.16Å; L214-V260 HydrophobicContact CG-CG2 4.32Å; V260-L265 HydrophobicContact CG1-CD1 4.3Å; V260-P268 WeakPolarHBondContact O-CA 3.33Å; V260-L269 HydrophobicContact CB-CB 4.35Å; V260-L269 PolarHBondContact N-O 3.07Å; V260-L269 PolarHBondContact O-N 3.04Å; V260-L271 HydrophobicContact CG2-CD1 3.77Å
261Q98.4Very high97.3Very high106 Ų10658.3 Ų58.350%0.49532%0.32SS..EExtended strand (participates in β ladder)trans-118.6131.6173.5-58.3178.3-6.900109.7I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.28Å; I212-Q261 WeakPolarHBondContact CG1-O 3.38Å; T213-Q261 PolarHBondContact N-O 3.36Å; T213-Q261 PolarHBondContact O-N 3.48Å; Q261-P268 HydrophobicContact CG-CB 4Å; Q261-P268 HydrophobicContact CG-CG 4.11Å
262H98.3Very high97.4Very high15 Ų1561.9 Ų61.97%0.06931%0.312CS..  trans-155.6145.5179.5-177.3-97.4000108.7E182 P184 F207 Y208 P209 E211 I212 G264 L265E182-H262 PolarHBondContact O-CE1 3.45Å; P184-H262 HydrophobicContact CG-CB 4.04Å; F207-H262 AromaticContact CD2-CD2 3.85Å; F207-H262 AromaticContact CD2-NE2 3.79Å; Y208-H262 PolarHBondContact O-CE1 3.34Å; P209-H262 PolarHBondContact O-NE2 3.07Å; E211-H262 PolarHBondContact O-CD2 2.71Å; E211-H262 VanDerWaalsContact O-CD2 3.27Å; I212-H262 HydrophobicContact CD1-CB 4.39Å; I212-H262 HydrophobicContact CG1-CB 4.14Å; H262-G264 PolarHBondContact ND1-N 3.26Å; H262-G264 PolarHBondContact O-N 2.98Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.19Å; H262-L265 WeakPolarHBondContact O-CB 3.47Å; H262-L265 PolarHBondContact O-N 2.78Å
263E95.8Very high97.2Very high134 Ų13466.2 Ų66.263%0.62633%0.326SS*.THydrogen-bonded Turntrans-63.6-25.6-176.661.9159.4-151.300114.1A181 P209 L265A181-E263 HydrophobicContact CB-CG 4.13Å; P209-E263 VanDerWaalsContact CD-CD 3.43Å; P209-E263 WeakPolarHBondContact CD-OE1 3.47Å; P209-E263 VanDerWaalsContact CG-CD 3.48Å; P209-E263 HydrophobicContact CG-CG 3.82Å; P209-E263 WeakPolarHBondContact CG-OE1 3.24Å; E263-L265 PolarHBondContact O-N 3.39Å
264G94.8Very high97.3Very high21 Ų2168.5 Ų68.522%0.21634%0.337CS..THydrogen-bonded Turntrans-75.6-6174.700000114.6A181 H262A181-G264 VanDerWaalsContact CB-CA 3.48Å; H262-G264 PolarHBondContact ND1-N 3.26Å; H262-G264 PolarHBondContact O-N 2.98Å
265L97.1Very high97.3Very high26 Ų2666.4 Ų66.414%0.13633%0.329CS..  trans-95.3132.5175.6-67.7169.6000110.2H183 P184 V260 H262 E263 E267 L269H183-L265 HydrophobicContact CB-CD2 3.93Å; H183-L265 HydrophobicContact CB-CG 4.46Å; P184-L265 HydrophobicContact CG-CD1 3.91Å; P184-L265 HydrophobicContact CG-CG 4.28Å; V260-L265 HydrophobicContact CG1-CD1 4.3Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.19Å; H262-L265 WeakPolarHBondContact O-CB 3.47Å; H262-L265 PolarHBondContact O-N 2.78Å; E263-L265 PolarHBondContact O-N 3.39Å; L265-E267 VanDerWaalsContact C-N 3.25Å; L265-E267 WeakPolarHBondContact CB-O 3.34Å; L265-E267 PolarHBondContact O-N 2.92Å; L265-L269 HydrophobicContact CD1-CD1 4.06Å; L265-L269 HydrophobicContact CD1-CG 3.93Å; L265-L269 HydrophobicContact CD2-CD1 3.79Å; L265-L269 HydrophobicContact CD2-CD2 4.48Å; L265-L269 HydrophobicContact CD2-CG 4Å
266P95.8Very high97.2Very high135 Ų13564.7 Ų64.788%0.87733%0.327SS*.SBendtrans-67.4-29.7175.228-33.9000112.3
267E96.6Very high97.2Very high138 Ų13867.9 Ų67.965%0.64534%0.343SS*.SBendtrans-145.1152.6175.262.8-173.7173.500110.3L265L265-E267 VanDerWaalsContact C-N 3.25Å; L265-E267 WeakPolarHBondContact CB-O 3.34Å; L265-E267 PolarHBondContact O-N 2.92Å
268P97.5Very high97.1Very high77 Ų7771.8 Ų71.850%0.536%0.362SS..  trans-57138.4174.8-25.335.5000112.3V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.33Å; Q261-P268 HydrophobicContact CG-CB 4Å; Q261-P268 HydrophobicContact CG-CG 4.11Å
269L98Very high97Very high56 Ų5676.5 Ų76.529%0.29339%0.386SS..EExtended strand (participates in β ladder)trans-88.1143175.3-61.3177.7000110.5T186 H259 V260 L265T186-L269 HydrophobicContact CG2-CD1 4.32Å; H259-L269 VanDerWaalsContact CA-O 3.31Å; H259-L269 WeakPolarHBondContact CA-O 3.42Å; V260-L269 HydrophobicContact CB-CB 4.35Å; V260-L269 PolarHBondContact N-O 3.07Å; V260-L269 PolarHBondContact O-N 3.04Å; L265-L269 HydrophobicContact CD1-CD1 4.06Å; L265-L269 HydrophobicContact CD1-CG 3.93Å; L265-L269 HydrophobicContact CD2-CD1 3.79Å; L265-L269 HydrophobicContact CD2-CD2 4.48Å; L265-L269 HydrophobicContact CD2-CG 4Å
270T98.3Very high96.9Very high82 Ų8279.4 Ų79.450%0.50340%0.402SS..EExtended strand (participates in β ladder)trans-121.1120.5170.2-57.20000108.6T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.85Å; C258-T270 CarbonylContact O-C 3.55Å; C258-T270 WeakPolarHBondContact O-CA 3.36Å; H259-T270 PolarHBondContact CE1-OG1 3.17Å; H259-T270 PolarHBondContact ND1-OG1 2.81Å
271L97.8Very high96.8Very high34 Ų3485.5 Ų85.518%0.17843%0.433CS..EExtended strand (participates in β ladder)trans-118.9145.9-174.5-59.4134.4000110.1T186 V188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.25Å; V188-L271 HydrophobicContact CG2-CB 3.88Å; T257-L271 CarbonylContact C-O 3.58Å; T257-L271 VanDerWaalsContact CA-O 3.31Å; T257-L271 WeakPolarHBondContact CA-O 3.45Å; C258-L271 HydrophobicContact CB-CB 4.3Å; C258-L271 PolarHBondContact N-O 3.34Å; C258-L271 PolarHBondContact O-N 3.44Å; V260-L271 HydrophobicContact CG2-CD1 3.77Å
272R96.4Very high96.6Very high143 Ų14383.8 Ų83.854%0.5443%0.428SS..  trans-124.7165.2166.8-67.1-171.3174.2933.6108.7Q254 T257Q254-R272 PolarHBondContact O-NE 3.31Å; T257-R272 HydrophobicContact CG2-CG 3.61Å; T257-R272 VanDerWaalsContact CG2-NE 3.28Å
273W93.6Very high96.5Very high145 Ų14590.1 Ų90.155%0.54946%0.46SS..  trans-72.40166.7175.255.4000110.9V188 H190 L200 E253 Q254V188-W273 HydrophobicContact CG1-CB 3.9Å; H190-W273 HydrophobicContact CB-CD2 3.87Å; H190-W273 VanDerWaalsContact CB-CE2 3.46Å; H190-W273 HydrophobicContact CB-CG 3.97Å; H190-W273 HydrophobicContact CB-CZ2 3.99Å; H190-W273 VanDerWaalsContact CB-NE1 3.32Å; H190-W273 AromaticContact CG-CE2 3.73Å; H190-W273 AromaticContact CG-CZ2 3.81Å; H190-W273 AromaticContact ND1-CZ2 3.88Å; L200-W273 HydrophobicContact CD2-CB 3.9Å; L200-W273 HydrophobicContact CD2-CG 4.15Å; E253-W273 HydrophobicContact CB-CE3 3.65Å; E253-W273 HydrophobicContact CB-CZ3 4.16Å; E253-W273 HydrophobicContact CG-CE3 3.75Å; E253-W273 HydrophobicContact CG-CZ3 3.91Å; Q254-W273 PolarHBondContact NE2-O 3.3Å

Retrieved 273 of 273 residues in 303.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).