A0A060VG17_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VG17, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 340 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
1S93.4Very high98Very high108 Ų10836.4 Ų36.476%0.75520%0.203SC*.  0158.9040.90000107.5V102S1-V102 WeakPolarHBondContact CA-O 3.34Å; S1-V102 VanDerWaalsContact CB-O 3.28Å; S1-V102 WeakPolarHBondContact CB-O 3.45Å
2H97Very high97.9Very high34 Ų3434.8 Ų34.816%0.15720%0.196CC..EExtended strand (participates in β ladder)trans-136161.1179.5-63.5-77.8000111.2D28 D101 V102 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.45Å; H2-D28 IonicContact CE1-OD2 2.73Å; H2-D28 IonicContact CG-OD2 2.7Å; H2-D28 IonicContact ND1-OD1 3.52Å; H2-D28 IonicContact ND1-OD2 2.69Å; H2-D28 PolarHBondContact ND1-OD2 2.94Å; H2-D101 CarbonylContact O-C 3.6Å; H2-D101 WeakPolarHBondContact O-CA 3.44Å; H2-V102 HydrophobicContact CB-CG2 3.98Å; H2-V102 PolarHBondContact N-O 3.33Å; H2-V102 PolarHBondContact O-N 3Å; H2-L167 HydrophobicContact CB-CD1 4.49Å; H2-L171 HydrophobicContact CB-CD1 3.43Å; H2-L171 VanDerWaalsContact CB-CD1 3.43Å; H2-L171 HydrophobicContact CB-CD2 4.26Å; H2-L171 HydrophobicContact CB-CG 4.49Å
3S98Very high97.8Very high23 Ų2337.3 Ų37.316%0.16120%0.201CC..EExtended strand (participates in β ladder)trans-138.8150.6179.865.70000112V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.59Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.28Å; S3-D28 PolarHBondContact N-OD1 2.93Å; S3-D28 PolarHBondContact O-N 3.45Å; S3-D28 PolarHBondContact OG-OD1 3.36Å; S3-C100 WeakPolarHBondContact CA-O 3.36Å; S3-D101 WeakPolarHBondContact CB-OD1 3.5Å
4M98.6Very high97.4Very high0 Ų038.4 Ų38.40%021%0.21CC..EExtended strand (participates in β ladder)trans-121.8123.8166.3-173.8172.25800108.6Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.11Å; M4-Y6 HydrophobicContact CG-CE2 4Å; M4-Y6 HydrophobicContact SD-CE2 3.87Å; M4-Y26 CarbonylContact C-O 3.59Å; M4-Y26 WeakPolarHBondContact CA-O 3.5Å; M4-V27 HydrophobicContact CG-CG2 4.44Å; M4-F32 HydrophobicContact CG-CE1 4.45Å; M4-F32 HydrophobicContact SD-CZ 4.37Å; M4-G99 CarbonylContact O-C 3.53Å; M4-G99 WeakPolarHBondContact O-CA 3.35Å; M4-C100 PolarHBondContact N-O 3.44Å; M4-C100 PolarHBondContact O-N 3.42Å; M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 VanDerWaalsContact CE-O 3.25Å; M4-C163 WeakPolarHBondContact CE-O 3.4Å; M4-C163 WeakPolarHBondContact CE-SG 3.33Å; M4-W166 HydrophobicContact CE-CB 4.01Å; M4-W166 HydrophobicContact SD-CB 4.33Å; M4-L167 HydrophobicContact CB-CB 4.14Å; M4-L167 HydrophobicContact CB-CD1 4.01Å; M4-L167 HydrophobicContact CB-CD2 4.17Å; M4-L167 HydrophobicContact CB-CG 4.32Å; M4-Y170 HydrophobicContact SD-CD2 3.77Å; M4-Y170 HydrophobicContact SD-CE2 3.5Å; M4-Y170 VanDerWaalsContact SD-CE2 3.5Å
5R98.6Very high96.9Very high46 Ų4641.8 Ų41.817%0.17426%0.258CS..EExtended strand (participates in β ladder)trans-131.3135.2-178.3-56.5-62.6179.478.37.5111.1F7 G25 Y26 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.46Å; R5-F7 HydrophobicContact CB-CE2 3.62Å; R5-F7 HydrophobicContact CB-CZ 3.96Å; R5-G25 CarbonylContact O-C 3.47Å; R5-G25 WeakPolarHBondContact O-CA 3.26Å; R5-Y26 PolarHBondContact N-O 3.24Å; R5-Y26 PolarHBondContact O-N 3.15Å; R5-D101 IonicContact CZ-OD1 3.72Å; R5-D101 IonicContact NE-OD1 2.95Å; R5-D101 PolarHBondContact NE-OD1 3.22Å; R5-D101 VanDerWaalsContact NH2-CG 3.28Å; R5-D101 IonicContact NH2-OD1 3.26Å; R5-D101 PolarHBondContact NH2-OD1 3.47Å; R5-D101 IonicContact NH2-OD2 2.73Å; R5-D101 PolarHBondContact NH2-OD2 3.2Å; R5-Y112 PolarHBondContact NH2-OH 2.84Å
6Y98.8Very high96.6Very high8 Ų852.6 Ų52.63%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-113.2137.4170.3-68.7-90.2000109.9M4 F8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.11Å; M4-Y6 HydrophobicContact CG-CE2 4Å; M4-Y6 HydrophobicContact SD-CE2 3.87Å; Y6-F8 HydrophobicContact CD1-CE1 4.33Å; Y6-V24 CarbonylContact C-O 3.59Å; Y6-V24 WeakPolarHBondContact CA-O 3.45Å; Y6-F32 AromaticContact CE1-CZ 3.88Å; Y6-F32 HydrophobicContact CE1-CZ 3.88Å; Y6-F32 HydrophobicContact CE2-CZ 4.5Å; Y6-F32 AromaticContact CZ-CZ 3.67Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.27Å; Y6-V33 HydrophobicContact CE1-CG2 3.95Å; Y6-M97 WeakPolarHBondContact O-CA 3.37Å; Y6-Y98 HydrophobicContact CD2-CD2 4.47Å; Y6-Y98 AromaticContact CD2-CE2 3.68Å; Y6-Y98 HydrophobicContact CD2-CE2 3.68Å; Y6-Y98 AromaticContact CD2-CZ 3.73Å; Y6-Y98 HydrophobicContact CE2-CE2 4.43Å; Y6-Y98 HydrophobicContact CG-CE1 4.27Å; Y6-Y98 HydrophobicContact CG-CE2 4.19Å; Y6-Y98 AromaticContact CG-CZ 3.76Å; Y6-Y98 PolarHBondContact N-O 3.27Å; Y6-Y98 PolarHBondContact O-N 3.2Å; Y6-Y98 VanDerWaalsContact O-N 3.11Å
7F98.8Very high96.2Very high85 Ų8553 Ų5337%0.37331%0.312SS..EExtended strand (participates in β ladder)trans-124.3119.1178.7-56.9-97.5000109.3R5 A23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CD2 4.46Å; R5-F7 HydrophobicContact CB-CE2 3.62Å; R5-F7 HydrophobicContact CB-CZ 3.96Å; F7-A23 WeakPolarHBondContact O-CA 3.33Å; F7-V24 HydrophobicContact CB-CG2 3.83Å; F7-V24 HydrophobicContact CD2-CG2 4.3Å; F7-V24 HydrophobicContact CG-CG2 4.5Å; F7-V24 PolarHBondContact N-O 3.49Å; F7-V24 PolarHBondContact O-N 3.39Å; F7-Y26 HydrophobicContact CD2-CD2 4.15Å; F7-Y26 HydrophobicContact CE2-CD2 4.16Å; F7-R96 WeakPolarHBondContact CA-O 3.44Å; F7-M97 HydrophobicContact CD1-CB 3.92Å; F7-M97 HydrophobicContact CD1-CG 3.61Å; F7-M97 HydrophobicContact CE1-CB 4.08Å; F7-M97 HydrophobicContact CE1-CG 3.36Å; F7-M97 HydrophobicContact CG-CG 4.4Å; F7-M97 HydrophobicContact CZ-CG 3.95Å
8F98.8Very high96.1Very high4 Ų455.2 Ų55.22%0.01832%0.318CS..EExtended strand (participates in β ladder)trans-113.2133.5177.8-57.7-14.2000109.2Y6 F21 I22 A23 H69 H73 Q95 R96 Y98Y6-F8 HydrophobicContact CD1-CE1 4.33Å; F8-F21 HydrophobicContact CB-CE2 3.88Å; F8-F21 HydrophobicContact CB-CZ 3.76Å; F8-F21 HydrophobicContact CD1-CZ 4.35Å; F8-F21 AromaticContact CD2-CZ 3.94Å; F8-F21 HydrophobicContact CD2-CZ 3.94Å; F8-F21 HydrophobicContact CG-CE2 4.35Å; F8-F21 AromaticContact CG-CZ 3.77Å; F8-F21 HydrophobicContact CG-CZ 3.77Å; F8-I22 CarbonylContact C-O 3.57Å; F8-I22 WeakPolarHBondContact CA-O 3.49Å; F8-A23 HydrophobicContact CD1-CB 3.27Å; F8-A23 HydrophobicContact CE1-CB 3.51Å; F8-A23 HydrophobicContact CG-CB 4.19Å; F8-H69 HydrophobicContact CD2-CB 4.17Å; F8-H69 HydrophobicContact CE2-CB 3.9Å; F8-H69 AromaticContact CE2-CD2 3.49Å; F8-H69 VanDerWaalsContact CE2-CD2 3.49Å; F8-H69 WeakPolarHBondContact CE2-CD2 3.42Å; F8-H69 AromaticContact CE2-CG 3.66Å; F8-H73 AromaticContact CD2-NE2 3.97Å; F8-Q95 CarbonylContact O-C 3.6Å; F8-Q95 VanDerWaalsContact O-CA 3.27Å; F8-Q95 WeakPolarHBondContact O-CA 3.36Å; F8-R96 HydrophobicContact CB-CB 4.32Å; F8-R96 PolarHBondContact N-O 2.95Å; F8-R96 PolarHBondContact O-N 3.42Å; F8-Y98 HydrophobicContact CD2-CE1 4.26Å; F8-Y98 HydrophobicContact CE1-CE1 4.16Å; F8-Y98 AromaticContact CE2-CE1 3.57Å; F8-Y98 HydrophobicContact CE2-CE1 3.57Å; F8-Y98 AromaticContact CZ-CE1 3.52Å; F8-Y98 HydrophobicContact CZ-CE1 3.52Å; F8-Y98 AromaticContact CZ-CZ 3.91Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.42Å
9T98.8Very high96.2Very high42 Ų4253.5 Ų53.526%0.25831%0.309SS..EExtended strand (participates in β ladder)trans-130.5126.3176.9-57.80000109.1V11 F21 I22 T93 Q95T9-V11 HydrophobicContact CG2-CG2 4.12Å; T9-F21 WeakPolarHBondContact O-CA 3.32Å; T9-I22 PolarHBondContact N-O 2.84Å; T9-I22 PolarHBondContact O-N 3.14Å; T9-T93 HydrophobicContact CG2-CG2 3.94Å; T9-Q95 HydrophobicContact CG2-CG 4.02Å
10S98.6Very high96.3Very high2 Ų255.4 Ų55.41%0.01431%0.311CS..EExtended strand (participates in β ladder)trans-118.8127.9173.4-164.60000109.7R20 L77 T93 V94S10-R20 CarbonylContact C-O 3.57Å; S10-R20 VanDerWaalsContact CA-O 3.29Å; S10-R20 WeakPolarHBondContact CA-O 3.33Å; S10-L77 VanDerWaalsContact OG-CD1 3.29Å; S10-L77 WeakPolarHBondContact OG-CD1 3.31Å; S10-T93 CarbonylContact O-C 3.59Å; S10-T93 VanDerWaalsContact O-CA 3.31Å; S10-T93 WeakPolarHBondContact O-CA 3.41Å; S10-V94 PolarHBondContact N-O 2.94Å; S10-V94 PolarHBondContact O-N 2.89Å
11V98.4Very high96.4Very high48 Ų4852.7 Ų52.729%0.29130%0.296SS..EExtended strand (participates in β ladder)trans-120116.9179.7-173.70000108.6T9 P19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 4.12Å; V11-P19 CarbonylContact O-C 3.56Å; V11-P19 WeakPolarHBondContact O-CA 3.29Å; V11-P19 WeakPolarHBondContact O-CB 3.37Å; V11-R20 PolarHBondContact N-O 2.66Å; V11-R20 PolarHBondContact O-N 3.3Å; V11-H92 WeakPolarHBondContact CA-O 3.38Å; V11-T93 HydrophobicContact CG2-CG2 4.18Å
12S97.5Very high96.6Very high17 Ų1749.6 Ų49.612%0.11927%0.271CS..  trans-67.4149175.471.10000110.8S91 H92S12-S91 PolarHBondContact O-OG 3.2Å; S12-H92 PolarHBondContact N-O 2.93Å; S12-H92 PolarHBondContact OG-N 3.33Å; S12-H92 PolarHBondContact OG-O 2.98Å
13R96.1Very high96.7Very high68 Ų6848 Ų4826%0.25726%0.264SS..  trans-133.672.1-176.6-60.3-175.4-74.6-162.1-11.2110.7G15 R16 E18 D38R13-G15 PolarHBondContact O-N 2.88Å; R13-R16 HydrophobicContact CB-CB 4.06Å; R13-R16 PolarHBondContact O-N 2.94Å; R13-E18 PolarHBondContact NE-O 3.31Å; R13-E18 PolarHBondContact NH2-O 3.35Å; R13-D38 IonicContact CZ-OD1 3.7Å; R13-D38 IonicContact CZ-OD2 3.27Å; R13-D38 IonicContact NH1-OD1 2.84Å; R13-D38 PolarHBondContact NH1-OD1 3.49Å; R13-D38 IonicContact NH1-OD2 3.74Å; R13-D38 PolarHBondContact NH1-OD2 3.46Å; R13-D38 IonicContact NH2-OD1 3.52Å; R13-D38 PolarHBondContact NH2-OD1 2.89Å; R13-D38 IonicContact NH2-OD2 3.64Å
14P91.6Very high96.8Very high52 Ų5248.1 Ų48.134%0.33826%0.263SS..THydrogen-bonded Turntrans-50.2126.4-177.2-26.434.2000112.3R16 E88 G90P14-R16 PolarHBondContact O-N 3.44Å; P14-E88 WeakPolarHBondContact CB-O 3.39Å; P14-E88 WeakPolarHBondContact CG-O 3.39Å; P14-G90 WeakPolarHBondContact CG-O 3.47Å
15G89.8Confident96.8Very high90 Ų9048.1 Ų48.193%0.92826%0.263SS*.THydrogen-bonded Turntrans70.75.1-178.800000115.9R13R13-G15 PolarHBondContact O-N 2.88Å
16R92.1Very high96.8Very high214 Ų21449.2 Ų49.281%0.80827%0.268SS*.SBendtrans-125.924.3-178.5-59.4-178.1-178.2-175.60.5113.2R13 P14R13-R16 HydrophobicContact CB-CB 4.06Å; R13-R16 PolarHBondContact O-N 2.94Å; P14-R16 PolarHBondContact O-N 3.44Å
17G91.3Very high96.7Very high60 Ų6048.9 Ų48.962%0.61927%0.266SS*.SBendtrans95-158.6177.100000114.1
18E94.1Very high96.6Very high92 Ų9246.2 Ų46.243%0.4326%0.256SS..SBendtrans-67.4153.8-178-67.8-63.3164.200112.3R13 R20 R74R13-E18 PolarHBondContact NE-O 3.31Å; R13-E18 PolarHBondContact NH2-O 3.35Å; E18-R20 PolarHBondContact O-N 2.86Å; E18-R74 IonicContact OE1-CZ 3.39Å; E18-R74 IonicContact OE1-NH1 3.04Å; E18-R74 PolarHBondContact OE1-NH1 2.88Å; E18-R74 IonicContact OE1-NH2 3.24Å; E18-R74 PolarHBondContact OE1-NH2 3.4Å; E18-R74 WeakPolarHBondContact OE2-CD 3.33Å; E18-R74 IonicContact OE2-CZ 3.84Å; E18-R74 IonicContact OE2-NE 2.71Å; E18-R74 PolarHBondContact OE2-NE 3.48Å; E18-R74 IonicContact OE2-NH1 3.03Å; E18-R74 PolarHBondContact OE2-NH1 2.91Å; E18-R74 IonicContact OE2-NH2 3.84Å; E18-R74 PolarHBondContact OE2-NH2 2.89Å
19P96.9Very high96.5Very high23 Ų2349.2 Ų49.215%0.14927%0.272CS..PPolyproline II helixtrans-53139.3171.9-25.234.9000112V11 R74 L77V11-P19 CarbonylContact O-C 3.56Å; V11-P19 WeakPolarHBondContact O-CA 3.29Å; V11-P19 WeakPolarHBondContact O-CB 3.37Å; P19-R74 HydrophobicContact CG-CG 4.34Å; P19-L77 HydrophobicContact CB-CD1 3.58Å; P19-L77 HydrophobicContact CG-CD1 3.66Å
20R98.1Very high96.3Very high91 Ų9148.2 Ų48.234%0.34327%0.266SS..EExtended strand (participates in β ladder)trans-77.6127.4171.3-173176.9179.8-176-1.1108.4S10 V11 E18 I22 D36 D38S10-R20 CarbonylContact C-O 3.57Å; S10-R20 VanDerWaalsContact CA-O 3.29Å; S10-R20 WeakPolarHBondContact CA-O 3.33Å; V11-R20 PolarHBondContact N-O 2.66Å; V11-R20 PolarHBondContact O-N 3.3Å; E18-R20 PolarHBondContact O-N 2.86Å; R20-I22 HydrophobicContact CG-CG1 4.39Å; R20-D36 IonicContact CZ-OD1 3.77Å; R20-D36 IonicContact CZ-OD2 3.64Å; R20-D36 IonicContact NE-OD1 3.01Å; R20-D36 PolarHBondContact NE-OD1 2.94Å; R20-D36 VanDerWaalsContact NE-OD1 3.12Å; R20-D36 IonicContact NE-OD2 2.7Å; R20-D36 IonicContact NH2-OD1 3.55Å; R20-D36 IonicContact NH2-OD2 2.72Å; R20-D36 PolarHBondContact NH2-OD2 3.33Å; R20-D38 VanDerWaalsContact CD-OD2 3.28Å; R20-D38 WeakPolarHBondContact CD-OD2 3.32Å; R20-D38 IonicContact NE-OD2 3.96Å
21F98.6Very high96.3Very high0 Ų050.5 Ų50.50%028%0.277CS..EExtended strand (participates in β ladder)trans-115.7124.6177.1-178-92.3000110.5F8 T9 A23 F35 S37 V66 H69 S70 H73F8-F21 HydrophobicContact CB-CE2 3.88Å; F8-F21 HydrophobicContact CB-CZ 3.76Å; F8-F21 HydrophobicContact CD1-CZ 4.35Å; F8-F21 AromaticContact CD2-CZ 3.94Å; F8-F21 HydrophobicContact CD2-CZ 3.94Å; F8-F21 HydrophobicContact CG-CE2 4.35Å; F8-F21 AromaticContact CG-CZ 3.77Å; F8-F21 HydrophobicContact CG-CZ 3.77Å; T9-F21 WeakPolarHBondContact O-CA 3.32Å; F21-A23 HydrophobicContact CE1-CB 3.8Å; F21-A23 HydrophobicContact CZ-CB 4.25Å; F21-F35 AromaticContact CD1-CD1 3.84Å; F21-F35 HydrophobicContact CD1-CD1 3.84Å; F21-F35 AromaticContact CD1-CE1 3.89Å; F21-F35 HydrophobicContact CD1-CE1 3.89Å; F21-F35 HydrophobicContact CE1-CD1 4.23Å; F21-S37 PolarHBondContact N-OG 3.5Å; F21-S37 PolarHBondContact O-N 2.87Å; F21-S37 PolarHBondContact O-OG 2.93Å; F21-V66 HydrophobicContact CE1-CG2 3.7Å; F21-H69 HydrophobicContact CZ-CB 4.16Å; F21-S70 WeakPolarHBondContact CB-OG 3.31Å; F21-H73 HydrophobicContact CD2-CB 4.05Å; F21-H73 HydrophobicContact CE2-CB 4.04Å; F21-H73 AromaticContact CE2-CD2 3.88Å; F21-H73 AromaticContact CE2-CG 3.65Å; F21-H73 AromaticContact CE2-ND1 3.78Å
22I98.8Very high96.3Very high43 Ų4348.2 Ų48.222%0.22126%0.263CS..EExtended strand (participates in β ladder)trans-121.2132.4175.8-61.4166000107.9F8 T9 R20 V24 F35F8-I22 CarbonylContact C-O 3.57Å; F8-I22 WeakPolarHBondContact CA-O 3.49Å; T9-I22 PolarHBondContact N-O 2.84Å; T9-I22 PolarHBondContact O-N 3.14Å; R20-I22 HydrophobicContact CG-CG1 4.39Å; I22-V24 HydrophobicContact CG2-CG1 4.36Å; I22-F35 WeakPolarHBondContact CA-O 3.26Å
23A98.8Very high96.3Very high1 Ų147.4 Ų47.41%0.00826%0.257CS..EExtended strand (participates in β ladder)trans-125.4138.3171.400000110.2F7 F8 F21 R34 F35 V66F7-A23 WeakPolarHBondContact O-CA 3.33Å; F8-A23 HydrophobicContact CD1-CB 3.27Å; F8-A23 HydrophobicContact CE1-CB 3.51Å; F8-A23 HydrophobicContact CG-CB 4.19Å; F21-A23 HydrophobicContact CE1-CB 3.8Å; F21-A23 HydrophobicContact CZ-CB 4.25Å; A23-R34 CarbonylContact O-C 3.58Å; A23-R34 VanDerWaalsContact O-CA 3.32Å; A23-R34 WeakPolarHBondContact O-CA 3.36Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 3.5Å; A23-F35 PolarHBondContact O-N 2.95Å; A23-V66 HydrophobicContact CB-CG2 3.63Å
24V98.8Very high96.5Very high24 Ų2447.5 Ų47.515%0.14526%0.258CS..EExtended strand (participates in β ladder)trans-134.7144.5174.6-62.70000109.9Y6 F7 I22 Y26 V33 R34Y6-V24 CarbonylContact C-O 3.59Å; Y6-V24 WeakPolarHBondContact CA-O 3.45Å; F7-V24 HydrophobicContact CB-CG2 3.83Å; F7-V24 HydrophobicContact CD2-CG2 4.3Å; F7-V24 HydrophobicContact CG-CG2 4.5Å; F7-V24 PolarHBondContact N-O 3.49Å; F7-V24 PolarHBondContact O-N 3.39Å; I22-V24 HydrophobicContact CG2-CG1 4.36Å; V24-Y26 HydrophobicContact CB-CE2 4.04Å; V24-Y26 HydrophobicContact CG2-CD2 4.35Å; V24-Y26 HydrophobicContact CG2-CE2 3.78Å; V24-V33 WeakPolarHBondContact CA-O 3.28Å; V24-R34 HydrophobicContact CG1-CB 4.49Å; V24-R34 HydrophobicContact CG1-CG 4.21Å
25G98.7Very high96.8Very high0 Ų045.2 Ų45.20%024%0.242CC..EExtended strand (participates in β ladder)trans-122.3138.5176.300000110.7R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.47Å; R5-G25 WeakPolarHBondContact O-CA 3.26Å; G25-Q31 WeakPolarHBondContact O-CA 3.24Å; G25-Q31 WeakPolarHBondContact O-CG 3.47Å; G25-F32 WeakPolarHBondContact O-CD1 3.33Å; G25-F32 PolarHBondContact O-N 3Å; G25-V33 PolarHBondContact N-O 3.47Å; G25-V33 VanDerWaalsContact N-O 3.08Å; G25-V33 PolarHBondContact O-N 2.99Å
26Y98.6Very high97.2Very high70 Ų7041.9 Ų41.928%0.27520%0.203SC..EExtended strand (participates in β ladder)trans-125.6141.5178.8-74-101.7000110.7M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.59Å; M4-Y26 WeakPolarHBondContact CA-O 3.5Å; R5-Y26 PolarHBondContact N-O 3.24Å; R5-Y26 PolarHBondContact O-N 3.15Å; F7-Y26 HydrophobicContact CD2-CD2 4.15Å; F7-Y26 HydrophobicContact CE2-CD2 4.16Å; V24-Y26 HydrophobicContact CB-CE2 4.04Å; V24-Y26 HydrophobicContact CG2-CD2 4.35Å; V24-Y26 HydrophobicContact CG2-CE2 3.78Å; Y26-T30 WeakPolarHBondContact CA-O 3.44Å; Y26-T30 VanDerWaalsContact CD1-C 3.47Å; Y26-Q31 HydrophobicContact CD1-CB 3.98Å; Y26-Q31 VanDerWaalsContact CD1-N 3.3Å; Y26-Q31 HydrophobicContact CD2-CG 4.44Å; Y26-Q31 HydrophobicContact CE1-CB 3.49Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.49Å; Y26-Q31 HydrophobicContact CE1-CG 4.2Å; Y26-Q31 HydrophobicContact CE2-CB 4.18Å; Y26-Q31 HydrophobicContact CE2-CG 3.95Å
27V98.4Very high97.5Very high0 Ų032.5 Ų32.50%017%0.171CC..EExtended strand (participates in β ladder)trans-108.8119.3157.1176.40000106S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.59Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.28Å; M4-V27 HydrophobicContact CG-CG2 4.44Å; V27-D29 PolarHBondContact O-N 3.47Å; V27-T30 PolarHBondContact N-O 3.4Å; V27-T30 PolarHBondContact O-N 2.87Å; V27-F32 HydrophobicContact CG2-CD1 3.99Å; V27-F32 HydrophobicContact CG2-CE1 4.03Å; V27-W50 HydrophobicContact CG2-CH2 3.99Å; V27-L167 HydrophobicContact CG1-CD1 3.65Å; V27-L167 HydrophobicContact CG2-CD1 4.26Å; V27-Y170 HydrophobicContact CG2-CD2 3.96Å; V27-L171 HydrophobicContact CG1-CD2 4.01Å; V27-L171 HydrophobicContact CG1-CG 4.23Å; V27-L178 HydrophobicContact CB-CD1 4.27Å; V27-L178 HydrophobicContact CB-CD2 4.14Å; V27-L178 HydrophobicContact CG1-CD1 3.9Å; V27-L178 HydrophobicContact CG1-CD2 4.13Å
28D96.4Very high97.8Very high30 Ų3033.4 Ų33.416%0.1616%0.161CC..THydrogen-bonded Turntrans48.4-123-166.3-54.4-39.7000110.6H2 S3H2-D28 WeakPolarHBondContact CA-OD1 3.45Å; H2-D28 IonicContact CE1-OD2 2.73Å; H2-D28 IonicContact CG-OD2 2.7Å; H2-D28 IonicContact ND1-OD1 3.52Å; H2-D28 IonicContact ND1-OD2 2.69Å; H2-D28 PolarHBondContact ND1-OD2 2.94Å; S3-D28 PolarHBondContact N-OD1 2.93Å; S3-D28 PolarHBondContact O-N 3.45Å; S3-D28 PolarHBondContact OG-OD1 3.36Å
29D95.3Very high97.9Very high66 Ų6630.5 Ų30.535%0.35315%0.153SC..THydrogen-bonded Turntrans-93.36.2-179.9-53.3-57.4000113.3V27 Y208 A210 F240V27-D29 PolarHBondContact O-N 3.47Å; D29-Y208 HydrophobicContact CB-CE2 4.49Å; D29-A210 HydrophobicContact CB-CB 4.16Å; D29-A210 VanDerWaalsContact CG-CB 3.48Å; D29-A210 WeakPolarHBondContact OD2-CB 3.38Å; D29-A210 PolarHBondContact OD2-N 3.34Å; D29-F240 HydrophobicContact CB-CE2 3.83Å; D29-F240 HydrophobicContact CB-CZ 3.55Å
30T96.6Very high97.9Very high22 Ų2234.9 Ų34.914%0.13519%0.191CC..EExtended strand (participates in β ladder)trans-104.1115.8-175.7-60.50000111.7Y26 V27 F32 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.44Å; Y26-T30 VanDerWaalsContact CD1-C 3.47Å; V27-T30 PolarHBondContact N-O 3.4Å; V27-T30 PolarHBondContact O-N 2.87Å; T30-F32 PolarHBondContact O-N 3.35Å; T30-L178 HydrophobicContact CG2-CD2 4.04Å; T30-Y208 PolarHBondContact OG1-OH 2.93Å
31Q97.5Very high97.7Very high49 Ų4933 Ų3323%0.22919%0.192CC..EExtended strand (participates in β ladder)trans-68.5129.8173.4-166.7179.54.100110.3G25 Y26 V33 R47G25-Q31 WeakPolarHBondContact O-CA 3.24Å; G25-Q31 WeakPolarHBondContact O-CG 3.47Å; Y26-Q31 HydrophobicContact CD1-CB 3.98Å; Y26-Q31 VanDerWaalsContact CD1-N 3.3Å; Y26-Q31 HydrophobicContact CD2-CG 4.44Å; Y26-Q31 HydrophobicContact CE1-CB 3.49Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.49Å; Y26-Q31 HydrophobicContact CE1-CG 4.2Å; Y26-Q31 HydrophobicContact CE2-CB 4.18Å; Y26-Q31 HydrophobicContact CE2-CG 3.95Å; Q31-V33 PolarHBondContact NE2-O 3.4Å; Q31-R47 HydrophobicContact CB-CB 4.48Å; Q31-R47 HydrophobicContact CG-CB 4.09Å; Q31-R47 HydrophobicContact CG-CG 4.34Å; Q31-R47 CarbonylContact O-C 3.55Å
32F98.3Very high97.6Very high0 Ų037.4 Ų37.40%021%0.212CC..EExtended strand (participates in β ladder)trans-119.2-23179.374.7-83000114.2M4 Y6 G25 V27 T30 P46 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.45Å; M4-F32 HydrophobicContact SD-CZ 4.37Å; Y6-F32 AromaticContact CE1-CZ 3.88Å; Y6-F32 HydrophobicContact CE1-CZ 3.88Å; Y6-F32 HydrophobicContact CE2-CZ 4.5Å; Y6-F32 AromaticContact CZ-CZ 3.67Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.27Å; G25-F32 WeakPolarHBondContact O-CD1 3.33Å; G25-F32 PolarHBondContact O-N 3Å; V27-F32 HydrophobicContact CG2-CD1 3.99Å; V27-F32 HydrophobicContact CG2-CE1 4.03Å; T30-F32 PolarHBondContact O-N 3.35Å; F32-P46 CarbonylContact O-C 3.53Å; F32-R47 PolarHBondContact O-N 2.99Å; F32-A48 HydrophobicContact CB-CB 4.26Å; F32-W50 HydrophobicContact CB-CH2 3.16Å; F32-W50 HydrophobicContact CB-CZ2 3.32Å; F32-W50 HydrophobicContact CB-CZ3 4.06Å; F32-W50 HydrophobicContact CD1-CH2 4.15Å; F32-W50 AromaticContact CD2-CH2 3.88Å; F32-W50 HydrophobicContact CD2-CH2 3.88Å; F32-W50 HydrophobicContact CD2-CZ3 4.25Å; F32-W50 AromaticContact CG-CH2 3.5Å; F32-W50 HydrophobicContact CG-CH2 3.5Å; F32-W50 VanDerWaalsContact CG-CH2 3.5Å; F32-W50 HydrophobicContact CG-CZ2 4.12Å; F32-W50 HydrophobicContact CG-CZ3 4.3Å; F32-I51 HydrophobicContact CD2-CD1 4Å; F32-I51 HydrophobicContact CD2-CG1 4.07Å; F32-I51 HydrophobicContact CE2-CD1 4.4Å; F32-I51 WeakPolarHBondContact O-CG2 3.49Å; F32-Y170 HydrophobicContact CD2-CE2 4.5Å; F32-Y170 HydrophobicContact CE2-CD2 4.26Å; F32-Y170 AromaticContact CE2-CE2 3.68Å; F32-Y170 HydrophobicContact CE2-CE2 3.68Å; F32-Y170 AromaticContact CE2-CZ 4Å; F32-Y170 HydrophobicContact CZ-CD2 4.29Å; F32-Y170 AromaticContact CZ-CE2 3.78Å; F32-Y170 HydrophobicContact CZ-CE2 3.78Å
33V98.5Very high97.5Very high1 Ų142.5 Ų42.51%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-139.8153.8176.5-72.80000112.9Y6 V24 G25 Q31 M44 E45 W59Y6-V33 HydrophobicContact CE1-CG2 3.95Å; V24-V33 WeakPolarHBondContact CA-O 3.28Å; G25-V33 PolarHBondContact N-O 3.47Å; G25-V33 VanDerWaalsContact N-O 3.08Å; G25-V33 PolarHBondContact O-N 2.99Å; Q31-V33 PolarHBondContact NE2-O 3.4Å; V33-M44 HydrophobicContact CB-CG 4.07Å; V33-M44 HydrophobicContact CB-SD 3.71Å; V33-M44 HydrophobicContact CG1-CG 4.1Å; V33-M44 HydrophobicContact CG1-SD 4.4Å; V33-M44 HydrophobicContact CG2-SD 4.13Å; V33-E45 WeakPolarHBondContact CA-O 3.13Å; V33-W59 HydrophobicContact CG1-CH2 4.11Å; V33-W59 HydrophobicContact CG1-CZ3 3.94Å
34R98.6Very high97.5Very high70 Ų7043 Ų4326%0.26423%0.231SC..EExtended strand (participates in β ladder)trans-144.8144172.3-179.8174170.7100.55.9111.4A23 V24 D36 M44 E45 R47A23-R34 CarbonylContact O-C 3.58Å; A23-R34 VanDerWaalsContact O-CA 3.32Å; A23-R34 WeakPolarHBondContact O-CA 3.36Å; V24-R34 HydrophobicContact CG1-CB 4.49Å; V24-R34 HydrophobicContact CG1-CG 4.21Å; R34-D36 IonicContact NH2-OD2 3.28Å; R34-D36 PolarHBondContact NH2-OD2 3.49Å; R34-M44 VanDerWaalsContact C-SD 3.58Å; R34-E45 PolarHBondContact N-O 3.35Å; R34-E45 PolarHBondContact O-N 2.95Å; R34-R47 HydrophobicContact CB-CG 3.86Å
35F98.8Very high97.5Very high4 Ų444.7 Ų44.72%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-130.5143.4165175.2-84.9000109.7F21 I22 A23 Q42 R43 M44 V66 K67F21-F35 AromaticContact CD1-CD1 3.84Å; F21-F35 HydrophobicContact CD1-CD1 3.84Å; F21-F35 AromaticContact CD1-CE1 3.89Å; F21-F35 HydrophobicContact CD1-CE1 3.89Å; F21-F35 HydrophobicContact CE1-CD1 4.23Å; I22-F35 WeakPolarHBondContact CA-O 3.26Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 3.5Å; A23-F35 PolarHBondContact O-N 2.95Å; F35-Q42 VanDerWaalsContact CE2-C 3.49Å; F35-Q42 HydrophobicContact CE2-CB 4.46Å; F35-Q42 WeakPolarHBondContact CE2-O 3.24Å; F35-R43 WeakPolarHBondContact CD2-O 3.32Å; F35-M44 HydrophobicContact CB-CE 4.33Å; F35-M44 HydrophobicContact CB-SD 3.97Å; F35-V66 HydrophobicContact CB-CG1 4.15Å; F35-V66 HydrophobicContact CB-CG2 3.79Å; F35-V66 HydrophobicContact CD1-CG1 4.34Å; F35-V66 HydrophobicContact CD1-CG2 3.91Å; F35-V66 HydrophobicContact CD2-CG1 3.38Å; F35-V66 HydrophobicContact CD2-CG2 4.31Å; F35-V66 HydrophobicContact CE2-CG1 3.76Å; F35-V66 HydrophobicContact CG-CB 4.42Å; F35-V66 HydrophobicContact CG-CG1 3.7Å; F35-V66 HydrophobicContact CG-CG2 3.75Å; F35-V66 HydrophobicContact CZ-CG1 4.41Å; F35-K67 HydrophobicContact CE2-CG 4.22Å; F35-K67 HydrophobicContact CZ-CG 4.18Å
36D98.6Very high97.5Very high20 Ų2046.7 Ų46.711%0.10725%0.251CS..EExtended strand (participates in β ladder)trans-137.8121.9173.8-162.6-31.6000109R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.77Å; R20-D36 IonicContact CZ-OD2 3.64Å; R20-D36 IonicContact NE-OD1 3.01Å; R20-D36 PolarHBondContact NE-OD1 2.94Å; R20-D36 VanDerWaalsContact NE-OD1 3.12Å; R20-D36 IonicContact NE-OD2 2.7Å; R20-D36 IonicContact NH2-OD1 3.55Å; R20-D36 IonicContact NH2-OD2 2.72Å; R20-D36 PolarHBondContact NH2-OD2 3.33Å; R34-D36 IonicContact NH2-OD2 3.28Å; R34-D36 PolarHBondContact NH2-OD2 3.49Å; D36-D38 PolarHBondContact O-N 3.46Å; D36-D38 PolarHBondContact OD1-N 3.29Å; D36-A39 HydrophobicContact CB-CB 4.12Å; D36-A39 WeakPolarHBondContact O-CB 3.37Å; D36-A39 PolarHBondContact O-N 3.02Å; D36-A39 VanDerWaalsContact O-N 3.11Å
37S98Very high97.4Very high17 Ų1748.3 Ų48.312%0.11926%0.256CS..THydrogen-bonded Turntrans-63.8-23.7-178.764.40000113.1F21 Q42F21-S37 PolarHBondContact N-OG 3.5Å; F21-S37 PolarHBondContact O-N 2.87Å; F21-S37 PolarHBondContact O-OG 2.93Å; S37-Q42 PolarHBondContact O-NE2 3.42Å
38D97.3Very high97.3Very high78 Ų7848.6 Ų48.642%0.41726%0.259SS..THydrogen-bonded Turntrans-87.9-8.4179.5-69.8-0.1000112.3R13 R20 D36R13-D38 IonicContact CZ-OD1 3.7Å; R13-D38 IonicContact CZ-OD2 3.27Å; R13-D38 IonicContact NH1-OD1 2.84Å; R13-D38 PolarHBondContact NH1-OD1 3.49Å; R13-D38 IonicContact NH1-OD2 3.74Å; R13-D38 PolarHBondContact NH1-OD2 3.46Å; R13-D38 IonicContact NH2-OD1 3.52Å; R13-D38 PolarHBondContact NH2-OD1 2.89Å; R13-D38 IonicContact NH2-OD2 3.64Å; R20-D38 VanDerWaalsContact CD-OD2 3.28Å; R20-D38 WeakPolarHBondContact CD-OD2 3.32Å; R20-D38 IonicContact NE-OD2 3.96Å; D36-D38 PolarHBondContact O-N 3.46Å; D36-D38 PolarHBondContact OD1-N 3.29Å
39A97.1Very high97.3Very high31 Ų3152 Ų5226%0.25628%0.282SS..SBendtrans-70.3145175.600000111.1D36 S41 Q42D36-A39 HydrophobicContact CB-CB 4.12Å; D36-A39 WeakPolarHBondContact O-CB 3.37Å; D36-A39 PolarHBondContact O-N 3.02Å; D36-A39 VanDerWaalsContact O-N 3.11Å; A39-S41 VanDerWaalsContact C-N 3.28Å; A39-S41 PolarHBondContact O-N 2.85Å; A39-Q42 WeakPolarHBondContact O-CG 3.43Å; A39-Q42 PolarHBondContact O-N 3.47Å
40A96.3Very high97.3Very high115 Ų11549.6 Ų49.695%0.9527%0.268SS*.SBendtrans-62.5-33.5-179.600000113.4
41S93.6Very high97.4Very high53 Ų5348.5 Ų48.537%0.37126%0.262SS..SBendtrans-70.1-34.5178.861.30000112.1A39 R43 E45A39-S41 VanDerWaalsContact C-N 3.28Å; A39-S41 PolarHBondContact O-N 2.85Å; S41-R43 WeakPolarHBondContact O-CG 3.06Å; S41-R43 PolarHBondContact O-N 3.11Å; S41-E45 PolarHBondContact OG-OE1 2.93Å
42Q96.1Very high97.4Very high91 Ų9152 Ų5243%0.42528%0.278SS..  trans39.448.5-168.1-58.9-172.5-26.700112F35 S37 A39 K67F35-Q42 VanDerWaalsContact CE2-C 3.49Å; F35-Q42 HydrophobicContact CE2-CB 4.46Å; F35-Q42 WeakPolarHBondContact CE2-O 3.24Å; S37-Q42 PolarHBondContact O-NE2 3.42Å; A39-Q42 WeakPolarHBondContact O-CG 3.43Å; A39-Q42 PolarHBondContact O-N 3.47Å; Q42-K67 WeakPolarHBondContact O-CE 3.42Å; Q42-K67 PolarHBondContact O-NZ 3.38Å; Q42-K67 VanDerWaalsContact O-NZ 3.12Å
43R98Very high97.2Very high150 Ų15057.7 Ų57.757%0.56631%0.305SS*.SBendtrans-123.6157179.2-80.2176.5174.8167.4-1.2110.4F35 S41 E45 T63F35-R43 WeakPolarHBondContact CD2-O 3.32Å; S41-R43 WeakPolarHBondContact O-CG 3.06Å; S41-R43 PolarHBondContact O-N 3.11Å; R43-E45 PolarHBondContact O-N 2.97Å; R43-T63 HydrophobicContact CB-CG2 4.46Å; R43-T63 HydrophobicContact CG-CG2 4.07Å
44M98.4Very high97.2Very high11 Ų1158.2 Ų58.25%0.05431%0.307CS..  trans-68.8127.6166.1-171.165.381.200107.9V33 R34 F35 W59 E62 T63 V66V33-M44 HydrophobicContact CB-CG 4.07Å; V33-M44 HydrophobicContact CB-SD 3.71Å; V33-M44 HydrophobicContact CG1-CG 4.1Å; V33-M44 HydrophobicContact CG1-SD 4.4Å; V33-M44 HydrophobicContact CG2-SD 4.13Å; R34-M44 VanDerWaalsContact C-SD 3.58Å; F35-M44 HydrophobicContact CB-CE 4.33Å; F35-M44 HydrophobicContact CB-SD 3.97Å; M44-W59 HydrophobicContact CB-CE3 4.33Å; M44-W59 HydrophobicContact CG-CE3 4.3Å; M44-W59 HydrophobicContact CG-CZ3 4.05Å; M44-E62 HydrophobicContact CB-CB 4.12Å; M44-E62 HydrophobicContact CE-CB 4.49Å; M44-E62 HydrophobicContact CG-CB 4.1Å; M44-T63 PolarHBondContact N-OG1 3.39Å; M44-V66 HydrophobicContact CE-CB 3.78Å; M44-V66 HydrophobicContact CE-CG1 4.03Å; M44-V66 HydrophobicContact CE-CG2 3.9Å
45E98.2Very high97.1Very high60 Ų6056.6 Ų56.628%0.2831%0.312SS..EExtended strand (participates in β ladder)trans-117.6141.8-175.4-63177172.900111V33 R34 S41 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.13Å; R34-E45 PolarHBondContact N-O 3.35Å; R34-E45 PolarHBondContact O-N 2.95Å; S41-E45 PolarHBondContact OG-OE1 2.93Å; R43-E45 PolarHBondContact O-N 2.97Å; E45-R47 IonicContact OE2-CZ 2.76Å; E45-R47 IonicContact OE2-NH1 3.23Å; E45-R47 PolarHBondContact OE2-NH1 3.49Å; E45-R47 VanDerWaalsContact OE2-NH1 3.16Å; E45-R47 IonicContact OE2-NH2 2.8Å; E45-R47 PolarHBondContact OE2-NH2 3.21Å
46P98.2Very high97Very high43 Ų4361.3 Ų61.328%0.27934%0.343SS..EExtended strand (participates in β ladder)trans-67.1148175.629.4-35.5000111.3F32 I51 E52 W59F32-P46 CarbonylContact O-C 3.53Å; P46-I51 HydrophobicContact CB-CG2 3.58Å; P46-E52 HydrophobicContact CB-CG 3.76Å; P46-E52 HydrophobicContact CG-CG 4.01Å; P46-W59 HydrophobicContact CB-CH2 3.66Å; P46-W59 HydrophobicContact CB-CZ2 4.01Å; P46-W59 HydrophobicContact CG-CH2 4.31Å; P46-W59 HydrophobicContact CG-CZ2 4.47Å
47R97.4Very high97Very high103 Ų10368.7 Ų68.739%0.38938%0.377SS..  trans-130.41.5174-65.4-63.7-178.9-92.82.8113.5Q31 F32 R34 E45Q31-R47 HydrophobicContact CB-CB 4.48Å; Q31-R47 HydrophobicContact CG-CB 4.09Å; Q31-R47 HydrophobicContact CG-CG 4.34Å; Q31-R47 CarbonylContact O-C 3.55Å; F32-R47 PolarHBondContact O-N 2.99Å; R34-R47 HydrophobicContact CB-CG 3.86Å; E45-R47 IonicContact OE2-CZ 2.76Å; E45-R47 IonicContact OE2-NH1 3.23Å; E45-R47 PolarHBondContact OE2-NH1 3.49Å; E45-R47 VanDerWaalsContact OE2-NH1 3.16Å; E45-R47 IonicContact OE2-NH2 2.8Å; E45-R47 PolarHBondContact OE2-NH2 3.21Å
48A96.3Very high97Very high6 Ų668.8 Ų68.85%0.0538%0.375CS..SBendtrans-139.4144173.100000110.7F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.26Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 HydrophobicContact CB-CD2 4.21Å; A48-W50 HydrophobicContact CB-CG 4.35Å; A48-W50 HydrophobicContact CB-CZ2 4.04Å; A48-W50 PolarHBondContact O-N 2.84Å; A48-I51 WeakPolarHBondContact O-CG2 3.5Å; A48-I51 PolarHBondContact O-N 2.69Å
49P96.3Very high97Very high102 Ų10267 Ų6766%0.66236%0.363SS*.G310 helixtrans-58.6-36.3-176.8-26.835.1000113.8I51 E52P49-I51 PolarHBondContact O-N 2.69Å; P49-E52 WeakPolarHBondContact O-CB 3.34Å; P49-E52 PolarHBondContact O-N 3.21Å; P49-E52 VanDerWaalsContact O-N 3.13Å
50W96.5Very high97.1Very high15 Ų1569.7 Ų69.76%0.05737%0.372CS..G310 helixtrans-70.3-14.7-175.955.3-105.3000114.6V27 F32 A48 Q53 Y170 N173 G174 L178V27-W50 HydrophobicContact CG2-CH2 3.99Å; F32-W50 HydrophobicContact CB-CH2 3.16Å; F32-W50 HydrophobicContact CB-CZ2 3.32Å; F32-W50 HydrophobicContact CB-CZ3 4.06Å; F32-W50 HydrophobicContact CD1-CH2 4.15Å; F32-W50 AromaticContact CD2-CH2 3.88Å; F32-W50 HydrophobicContact CD2-CH2 3.88Å; F32-W50 HydrophobicContact CD2-CZ3 4.25Å; F32-W50 AromaticContact CG-CH2 3.5Å; F32-W50 HydrophobicContact CG-CH2 3.5Å; F32-W50 VanDerWaalsContact CG-CH2 3.5Å; F32-W50 HydrophobicContact CG-CZ2 4.12Å; F32-W50 HydrophobicContact CG-CZ3 4.3Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 HydrophobicContact CB-CD2 4.21Å; A48-W50 HydrophobicContact CB-CG 4.35Å; A48-W50 HydrophobicContact CB-CZ2 4.04Å; A48-W50 PolarHBondContact O-N 2.84Å; W50-Q53 WeakPolarHBondContact O-CG 3.49Å; W50-Q53 PolarHBondContact O-NE2 3.17Å; W50-Y170 HydrophobicContact CH2-CG 4.28Å; W50-Y170 AromaticContact CZ3-CD1 3.94Å; W50-Y170 HydrophobicContact CZ3-CD1 3.94Å; W50-Y170 AromaticContact CZ3-CG 3.79Å; W50-Y170 HydrophobicContact CZ3-CG 3.79Å; W50-N173 WeakPolarHBondContact CB-O 3.47Å; W50-G174 VanDerWaalsContact CG-CA 3.49Å; W50-L178 HydrophobicContact CD2-CD1 4.4Å; W50-L178 HydrophobicContact CH2-CD1 4.26Å; W50-L178 HydrophobicContact CZ2-CD1 3.8Å; W50-L178 HydrophobicContact CZ2-CD2 4.02Å; W50-L178 HydrophobicContact CZ2-CG 4.3Å
51I97.9Very high97.2Very high0 Ų064.8 Ų64.80%033%0.333CS..G310 helixtrans-88.7-19.6173.4-159.372.7000111.6F32 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CD1 4Å; F32-I51 HydrophobicContact CD2-CG1 4.07Å; F32-I51 HydrophobicContact CE2-CD1 4.4Å; F32-I51 WeakPolarHBondContact O-CG2 3.49Å; P46-I51 HydrophobicContact CB-CG2 3.58Å; A48-I51 WeakPolarHBondContact O-CG2 3.5Å; A48-I51 PolarHBondContact O-N 2.69Å; P49-I51 PolarHBondContact O-N 2.69Å; I51-Q53 PolarHBondContact O-N 2.98Å; I51-Q53 VanDerWaalsContact O-N 3.13Å; I51-E54 HydrophobicContact CD1-CG 3.75Å; I51-E54 HydrophobicContact CG1-CG 4.14Å; I51-E54 WeakPolarHBondContact O-CB 3.35Å; I51-E54 WeakPolarHBondContact O-CG 3.42Å; I51-E54 PolarHBondContact O-N 3.17Å; I51-Y58 HydrophobicContact CD1-CE1 4.34Å; I51-Y58 HydrophobicContact CG1-CE1 4.19Å; I51-W59 HydrophobicContact CB-CH2 4.46Å; I51-W59 HydrophobicContact CG1-CH2 3.88Å; I51-W59 HydrophobicContact CG1-CZ2 4.09Å; I51-W59 HydrophobicContact CG2-CH2 3.75Å; I51-W59 HydrophobicContact CG2-CZ2 4.07Å; I51-W59 WeakPolarHBondContact O-CZ2 3.4Å; I51-Y170 HydrophobicContact CD1-CD1 3.66Å; I51-Y170 HydrophobicContact CD1-CE1 3.32Å
52E96.7Very high97.4Very high123 Ų12363.1 Ų63.158%0.57532%0.319SS*.THydrogen-bonded Turntrans-64.1-21.7-176.4-63.9-177.8-176.800113.2P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.76Å; P46-E52 HydrophobicContact CG-CG 4.01Å; P49-E52 WeakPolarHBondContact O-CB 3.34Å; P49-E52 PolarHBondContact O-N 3.21Å; P49-E52 VanDerWaalsContact O-N 3.13Å; E52-E54 PolarHBondContact O-N 3.05Å
53Q95.6Very high97.5Very high119 Ų11959.4 Ų59.456%0.55630%0.303SS*.THydrogen-bonded Turntrans-70.8-13.6174.770-172.6-32.100114.1W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.49Å; W50-Q53 PolarHBondContact O-NE2 3.17Å; I51-Q53 PolarHBondContact O-N 2.98Å; I51-Q53 VanDerWaalsContact O-N 3.13Å; Q53-N173 PolarHBondContact NE2-ND2 3.22Å
54E97.3Very high97.5Very high12 Ų1260.5 Ų60.56%0.05631%0.307CS..SBendtrans-64.7137.8175.7-68.1-63164.600111I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.75Å; I51-E54 HydrophobicContact CG1-CG 4.14Å; I51-E54 WeakPolarHBondContact O-CB 3.35Å; I51-E54 WeakPolarHBondContact O-CG 3.42Å; I51-E54 PolarHBondContact O-N 3.17Å; E52-E54 PolarHBondContact O-N 3.05Å; E54-Y58 HydrophobicContact CB-CD1 3.53Å; E54-Y58 HydrophobicContact CB-CD2 4.42Å; E54-Y58 HydrophobicContact CB-CE1 4.14Å; E54-Y58 HydrophobicContact CB-CG 3.71Å; E54-Y58 HydrophobicContact CG-CD1 4.02Å; E54-Y58 HydrophobicContact CG-CD2 4.32Å; E54-Y58 HydrophobicContact CG-CE1 4.21Å; E54-Y58 HydrophobicContact CG-CE2 4.48Å; E54-Y58 HydrophobicContact CG-CG 4.08Å; E54-W59 PolarHBondContact O-NE1 3Å; E54-R169 IonicContact OE1-CZ 3.68Å; E54-R169 IonicContact OE1-NE 3.37Å; E54-R169 PolarHBondContact OE1-NE 2.93Å; E54-R169 IonicContact OE1-NH2 3.16Å; E54-R169 PolarHBondContact OE1-NH2 2.97Å; E54-R169 IonicContact OE2-CZ 3.5Å; E54-R169 IonicContact OE2-NE 3.91Å; E54-R169 IonicContact OE2-NH2 2.72Å; E54-R169 PolarHBondContact OE2-NH2 3.45Å; E54-N173 PolarHBondContact OE1-ND2 2.87Å; E54-N173 VanDerWaalsContact OE1-ND2 3.14Å
55G96.9Very high97.5Very high36 Ų3665 Ų6537%0.37133%0.326SS..  trans-72.8169.7-174.100000114.1E57 Y58 W59G55-E57 PolarHBondContact O-N 2.88Å; G55-E57 VanDerWaalsContact O-N 3.16Å; G55-Y58 WeakPolarHBondContact O-CB 3.18Å; G55-Y58 PolarHBondContact O-N 3.44Å; G55-W59 VanDerWaalsContact O-CD1 3.31Å; G55-W59 PolarHBondContact O-N 2.91Å
56P97.3Very high97.5Very high103 Ų10362.3 Ų62.367%0.66931%0.314SS*.Hα-helixtrans-55.2-35.9-179.4-26.334.8000114.2Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 3.24Å; P56-W59 PolarHBondContact O-N 3.36Å; P56-D60 WeakPolarHBondContact O-CB 3.45Å; P56-D60 PolarHBondContact O-N 3.02Å
57E97.8Very high97.5Very high175 Ų17564.2 Ų64.282%0.81832%0.318SS*.Hα-helixtrans-61-36178.8-64.2-175.5175.400112.7G55 G61G55-E57 PolarHBondContact O-N 2.88Å; G55-E57 VanDerWaalsContact O-N 3.16Å; E57-G61 PolarHBondContact O-N 3.36Å
58Y97.8Very high97.5Very high19 Ų1962 Ų628%0.07532%0.321CS..Hα-helixtrans-63.6-52.8174.3172.1-92.5000110.3I51 E54 G55 P56 D60 G61 E62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.34Å; I51-Y58 HydrophobicContact CG1-CE1 4.19Å; E54-Y58 HydrophobicContact CB-CD1 3.53Å; E54-Y58 HydrophobicContact CB-CD2 4.42Å; E54-Y58 HydrophobicContact CB-CE1 4.14Å; E54-Y58 HydrophobicContact CB-CG 3.71Å; E54-Y58 HydrophobicContact CG-CD1 4.02Å; E54-Y58 HydrophobicContact CG-CD2 4.32Å; E54-Y58 HydrophobicContact CG-CE1 4.21Å; E54-Y58 HydrophobicContact CG-CE2 4.48Å; E54-Y58 HydrophobicContact CG-CG 4.08Å; G55-Y58 WeakPolarHBondContact O-CB 3.18Å; G55-Y58 PolarHBondContact O-N 3.44Å; P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 3.24Å; Y58-D60 PolarHBondContact O-N 2.76Å; Y58-G61 PolarHBondContact O-N 2.94Å; Y58-G61 VanDerWaalsContact O-N 3.16Å; Y58-E62 HydrophobicContact CD1-CG 4.32Å; Y58-E62 HydrophobicContact CD2-CG 4.26Å; Y58-E62 HydrophobicContact CE1-CG 3.92Å; Y58-E62 HydrophobicContact CE2-CG 3.88Å; Y58-E62 HydrophobicContact CG-CG 4.47Å; Y58-E62 WeakPolarHBondContact O-CG 3.43Å; Y58-E62 PolarHBondContact O-N 3.32Å; Y58-W166 AromaticContact CD2-CH2 3.57Å; Y58-W166 HydrophobicContact CD2-CH2 3.57Å; Y58-W166 HydrophobicContact CD2-CZ2 4.36Å; Y58-W166 AromaticContact CD2-CZ3 3.79Å; Y58-W166 HydrophobicContact CD2-CZ3 3.79Å; Y58-W166 HydrophobicContact CE2-CE3 4.26Å; Y58-W166 AromaticContact CE2-CH2 3.83Å; Y58-W166 HydrophobicContact CE2-CH2 3.83Å; Y58-W166 HydrophobicContact CE2-CZ2 4.49Å; Y58-W166 AromaticContact CE2-CZ3 3.68Å; Y58-W166 HydrophobicContact CE2-CZ3 3.68Å; Y58-Y170 HydrophobicContact CE2-CE1 4.37Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.47Å; Y58-Y170 PolarHBondContact OH-OH 2.89Å
59W98.4Very high97.6Very high41 Ų4164.1 Ų64.116%0.15533%0.33CS..Hα-helixtrans-64.1-40-177-66.1112.3000113V33 M44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.11Å; V33-W59 HydrophobicContact CG1-CZ3 3.94Å; M44-W59 HydrophobicContact CB-CE3 4.33Å; M44-W59 HydrophobicContact CG-CE3 4.3Å; M44-W59 HydrophobicContact CG-CZ3 4.05Å; P46-W59 HydrophobicContact CB-CH2 3.66Å; P46-W59 HydrophobicContact CB-CZ2 4.01Å; P46-W59 HydrophobicContact CG-CH2 4.31Å; P46-W59 HydrophobicContact CG-CZ2 4.47Å; I51-W59 HydrophobicContact CB-CH2 4.46Å; I51-W59 HydrophobicContact CG1-CH2 3.88Å; I51-W59 HydrophobicContact CG1-CZ2 4.09Å; I51-W59 HydrophobicContact CG2-CH2 3.75Å; I51-W59 HydrophobicContact CG2-CZ2 4.07Å; I51-W59 WeakPolarHBondContact O-CZ2 3.4Å; E54-W59 PolarHBondContact O-NE1 3Å; G55-W59 VanDerWaalsContact O-CD1 3.31Å; G55-W59 PolarHBondContact O-N 2.91Å; P56-W59 PolarHBondContact O-N 3.36Å; W59-T63 WeakPolarHBondContact O-CB 3.31Å; W59-T63 PolarHBondContact O-N 2.92Å; W59-T63 PolarHBondContact O-OG1 2.77Å
60D98.3Very high97.7Very high86 Ų8660 Ų6046%0.4630%0.304SS..Hα-helixtrans-67.2-39.8174.4-76.8-19.5000111.4P56 Y58 R64P56-D60 WeakPolarHBondContact O-CB 3.45Å; P56-D60 PolarHBondContact O-N 3.02Å; Y58-D60 PolarHBondContact O-N 2.76Å; D60-R64 WeakPolarHBondContact O-CB 3.28Å; D60-R64 PolarHBondContact O-N 2.79Å
61G98.2Very high97.7Very high12 Ų1264.3 Ų64.312%0.12433%0.325CS..Hα-helixtrans-60.8-53.3174.500000112.5E57 Y58 R64 K65E57-G61 PolarHBondContact O-N 3.36Å; Y58-G61 PolarHBondContact O-N 2.94Å; Y58-G61 VanDerWaalsContact O-N 3.16Å; G61-R64 PolarHBondContact O-N 2.95Å; G61-K65 WeakPolarHBondContact O-CG 3.39Å; G61-K65 PolarHBondContact O-N 2.95Å
62E98.1Very high97.7Very high18 Ų1867.3 Ų67.38%0.08434%0.343CS..Hα-helixtrans-64.4-40.3179.1-69-52111.700111.7M44 Y58 R64 K65 V66M44-E62 HydrophobicContact CB-CB 4.12Å; M44-E62 HydrophobicContact CE-CB 4.49Å; M44-E62 HydrophobicContact CG-CB 4.1Å; Y58-E62 HydrophobicContact CD1-CG 4.32Å; Y58-E62 HydrophobicContact CD2-CG 4.26Å; Y58-E62 HydrophobicContact CE1-CG 3.92Å; Y58-E62 HydrophobicContact CE2-CG 3.88Å; Y58-E62 HydrophobicContact CG-CG 4.47Å; Y58-E62 WeakPolarHBondContact O-CG 3.43Å; Y58-E62 PolarHBondContact O-N 3.32Å; E62-R64 VanDerWaalsContact C-N 3.33Å; E62-R64 PolarHBondContact O-N 2.93Å; E62-K65 PolarHBondContact O-N 3.22Å; E62-K65 IonicContact OE1-NZ 3.43Å; E62-K65 PolarHBondContact OE1-NZ 3.3Å; E62-V66 WeakPolarHBondContact O-CB 3.48Å; E62-V66 WeakPolarHBondContact O-CG1 3.35Å; E62-V66 PolarHBondContact O-N 3.09Å
63T98.6Very high97.7Very high14 Ų1461.5 Ų61.59%0.08632%0.316CS..Hα-helixtrans-60.8-41.6174-64.10000111.8R43 M44 W59 V66 K67R43-T63 HydrophobicContact CB-CG2 4.46Å; R43-T63 HydrophobicContact CG-CG2 4.07Å; M44-T63 PolarHBondContact N-OG1 3.39Å; W59-T63 WeakPolarHBondContact O-CB 3.31Å; W59-T63 PolarHBondContact O-N 2.92Å; W59-T63 PolarHBondContact O-OG1 2.77Å; T63-V66 WeakPolarHBondContact O-CG1 3.48Å; T63-K67 HydrophobicContact CG2-CD 4.18Å; T63-K67 WeakPolarHBondContact O-CB 3.36Å; T63-K67 WeakPolarHBondContact O-CG 3.23Å; T63-K67 PolarHBondContact O-N 2.89Å; T63-K67 VanDerWaalsContact O-N 3.1Å
64R98.4Very high97.8Very high173 Ų17361 Ų6165%0.65331%0.309SS*.Hα-helixtrans-66.1-45.7177.5-169.3-174.2-57.4109.43.3111.4D60 G61 E62 K67 A68D60-R64 WeakPolarHBondContact O-CB 3.28Å; D60-R64 PolarHBondContact O-N 2.79Å; G61-R64 PolarHBondContact O-N 2.95Å; E62-R64 VanDerWaalsContact C-N 3.33Å; E62-R64 PolarHBondContact O-N 2.93Å; R64-K67 PolarHBondContact O-N 2.73Å; R64-A68 PolarHBondContact O-N 3.29Å
65K97.7Very high97.8Very high105 Ų10564.9 Ų64.946%0.45733%0.333SS..Hα-helixtrans-61.4-47.6178.6-69.7172.6-165.3164.30111.7G61 E62 K67 A68 H69G61-K65 WeakPolarHBondContact O-CG 3.39Å; G61-K65 PolarHBondContact O-N 2.95Å; E62-K65 PolarHBondContact O-N 3.22Å; E62-K65 IonicContact OE1-NZ 3.43Å; E62-K65 PolarHBondContact OE1-NZ 3.3Å; K65-K67 VanDerWaalsContact C-N 3.33Å; K65-K67 PolarHBondContact O-N 3.04Å; K65-A68 WeakPolarHBondContact O-CB 3.12Å; K65-A68 PolarHBondContact O-N 2.87Å; K65-H69 PolarHBondContact O-CD2 2.93Å; K65-H69 VanDerWaalsContact O-CD2 3.31Å; K65-H69 PolarHBondContact O-N 3.39Å
66V98.1Very high97.8Very high3 Ų365 Ų652%0.01833%0.326CS..Hα-helixtrans-67-34.9-178.575.90000112F21 A23 F35 M44 E62 T63 H69 S70F21-V66 HydrophobicContact CE1-CG2 3.7Å; A23-V66 HydrophobicContact CB-CG2 3.63Å; F35-V66 HydrophobicContact CB-CG1 4.15Å; F35-V66 HydrophobicContact CB-CG2 3.79Å; F35-V66 HydrophobicContact CD1-CG1 4.34Å; F35-V66 HydrophobicContact CD1-CG2 3.91Å; F35-V66 HydrophobicContact CD2-CG1 3.38Å; F35-V66 HydrophobicContact CD2-CG2 4.31Å; F35-V66 HydrophobicContact CE2-CG1 3.76Å; F35-V66 HydrophobicContact CG-CB 4.42Å; F35-V66 HydrophobicContact CG-CG1 3.7Å; F35-V66 HydrophobicContact CG-CG2 3.75Å; F35-V66 HydrophobicContact CZ-CG1 4.41Å; M44-V66 HydrophobicContact CE-CB 3.78Å; M44-V66 HydrophobicContact CE-CG1 4.03Å; M44-V66 HydrophobicContact CE-CG2 3.9Å; E62-V66 WeakPolarHBondContact O-CB 3.48Å; E62-V66 WeakPolarHBondContact O-CG1 3.35Å; E62-V66 PolarHBondContact O-N 3.09Å; T63-V66 WeakPolarHBondContact O-CG1 3.48Å; V66-H69 PolarHBondContact O-N 3.05Å; V66-S70 PolarHBondContact O-N 3.17Å
67K98.2Very high97.8Very high84 Ų8460.5 Ų60.537%0.36530%0.296SS..Hα-helixtrans-65.3-40.5171.6-78.5-178.6169.1175.30112.4F35 Q42 T63 R64 K65 S70 Q71F35-K67 HydrophobicContact CE2-CG 4.22Å; F35-K67 HydrophobicContact CZ-CG 4.18Å; Q42-K67 WeakPolarHBondContact O-CE 3.42Å; Q42-K67 PolarHBondContact O-NZ 3.38Å; Q42-K67 VanDerWaalsContact O-NZ 3.12Å; T63-K67 HydrophobicContact CG2-CD 4.18Å; T63-K67 WeakPolarHBondContact O-CB 3.36Å; T63-K67 WeakPolarHBondContact O-CG 3.23Å; T63-K67 PolarHBondContact O-N 2.89Å; T63-K67 VanDerWaalsContact O-N 3.1Å; R64-K67 PolarHBondContact O-N 2.73Å; K65-K67 VanDerWaalsContact C-N 3.33Å; K65-K67 PolarHBondContact O-N 3.04Å; K67-S70 WeakPolarHBondContact O-CB 2.95Å; K67-S70 PolarHBondContact O-N 3Å; K67-Q71 PolarHBondContact O-N 2.81Å; K67-Q71 VanDerWaalsContact O-N 3.15Å
68A98.1Very high97.7Very high55 Ų5553.9 Ų53.946%0.45527%0.274SS..Hα-helixtrans-61.7-44.9173.600000111.2R64 K65 S70 Q71 T72R64-A68 PolarHBondContact O-N 3.29Å; K65-A68 WeakPolarHBondContact O-CB 3.12Å; K65-A68 PolarHBondContact O-N 2.87Å; A68-S70 VanDerWaalsContact C-N 3.34Å; A68-S70 PolarHBondContact O-N 2.86Å; A68-Q71 PolarHBondContact O-N 2.97Å; A68-Q71 VanDerWaalsContact O-N 3.15Å; A68-T72 PolarHBondContact O-N 2.84Å; A68-T72 PolarHBondContact O-OG1 2.9Å
69H97.6Very high97.7Very high51 Ų5155.5 Ų55.524%0.23629%0.286CS..Hα-helixtrans-61.9-38174.9-74.4-47.8000113.3F8 F21 K65 V66 Q71 T72 H73 R96F8-H69 HydrophobicContact CD2-CB 4.17Å; F8-H69 HydrophobicContact CE2-CB 3.9Å; F8-H69 AromaticContact CE2-CD2 3.49Å; F8-H69 VanDerWaalsContact CE2-CD2 3.49Å; F8-H69 WeakPolarHBondContact CE2-CD2 3.42Å; F8-H69 AromaticContact CE2-CG 3.66Å; F21-H69 HydrophobicContact CZ-CB 4.16Å; K65-H69 PolarHBondContact O-CD2 2.93Å; K65-H69 VanDerWaalsContact O-CD2 3.31Å; K65-H69 PolarHBondContact O-N 3.39Å; V66-H69 PolarHBondContact O-N 3.05Å; H69-Q71 VanDerWaalsContact C-N 3.31Å; H69-Q71 PolarHBondContact O-N 3.21Å; H69-T72 PolarHBondContact O-N 2.62Å; H69-H73 PolarHBondContact O-CD2 2.8Å; H69-H73 VanDerWaalsContact O-CD2 3.22Å; H69-H73 PolarHBondContact O-N 3.28Å; H69-R96 PolarHBondContact CE1-NH1 2.83Å; H69-R96 PolarHBondContact ND1-NH1 2.72Å
70S97.7Very high97.7Very high17 Ų1754 Ų5412%0.11928%0.281CS..Hα-helixtrans-58.6-41.8173.4175.30000112F21 V66 K67 A68 R74F21-S70 WeakPolarHBondContact CB-OG 3.31Å; V66-S70 PolarHBondContact O-N 3.17Å; K67-S70 WeakPolarHBondContact O-CB 2.95Å; K67-S70 PolarHBondContact O-N 3Å; A68-S70 VanDerWaalsContact C-N 3.34Å; A68-S70 PolarHBondContact O-N 2.86Å; S70-R74 PolarHBondContact O-N 3.16Å
71Q97.6Very high97.6Very high105 Ų10553.4 Ų53.449%0.49127%0.273SS..Hα-helixtrans-68.6-40.6175.1-62-53.1-4300112.4K67 A68 H69 H73 R74 V75K67-Q71 PolarHBondContact O-N 2.81Å; K67-Q71 VanDerWaalsContact O-N 3.15Å; A68-Q71 PolarHBondContact O-N 2.97Å; A68-Q71 VanDerWaalsContact O-N 3.15Å; H69-Q71 VanDerWaalsContact C-N 3.31Å; H69-Q71 PolarHBondContact O-N 3.21Å; Q71-H73 PolarHBondContact O-N 3.14Å; Q71-R74 WeakPolarHBondContact O-CB 3.32Å; Q71-R74 PolarHBondContact O-N 3.19Å; Q71-V75 PolarHBondContact O-N 3.06Å; Q71-V75 VanDerWaalsContact O-N 3.12Å
72T97.2Very high97.5Very high63 Ų6354.9 Ų54.939%0.38729%0.288SS..Hα-helixtrans-57.7-49.7173.5-55.50000111.1A68 H69 R74 V75 D76A68-T72 PolarHBondContact O-N 2.84Å; A68-T72 PolarHBondContact O-OG1 2.9Å; H69-T72 PolarHBondContact O-N 2.62Å; T72-R74 VanDerWaalsContact C-N 3.27Å; T72-R74 PolarHBondContact O-N 2.71Å; T72-V75 WeakPolarHBondContact O-CB 3.18Å; T72-V75 PolarHBondContact O-N 2.87Å; T72-D76 PolarHBondContact O-N 2.9Å
73H97.6Very high97.4Very high0 Ų057.1 Ų57.10%030%0.296CS..Hα-helixtrans-63-31.7179.2-83-124.9000113F8 F21 H69 Q71 D76 L77F8-H73 AromaticContact CD2-NE2 3.97Å; F21-H73 HydrophobicContact CD2-CB 4.05Å; F21-H73 HydrophobicContact CE2-CB 4.04Å; F21-H73 AromaticContact CE2-CD2 3.88Å; F21-H73 AromaticContact CE2-CG 3.65Å; F21-H73 AromaticContact CE2-ND1 3.78Å; H69-H73 PolarHBondContact O-CD2 2.8Å; H69-H73 VanDerWaalsContact O-CD2 3.22Å; H69-H73 PolarHBondContact O-N 3.28Å; Q71-H73 PolarHBondContact O-N 3.14Å; H73-D76 PolarHBondContact O-N 3.06Å; H73-L77 WeakPolarHBondContact O-CG 3.46Å; H73-L77 PolarHBondContact O-N 3.31Å
74R97.1Very high97.4Very high110 Ų11059.6 Ų59.642%0.41530%0.304SS..Hα-helixtrans-62.6-45.2172.2173.3-169.4167.3152.318.2111.2E18 P19 S70 Q71 T72 D76 G78E18-R74 IonicContact OE1-CZ 3.39Å; E18-R74 IonicContact OE1-NH1 3.04Å; E18-R74 PolarHBondContact OE1-NH1 2.88Å; E18-R74 IonicContact OE1-NH2 3.24Å; E18-R74 PolarHBondContact OE1-NH2 3.4Å; E18-R74 WeakPolarHBondContact OE2-CD 3.33Å; E18-R74 IonicContact OE2-CZ 3.84Å; E18-R74 IonicContact OE2-NE 2.71Å; E18-R74 PolarHBondContact OE2-NE 3.48Å; E18-R74 IonicContact OE2-NH1 3.03Å; E18-R74 PolarHBondContact OE2-NH1 2.91Å; E18-R74 IonicContact OE2-NH2 3.84Å; E18-R74 PolarHBondContact OE2-NH2 2.89Å; P19-R74 HydrophobicContact CG-CG 4.34Å; S70-R74 PolarHBondContact O-N 3.16Å; Q71-R74 WeakPolarHBondContact O-CB 3.32Å; Q71-R74 PolarHBondContact O-N 3.19Å; T72-R74 VanDerWaalsContact C-N 3.27Å; T72-R74 PolarHBondContact O-N 2.71Å; R74-D76 VanDerWaalsContact C-N 3.35Å; R74-G78 PolarHBondContact O-N 3.19Å
75V97.2Very high97.3Very high92 Ų9258.5 Ų58.556%0.55831%0.311SS*.Hα-helixtrans-66.1-40.3176.5175.80000110.8Q71 T72 L77 G78 T79Q71-V75 PolarHBondContact O-N 3.06Å; Q71-V75 VanDerWaalsContact O-N 3.12Å; T72-V75 WeakPolarHBondContact O-CB 3.18Å; T72-V75 PolarHBondContact O-N 2.87Å; V75-L77 PolarHBondContact O-N 2.86Å; V75-G78 PolarHBondContact O-N 2.74Å; V75-T79 WeakPolarHBondContact O-CB 3.41Å; V75-T79 PolarHBondContact O-N 3.27Å; V75-T79 PolarHBondContact O-OG1 2.9Å
76D97.4Very high97.2Very high40 Ų4056.4 Ų56.421%0.21430%0.303CS..Hα-helixtrans-62-43.1178.2-64.7-23.8000111.5T72 H73 R74 G78 T79 L80T72-D76 PolarHBondContact O-N 2.9Å; H73-D76 PolarHBondContact O-N 3.06Å; R74-D76 VanDerWaalsContact C-N 3.35Å; D76-G78 VanDerWaalsContact C-N 3.3Å; D76-G78 PolarHBondContact O-N 2.98Å; D76-T79 PolarHBondContact O-N 2.79Å; D76-L80 HydrophobicContact CB-CD1 4.46Å; D76-L80 WeakPolarHBondContact O-CB 3.24Å; D76-L80 VanDerWaalsContact O-CG 3.25Å; D76-L80 WeakPolarHBondContact O-CG 3.45Å; D76-L80 PolarHBondContact O-N 3.03Å
77L97.6Very high97Very high8 Ų860 Ų604%0.04233%0.329CS..Hα-helixtrans-55.4-44175.3-81.5164.9000112.2S10 P19 H73 V75 R81 H92 V94 Y117S10-L77 VanDerWaalsContact OG-CD1 3.29Å; S10-L77 WeakPolarHBondContact OG-CD1 3.31Å; P19-L77 HydrophobicContact CB-CD1 3.58Å; P19-L77 HydrophobicContact CG-CD1 3.66Å; H73-L77 WeakPolarHBondContact O-CG 3.46Å; H73-L77 PolarHBondContact O-N 3.31Å; V75-L77 PolarHBondContact O-N 2.86Å; L77-R81 VanDerWaalsContact O-CB 3.26Å; L77-R81 WeakPolarHBondContact O-CB 3.39Å; L77-R81 PolarHBondContact O-N 2.87Å; L77-R81 VanDerWaalsContact O-N 3.16Å; L77-H92 HydrophobicContact CD2-CB 3.99Å; L77-H92 WeakPolarHBondContact CD2-O 3.28Å; L77-V94 HydrophobicContact CD2-CB 4.33Å; L77-V94 HydrophobicContact CD2-CG2 3.65Å; L77-V94 HydrophobicContact CG-CB 4.41Å; L77-V94 HydrophobicContact CG-CG2 3.83Å; L77-Y117 HydrophobicContact CD2-CE2 4.42Å
78G95.8Very high96.6Very high36 Ų3662.5 Ų62.537%0.37134%0.342SS..Hα-helixtrans-69-41177.100000112.9R74 V75 D76 G82R74-G78 PolarHBondContact O-N 3.19Å; V75-G78 PolarHBondContact O-N 2.74Å; D76-G78 VanDerWaalsContact C-N 3.3Å; D76-G78 PolarHBondContact O-N 2.98Å; G78-G82 PolarHBondContact O-N 3.49Å; G78-G82 VanDerWaalsContact O-N 3.16Å
79T97Very high96.3Very high53 Ų5364.1 Ų64.133%0.32536%0.355SS..Hα-helixtrans-65.5-48.1179.9-58.60000111.5V75 D76 G82 Y83V75-T79 WeakPolarHBondContact O-CB 3.41Å; V75-T79 PolarHBondContact O-N 3.27Å; V75-T79 PolarHBondContact O-OG1 2.9Å; D76-T79 PolarHBondContact O-N 2.79Å; T79-G82 WeakPolarHBondContact O-CA 3.3Å; T79-G82 PolarHBondContact O-N 3Å; T79-G82 VanDerWaalsContact O-N 3.16Å; T79-Y83 HydrophobicContact CG2-CD1 4.43Å; T79-Y83 HydrophobicContact CG2-CD2 4.37Å; T79-Y83 HydrophobicContact CG2-CE1 3.87Å; T79-Y83 HydrophobicContact CG2-CE2 3.8Å; T79-Y83 PolarHBondContact O-N 2.92Å
80L97.6Very high96.1Very high10 Ų1062.7 Ų62.75%0.05235%0.354CS..Hα-helixtrans-65.2-44.4-179.6-68.4168.2000111.1D76 G82 Y83 Y84 V94 Y117 Y122D76-L80 HydrophobicContact CB-CD1 4.46Å; D76-L80 WeakPolarHBondContact O-CB 3.24Å; D76-L80 VanDerWaalsContact O-CG 3.25Å; D76-L80 WeakPolarHBondContact O-CG 3.45Å; D76-L80 PolarHBondContact O-N 3.03Å; L80-G82 PolarHBondContact O-N 3.43Å; L80-Y83 HydrophobicContact CD2-CD2 4.35Å; L80-Y83 PolarHBondContact O-N 2.03Å; L80-Y84 HydrophobicContact CD2-CE2 4.31Å; L80-Y84 WeakPolarHBondContact O-CD2 3.44Å; L80-Y84 PolarHBondContact O-N 2.9Å; L80-V94 HydrophobicContact CD1-CG2 3.55Å; L80-Y117 HydrophobicContact CB-CD1 4.33Å; L80-Y117 HydrophobicContact CB-CD2 4.06Å; L80-Y117 HydrophobicContact CB-CE1 4.04Å; L80-Y117 HydrophobicContact CB-CE2 3.76Å; L80-Y117 HydrophobicContact CB-CG 4.32Å; L80-Y117 HydrophobicContact CD1-CD2 3.59Å; L80-Y117 HydrophobicContact CD1-CE2 4.01Å; L80-Y117 HydrophobicContact CD1-CG 3.99Å; L80-Y117 HydrophobicContact CG-CD2 4.42Å; L80-Y122 HydrophobicContact CD2-CD1 4.26Å; L80-Y122 HydrophobicContact CD2-CD2 4.19Å; L80-Y122 HydrophobicContact CD2-CE1 3.64Å; L80-Y122 HydrophobicContact CD2-CE2 3.54Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.28Å
81R96.5Very high96.1Very high73 Ų7365.4 Ų65.428%0.27537%0.373SS..Hα-helixtrans-52.5-42.1172.7-174.5-171.168.717810.7111.6L77 N85 Q86 E88 Y117L77-R81 VanDerWaalsContact O-CB 3.26Å; L77-R81 WeakPolarHBondContact O-CB 3.39Å; L77-R81 PolarHBondContact O-N 2.87Å; L77-R81 VanDerWaalsContact O-N 3.16Å; R81-N85 PolarHBondContact O-N 2.94Å; R81-N85 VanDerWaalsContact O-N 3.16Å; R81-Q86 HydrophobicContact CG-CB 3.83Å; R81-Q86 WeakPolarHBondContact CG-O 3.38Å; R81-Q86 PolarHBondContact O-N 3Å; R81-E88 IonicContact CZ-OE1 2.91Å; R81-E88 IonicContact NH1-OE1 3.28Å; R81-E88 PolarHBondContact NH1-OE1 3.22Å; R81-E88 IonicContact NH2-OE1 3Å; R81-E88 PolarHBondContact NH2-OE1 3.23Å; R81-Y117 PolarHBondContact N-OH 2.97Å
82G96.2Very high96.1Very high43 Ų4361.1 Ų61.144%0.44335%0.353SS..Hα-helixtrans-64.4-48.2174.800000113.1G78 T79 L80 Y84 N85G78-G82 PolarHBondContact O-N 3.49Å; G78-G82 VanDerWaalsContact O-N 3.16Å; T79-G82 WeakPolarHBondContact O-CA 3.3Å; T79-G82 PolarHBondContact O-N 3Å; T79-G82 VanDerWaalsContact O-N 3.16Å; L80-G82 PolarHBondContact O-N 3.43Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 2.88Å; G82-N85 PolarHBondContact O-N 2.85Å; G82-N85 VanDerWaalsContact O-N 3.09Å; G82-N85 PolarHBondContact O-OD1 3.33Å
83Y97.3Very high96.1Very high65 Ų6559.8 Ų59.826%0.25535%0.345SS..Hα-helixtrans-60-34.5178.8-68.5-10.2000113.3T79 L80 T141 K145T79-Y83 HydrophobicContact CG2-CD1 4.43Å; T79-Y83 HydrophobicContact CG2-CD2 4.37Å; T79-Y83 HydrophobicContact CG2-CE1 3.87Å; T79-Y83 HydrophobicContact CG2-CE2 3.8Å; T79-Y83 PolarHBondContact O-N 2.92Å; L80-Y83 HydrophobicContact CD2-CD2 4.35Å; L80-Y83 PolarHBondContact O-N 2.03Å; Y83-T141 HydrophobicContact CE1-CG2 4.18Å; Y83-T141 HydrophobicContact CE2-CG2 4.09Å; Y83-K145 PolarHBondContact OH-NZ 2.98Å
84Y97.2Very high96.2Very high65 Ų6559.9 Ų59.926%0.25535%0.345SS..THydrogen-bonded Turntrans-92.14.7178.2-67-72.6000114L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.31Å; L80-Y84 WeakPolarHBondContact O-CD2 3.44Å; L80-Y84 PolarHBondContact O-N 2.9Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 2.88Å; Y84-Q86 PolarHBondContact O-N 2.81Å; Y84-Y117 AromaticContact CD2-CD1 3.68Å; Y84-Y117 HydrophobicContact CD2-CD1 3.68Å; Y84-Y117 AromaticContact CD2-CE1 3.46Å; Y84-Y117 HydrophobicContact CD2-CE1 3.46Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.46Å; Y84-Y117 AromaticContact CE2-CD1 3.44Å; Y84-Y117 HydrophobicContact CE2-CD1 3.44Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.44Å; Y84-Y117 AromaticContact CE2-CE1 3.76Å; Y84-Y117 HydrophobicContact CE2-CE1 3.76Å; Y84-Y117 HydrophobicContact CE2-CG 4.4Å; Y84-Y117 HydrophobicContact CG-CE1 4.4Å; Y84-Y122 HydrophobicContact CE2-CE2 4.29Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.28Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.33Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.03Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.31Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.27Å; Y84-D136 PolarHBondContact OH-OD1 2.83Å; Y84-D136 PolarHBondContact OH-OD2 3.44Å; Y84-A138 HydrophobicContact CD1-CB 4.09Å; Y84-A138 HydrophobicContact CE1-CB 3.52Å; Y84-A138 HydrophobicContact CE2-CB 4.02Å; Y84-A138 VanDerWaalsContact CZ-CB 3.48Å
85N96.2Very high96.3Very high150 Ų15058.2 Ų58.280%0.80234%0.342SS*.THydrogen-bonded Turntrans51.940.1-177.7-58.3-55000113.4R81 G82R81-N85 PolarHBondContact O-N 2.94Å; R81-N85 VanDerWaalsContact O-N 3.16Å; G82-N85 PolarHBondContact O-N 2.85Å; G82-N85 VanDerWaalsContact O-N 3.09Å; G82-N85 PolarHBondContact O-OD1 3.33Å
86Q96.4Very high96.3Very high61 Ų6155 Ų5529%0.28532%0.32SS..  trans-89151.2-176.4-70.2166.6-35.300112.1R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.83Å; R81-Q86 WeakPolarHBondContact CG-O 3.38Å; R81-Q86 PolarHBondContact O-N 3Å; Y84-Q86 PolarHBondContact O-N 2.81Å; Q86-H92 PolarHBondContact NE2-CE1 2.93Å; Q86-H92 PolarHBondContact OE1-CE1 2.98Å; Q86-H92 PolarHBondContact OE1-ND1 2.61Å; Q86-Y117 PolarHBondContact OE1-OH 3.32Å; Q86-D118 PolarHBondContact NE2-OD2 3.32Å
87S93.9Very high96.4Very high80 Ų8054.1 Ų54.156%0.55932%0.315SS*.  trans-70.3152.5-178.6750000112.9A89 G90S87-A89 PolarHBondContact O-N 2.84Å; S87-G90 PolarHBondContact O-N 3.39Å
88E90.3Very high96.4Very high136 Ų13654.6 Ų54.664%0.63632%0.316SS*.THydrogen-bonded Turntrans-70.2-19.4176.9-54.4-15412600114.4P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.39Å; P14-E88 WeakPolarHBondContact CG-O 3.39Å; R81-E88 IonicContact CZ-OE1 2.91Å; R81-E88 IonicContact NH1-OE1 3.28Å; R81-E88 PolarHBondContact NH1-OE1 3.22Å; R81-E88 IonicContact NH2-OE1 3Å; R81-E88 PolarHBondContact NH2-OE1 3.23Å; E88-G90 VanDerWaalsContact C-N 3.26Å; E88-G90 PolarHBondContact O-N 2.82Å
89A91.4Very high96.6Very high88 Ų8852.9 Ų52.973%0.72730%0.299SS*.THydrogen-bonded Turntrans-75.9-16179.200000112.9S87S87-A89 PolarHBondContact O-N 2.84Å
90G92.7Very high96.6Very high21 Ų2150.4 Ų50.422%0.21628%0.283CS..SBendtrans-76134.8-179.100000112.9P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.47Å; S87-G90 PolarHBondContact O-N 3.39Å; E88-G90 VanDerWaalsContact C-N 3.26Å; E88-G90 PolarHBondContact O-N 2.82Å; G90-H92 PolarHBondContact O-CD2 2.98Å
91S97Very high96.7Very high75 Ų7551.1 Ų51.152%0.52429%0.287SS..  trans-80.6131.2165.2-1770000108.9S12S12-S91 PolarHBondContact O-OG 3.2Å
92H98.1Very high96.8Very high15 Ų1547.7 Ų47.77%0.06927%0.274CS..  trans-129153.6-176.8-64.7-73.1000110.7V11 S12 L77 Q86 G90 Y117 D118V11-H92 WeakPolarHBondContact CA-O 3.38Å; S12-H92 PolarHBondContact N-O 2.93Å; S12-H92 PolarHBondContact OG-N 3.33Å; S12-H92 PolarHBondContact OG-O 2.98Å; L77-H92 HydrophobicContact CD2-CB 3.99Å; L77-H92 WeakPolarHBondContact CD2-O 3.28Å; Q86-H92 PolarHBondContact NE2-CE1 2.93Å; Q86-H92 PolarHBondContact OE1-CE1 2.98Å; Q86-H92 PolarHBondContact OE1-ND1 2.61Å; G90-H92 PolarHBondContact O-CD2 2.98Å; H92-Y117 HydrophobicContact CB-CE2 3.89Å; H92-Y117 WeakPolarHBondContact CB-OH 3.34Å; H92-Y117 VanDerWaalsContact CG-OH 3.23Å; H92-Y117 AromaticContact ND1-CZ 3.9Å; H92-Y117 PolarHBondContact ND1-OH 3.19Å; H92-D118 WeakPolarHBondContact CA-OD1 3.28Å; H92-D118 IonicContact CE1-OD2 3.71Å; H92-D118 IonicContact CG-OD1 3.12Å; H92-D118 IonicContact CG-OD2 3.65Å; H92-D118 IonicContact ND1-OD1 3.57Å; H92-D118 IonicContact ND1-OD2 2.72Å; H92-D118 PolarHBondContact ND1-OD2 3.18Å
93T98.5Very high96.7Very high35 Ų3545.9 Ų45.922%0.21526%0.256CS..EExtended strand (participates in β ladder)trans-125.6128.8-176.5-540000110.9T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 3.94Å; S10-T93 CarbonylContact O-C 3.59Å; S10-T93 VanDerWaalsContact O-CA 3.31Å; S10-T93 WeakPolarHBondContact O-CA 3.41Å; V11-T93 HydrophobicContact CG2-CG2 4.18Å; T93-Q95 HydrophobicContact CG2-CG 3.96Å; T93-Y117 CarbonylContact O-C 3.59Å; T93-Y117 WeakPolarHBondContact O-CA 3.16Å; T93-Y117 WeakPolarHBondContact O-CD2 3.28Å; T93-D118 PolarHBondContact N-OD1 2.85Å; T93-D118 PolarHBondContact O-N 3.11Å
94V98.6Very high96.4Very high1 Ų148 Ų481%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-112.1124.7168.1173.60000108.6S10 L77 L80 Y115 Y117S10-V94 PolarHBondContact N-O 2.94Å; S10-V94 PolarHBondContact O-N 2.89Å; L77-V94 HydrophobicContact CD2-CB 4.33Å; L77-V94 HydrophobicContact CD2-CG2 3.65Å; L77-V94 HydrophobicContact CG-CB 4.41Å; L77-V94 HydrophobicContact CG-CG2 3.83Å; L80-V94 HydrophobicContact CD1-CG2 3.55Å; V94-Y115 HydrophobicContact CG1-CD1 4.05Å; V94-Y115 HydrophobicContact CG1-CE1 4.43Å; V94-Y117 HydrophobicContact CG2-CD2 3.67Å; V94-Y117 HydrophobicContact CG2-CE2 4Å
95Q98.8Very high96.2Very high76 Ų7648.9 Ų48.936%0.35529%0.289SS..EExtended strand (participates in β ladder)trans-116.6144.1175.5-65.4170.2-82.900110F8 T9 T93 Y115 A116F8-Q95 CarbonylContact O-C 3.6Å; F8-Q95 VanDerWaalsContact O-CA 3.27Å; F8-Q95 WeakPolarHBondContact O-CA 3.36Å; T9-Q95 HydrophobicContact CG2-CG 4.02Å; T93-Q95 HydrophobicContact CG2-CG 3.96Å; Q95-Y115 CarbonylContact O-C 3.58Å; Q95-Y115 WeakPolarHBondContact O-CA 3.44Å; Q95-A116 HydrophobicContact CB-CB 4.29Å; Q95-A116 PolarHBondContact N-O 3.14Å; Q95-A116 PolarHBondContact O-N 3.21Å
96R98.6Very high95.9Very high23 Ų2345.8 Ų45.89%0.08727%0.266CS..EExtended strand (participates in β ladder)trans-133.6135.1173-176.8-168.9-175-160.5-4.7109.3F7 F8 H69 Y98 H113 Q114 Y115F7-R96 WeakPolarHBondContact CA-O 3.44Å; F8-R96 HydrophobicContact CB-CB 4.32Å; F8-R96 PolarHBondContact N-O 2.95Å; F8-R96 PolarHBondContact O-N 3.42Å; H69-R96 PolarHBondContact CE1-NH1 2.83Å; H69-R96 PolarHBondContact ND1-NH1 2.72Å; R96-Y98 HydrophobicContact CG-CD1 4.37Å; R96-H113 PolarHBondContact NE-NE2 3.12Å; R96-H113 VanDerWaalsContact NE-NE2 3.16Å; R96-H113 PolarHBondContact NH2-CD2 3.28Å; R96-H113 VanDerWaalsContact NH2-CD2 3.32Å; R96-H113 PolarHBondContact NH2-NE2 3.2Å; R96-Q114 CarbonylContact C-O 3.6Å; R96-Q114 WeakPolarHBondContact CA-O 3.46Å; R96-Y115 HydrophobicContact CB-CD1 4Å; R96-Y115 HydrophobicContact CB-CE1 3.84Å; R96-Y115 HydrophobicContact CB-CE2 4.37Å; R96-Y115 HydrophobicContact CB-CG 4.37Å; R96-Y115 VanDerWaalsContact CD-OH 3.24Å; R96-Y115 WeakPolarHBondContact CD-OH 3.5Å; R96-Y115 HydrophobicContact CG-CD1 4.29Å; R96-Y115 HydrophobicContact CG-CD2 4.04Å; R96-Y115 HydrophobicContact CG-CE1 3.94Å; R96-Y115 HydrophobicContact CG-CE2 3.63Å; R96-Y115 HydrophobicContact CG-CG 4.36Å; R96-Y115 PolarHBondContact NE-OH 3.45Å
97M98.6Very high95.9Very high23 Ų2351 Ų5111%0.11328%0.284CS..EExtended strand (participates in β ladder)trans-122.7132.7165.9-176.2-80.5-77.200109.1Y6 F7 Y112 H113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.37Å; F7-M97 HydrophobicContact CD1-CB 3.92Å; F7-M97 HydrophobicContact CD1-CG 3.61Å; F7-M97 HydrophobicContact CE1-CB 4.08Å; F7-M97 HydrophobicContact CE1-CG 3.36Å; F7-M97 HydrophobicContact CG-CG 4.4Å; F7-M97 HydrophobicContact CZ-CG 3.95Å; M97-Y112 HydrophobicContact CE-CD1 4.22Å; M97-Y112 HydrophobicContact CE-CG 4.21Å; M97-Y112 HydrophobicContact SD-CG 4.48Å; M97-H113 WeakPolarHBondContact O-CA 3.18Å; M97-Q114 HydrophobicContact CB-CG 4.07Å; M97-Q114 VanDerWaalsContact CE-CD 3.45Å; M97-Q114 HydrophobicContact CE-CG 4.01Å; M97-Q114 PolarHBondContact N-O 2.91Å; M97-Q114 PolarHBondContact O-N 2.95Å
98Y98.6Very high96.1Very high18 Ų1850 Ų507%0.07127%0.269CS..EExtended strand (participates in β ladder)trans-145.9159170.371.2-84.3000111.2Y6 F8 R96 Y112 Y158Y6-Y98 HydrophobicContact CD2-CD2 4.47Å; Y6-Y98 AromaticContact CD2-CE2 3.68Å; Y6-Y98 HydrophobicContact CD2-CE2 3.68Å; Y6-Y98 AromaticContact CD2-CZ 3.73Å; Y6-Y98 HydrophobicContact CE2-CE2 4.43Å; Y6-Y98 HydrophobicContact CG-CE1 4.27Å; Y6-Y98 HydrophobicContact CG-CE2 4.19Å; Y6-Y98 AromaticContact CG-CZ 3.76Å; Y6-Y98 PolarHBondContact N-O 3.27Å; Y6-Y98 PolarHBondContact O-N 3.2Å; Y6-Y98 VanDerWaalsContact O-N 3.11Å; F8-Y98 HydrophobicContact CD2-CE1 4.26Å; F8-Y98 HydrophobicContact CE1-CE1 4.16Å; F8-Y98 AromaticContact CE2-CE1 3.57Å; F8-Y98 HydrophobicContact CE2-CE1 3.57Å; F8-Y98 AromaticContact CZ-CE1 3.52Å; F8-Y98 HydrophobicContact CZ-CE1 3.52Å; F8-Y98 AromaticContact CZ-CZ 3.91Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.42Å; R96-Y98 HydrophobicContact CG-CD1 4.37Å; Y98-Y112 WeakPolarHBondContact CA-O 3.35Å; Y98-Y112 VanDerWaalsContact CB-O 3.3Å; Y98-Y112 WeakPolarHBondContact CB-O 3.34Å; Y98-Y158 AromaticContact CD2-CE1 3.94Å; Y98-Y158 HydrophobicContact CD2-CE1 3.94Å; Y98-Y158 AromaticContact CE2-CE1 3.85Å; Y98-Y158 HydrophobicContact CE2-CE1 3.85Å
99G98.6Very high96.4Very high0 Ų048.7 Ų48.70%027%0.266CS..EExtended strand (participates in β ladder)trans159.7-176.2-179.900000113.6M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.53Å; M4-G99 WeakPolarHBondContact O-CA 3.35Å; G99-G111 CarbonylContact O-C 3.49Å; G99-G111 WeakPolarHBondContact O-CA 3.48Å; G99-Y112 PolarHBondContact N-O 3.18Å; G99-Y112 PolarHBondContact O-N 2.91Å; G99-L159 VanDerWaalsContact O-CD2 3.24Å; G99-L159 WeakPolarHBondContact O-CD2 3.46Å
100C98.7Very high96.7Very high0 Ų049 Ų490%025%0.248CC..EExtended strand (participates in β ladder)trans-136.3152.6-175.455.70000111.5S3 M4 F108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.36Å; M4-C100 PolarHBondContact N-O 3.44Å; M4-C100 PolarHBondContact O-N 3.42Å; C100-F108 HydrophobicContact CB-CD2 4.43Å; C100-F108 HydrophobicContact CB-CE2 4.15Å; C100-R110 CarbonylContact C-O 3.57Å; C100-R110 VanDerWaalsContact CA-O 3.3Å; C100-R110 WeakPolarHBondContact CA-O 3.46Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.41Å; C100-C163 PolarHBondContact N-SG 3.16Å; C100-C163 VanDerWaalsContact N-SG 3.37Å; C100-C163 WeakPolarHBondContact SG-CB 3.47Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.2Å
101D98.4Very high97Very high26 Ų2648.2 Ų48.214%0.13924%0.24CC..EExtended strand (participates in β ladder)trans-114.3143173.5-59.6-11.9000109.7H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.6Å; H2-D101 WeakPolarHBondContact O-CA 3.44Å; S3-D101 WeakPolarHBondContact CB-OD1 3.5Å; R5-D101 IonicContact CZ-OD1 3.72Å; R5-D101 IonicContact NE-OD1 2.95Å; R5-D101 PolarHBondContact NE-OD1 3.22Å; R5-D101 VanDerWaalsContact NH2-CG 3.28Å; R5-D101 IonicContact NH2-OD1 3.26Å; R5-D101 PolarHBondContact NH2-OD1 3.47Å; R5-D101 IonicContact NH2-OD2 2.73Å; R5-D101 PolarHBondContact NH2-OD2 3.2Å; D101-L109 HydrophobicContact CB-CB 4.35Å; D101-L109 PolarHBondContact O-N 2.86Å; D101-R110 HydrophobicContact CB-CB 4.39Å; D101-R110 PolarHBondContact N-O 2.79Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.31Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.32Å; D101-Y112 PolarHBondContact OD2-OH 2.7Å
102V97.9Very high97.1Very high0 Ų046.6 Ų46.60%022%0.223CC..EExtended strand (participates in β ladder)trans-124.4145.3175.3-61.50000111.6S1 H2 W106 R107 V164 L167S1-V102 WeakPolarHBondContact CA-O 3.34Å; S1-V102 VanDerWaalsContact CB-O 3.28Å; S1-V102 WeakPolarHBondContact CB-O 3.45Å; H2-V102 HydrophobicContact CB-CG2 3.98Å; H2-V102 PolarHBondContact N-O 3.33Å; H2-V102 PolarHBondContact O-N 3Å; V102-W106 HydrophobicContact CG2-CE3 4.47Å; V102-R107 CarbonylContact C-O 3.54Å; V102-R107 WeakPolarHBondContact CA-O 3.42Å; V102-V164 HydrophobicContact CG1-CB 4.37Å; V102-V164 HydrophobicContact CG1-CG1 3.85Å; V102-V164 HydrophobicContact CG1-CG2 3.99Å; V102-L167 HydrophobicContact CB-CD2 4.42Å; V102-L167 HydrophobicContact CG1-CD2 3.97Å; V102-L167 HydrophobicContact CG2-CD2 3.71Å; V102-L167 HydrophobicContact CG2-CG 4.29Å
103G95.8Very high97.1Very high6 Ų646.1 Ų46.16%0.06222%0.221CC..  trans-70.7174175.800000112.2D105 W106 R107 L109G103-D105 PolarHBondContact O-N 3.41Å; G103-W106 WeakPolarHBondContact O-CA 3.4Å; G103-W106 PolarHBondContact O-N 3.22Å; G103-R107 PolarHBondContact N-O 2.83Å; G103-L109 VanDerWaalsContact CA-CD1 3.47Å
104S91.3Very high97.1Very high108 Ų10848 Ų4876%0.75523%0.227SC*.THydrogen-bonded Turntrans-62.3-21.3170.547.80000112.8W106S104-W106 VanDerWaalsContact C-N 3.27Å
105D92.1Very high97.1Very high84 Ų8449 Ų4945%0.44923%0.231SC..THydrogen-bonded Turntrans-88.710.417370.8-17.9000113.3G103 R107G103-D105 PolarHBondContact O-N 3.41Å; D105-R107 PolarHBondContact O-N 3.43Å; D105-R107 VanDerWaalsContact O-N 3.16Å; D105-R107 WeakPolarHBondContact OD1-CB 3.4Å; D105-R107 PolarHBondContact OD1-N 2.96Å; D105-R107 VanDerWaalsContact OD1-N 3.13Å; D105-R107 WeakPolarHBondContact OD2-CD 3.27Å; D105-R107 VanDerWaalsContact OD2-CG 3.28Å; D105-R107 WeakPolarHBondContact OD2-CG 3.44Å; D105-R107 IonicContact OD2-NE 3.28Å; D105-R107 PolarHBondContact OD2-NE 2.89Å
106W90.6Very high97.1Very high86 Ų8646.1 Ų46.133%0.32622%0.22SC..SBendtrans65.67.5-179.5-51.695.8000115V102 G103 S104 R168 L171V102-W106 HydrophobicContact CG2-CE3 4.47Å; G103-W106 WeakPolarHBondContact O-CA 3.4Å; G103-W106 PolarHBondContact O-N 3.22Å; S104-W106 VanDerWaalsContact C-N 3.27Å; W106-R168 HydrophobicContact CE3-CG 4.01Å; W106-R168 PolarHBondContact O-NE 3.45Å; W106-R168 PolarHBondContact O-NH2 3.33Å; W106-L171 HydrophobicContact CE3-CD1 4.38Å; W106-L171 HydrophobicContact CH2-CB 4.04Å; W106-L171 HydrophobicContact CH2-CD1 4.11Å; W106-L171 HydrophobicContact CZ3-CB 3.85Å; W106-L171 HydrophobicContact CZ3-CD1 3.42Å; W106-L171 VanDerWaalsContact CZ3-CD1 3.42Å; W106-L171 HydrophobicContact CZ3-CG 4.22Å
107R95.6Very high97.1Very high171 Ų17145.6 Ų45.665%0.64522%0.218SC*.  trans-80.7148.6179-64.1-171.7-175.6-177.1-2110.9V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.54Å; V102-R107 WeakPolarHBondContact CA-O 3.42Å; G103-R107 PolarHBondContact N-O 2.83Å; D105-R107 PolarHBondContact O-N 3.43Å; D105-R107 VanDerWaalsContact O-N 3.16Å; D105-R107 WeakPolarHBondContact OD1-CB 3.4Å; D105-R107 PolarHBondContact OD1-N 2.96Å; D105-R107 VanDerWaalsContact OD1-N 3.13Å; D105-R107 WeakPolarHBondContact OD2-CD 3.27Å; D105-R107 VanDerWaalsContact OD2-CG 3.28Å; D105-R107 WeakPolarHBondContact OD2-CG 3.44Å; D105-R107 IonicContact OD2-NE 3.28Å; D105-R107 PolarHBondContact OD2-NE 2.89Å; R107-L109 PolarHBondContact O-N 2.83Å
108F98.1Very high97.1Very high59 Ų5947.3 Ų47.326%0.25923%0.228SC..EExtended strand (participates in β ladder)trans-55.5129.3173177.9-99000110.5C100 R110 G111 L129 L159 E160 V164C100-F108 HydrophobicContact CB-CD2 4.43Å; C100-F108 HydrophobicContact CB-CE2 4.15Å; F108-R110 VanDerWaalsContact CE2-C 3.45Å; F108-R110 WeakPolarHBondContact CE2-O 3.42Å; F108-G111 VanDerWaalsContact CZ-N 3.27Å; F108-L129 HydrophobicContact CE1-CD1 3.93Å; F108-L129 HydrophobicContact CZ-CD1 3.65Å; F108-L159 HydrophobicContact CE2-CB 4.48Å; F108-L159 WeakPolarHBondContact CE2-O 3.44Å; F108-E160 HydrophobicContact CD1-CG 4.1Å; F108-E160 HydrophobicContact CD2-CG 4.49Å; F108-E160 HydrophobicContact CE1-CG 3.93Å; F108-E160 HydrophobicContact CE2-CG 4.34Å; F108-E160 HydrophobicContact CG-CG 4.36Å; F108-E160 HydrophobicContact CZ-CG 4.06Å; F108-V164 HydrophobicContact CB-CG2 4.12Å; F108-V164 HydrophobicContact CD2-CG2 3.76Å; F108-V164 HydrophobicContact CG-CG2 4.43Å
109L97.6Very high97Very high107 Ų10749.3 Ų49.356%0.5625%0.254SS*.EExtended strand (participates in β ladder)trans-108.8-48.8174.7-68.3-178.8000111.8D101 G103 R107D101-L109 HydrophobicContact CB-CB 4.35Å; D101-L109 PolarHBondContact O-N 2.86Å; G103-L109 VanDerWaalsContact CA-CD1 3.47Å; R107-L109 PolarHBondContact O-N 2.83Å
110R97.8Very high97Very high94 Ų9457 Ų5736%0.35529%0.287SS..EExtended strand (participates in β ladder)trans-156.1147.4-171.6-172.1163.3169.8145.48.5111.5C100 D101 F108 Y112 E127C100-R110 CarbonylContact C-O 3.57Å; C100-R110 VanDerWaalsContact CA-O 3.3Å; C100-R110 WeakPolarHBondContact CA-O 3.46Å; D101-R110 HydrophobicContact CB-CB 4.39Å; D101-R110 PolarHBondContact N-O 2.79Å; F108-R110 VanDerWaalsContact CE2-C 3.45Å; F108-R110 WeakPolarHBondContact CE2-O 3.42Å; R110-Y112 HydrophobicContact CB-CE2 4.12Å; R110-Y112 VanDerWaalsContact CD-CZ 3.5Å; R110-Y112 WeakPolarHBondContact CD-OH 3.31Å; R110-Y112 HydrophobicContact CG-CD2 4.5Å; R110-Y112 HydrophobicContact CG-CE1 4.14Å; R110-Y112 HydrophobicContact CG-CE2 3.76Å; R110-Y112 VanDerWaalsContact NE-CE1 3.25Å; R110-Y112 PolarHBondContact NE-OH 3.46Å; R110-E127 VanDerWaalsContact CZ-CD 3.48Å; R110-E127 IonicContact CZ-OE1 3.46Å; R110-E127 IonicContact NH1-OE1 3.92Å; R110-E127 PolarHBondContact NH1-OE1 3.21Å; R110-E127 IonicContact NH1-OE2 3.55Å; R110-E127 VanDerWaalsContact NH2-CG 3.33Å; R110-E127 IonicContact NH2-OE1 2.78Å; R110-E127 PolarHBondContact NH2-OE1 2.72Å
111G98.3Very high97Very high5 Ų562.9 Ų62.95%0.05232%0.319CS..EExtended strand (participates in β ladder)trans-122150.3174.900000110.5G99 F108G99-G111 CarbonylContact O-C 3.49Å; G99-G111 WeakPolarHBondContact O-CA 3.48Å; F108-G111 VanDerWaalsContact CZ-N 3.27Å
112Y98.4Very high97Very high41 Ų4162 Ų6216%0.16131%0.314CS..EExtended strand (participates in β ladder)trans-132.2140.5-178.7-53.4-97.5000109.5R5 M97 Y98 G99 D101 R110R5-Y112 PolarHBondContact NH2-OH 2.84Å; M97-Y112 HydrophobicContact CE-CD1 4.22Å; M97-Y112 HydrophobicContact CE-CG 4.21Å; M97-Y112 HydrophobicContact SD-CG 4.48Å; Y98-Y112 WeakPolarHBondContact CA-O 3.35Å; Y98-Y112 VanDerWaalsContact CB-O 3.3Å; Y98-Y112 WeakPolarHBondContact CB-O 3.34Å; G99-Y112 PolarHBondContact N-O 3.18Å; G99-Y112 PolarHBondContact O-N 2.91Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.31Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.32Å; D101-Y112 PolarHBondContact OD2-OH 2.7Å; R110-Y112 HydrophobicContact CB-CE2 4.12Å; R110-Y112 VanDerWaalsContact CD-CZ 3.5Å; R110-Y112 WeakPolarHBondContact CD-OH 3.31Å; R110-Y112 HydrophobicContact CG-CD2 4.5Å; R110-Y112 HydrophobicContact CG-CE1 4.14Å; R110-Y112 HydrophobicContact CG-CE2 3.76Å; R110-Y112 VanDerWaalsContact NE-CE1 3.25Å; R110-Y112 PolarHBondContact NE-OH 3.46Å
113H98.6Very high97.1Very high6 Ų662.2 Ų62.23%0.02832%0.315CS..EExtended strand (participates in β ladder)trans-158.8102.8169.5-175.2-87.4000109.3R96 M97 Y115 L125 W132 W146 L155R96-H113 PolarHBondContact NE-NE2 3.12Å; R96-H113 VanDerWaalsContact NE-NE2 3.16Å; R96-H113 PolarHBondContact NH2-CD2 3.28Å; R96-H113 VanDerWaalsContact NH2-CD2 3.32Å; R96-H113 PolarHBondContact NH2-NE2 3.2Å; M97-H113 WeakPolarHBondContact O-CA 3.18Å; H113-Y115 AromaticContact CE1-CE2 3.44Å; H113-Y115 VanDerWaalsContact CE1-CE2 3.44Å; H113-Y115 WeakPolarHBondContact CE1-CE2 3.42Å; H113-Y115 AromaticContact NE2-CE2 3.92Å; H113-L125 HydrophobicContact CB-CB 3.98Å; H113-L125 HydrophobicContact CB-CD2 4.14Å; H113-L125 WeakPolarHBondContact O-CB 3.18Å; H113-L125 PolarHBondContact O-N 3.3Å; H113-W132 AromaticContact ND1-CH2 3.75Å; H113-W132 AromaticContact ND1-CZ3 3.8Å; H113-W146 AromaticContact CE1-CH2 3.95Å; H113-W146 AromaticContact CE1-CZ3 3.98Å; H113-L155 HydrophobicContact CB-CD1 4.31Å
114Q98.5Very high97.2Very high73 Ų7363.4 Ų63.434%0.34132%0.324SS..EExtended strand (participates in β ladder)trans-140146.8-172.762.5-165.462.100111.8R96 M97 I123 A124R96-Q114 CarbonylContact C-O 3.6Å; R96-Q114 WeakPolarHBondContact CA-O 3.46Å; M97-Q114 HydrophobicContact CB-CG 4.07Å; M97-Q114 VanDerWaalsContact CE-CD 3.45Å; M97-Q114 HydrophobicContact CE-CG 4.01Å; M97-Q114 PolarHBondContact N-O 2.91Å; M97-Q114 PolarHBondContact O-N 2.95Å; Q114-I123 CarbonylContact C-O 3.44Å; Q114-I123 WeakPolarHBondContact CA-O 3.46Å; Q114-A124 HydrophobicContact CB-CB 3.87Å
115Y98.6Very high97.6Very high23 Ų2359 Ų599%0.0929%0.292CS..EExtended strand (participates in β ladder)trans-119.9146.3175.9-76.6-107.4000110.5V94 Q95 R96 H113 Y122 I123 W146V94-Y115 HydrophobicContact CG1-CD1 4.05Å; V94-Y115 HydrophobicContact CG1-CE1 4.43Å; Q95-Y115 CarbonylContact O-C 3.58Å; Q95-Y115 WeakPolarHBondContact O-CA 3.44Å; R96-Y115 HydrophobicContact CB-CD1 4Å; R96-Y115 HydrophobicContact CB-CE1 3.84Å; R96-Y115 HydrophobicContact CB-CE2 4.37Å; R96-Y115 HydrophobicContact CB-CG 4.37Å; R96-Y115 VanDerWaalsContact CD-OH 3.24Å; R96-Y115 WeakPolarHBondContact CD-OH 3.5Å; R96-Y115 HydrophobicContact CG-CD1 4.29Å; R96-Y115 HydrophobicContact CG-CD2 4.04Å; R96-Y115 HydrophobicContact CG-CE1 3.94Å; R96-Y115 HydrophobicContact CG-CE2 3.63Å; R96-Y115 HydrophobicContact CG-CG 4.36Å; R96-Y115 PolarHBondContact NE-OH 3.45Å; H113-Y115 AromaticContact CE1-CE2 3.44Å; H113-Y115 VanDerWaalsContact CE1-CE2 3.44Å; H113-Y115 WeakPolarHBondContact CE1-CE2 3.42Å; H113-Y115 AromaticContact NE2-CE2 3.92Å; Y115-Y122 WeakPolarHBondContact O-CB 3.5Å; Y115-Y122 PolarHBondContact O-N 2.91Å; Y115-I123 HydrophobicContact CD2-CG2 4.44Å; Y115-I123 PolarHBondContact N-O 3.21Å; Y115-I123 PolarHBondContact O-N 3.28Å; Y115-W146 AromaticContact CD2-CH2 3.85Å; Y115-W146 HydrophobicContact CD2-CH2 3.85Å; Y115-W146 AromaticContact CE2-CH2 3.57Å; Y115-W146 HydrophobicContact CE2-CH2 3.57Å; Y115-W146 HydrophobicContact CE2-CZ2 4.39Å; Y115-W146 HydrophobicContact CE2-CZ3 4.47Å
116A98.8Very high97.9Very high16 Ų1659.2 Ų59.213%0.13229%0.288CS..EExtended strand (participates in β ladder)trans-126.4148.3168.500000110.2Q95 K120Q95-A116 HydrophobicContact CB-CB 4.29Å; Q95-A116 PolarHBondContact N-O 3.14Å; Q95-A116 PolarHBondContact O-N 3.21Å; A116-K120 CarbonylContact C-O 3.6Å; A116-K120 WeakPolarHBondContact CA-O 3.49Å; A116-K120 WeakPolarHBondContact CB-O 3.38Å
117Y98.6Very high98.2Very high11 Ų1161.5 Ų61.54%0.04330%0.303CS..EExtended strand (participates in β ladder)trans-127.7127.9176.9-174.2-119.8000109.9L77 L80 R81 Y84 Q86 H92 T93 V94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.42Å; L80-Y117 HydrophobicContact CB-CD1 4.33Å; L80-Y117 HydrophobicContact CB-CD2 4.06Å; L80-Y117 HydrophobicContact CB-CE1 4.04Å; L80-Y117 HydrophobicContact CB-CE2 3.76Å; L80-Y117 HydrophobicContact CB-CG 4.32Å; L80-Y117 HydrophobicContact CD1-CD2 3.59Å; L80-Y117 HydrophobicContact CD1-CE2 4.01Å; L80-Y117 HydrophobicContact CD1-CG 3.99Å; L80-Y117 HydrophobicContact CG-CD2 4.42Å; R81-Y117 PolarHBondContact N-OH 2.97Å; Y84-Y117 AromaticContact CD2-CD1 3.68Å; Y84-Y117 HydrophobicContact CD2-CD1 3.68Å; Y84-Y117 AromaticContact CD2-CE1 3.46Å; Y84-Y117 HydrophobicContact CD2-CE1 3.46Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.46Å; Y84-Y117 AromaticContact CE2-CD1 3.44Å; Y84-Y117 HydrophobicContact CE2-CD1 3.44Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.44Å; Y84-Y117 AromaticContact CE2-CE1 3.76Å; Y84-Y117 HydrophobicContact CE2-CE1 3.76Å; Y84-Y117 HydrophobicContact CE2-CG 4.4Å; Y84-Y117 HydrophobicContact CG-CE1 4.4Å; Q86-Y117 PolarHBondContact OE1-OH 3.32Å; H92-Y117 HydrophobicContact CB-CE2 3.89Å; H92-Y117 WeakPolarHBondContact CB-OH 3.34Å; H92-Y117 VanDerWaalsContact CG-OH 3.23Å; H92-Y117 AromaticContact ND1-CZ 3.9Å; H92-Y117 PolarHBondContact ND1-OH 3.19Å; T93-Y117 CarbonylContact O-C 3.59Å; T93-Y117 WeakPolarHBondContact O-CA 3.16Å; T93-Y117 WeakPolarHBondContact O-CD2 3.28Å; V94-Y117 HydrophobicContact CG2-CD2 3.67Å; V94-Y117 HydrophobicContact CG2-CE2 4Å; Y117-G119 PolarHBondContact O-N 2.98Å; Y117-K120 PolarHBondContact N-O 3.18Å; Y117-K120 PolarHBondContact O-N 3.2Å
118D98.1Very high98.3Very high60 Ų6057.1 Ų57.132%0.32129%0.292SS..THydrogen-bonded Turntrans49.340.3-175.7-66.7-20.4000113.3Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 3.32Å; H92-D118 WeakPolarHBondContact CA-OD1 3.28Å; H92-D118 IonicContact CE1-OD2 3.71Å; H92-D118 IonicContact CG-OD1 3.12Å; H92-D118 IonicContact CG-OD2 3.65Å; H92-D118 IonicContact ND1-OD1 3.57Å; H92-D118 IonicContact ND1-OD2 2.72Å; H92-D118 PolarHBondContact ND1-OD2 3.18Å; T93-D118 PolarHBondContact N-OD1 2.85Å; T93-D118 PolarHBondContact O-N 3.11Å; D118-K120 VanDerWaalsContact C-N 3.29Å; D118-K120 PolarHBondContact O-N 3.22Å
119G97.3Very high98.3Very high59 Ų5954.5 Ų54.561%0.60828%0.281SS*.THydrogen-bonded Turntrans77.36.5178.400000115.3Y117Y117-G119 PolarHBondContact O-N 2.98Å
120K98.4Very high98.3Very high161 Ų16157.5 Ų57.570%0.729%0.285SS*.EExtended strand (participates in β ladder)trans-113.1145.7177.1-62179.5-177.1177.30110.9A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.6Å; A116-K120 WeakPolarHBondContact CA-O 3.49Å; A116-K120 WeakPolarHBondContact CB-O 3.38Å; Y117-K120 PolarHBondContact N-O 3.18Å; Y117-K120 PolarHBondContact O-N 3.2Å; D118-K120 VanDerWaalsContact C-N 3.29Å; D118-K120 PolarHBondContact O-N 3.22Å; K120-Y122 PolarHBondContact O-N 3.17Å
121D98.6Very high98.3Very high124 Ų12454.4 Ų54.466%0.66328%0.278SS*.EExtended strand (participates in β ladder)trans-53.8137.5173.5-70.5-27.8000110.8A135D121-A135 HydrophobicContact CB-CB 4.31Å; D121-A135 WeakPolarHBondContact O-CB 3.36Å
122Y98.8Very high98.3Very high9 Ų954.3 Ų54.34%0.03528%0.276CS..EExtended strand (participates in β ladder)trans-115.4-65.8179.1179.8-115.8000110.9L80 Y84 Y115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.26Å; L80-Y122 HydrophobicContact CD2-CD2 4.19Å; L80-Y122 HydrophobicContact CD2-CE1 3.64Å; L80-Y122 HydrophobicContact CD2-CE2 3.54Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.28Å; Y84-Y122 HydrophobicContact CE2-CE2 4.29Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.28Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.33Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.03Å; Y115-Y122 WeakPolarHBondContact O-CB 3.5Å; Y115-Y122 PolarHBondContact O-N 2.91Å; K120-Y122 PolarHBondContact O-N 3.17Å; Y122-A135 WeakPolarHBondContact O-CB 3.22Å; Y122-A135 PolarHBondContact O-N 3.49Å; Y122-A138 HydrophobicContact CE2-CB 4.48Å; Y122-A138 PolarHBondContact OH-O 3.17Å; Y122-A139 HydrophobicContact CD2-CB 3.72Å; Y122-A139 HydrophobicContact CE2-CB 3.57Å; Y122-A139 HydrophobicContact CG-CB 4.35Å; Y122-A139 WeakPolarHBondContact O-CB 3.29Å; Y122-T142 HydrophobicContact CE1-CG2 4.17Å; Y122-T142 WeakPolarHBondContact OH-CB 3.4Å; Y122-T142 PolarHBondContact OH-OG1 2.86Å
123I98.8Very high98.3Very high4 Ų455.8 Ų55.82%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-147.3138.7178.6-164.6174.3000110.4Q114 Y115 W132 T133 T142 K143 W146Q114-I123 CarbonylContact C-O 3.44Å; Q114-I123 WeakPolarHBondContact CA-O 3.46Å; Y115-I123 HydrophobicContact CD2-CG2 4.44Å; Y115-I123 PolarHBondContact N-O 3.21Å; Y115-I123 PolarHBondContact O-N 3.28Å; I123-W132 HydrophobicContact CD1-CB 4.29Å; I123-W132 HydrophobicContact CD1-CD2 4.35Å; I123-W132 HydrophobicContact CD1-CE3 4.13Å; I123-W132 HydrophobicContact CD1-CG 4.44Å; I123-W132 HydrophobicContact CG1-CB 4.37Å; I123-W132 HydrophobicContact CG1-CE3 4Å; I123-T133 CarbonylContact C-O 3.58Å; I123-T133 WeakPolarHBondContact CA-O 3.29Å; I123-T133 WeakPolarHBondContact CG1-O 3.44Å; I123-T142 HydrophobicContact CD1-CG2 4.12Å; I123-K143 HydrophobicContact CD1-CB 3.85Å; I123-W146 HydrophobicContact CD1-CE3 4.09Å; I123-W146 HydrophobicContact CD1-CZ3 4.35Å; I123-W146 HydrophobicContact CG2-CH2 4.12Å; I123-W146 HydrophobicContact CG2-CZ3 3.88Å
124A98.8Very high98.3Very high31 Ų3156.3 Ų56.326%0.25630%0.295SS..EExtended strand (participates in β ladder)trans-134.5136.8-179.900000111.6Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.87Å; A124-W132 WeakPolarHBondContact O-CA 3.39Å; A124-T133 PolarHBondContact N-O 3.45Å; A124-T133 PolarHBondContact O-N 2.81Å
125L98.8Very high98.3Very high16 Ų1655.6 Ų55.68%0.08430%0.301CS..EExtended strand (participates in β ladder)trans-69.5129.8168.6-174.265000108.5H113 L129 W132 A152 L155 L159H113-L125 HydrophobicContact CB-CB 3.98Å; H113-L125 HydrophobicContact CB-CD2 4.14Å; H113-L125 WeakPolarHBondContact O-CB 3.18Å; H113-L125 PolarHBondContact O-N 3.3Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.76Å; L125-L129 HydrophobicContact CG-CD2 4.3Å; L125-W132 HydrophobicContact CB-CE3 4.03Å; L125-W132 HydrophobicContact CB-CH2 4.14Å; L125-W132 HydrophobicContact CB-CZ3 3.67Å; L125-W132 HydrophobicContact CD1-CD2 4.17Å; L125-W132 HydrophobicContact CD1-CE3 4.23Å; L125-W132 HydrophobicContact CD1-CH2 4.03Å; L125-W132 HydrophobicContact CD1-CZ2 3.95Å; L125-W132 HydrophobicContact CD1-CZ3 4.16Å; L125-W132 HydrophobicContact CG-CZ3 4.49Å; L125-A152 HydrophobicContact CD1-CB 4.06Å; L125-L155 HydrophobicContact CD2-CB 4.37Å; L125-L159 HydrophobicContact CD2-CD1 3.97Å
126K98.4Very high98.3Very high87 Ų8757.4 Ų57.438%0.37831%0.312SS..  trans-74.5166.4178-70.4178.3179.9177.80111.3D128 L129 S131 T133K126-D128 PolarHBondContact O-N 3.16Å; K126-D128 VanDerWaalsContact O-N 3.13Å; K126-L129 PolarHBondContact O-N 3.26Å; K126-S131 WeakPolarHBondContact CB-O 3.5Å; K126-S131 VanDerWaalsContact CD-OG 3.29Å; K126-S131 WeakPolarHBondContact CD-OG 3.49Å; K126-S131 PolarHBondContact N-O 2.8Å; K126-T133 WeakPolarHBondContact CE-OG1 3.21Å; K126-T133 WeakPolarHBondContact CG-OG1 3.47Å
127E97.6Very high98.2Very high135 Ų13564 Ų6463%0.63134%0.343SS*.THydrogen-bonded Turntrans-59.2-24.3179.9-64.7-179.1-171.500113.6R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.48Å; R110-E127 IonicContact CZ-OE1 3.46Å; R110-E127 IonicContact NH1-OE1 3.92Å; R110-E127 PolarHBondContact NH1-OE1 3.21Å; R110-E127 IonicContact NH1-OE2 3.55Å; R110-E127 VanDerWaalsContact NH2-CG 3.33Å; R110-E127 IonicContact NH2-OE1 2.78Å; R110-E127 PolarHBondContact NH2-OE1 2.72Å; E127-L129 PolarHBondContact O-N 3.35Å
128D97.4Very high98.1Very high78 Ų7864.1 Ų64.142%0.41735%0.346SS..THydrogen-bonded Turntrans-71-9.6175.169.54.7000114K126 R130 S131K126-D128 PolarHBondContact O-N 3.16Å; K126-D128 VanDerWaalsContact O-N 3.13Å; D128-R130 WeakPolarHBondContact O-CG 3.45Å; D128-R130 PolarHBondContact O-N 3.32Å; D128-R130 VanDerWaalsContact O-N 3.13Å; D128-R130 PolarHBondContact OD1-N 2.77Å; D128-S131 PolarHBondContact OD1-N 2.94Å; D128-S131 PolarHBondContact OD1-OG 3.21Å; D128-S131 PolarHBondContact OD2-OG 3.49Å
129L98.1Very high98.1Very high5 Ų561.3 Ų61.33%0.02633%0.33CS..SBendtrans53.924.5-175.3-51.3178.2000114.2F108 L125 K126 E127 R156 L159 E160F108-L129 HydrophobicContact CE1-CD1 3.93Å; F108-L129 HydrophobicContact CZ-CD1 3.65Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.76Å; L125-L129 HydrophobicContact CG-CD2 4.3Å; K126-L129 PolarHBondContact O-N 3.26Å; E127-L129 PolarHBondContact O-N 3.35Å; L129-R156 HydrophobicContact CB-CB 4.12Å; L129-R156 HydrophobicContact CB-CG 3.92Å; L129-R156 HydrophobicContact CD1-CG 4.08Å; L129-L159 HydrophobicContact CD2-CD1 4.17Å; L129-E160 HydrophobicContact CD1-CG 3.97Å
130R97.5Very high98.1Very high169 Ų16961.2 Ų61.264%0.63831%0.314SS*.SBendtrans-128.8-30.5-175.8-70.4174.2-171.7-145.94.5112.3D128 R156D128-R130 WeakPolarHBondContact O-CG 3.45Å; D128-R130 PolarHBondContact O-N 3.32Å; D128-R130 VanDerWaalsContact O-N 3.13Å; D128-R130 PolarHBondContact OD1-N 2.77Å; R130-R156 VanDerWaalsContact NH2-NH1 3.19Å
131S97.6Very high98.1Very high30 Ų3056.4 Ų56.421%0.2130%0.298CS..  trans-124.6161.8-174.867.30000112.5K126 D128K126-S131 WeakPolarHBondContact CB-O 3.5Å; K126-S131 VanDerWaalsContact CD-OG 3.29Å; K126-S131 WeakPolarHBondContact CD-OG 3.49Å; K126-S131 PolarHBondContact N-O 2.8Å; D128-S131 PolarHBondContact OD1-N 2.94Å; D128-S131 PolarHBondContact OD1-OG 3.21Å; D128-S131 PolarHBondContact OD2-OG 3.49Å
132W98.7Very high98.1Very high2 Ų251.2 Ų51.21%0.00827%0.271CS..EExtended strand (participates in β ladder)trans-117143.6-170.9-60.493.8000112H113 I123 A124 L125 K143 W146 V151 A152 L155H113-W132 AromaticContact ND1-CH2 3.75Å; H113-W132 AromaticContact ND1-CZ3 3.8Å; I123-W132 HydrophobicContact CD1-CB 4.29Å; I123-W132 HydrophobicContact CD1-CD2 4.35Å; I123-W132 HydrophobicContact CD1-CE3 4.13Å; I123-W132 HydrophobicContact CD1-CG 4.44Å; I123-W132 HydrophobicContact CG1-CB 4.37Å; I123-W132 HydrophobicContact CG1-CE3 4Å; A124-W132 WeakPolarHBondContact O-CA 3.39Å; L125-W132 HydrophobicContact CB-CE3 4.03Å; L125-W132 HydrophobicContact CB-CH2 4.14Å; L125-W132 HydrophobicContact CB-CZ3 3.67Å; L125-W132 HydrophobicContact CD1-CD2 4.17Å; L125-W132 HydrophobicContact CD1-CE3 4.23Å; L125-W132 HydrophobicContact CD1-CH2 4.03Å; L125-W132 HydrophobicContact CD1-CZ2 3.95Å; L125-W132 HydrophobicContact CD1-CZ3 4.16Å; L125-W132 HydrophobicContact CG-CZ3 4.49Å; W132-K143 HydrophobicContact CB-CD 4.12Å; W132-K143 HydrophobicContact CB-CG 3.98Å; W132-W146 HydrophobicContact CD2-CE3 4.07Å; W132-W146 AromaticContact CE2-CE3 3.85Å; W132-W146 AromaticContact CE3-CE3 3.88Å; W132-W146 HydrophobicContact CE3-CE3 3.88Å; W132-W146 HydrophobicContact CE3-CZ3 4Å; W132-W146 HydrophobicContact CH2-CD2 4.43Å; W132-W146 AromaticContact CH2-CE3 3.24Å; W132-W146 HydrophobicContact CH2-CE3 3.24Å; W132-W146 AromaticContact CH2-CZ3 3.32Å; W132-W146 HydrophobicContact CH2-CZ3 3.32Å; W132-W146 HydrophobicContact CZ2-CD2 4.39Å; W132-W146 AromaticContact CZ2-CE3 3.46Å; W132-W146 HydrophobicContact CZ2-CE3 3.46Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.46Å; W132-W146 HydrophobicContact CZ2-CZ3 4.05Å; W132-W146 AromaticContact CZ3-CE3 3.49Å; W132-W146 HydrophobicContact CZ3-CE3 3.49Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.49Å; W132-W146 AromaticContact CZ3-CZ3 3.31Å; W132-W146 HydrophobicContact CZ3-CZ3 3.31Å; W132-V151 HydrophobicContact CZ2-CB 4.35Å; W132-V151 HydrophobicContact CZ2-CG1 4.12Å; W132-A152 HydrophobicContact CZ2-CB 4.22Å; W132-L155 HydrophobicContact CH2-CD1 3.41Å; W132-L155 VanDerWaalsContact CH2-CD1 3.41Å; W132-L155 HydrophobicContact CZ2-CD1 3.88Å
133T98.6Very high98.1Very high73 Ų7352.9 Ų52.945%0.44828%0.278SS..EExtended strand (participates in β ladder)trans-102.1120.9164.6-59.60000108.3I123 A124 K126I123-T133 CarbonylContact C-O 3.58Å; I123-T133 WeakPolarHBondContact CA-O 3.29Å; I123-T133 WeakPolarHBondContact CG1-O 3.44Å; A124-T133 PolarHBondContact N-O 3.45Å; A124-T133 PolarHBondContact O-N 2.81Å; K126-T133 WeakPolarHBondContact CE-OG1 3.21Å; K126-T133 WeakPolarHBondContact CG-OG1 3.47Å
134A98.6Very high98Very high17 Ų1758.1 Ų58.114%0.1430%0.303CS..EExtended strand (participates in β ladder)trans-105133.8174.600000108.9A139 Q140 K143A134-A139 HydrophobicContact CB-CB 3.68Å; A134-Q140 HydrophobicContact CB-CG 4.37Å; A134-K143 HydrophobicContact CB-CB 4.32Å; A134-K143 HydrophobicContact CB-CD 4.2Å
135A98.4Very high98Very high57 Ų5762.3 Ų62.347%0.47132%0.315SS..SBendtrans-76.5-31.6-174.100000113.2D121 Y122D121-A135 HydrophobicContact CB-CB 4.31Å; D121-A135 WeakPolarHBondContact O-CB 3.36Å; Y122-A135 WeakPolarHBondContact O-CB 3.22Å; Y122-A135 PolarHBondContact O-N 3.49Å
136D97.9Very high98Very high61 Ų6164.1 Ų64.133%0.32632%0.321SS..SBendtrans-151.7-173.8-179.265.428.9000112.9Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.31Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.27Å; Y84-D136 PolarHBondContact OH-OD1 2.83Å; Y84-D136 PolarHBondContact OH-OD2 3.44Å; D136-A138 VanDerWaalsContact C-N 3.34Å; D136-A138 PolarHBondContact O-N 2.86Å; D136-A138 WeakPolarHBondContact OD1-CA 3.37Å; D136-A138 WeakPolarHBondContact OD1-CB 3.31Å; D136-A138 PolarHBondContact OD1-N 3.01Å; D136-A139 WeakPolarHBondContact O-CB 3.12Å; D136-A139 PolarHBondContact O-N 3.38Å; D136-A139 PolarHBondContact OD1-N 3.29Å; D136-Q140 WeakPolarHBondContact O-CG 3.29Å; D136-Q140 PolarHBondContact O-N 2.73Å
137M96.8Very high98Very high156 Ų15663.5 Ų63.577%0.76832%0.319SS*.Hα-helixtrans-64.6-33.2-178.6-67.1-55.1-59.500113.7A139 Q140M137-A139 VanDerWaalsContact C-N 3.35Å; M137-Q140 PolarHBondContact O-N 2.79Å; M137-Q140 HydrophobicContact SD-CG 4.48Å
138A96.7Very high98Very high13 Ų1361 Ų6111%0.10732%0.321CS..Hα-helixtrans-69.7-38.2175.400000110.3Y84 Y122 D136 Q140 T141Y84-A138 HydrophobicContact CD1-CB 4.09Å; Y84-A138 HydrophobicContact CE1-CB 3.52Å; Y84-A138 HydrophobicContact CE2-CB 4.02Å; Y84-A138 VanDerWaalsContact CZ-CB 3.48Å; Y122-A138 HydrophobicContact CE2-CB 4.48Å; Y122-A138 PolarHBondContact OH-O 3.17Å; D136-A138 VanDerWaalsContact C-N 3.34Å; D136-A138 PolarHBondContact O-N 2.86Å; D136-A138 WeakPolarHBondContact OD1-CA 3.37Å; D136-A138 WeakPolarHBondContact OD1-CB 3.31Å; D136-A138 PolarHBondContact OD1-N 3.01Å; A138-Q140 VanDerWaalsContact C-N 3.34Å; A138-Q140 PolarHBondContact O-N 2.89Å; A138-T141 WeakPolarHBondContact O-CB 3.39Å; A138-T141 PolarHBondContact O-N 2.83Å
139A98.2Very high98Very high0 Ų060 Ų600%032%0.324CS..Hα-helixtrans-65.5-32.5173.200000113.5Y122 A134 D136 M137 T141 T142 K143Y122-A139 HydrophobicContact CD2-CB 3.72Å; Y122-A139 HydrophobicContact CE2-CB 3.57Å; Y122-A139 HydrophobicContact CG-CB 4.35Å; Y122-A139 WeakPolarHBondContact O-CB 3.29Å; A134-A139 HydrophobicContact CB-CB 3.68Å; D136-A139 WeakPolarHBondContact O-CB 3.12Å; D136-A139 PolarHBondContact O-N 3.38Å; D136-A139 PolarHBondContact OD1-N 3.29Å; M137-A139 VanDerWaalsContact C-N 3.35Å; A139-T141 PolarHBondContact O-N 3.43Å; A139-T142 PolarHBondContact O-N 2.87Å; A139-T142 VanDerWaalsContact O-N 3.15Å; A139-K143 PolarHBondContact O-N 2.83Å
140Q98.3Very high98Very high58 Ų5865 Ų6527%0.27135%0.347SS..Hα-helixtrans-58.3-35.3174.2-66.2-62.8-19.600111.9A134 D136 M137 A138 T142 K143 H144A134-Q140 HydrophobicContact CB-CG 4.37Å; D136-Q140 WeakPolarHBondContact O-CG 3.29Å; D136-Q140 PolarHBondContact O-N 2.73Å; M137-Q140 PolarHBondContact O-N 2.79Å; M137-Q140 HydrophobicContact SD-CG 4.48Å; A138-Q140 VanDerWaalsContact C-N 3.34Å; A138-Q140 PolarHBondContact O-N 2.89Å; Q140-T142 PolarHBondContact O-N 3.28Å; Q140-K143 WeakPolarHBondContact O-CB 3.41Å; Q140-K143 PolarHBondContact O-N 2.76Å; Q140-H144 PolarHBondContact O-CD2 2.8Å; Q140-H144 PolarHBondContact O-N 2.83Å
141T97.4Very high98Very high60 Ų6058.2 Ų58.237%0.36833%0.325SS..Hα-helixtrans-63.5-43.2178-61.30000111.2Y83 A138 A139 K145Y83-T141 HydrophobicContact CE1-CG2 4.18Å; Y83-T141 HydrophobicContact CE2-CG2 4.09Å; A138-T141 WeakPolarHBondContact O-CB 3.39Å; A138-T141 PolarHBondContact O-N 2.83Å; A139-T141 PolarHBondContact O-N 3.43Å; T141-K145 WeakPolarHBondContact O-CG 3.41Å; T141-K145 PolarHBondContact O-N 3.23Å
142T98.1Very high98.1Very high15 Ų1557.2 Ų57.29%0.09232%0.318CS..Hα-helixtrans-67.6-41.7174.7-67.10000111.6Y122 I123 A139 Q140 H144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.17Å; Y122-T142 WeakPolarHBondContact OH-CB 3.4Å; Y122-T142 PolarHBondContact OH-OG1 2.86Å; I123-T142 HydrophobicContact CD1-CG2 4.12Å; A139-T142 PolarHBondContact O-N 2.87Å; A139-T142 VanDerWaalsContact O-N 3.15Å; Q140-T142 PolarHBondContact O-N 3.28Å; T142-H144 PolarHBondContact O-N 2.85Å; T142-K145 PolarHBondContact O-N 3Å; T142-W146 HydrophobicContact CG2-CD2 3.92Å; T142-W146 HydrophobicContact CG2-CE3 4.45Å; T142-W146 HydrophobicContact CG2-CG 4.21Å; T142-W146 HydrophobicContact CG2-CZ2 4.04Å; T142-W146 WeakPolarHBondContact O-CB 3.39Å; T142-W146 PolarHBondContact O-N 2.89Å
143K98.6Very high98Very high43 Ų4363 Ų6319%0.18735%0.346CS..Hα-helixtrans-54-51.8175.2174.1175.6171.5-171.50111.7I123 W132 A134 A139 Q140 K145 W146 E147I123-K143 HydrophobicContact CD1-CB 3.85Å; W132-K143 HydrophobicContact CB-CD 4.12Å; W132-K143 HydrophobicContact CB-CG 3.98Å; A134-K143 HydrophobicContact CB-CB 4.32Å; A134-K143 HydrophobicContact CB-CD 4.2Å; A139-K143 PolarHBondContact O-N 2.83Å; Q140-K143 WeakPolarHBondContact O-CB 3.41Å; Q140-K143 PolarHBondContact O-N 2.76Å; K143-K145 VanDerWaalsContact C-N 3.32Å; K143-K145 PolarHBondContact O-N 2.88Å; K143-W146 PolarHBondContact O-N 2.88Å; K143-E147 WeakPolarHBondContact CE-OE1 3.47Å; K143-E147 HydrophobicContact CG-CG 4.3Å; K143-E147 IonicContact NZ-OE1 3.37Å; K143-E147 WeakPolarHBondContact O-CB 3.36Å; K143-E147 WeakPolarHBondContact O-CG 3.03Å; K143-E147 PolarHBondContact O-N 2.94Å
144H98.4Very high97.9Very high115 Ų11566.3 Ų66.353%0.53236%0.356SS..Hα-helixtrans-60.3-40.5179.2-70.3-51.2000112.8Q140 T142 E147 A148Q140-H144 PolarHBondContact O-CD2 2.8Å; Q140-H144 PolarHBondContact O-N 2.83Å; T142-H144 PolarHBondContact O-N 2.85Å; H144-E147 IonicContact ND1-OE2 3.38Å; H144-A148 WeakPolarHBondContact O-CB 3.4Å; H144-A148 PolarHBondContact O-N 2.89Å
145K97.9Very high97.9Very high118 Ų11866.6 Ų66.651%0.51336%0.355SS..Hα-helixtrans-62.8-44.3175.5-72.6178176.8-175.40111.9Y83 T141 T142 K143 A149Y83-K145 PolarHBondContact OH-NZ 2.98Å; T141-K145 WeakPolarHBondContact O-CG 3.41Å; T141-K145 PolarHBondContact O-N 3.23Å; T142-K145 PolarHBondContact O-N 3Å; K143-K145 VanDerWaalsContact C-N 3.32Å; K143-K145 PolarHBondContact O-N 2.88Å; K145-A149 VanDerWaalsContact O-CB 3.32Å; K145-A149 WeakPolarHBondContact O-CB 3.44Å; K145-A149 PolarHBondContact O-N 3.45Å
146W98.3Very high97.9Very high55 Ų5567.6 Ų67.621%0.20835%0.346CS..Hα-helixtrans-72.2-34.6-178.5-76.111.5000113H113 Y115 I123 W132 T142 K143 A149 H150 V151H113-W146 AromaticContact CE1-CH2 3.95Å; H113-W146 AromaticContact CE1-CZ3 3.98Å; Y115-W146 AromaticContact CD2-CH2 3.85Å; Y115-W146 HydrophobicContact CD2-CH2 3.85Å; Y115-W146 AromaticContact CE2-CH2 3.57Å; Y115-W146 HydrophobicContact CE2-CH2 3.57Å; Y115-W146 HydrophobicContact CE2-CZ2 4.39Å; Y115-W146 HydrophobicContact CE2-CZ3 4.47Å; I123-W146 HydrophobicContact CD1-CE3 4.09Å; I123-W146 HydrophobicContact CD1-CZ3 4.35Å; I123-W146 HydrophobicContact CG2-CH2 4.12Å; I123-W146 HydrophobicContact CG2-CZ3 3.88Å; W132-W146 HydrophobicContact CD2-CE3 4.07Å; W132-W146 AromaticContact CE2-CE3 3.85Å; W132-W146 AromaticContact CE3-CE3 3.88Å; W132-W146 HydrophobicContact CE3-CE3 3.88Å; W132-W146 HydrophobicContact CE3-CZ3 4Å; W132-W146 HydrophobicContact CH2-CD2 4.43Å; W132-W146 AromaticContact CH2-CE3 3.24Å; W132-W146 HydrophobicContact CH2-CE3 3.24Å; W132-W146 AromaticContact CH2-CZ3 3.32Å; W132-W146 HydrophobicContact CH2-CZ3 3.32Å; W132-W146 HydrophobicContact CZ2-CD2 4.39Å; W132-W146 AromaticContact CZ2-CE3 3.46Å; W132-W146 HydrophobicContact CZ2-CE3 3.46Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.46Å; W132-W146 HydrophobicContact CZ2-CZ3 4.05Å; W132-W146 AromaticContact CZ3-CE3 3.49Å; W132-W146 HydrophobicContact CZ3-CE3 3.49Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.49Å; W132-W146 AromaticContact CZ3-CZ3 3.31Å; W132-W146 HydrophobicContact CZ3-CZ3 3.31Å; T142-W146 HydrophobicContact CG2-CD2 3.92Å; T142-W146 HydrophobicContact CG2-CE3 4.45Å; T142-W146 HydrophobicContact CG2-CG 4.21Å; T142-W146 HydrophobicContact CG2-CZ2 4.04Å; T142-W146 WeakPolarHBondContact O-CB 3.39Å; T142-W146 PolarHBondContact O-N 2.89Å; K143-W146 PolarHBondContact O-N 2.88Å; W146-A149 CarbonylContact O-C 3.58Å; W146-A149 PolarHBondContact O-N 2.83Å; W146-H150 PolarHBondContact O-N 2.97Å; W146-H150 VanDerWaalsContact O-N 3.1Å; W146-V151 HydrophobicContact CB-CB 4.01Å; W146-V151 HydrophobicContact CB-CG2 3.94Å; W146-V151 HydrophobicContact CD2-CG1 4.28Å; W146-V151 HydrophobicContact CE3-CG1 4.47Å; W146-V151 HydrophobicContact CG-CB 4.18Å; W146-V151 HydrophobicContact CG-CG1 4.4Å; W146-V151 HydrophobicContact CG-CG2 3.93Å; W146-V151 PolarHBondContact O-N 2.9Å
147E98.4Very high97.9Very high74 Ų7468 Ų6835%0.34636%0.358SS..Hα-helixtrans-65.5-47.8172.1-73.6174.3162.900110.9K143 H144 A149 H150K143-E147 WeakPolarHBondContact CE-OE1 3.47Å; K143-E147 HydrophobicContact CG-CG 4.3Å; K143-E147 IonicContact NZ-OE1 3.37Å; K143-E147 WeakPolarHBondContact O-CB 3.36Å; K143-E147 WeakPolarHBondContact O-CG 3.03Å; K143-E147 PolarHBondContact O-N 2.94Å; H144-E147 IonicContact ND1-OE2 3.38Å; E147-A149 PolarHBondContact O-N 2.85Å; E147-H150 PolarHBondContact O-N 3.25Å; E147-H150 VanDerWaalsContact O-N 3.08Å
148A98.3Very high98Very high81 Ų8163.6 Ų63.667%0.66933%0.333SS*.Hα-helixtrans-62.4-30.5177.100000113.1H144H144-A148 WeakPolarHBondContact O-CB 3.4Å; H144-A148 PolarHBondContact O-N 2.89Å
149A98Very high98.1Very high58 Ų5863.1 Ų63.148%0.47933%0.329SS..THydrogen-bonded Turntrans-92.36.2177.400000113.8K145 W146 E147 V151K145-A149 VanDerWaalsContact O-CB 3.32Å; K145-A149 WeakPolarHBondContact O-CB 3.44Å; K145-A149 PolarHBondContact O-N 3.45Å; W146-A149 CarbonylContact O-C 3.58Å; W146-A149 PolarHBondContact O-N 2.83Å; E147-A149 PolarHBondContact O-N 2.85Å; A149-V151 HydrophobicContact CB-CG2 4Å; A149-V151 PolarHBondContact O-N 2.84Å; A149-V151 VanDerWaalsContact O-N 3.16Å
150H97.4Very high98.1Very high109 Ų10966.7 Ų66.751%0.50535%0.345SS..THydrogen-bonded Turntrans53.234.1179.8-63.4-93000114.2W146 E147 A152 E153W146-H150 PolarHBondContact O-N 2.97Å; W146-H150 VanDerWaalsContact O-N 3.1Å; E147-H150 PolarHBondContact O-N 3.25Å; E147-H150 VanDerWaalsContact O-N 3.08Å; H150-A152 PolarHBondContact O-N 2.99Å; H150-E153 HydrophobicContact CB-CG 4.48Å; H150-E153 IonicContact CE1-OE1 2.73Å; H150-E153 IonicContact CG-OE1 2.83Å; H150-E153 IonicContact ND1-OE1 3.7Å; H150-E153 PolarHBondContact ND1-OE1 3.48Å; H150-E153 PolarHBondContact O-N 3.08Å; H150-E153 VanDerWaalsContact O-N 3.11Å
151V98.3Very high98.1Very high28 Ų2865.1 Ų65.117%0.1735%0.345CS..Hα-helixtrans-60.4-33.3-175175.90000111.9W132 W146 A149 E153 Q154 L155W132-V151 HydrophobicContact CZ2-CB 4.35Å; W132-V151 HydrophobicContact CZ2-CG1 4.12Å; W146-V151 HydrophobicContact CB-CB 4.01Å; W146-V151 HydrophobicContact CB-CG2 3.94Å; W146-V151 HydrophobicContact CD2-CG1 4.28Å; W146-V151 HydrophobicContact CE3-CG1 4.47Å; W146-V151 HydrophobicContact CG-CB 4.18Å; W146-V151 HydrophobicContact CG-CG1 4.4Å; W146-V151 HydrophobicContact CG-CG2 3.93Å; W146-V151 PolarHBondContact O-N 2.9Å; A149-V151 HydrophobicContact CB-CG2 4Å; A149-V151 PolarHBondContact O-N 2.84Å; A149-V151 VanDerWaalsContact O-N 3.16Å; V151-E153 VanDerWaalsContact C-N 3.28Å; V151-E153 PolarHBondContact O-N 2.94Å; V151-Q154 PolarHBondContact O-N 2.72Å; V151-L155 HydrophobicContact CG1-CD1 3.86Å; V151-L155 HydrophobicContact CG1-CG 4.22Å; V151-L155 WeakPolarHBondContact O-CG 3.42Å; V151-L155 PolarHBondContact O-N 3.46Å; V151-L155 VanDerWaalsContact O-N 3.11Å
152A98.4Very high98.1Very high9 Ų964.9 Ų64.97%0.07434%0.343CS..Hα-helixtrans-60.5-35.917900000112.5L125 W132 H150 L155 R156L125-A152 HydrophobicContact CD1-CB 4.06Å; W132-A152 HydrophobicContact CZ2-CB 4.22Å; H150-A152 PolarHBondContact O-N 2.99Å; A152-L155 PolarHBondContact O-N 3.12Å; A152-R156 VanDerWaalsContact O-CB 3.23Å; A152-R156 WeakPolarHBondContact O-CB 3.32Å; A152-R156 PolarHBondContact O-N 2.89Å
153E97.8Very high98.1Very high124 Ų12464.2 Ų64.258%0.57934%0.339SS*.Hα-helixtrans-66.5-42.2-179.7-64.6174.5-157.400111.6H150 V151 R156 A157H150-E153 HydrophobicContact CB-CG 4.48Å; H150-E153 IonicContact CE1-OE1 2.73Å; H150-E153 IonicContact CG-OE1 2.83Å; H150-E153 IonicContact ND1-OE1 3.7Å; H150-E153 PolarHBondContact ND1-OE1 3.48Å; H150-E153 PolarHBondContact O-N 3.08Å; H150-E153 VanDerWaalsContact O-N 3.11Å; V151-E153 VanDerWaalsContact C-N 3.28Å; V151-E153 PolarHBondContact O-N 2.94Å; E153-R156 PolarHBondContact O-N 3.15Å; E153-A157 PolarHBondContact O-N 3.24Å
154Q96.9Very high98.1Very high141 Ų14162.5 Ų62.566%0.65933%0.332SS*.Hα-helixtrans-64.5-44.3176.4-63.4-179.8-7.400111.6V151 A157 Y158V151-Q154 PolarHBondContact O-N 2.72Å; Q154-A157 PolarHBondContact O-N 3.21Å; Q154-Y158 PolarHBondContact O-N 3.17Å; Q154-Y158 VanDerWaalsContact O-N 3.15Å
155L98.1Very high98.1Very high23 Ų2363 Ų6312%0.1234%0.335CS..Hα-helixtrans-65.4-41.8177.8-69173.8000111.5H113 L125 W132 V151 A152 A157 Y158 L159H113-L155 HydrophobicContact CB-CD1 4.31Å; L125-L155 HydrophobicContact CD2-CB 4.37Å; W132-L155 HydrophobicContact CH2-CD1 3.41Å; W132-L155 VanDerWaalsContact CH2-CD1 3.41Å; W132-L155 HydrophobicContact CZ2-CD1 3.88Å; V151-L155 HydrophobicContact CG1-CD1 3.86Å; V151-L155 HydrophobicContact CG1-CG 4.22Å; V151-L155 WeakPolarHBondContact O-CG 3.42Å; V151-L155 PolarHBondContact O-N 3.46Å; V151-L155 VanDerWaalsContact O-N 3.11Å; A152-L155 PolarHBondContact O-N 3.12Å; L155-A157 PolarHBondContact O-N 3.01Å; L155-Y158 PolarHBondContact O-N 3.48Å; L155-L159 WeakPolarHBondContact O-CB 3.44Å; L155-L159 WeakPolarHBondContact O-CG 3.33Å; L155-L159 PolarHBondContact O-N 2.8Å
156R98.4Very high98.1Very high79 Ų7960.4 Ų60.430%0.29832%0.322SS..Hα-helixtrans-59-46.5176-176.9174.5-179.8-138.8-16.4111.6L129 R130 A152 E153 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.12Å; L129-R156 HydrophobicContact CB-CG 3.92Å; L129-R156 HydrophobicContact CD1-CG 4.08Å; R130-R156 VanDerWaalsContact NH2-NH1 3.19Å; A152-R156 VanDerWaalsContact O-CB 3.23Å; A152-R156 WeakPolarHBondContact O-CB 3.32Å; A152-R156 PolarHBondContact O-N 2.89Å; E153-R156 PolarHBondContact O-N 3.15Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 3.14Å; R156-L159 PolarHBondContact O-N 3.28Å; R156-E160 HydrophobicContact CG-CG 4.14Å; R156-E160 IonicContact CZ-OE1 3.91Å; R156-E160 IonicContact CZ-OE2 3.43Å; R156-E160 IonicContact NE-OE1 2.93Å; R156-E160 PolarHBondContact NE-OE1 3.16Å; R156-E160 IonicContact NE-OE2 2.78Å; R156-E160 PolarHBondContact NE-OE2 3.05Å; R156-E160 IonicContact NH2-OE1 3.74Å; R156-E160 PolarHBondContact NH2-OE1 2.94Å; R156-E160 VanDerWaalsContact NH2-OE1 3.16Å; R156-E160 IonicContact NH2-OE2 3.16Å; R156-E160 PolarHBondContact NH2-OE2 3.29Å; R156-E160 WeakPolarHBondContact O-CB 3.36Å; R156-E160 PolarHBondContact O-N 3.13Å
157A98.3Very high98.1Very high68 Ų6857.8 Ų57.856%0.56231%0.312SS*.Hα-helixtrans-59-41.9177.100000112.3E153 Q154 L155 G161E153-A157 PolarHBondContact O-N 3.24Å; Q154-A157 PolarHBondContact O-N 3.21Å; L155-A157 PolarHBondContact O-N 3.01Å; A157-G161 PolarHBondContact O-N 3.24Å
158Y98.1Very high98Very high65 Ų6559.7 Ų59.726%0.25532%0.316SS..Iπ-helixtrans-66.1-47.1174.7171.2-97.4000112.5Y98 Q154 L155 R156 T162 C163Y98-Y158 AromaticContact CD2-CE1 3.94Å; Y98-Y158 HydrophobicContact CD2-CE1 3.94Å; Y98-Y158 AromaticContact CE2-CE1 3.85Å; Y98-Y158 HydrophobicContact CE2-CE1 3.85Å; Q154-Y158 PolarHBondContact O-N 3.17Å; Q154-Y158 VanDerWaalsContact O-N 3.15Å; L155-Y158 PolarHBondContact O-N 3.48Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 3.14Å; Y158-T162 HydrophobicContact CD2-CG2 4.05Å; Y158-T162 HydrophobicContact CE2-CG2 3.94Å; Y158-T162 PolarHBondContact O-N 3.47Å; Y158-C163 HydrophobicContact CD1-CB 4.34Å; Y158-C163 HydrophobicContact CE1-CB 3.93Å; Y158-C163 WeakPolarHBondContact O-CB 3.17Å; Y158-C163 PolarHBondContact O-N 3.09Å
159L98.6Very high98Very high2 Ų261.7 Ų61.71%0.0131%0.306CS..Iπ-helixtrans-69.8-41.8-173.5-70.7171.4000112.6G99 F108 L125 L129 L155 R156G99-L159 VanDerWaalsContact O-CD2 3.24Å; G99-L159 WeakPolarHBondContact O-CD2 3.46Å; F108-L159 HydrophobicContact CE2-CB 4.48Å; F108-L159 WeakPolarHBondContact CE2-O 3.44Å; L125-L159 HydrophobicContact CD2-CD1 3.97Å; L129-L159 HydrophobicContact CD2-CD1 4.17Å; L155-L159 WeakPolarHBondContact O-CB 3.44Å; L155-L159 WeakPolarHBondContact O-CG 3.33Å; L155-L159 PolarHBondContact O-N 2.8Å; R156-L159 PolarHBondContact O-N 3.28Å
160E98.3Very high98Very high75 Ų7559 Ų5935%0.3528%0.284SS..Iπ-helixtrans-78.7-25.5178.9-67.5-178.3175.800112.5F108 L129 R156F108-E160 HydrophobicContact CD1-CG 4.1Å; F108-E160 HydrophobicContact CD2-CG 4.49Å; F108-E160 HydrophobicContact CE1-CG 3.93Å; F108-E160 HydrophobicContact CE2-CG 4.34Å; F108-E160 HydrophobicContact CG-CG 4.36Å; F108-E160 HydrophobicContact CZ-CG 4.06Å; L129-E160 HydrophobicContact CD1-CG 3.97Å; R156-E160 HydrophobicContact CG-CG 4.14Å; R156-E160 IonicContact CZ-OE1 3.91Å; R156-E160 IonicContact CZ-OE2 3.43Å; R156-E160 IonicContact NE-OE1 2.93Å; R156-E160 PolarHBondContact NE-OE1 3.16Å; R156-E160 IonicContact NE-OE2 2.78Å; R156-E160 PolarHBondContact NE-OE2 3.05Å; R156-E160 IonicContact NH2-OE1 3.74Å; R156-E160 PolarHBondContact NH2-OE1 2.94Å; R156-E160 VanDerWaalsContact NH2-OE1 3.16Å; R156-E160 IonicContact NH2-OE2 3.16Å; R156-E160 PolarHBondContact NH2-OE2 3.29Å; R156-E160 WeakPolarHBondContact O-CB 3.36Å; R156-E160 PolarHBondContact O-N 3.13Å
161G98Very high97.9Very high25 Ų2553.8 Ų53.826%0.25826%0.26SS..Iπ-helixtrans-107.9-92.7-177.300000112.9A157 C163 V164 E165A157-G161 PolarHBondContact O-N 3.24Å; G161-C163 VanDerWaalsContact C-N 3.28Å; G161-C163 PolarHBondContact O-N 3.16Å; G161-C163 VanDerWaalsContact O-N 3.15Å; G161-V164 WeakPolarHBondContact O-CB 3Å; G161-V164 PolarHBondContact O-N 2.98Å; G161-E165 PolarHBondContact O-N 3.28Å
162T97.9Very high97.8Very high56 Ų5658.6 Ų58.634%0.34428%0.28SS..Iπ-helixtrans-53.7-39.3-170.4-55.90000113.7Y158 E165 W166Y158-T162 HydrophobicContact CD2-CG2 4.05Å; Y158-T162 HydrophobicContact CE2-CG2 3.94Å; Y158-T162 PolarHBondContact O-N 3.47Å; T162-E165 PolarHBondContact O-N 2.87Å; T162-W166 PolarHBondContact O-N 2.94Å
163C98.5Very high97.7Very high0 Ų060.4 Ų60.40%029%0.289CS..Hα-helixtrans-61-46.1177.2-175.50000111.6M4 C100 Y158 G161 W166 L167M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 VanDerWaalsContact CE-O 3.25Å; M4-C163 WeakPolarHBondContact CE-O 3.4Å; M4-C163 WeakPolarHBondContact CE-SG 3.33Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.41Å; C100-C163 PolarHBondContact N-SG 3.16Å; C100-C163 VanDerWaalsContact N-SG 3.37Å; C100-C163 WeakPolarHBondContact SG-CB 3.47Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.2Å; Y158-C163 HydrophobicContact CD1-CB 4.34Å; Y158-C163 HydrophobicContact CE1-CB 3.93Å; Y158-C163 WeakPolarHBondContact O-CB 3.17Å; Y158-C163 PolarHBondContact O-N 3.09Å; G161-C163 VanDerWaalsContact C-N 3.28Å; G161-C163 PolarHBondContact O-N 3.16Å; G161-C163 VanDerWaalsContact O-N 3.15Å; C163-W166 PolarHBondContact O-N 3.18Å; C163-L167 WeakPolarHBondContact O-CB 3.48Å; C163-L167 PolarHBondContact O-N 2.92Å
164V98.4Very high97.7Very high7 Ų754.6 Ų54.64%0.04226%0.262CS..Hα-helixtrans-66-40.5178.6173.70000111.1V102 F108 G161 L167 R168V102-V164 HydrophobicContact CG1-CB 4.37Å; V102-V164 HydrophobicContact CG1-CG1 3.85Å; V102-V164 HydrophobicContact CG1-CG2 3.99Å; F108-V164 HydrophobicContact CB-CG2 4.12Å; F108-V164 HydrophobicContact CD2-CG2 3.76Å; F108-V164 HydrophobicContact CG-CG2 4.43Å; G161-V164 WeakPolarHBondContact O-CB 3Å; G161-V164 PolarHBondContact O-N 2.98Å; V164-L167 PolarHBondContact O-N 3.34Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.39Å; V164-R168 PolarHBondContact O-N 2.93Å
165E98Very high97.6Very high127 Ų12753.1 Ų53.159%0.59325%0.254SS*.Hα-helixtrans-61.1-47.4176.6-69.3174.3168.800111.9G161 T162 R168 R169G161-E165 PolarHBondContact O-N 3.28Å; T162-E165 PolarHBondContact O-N 2.87Å; E165-R168 PolarHBondContact O-N 3.24Å; E165-R169 PolarHBondContact O-N 3.48Å
166W98Very high97.3Very high63 Ų6360.6 Ų60.624%0.23929%0.288CS..Hα-helixtrans-64.6-43.8176.2-81111.5000112.3M4 Y58 T162 C163 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.01Å; M4-W166 HydrophobicContact SD-CB 4.33Å; Y58-W166 AromaticContact CD2-CH2 3.57Å; Y58-W166 HydrophobicContact CD2-CH2 3.57Å; Y58-W166 HydrophobicContact CD2-CZ2 4.36Å; Y58-W166 AromaticContact CD2-CZ3 3.79Å; Y58-W166 HydrophobicContact CD2-CZ3 3.79Å; Y58-W166 HydrophobicContact CE2-CE3 4.26Å; Y58-W166 AromaticContact CE2-CH2 3.83Å; Y58-W166 HydrophobicContact CE2-CH2 3.83Å; Y58-W166 HydrophobicContact CE2-CZ2 4.49Å; Y58-W166 AromaticContact CE2-CZ3 3.68Å; Y58-W166 HydrophobicContact CE2-CZ3 3.68Å; T162-W166 PolarHBondContact O-N 2.94Å; C163-W166 PolarHBondContact O-N 3.18Å; W166-R168 VanDerWaalsContact C-N 3.31Å; W166-R168 PolarHBondContact O-N 3.16Å; W166-R169 PolarHBondContact O-N 2.81Å; W166-Y170 HydrophobicContact CB-CE2 4.06Å; W166-Y170 HydrophobicContact CE3-CD1 4.39Å; W166-Y170 AromaticContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE1 3.47Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE2 4.44Å; W166-Y170 AromaticContact CE3-CZ 3.5Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.5Å; W166-Y170 VanDerWaalsContact CE3-OH 3.31Å; W166-Y170 AromaticContact CZ3-CE1 3.93Å; W166-Y170 HydrophobicContact CZ3-CE1 3.93Å; W166-Y170 WeakPolarHBondContact O-CD2 3.41Å; W166-Y170 PolarHBondContact O-N 2.86Å
167L98.4Very high97.1Very high0 Ų059 Ų590%029%0.287CS..Hα-helixtrans-58.8-43.7177.517751.2000111.4H2 M4 V27 V102 C163 V164 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.49Å; M4-L167 HydrophobicContact CB-CB 4.14Å; M4-L167 HydrophobicContact CB-CD1 4.01Å; M4-L167 HydrophobicContact CB-CD2 4.17Å; M4-L167 HydrophobicContact CB-CG 4.32Å; V27-L167 HydrophobicContact CG1-CD1 3.65Å; V27-L167 HydrophobicContact CG2-CD1 4.26Å; V102-L167 HydrophobicContact CB-CD2 4.42Å; V102-L167 HydrophobicContact CG1-CD2 3.97Å; V102-L167 HydrophobicContact CG2-CD2 3.71Å; V102-L167 HydrophobicContact CG2-CG 4.29Å; C163-L167 WeakPolarHBondContact O-CB 3.48Å; C163-L167 PolarHBondContact O-N 2.92Å; V164-L167 PolarHBondContact O-N 3.34Å; L167-Y170 PolarHBondContact O-N 2.88Å; L167-L171 HydrophobicContact CD1-CD1 3.45Å; L167-L171 VanDerWaalsContact CD1-CD1 3.45Å; L167-L171 HydrophobicContact CD1-CG 3.94Å; L167-L171 HydrophobicContact CG-CD1 3.76Å; L167-L171 WeakPolarHBondContact O-CB 3.48Å; L167-L171 WeakPolarHBondContact O-CD1 3.48Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 3.12Å
168R97Very high96.9Very high113 Ų11356 Ų5643%0.42626%0.261SS..Hα-helixtrans-60.8-45.9174.7-73174-177-1781.8112.1W106 V164 E165 W166 Y170 L171 E172W106-R168 HydrophobicContact CE3-CG 4.01Å; W106-R168 PolarHBondContact O-NE 3.45Å; W106-R168 PolarHBondContact O-NH2 3.33Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.39Å; V164-R168 PolarHBondContact O-N 2.93Å; E165-R168 PolarHBondContact O-N 3.24Å; W166-R168 VanDerWaalsContact C-N 3.31Å; W166-R168 PolarHBondContact O-N 3.16Å; R168-Y170 VanDerWaalsContact C-N 3.35Å; R168-Y170 PolarHBondContact O-N 2.9Å; R168-L171 PolarHBondContact O-N 3.26Å; R168-E172 PolarHBondContact O-N 3.5Å
169R97.1Very high96.6Very high124 Ų12456.1 Ų56.147%0.46826%0.264SS..Hα-helixtrans-59.3-45.6176.7179.6178.3174.4117.7-4.8111.4E54 E165 W166 E172 N173E54-R169 IonicContact OE1-CZ 3.68Å; E54-R169 IonicContact OE1-NE 3.37Å; E54-R169 PolarHBondContact OE1-NE 2.93Å; E54-R169 IonicContact OE1-NH2 3.16Å; E54-R169 PolarHBondContact OE1-NH2 2.97Å; E54-R169 IonicContact OE2-CZ 3.5Å; E54-R169 IonicContact OE2-NE 3.91Å; E54-R169 IonicContact OE2-NH2 2.72Å; E54-R169 PolarHBondContact OE2-NH2 3.45Å; E165-R169 PolarHBondContact O-N 3.48Å; W166-R169 PolarHBondContact O-N 2.81Å; R169-E172 PolarHBondContact O-N 2.88Å; R169-N173 VanDerWaalsContact O-CB 3.27Å; R169-N173 WeakPolarHBondContact O-CB 3.28Å; R169-N173 PolarHBondContact O-N 3.42Å; R169-N173 PolarHBondContact O-OD1 3.11Å
170Y97.8Very high96.4Very high1 Ų159.8 Ų59.80%0.00428%0.278CS..Hα-helixtrans-66.2-37.9179.1-61.7-24.7000112.7M4 V27 F32 W50 I51 Y58 W166 L167 R168 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.77Å; M4-Y170 HydrophobicContact SD-CE2 3.5Å; M4-Y170 VanDerWaalsContact SD-CE2 3.5Å; V27-Y170 HydrophobicContact CG2-CD2 3.96Å; F32-Y170 HydrophobicContact CD2-CE2 4.5Å; F32-Y170 HydrophobicContact CE2-CD2 4.26Å; F32-Y170 AromaticContact CE2-CE2 3.68Å; F32-Y170 HydrophobicContact CE2-CE2 3.68Å; F32-Y170 AromaticContact CE2-CZ 4Å; F32-Y170 HydrophobicContact CZ-CD2 4.29Å; F32-Y170 AromaticContact CZ-CE2 3.78Å; F32-Y170 HydrophobicContact CZ-CE2 3.78Å; W50-Y170 HydrophobicContact CH2-CG 4.28Å; W50-Y170 AromaticContact CZ3-CD1 3.94Å; W50-Y170 HydrophobicContact CZ3-CD1 3.94Å; W50-Y170 AromaticContact CZ3-CG 3.79Å; W50-Y170 HydrophobicContact CZ3-CG 3.79Å; I51-Y170 HydrophobicContact CD1-CD1 3.66Å; I51-Y170 HydrophobicContact CD1-CE1 3.32Å; Y58-Y170 HydrophobicContact CE2-CE1 4.37Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.47Å; Y58-Y170 PolarHBondContact OH-OH 2.89Å; W166-Y170 HydrophobicContact CB-CE2 4.06Å; W166-Y170 HydrophobicContact CE3-CD1 4.39Å; W166-Y170 AromaticContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE1 3.47Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE2 4.44Å; W166-Y170 AromaticContact CE3-CZ 3.5Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.5Å; W166-Y170 VanDerWaalsContact CE3-OH 3.31Å; W166-Y170 AromaticContact CZ3-CE1 3.93Å; W166-Y170 HydrophobicContact CZ3-CE1 3.93Å; W166-Y170 WeakPolarHBondContact O-CD2 3.41Å; W166-Y170 PolarHBondContact O-N 2.86Å; L167-Y170 PolarHBondContact O-N 2.88Å; R168-Y170 VanDerWaalsContact C-N 3.35Å; R168-Y170 PolarHBondContact O-N 2.9Å; Y170-E172 VanDerWaalsContact C-N 3.33Å; Y170-E172 PolarHBondContact O-N 3.24Å; Y170-N173 PolarHBondContact O-N 2.85Å; Y170-G174 PolarHBondContact O-N 3.03Å; Y170-L178 WeakPolarHBondContact O-CD1 3.38Å
171L96.6Very high96.3Very high0 Ų059 Ų590%028%0.278CS..Hα-helixtrans-68.8-30.5176.4-75.9162.9000113.1H2 V27 W106 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.43Å; H2-L171 VanDerWaalsContact CB-CD1 3.43Å; H2-L171 HydrophobicContact CB-CD2 4.26Å; H2-L171 HydrophobicContact CB-CG 4.49Å; V27-L171 HydrophobicContact CG1-CD2 4.01Å; V27-L171 HydrophobicContact CG1-CG 4.23Å; W106-L171 HydrophobicContact CE3-CD1 4.38Å; W106-L171 HydrophobicContact CH2-CB 4.04Å; W106-L171 HydrophobicContact CH2-CD1 4.11Å; W106-L171 HydrophobicContact CZ3-CB 3.85Å; W106-L171 HydrophobicContact CZ3-CD1 3.42Å; W106-L171 VanDerWaalsContact CZ3-CD1 3.42Å; W106-L171 HydrophobicContact CZ3-CG 4.22Å; L167-L171 HydrophobicContact CD1-CD1 3.45Å; L167-L171 VanDerWaalsContact CD1-CD1 3.45Å; L167-L171 HydrophobicContact CD1-CG 3.94Å; L167-L171 HydrophobicContact CG-CD1 3.76Å; L167-L171 WeakPolarHBondContact O-CB 3.48Å; L167-L171 WeakPolarHBondContact O-CD1 3.48Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 3.12Å; R168-L171 PolarHBondContact O-N 3.26Å; L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.17Å; L171-K175 WeakPolarHBondContact O-CB 3.31Å; L171-K175 PolarHBondContact O-N 3.07Å; L171-K175 VanDerWaalsContact O-N 3.16Å; L171-L178 HydrophobicContact CD2-CB 3.84Å; L171-L178 HydrophobicContact CD2-CD1 4.08Å; L171-Q179 HydrophobicContact CD2-CG 4.32Å; L171-Q179 PolarHBondContact O-NE2 3.27Å
172E96.1Very high96.3Very high128 Ų12860.3 Ų60.360%0.59828%0.28SS*.Hα-helixtrans-72.3-50170.9-170.760.7-150.600110.7R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 3.5Å; R169-E172 PolarHBondContact O-N 2.88Å; Y170-E172 VanDerWaalsContact C-N 3.33Å; Y170-E172 PolarHBondContact O-N 3.24Å; E172-G174 VanDerWaalsContact C-N 3.3Å; E172-G174 PolarHBondContact O-N 3.24Å; E172-K175 WeakPolarHBondContact O-CB 3.39Å; E172-K175 PolarHBondContact O-N 3.04Å
173N96.6Very high96.3Very high48 Ų4860 Ų6026%0.25728%0.282SS..Hα-helixtrans-57.2-41.6178.4-78.85.2000112.9W50 Q53 E54 R169 Y170W50-N173 WeakPolarHBondContact CB-O 3.47Å; Q53-N173 PolarHBondContact NE2-ND2 3.22Å; E54-N173 PolarHBondContact OE1-ND2 2.87Å; E54-N173 VanDerWaalsContact OE1-ND2 3.14Å; R169-N173 VanDerWaalsContact O-CB 3.27Å; R169-N173 WeakPolarHBondContact O-CB 3.28Å; R169-N173 PolarHBondContact O-N 3.42Å; R169-N173 PolarHBondContact O-OD1 3.11Å; Y170-N173 PolarHBondContact O-N 2.85Å
174G96.2Very high96.3Very high2 Ų260.4 Ų60.42%0.02129%0.285CS..THydrogen-bonded Turntrans-10419.6-176.300000113.9W50 Y170 E172 E176 T177 L178W50-G174 VanDerWaalsContact CG-CA 3.49Å; Y170-G174 PolarHBondContact O-N 3.03Å; E172-G174 VanDerWaalsContact C-N 3.3Å; E172-G174 PolarHBondContact O-N 3.24Å; G174-E176 VanDerWaalsContact C-N 3.29Å; G174-E176 PolarHBondContact O-N 2.63Å; G174-E176 VanDerWaalsContact O-N 3.15Å; G174-T177 PolarHBondContact O-N 3.26Å; G174-L178 WeakPolarHBondContact O-CB 3.26Å; G174-L178 PolarHBondContact O-N 3.15Å
175K94.8Very high96.2Very high110 Ų11066.8 Ų66.848%0.47831%0.312SS..Hα-helixtrans-48.4-45.9-171.5-177.3174.2-176.5175.10114L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.17Å; L171-K175 WeakPolarHBondContact O-CB 3.31Å; L171-K175 PolarHBondContact O-N 3.07Å; L171-K175 VanDerWaalsContact O-N 3.16Å; E172-K175 WeakPolarHBondContact O-CB 3.39Å; E172-K175 PolarHBondContact O-N 3.04Å; K175-T177 PolarHBondContact O-N 2.71Å; K175-Q179 WeakPolarHBondContact O-CB 3.25Å; K175-Q179 PolarHBondContact O-N 3.15Å; K175-Q179 VanDerWaalsContact O-N 3.14Å
176E93.2Very high96.2Very high180 Ų18062.5 Ų62.584%0.84130%0.295SS*.Hα-helixtrans-65.3-24.4-179.5-63.2-175.4167.800113.8G174G174-E176 VanDerWaalsContact C-N 3.29Å; G174-E176 PolarHBondContact O-N 2.63Å; G174-E176 VanDerWaalsContact O-N 3.15Å
177T93.1Very high96.1Very high46 Ų4663.4 Ų63.428%0.28230%0.301SS..Hα-helixtrans-102.4-43.2-178.4-54.30000112.3G174 K175 R180G174-T177 PolarHBondContact O-N 3.26Å; K175-T177 PolarHBondContact O-N 2.71Å; T177-R180 WeakPolarHBondContact O-CD 3.38Å; T177-R180 VanDerWaalsContact O-CG 3.29Å; T177-R180 WeakPolarHBondContact O-CG 3.01Å
178L94.1Very high95.9Very high4 Ų465.1 Ų65.12%0.02131%0.31CS..Hα-helixtrans-84-29.5-172-63.1172.2000112.8V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.27Å; V27-L178 HydrophobicContact CB-CD2 4.14Å; V27-L178 HydrophobicContact CG1-CD1 3.9Å; V27-L178 HydrophobicContact CG1-CD2 4.13Å; T30-L178 HydrophobicContact CG2-CD2 4.04Å; W50-L178 HydrophobicContact CD2-CD1 4.4Å; W50-L178 HydrophobicContact CH2-CD1 4.26Å; W50-L178 HydrophobicContact CZ2-CD1 3.8Å; W50-L178 HydrophobicContact CZ2-CD2 4.02Å; W50-L178 HydrophobicContact CZ2-CG 4.3Å; Y170-L178 WeakPolarHBondContact O-CD1 3.38Å; L171-L178 HydrophobicContact CD2-CB 3.84Å; L171-L178 HydrophobicContact CD2-CD1 4.08Å; G174-L178 WeakPolarHBondContact O-CB 3.26Å; G174-L178 PolarHBondContact O-N 3.15Å
179Q92.9Very high95.8Very high68 Ų6861.3 Ų61.332%0.31830%0.299SS..SBendtrans-104.213.7179.2-54.3-179.738.500112.1L171 K175L171-Q179 HydrophobicContact CD2-CG 4.32Å; L171-Q179 PolarHBondContact O-NE2 3.27Å; K175-Q179 WeakPolarHBondContact O-CB 3.25Å; K175-Q179 PolarHBondContact O-N 3.15Å; K175-Q179 VanDerWaalsContact O-N 3.14Å
180R94.6Very high95.7Very high78 Ų7858.6 Ų58.629%0.29429%0.292SS..  trans-77.3159.1171.681.3-171.8172.5-175.12.9110.1T177 D182 Y208T177-R180 WeakPolarHBondContact O-CD 3.38Å; T177-R180 VanDerWaalsContact O-CG 3.29Å; T177-R180 WeakPolarHBondContact O-CG 3.01Å; R180-D182 IonicContact CZ-OD2 3.57Å; R180-D182 IonicContact NE-OD2 3.87Å; R180-D182 PolarHBondContact NE-OD2 3.32Å; R180-Y208 HydrophobicContact CG-CD1 3.82Å; R180-Y208 HydrophobicContact CG-CE1 4.27Å; R180-Y208 WeakPolarHBondContact O-CD1 3.32Å
181T95.7Very high95.4Very high58 Ų5862.8 Ų62.836%0.35631%0.311SS..  trans-137.5116.4170.9-350000108.9Y208 E263T181-Y208 WeakPolarHBondContact CA-O 3.28Å; T181-Y208 WeakPolarHBondContact CG2-O 3.33Å; T181-E263 HydrophobicContact CG2-CB 4.04Å; T181-E263 HydrophobicContact CG2-CG 4.12Å
182D96.8Very high95.2Very high54 Ų5466.6 Ų66.629%0.28934%0.342SS..BIsolated β-bridgetrans-105.1115.1-177.8-61.9-37.2000108.4R180 F207 Y208 H262R180-D182 IonicContact CZ-OD2 3.57Å; R180-D182 IonicContact NE-OD2 3.87Å; R180-D182 PolarHBondContact NE-OD2 3.32Å; D182-F207 VanDerWaalsContact O-CA 3.31Å; D182-F207 WeakPolarHBondContact O-CA 3.31Å; D182-F207 WeakPolarHBondContact O-CB 3.34Å; D182-Y208 PolarHBondContact N-O 2.8Å; D182-Y208 PolarHBondContact O-N 2.92Å; D182-H262 PolarHBondContact O-CE1 2.82Å
183A97.9Very high94.8Very high48 Ų4864.9 Ų64.940%0.39734%0.341SS..  trans-65.6140.418000000111.6K185 G264 L265A183-K185 PolarHBondContact O-N 3.42Å; A183-G264 WeakPolarHBondContact CB-O 3.34Å; A183-L265 HydrophobicContact CB-CD2 4.01Å
184P98.3Very high94.5Very high9 Ų965.1 Ų65.16%0.05835%0.346CS..  trans-64.6131179.226.8-34.8000112T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.1Å; P184-T186 HydrophobicContact CG-CG2 4.3Å; P184-T186 PolarHBondContact O-N 2.89Å; P184-A204 HydrophobicContact CB-CB 3.89Å; P184-F207 HydrophobicContact CB-CB 3.83Å; P184-F207 HydrophobicContact CB-CD1 3.99Å; P184-F207 HydrophobicContact CB-CG 4.16Å; P184-I212 HydrophobicContact CB-CD1 4.08Å; P184-I212 HydrophobicContact CG-CD1 4.12Å; P184-V260 HydrophobicContact CG-CG1 4Å; P184-H262 HydrophobicContact CG-CB 4.13Å; P184-L265 HydrophobicContact CG-CD1 3.88Å; P184-L265 HydrophobicContact CG-CD2 4.4Å; P184-L265 HydrophobicContact CG-CG 4.19Å
185K98Very high94.1Very high141 Ų14172.3 Ų72.361%0.61338%0.384SS*.EExtended strand (participates in β ladder)trans-76.3110.1164.3-65177-174.1168.90107.7A183 L205A183-K185 PolarHBondContact O-N 3.42Å; K185-L205 HydrophobicContact CB-CB 4.49Å; K185-L205 PolarHBondContact N-O 2.98Å; K185-L205 PolarHBondContact O-N 3.16Å
186T97.4Very high93.9Very high38 Ų3873.9 Ų73.923%0.23339%0.393CS..EExtended strand (participates in β ladder)trans-106.3144.4-175.157.60000112.1P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.1Å; P184-T186 HydrophobicContact CG-CG2 4.3Å; P184-T186 PolarHBondContact O-N 2.89Å; T186-W203 WeakPolarHBondContact CA-O 3.05Å; T186-W203 WeakPolarHBondContact CB-O 3.37Å; T186-A204 HydrophobicContact CG2-CB 4.39Å; T186-V260 HydrophobicContact CG2-CG1 4.33Å; T186-V260 HydrophobicContact CG2-CG2 4.15Å; T186-L269 HydrophobicContact CG2-CD1 4.43Å; T186-L271 HydrophobicContact CG2-CD1 4.07Å
187H95Very high94Very high81 Ų8169.7 Ų69.738%0.37537%0.373SS..EExtended strand (participates in β ladder)trans-155.5164.5170.769.5-77.5000110.1W203H187-W203 AromaticContact CD2-CD1 3.94Å; H187-W203 WeakPolarHBondContact CE1-CB 3.43Å; H187-W203 AromaticContact CE1-CD1 3.73Å; H187-W203 AromaticContact CE1-CG 3.45Å; H187-W203 VanDerWaalsContact CE1-CG 3.45Å; H187-W203 PolarHBondContact N-O 3.01Å; H187-W203 AromaticContact NE2-CD1 3.39Å; H187-W203 AromaticContact NE2-CG 3.61Å; H187-W203 AromaticContact NE2-NE1 3.94Å; H187-W203 PolarHBondContact O-N 3.5Å
188M95.5Very high94Very high36 Ų3667.5 Ų67.518%0.17736%0.36CS..EExtended strand (participates in β ladder)trans-113.1143.3174.6-78.8-16716600111.4R201 C202 W216 C258 L271 W273M188-R201 WeakPolarHBondContact CA-O 3.42Å; M188-C202 HydrophobicContact CE-CB 4.49Å; M188-W216 HydrophobicContact CE-CH2 3.15Å; M188-W216 HydrophobicContact CE-CZ2 3.96Å; M188-W216 HydrophobicContact CE-CZ3 3.58Å; M188-W216 HydrophobicContact SD-CH2 4.11Å; M188-C258 HydrophobicContact CE-CB 3.46Å; M188-C258 VanDerWaalsContact CE-CB 3.46Å; M188-L271 HydrophobicContact CE-CB 3.87Å; M188-L271 WeakPolarHBondContact CE-O 3.22Å; M188-W273 WeakPolarHBondContact SD-CA 3.37Å; M188-W273 HydrophobicContact SD-CB 3.78Å; M188-W273 PolarHBondContact SD-N 3.34Å
189T94.6Very high94.2Very high34 Ų3468.4 Ų68.421%0.20937%0.366CS..EExtended strand (participates in β ladder)trans-119.1142.1170.650.40000109.1R201 W203T189-R201 PolarHBondContact N-O 3.36Å; T189-R201 PolarHBondContact O-N 2.75Å; T189-R201 WeakPolarHBondContact OG1-CB 3.45Å; T189-R201 PolarHBondContact OG1-O 2.81Å; T189-W203 PolarHBondContact OG1-NE1 3.33Å
190H94.2Very high94.3Very high67 Ų6765.2 Ų65.231%0.3135%0.351SS..EExtended strand (participates in β ladder)trans-120.9127178.1165.2-77.7000108.7A198 L200 W273H190-A198 WeakPolarHBondContact NE2-CB 3.34Å; H190-L200 HydrophobicContact CB-CD2 3.99Å; H190-W273 HydrophobicContact CB-CZ2 4.18Å; H190-W273 AromaticContact CD2-CZ2 3.98Å; H190-W273 AromaticContact CG-CE2 3.99Å; H190-W273 AromaticContact CG-CZ2 3.98Å; H190-W273 AromaticContact CG-NE1 3.97Å
191H92.9Very high94.5Very high89 Ų8963.9 Ų63.941%0.41235%0.346SS..EExtended strand (participates in β ladder)trans-126.8112.3178.9-59.1-75.4000109.1V193 A198 T199 R201H191-V193 PolarHBondContact O-N 2.92Å; H191-A198 CarbonylContact O-C 3.55Å; H191-A198 WeakPolarHBondContact O-CA 3.24Å; H191-T199 PolarHBondContact N-O 2.91Å; H191-T199 PolarHBondContact O-N 3.42Å; H191-R201 PolarHBondContact CD2-NH1 3.04Å; H191-R201 VanDerWaalsContact CD2-NH1 3.32Å; H191-R201 PolarHBondContact NE2-NH1 2.91Å
192A91.3Very high94.6Very high79 Ų7961.1 Ų61.165%0.65333%0.329SS*.EExtended strand (participates in β ladder)trans-64.3127.7172.500000109.4
193V88.4Confident94.7Very high92 Ų9260.7 Ų60.756%0.55832%0.323SS*.  trans-98.8-41.3176.8-179.10000109.5H191 E197 T199H191-V193 PolarHBondContact O-N 2.92Å; V193-E197 PolarHBondContact N-O 2.89Å; V193-T199 VanDerWaalsContact CG2-OG1 3.32Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.32Å
194S89.6Confident94.7Very high53 Ų5358.4 Ų58.437%0.37130%0.304SS..SBendtrans-149.2-178174.3710000110.3H196 E197S194-H196 PolarHBondContact O-N 2.98Å; S194-H196 PolarHBondContact OG-N 2.74Å; S194-E197 PolarHBondContact N-O 3.42Å; S194-E197 VanDerWaalsContact O-O 3.08Å; S194-E197 PolarHBondContact OG-N 2.81Å
195D87.3Confident94.7Very high153 Ų15360.3 Ų60.382%0.81831%0.313SS*.SBendtrans-66.1-10.1172.4-65.1-23.5000113.4
196H91.8Very high94.7Very high143 Ų14355.5 Ų55.566%0.66230%0.298SS*.SBendtrans-115.8-14.7-176.1-56.9-42.6000113.4S194 P249 S250S194-H196 PolarHBondContact O-N 2.98Å; S194-H196 PolarHBondContact OG-N 2.74Å; H196-P249 CarbonylContact O-C 3.59Å; H196-P249 WeakPolarHBondContact O-CA 3.47Å; H196-S250 PolarHBondContact O-N 3.44Å; H196-S250 PolarHBondContact O-OG 3.43Å
197E94.3Very high94.7Very high92 Ų9253.7 Ų53.743%0.4329%0.287SS..EExtended strand (participates in β ladder)trans-143.8143-171.4-66.4179.7176.600112.2V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 2.89Å; S194-E197 PolarHBondContact N-O 3.42Å; S194-E197 VanDerWaalsContact O-O 3.08Å; S194-E197 PolarHBondContact OG-N 2.81Å; E197-V247 HydrophobicContact CB-CG1 4.15Å; E197-V247 HydrophobicContact CG-CG1 4.36Å; E197-V248 WeakPolarHBondContact CA-O 3.42Å; E197-S250 PolarHBondContact N-OG 3.1Å
198A94.4Very high94.8Very high0 Ų050 Ų500%027%0.27CS..EExtended strand (participates in β ladder)trans-130.6154.1171.200000110.5H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.34Å; H191-A198 CarbonylContact O-C 3.55Å; H191-A198 WeakPolarHBondContact O-CA 3.24Å; A198-V247 WeakPolarHBondContact O-CA 3.39Å; A198-V248 HydrophobicContact CB-CG2 4.31Å; A198-V248 PolarHBondContact N-O 3.33Å; A198-V248 WeakPolarHBondContact O-CG2 3.17Å; A198-V248 PolarHBondContact O-N 3.16Å
199T96.3Very high94.8Very high24 Ų2449.3 Ų49.315%0.14727%0.268CS..EExtended strand (participates in β ladder)trans-96.8121.5167.7-58.10000108.8H191 V193 A245 V246H191-T199 PolarHBondContact N-O 2.91Å; H191-T199 PolarHBondContact O-N 3.42Å; V193-T199 VanDerWaalsContact CG2-OG1 3.32Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.32Å; T199-A245 HydrophobicContact CG2-CB 3.93Å; T199-V246 WeakPolarHBondContact CA-O 3.36Å
200L96.9Very high95Very high0 Ų048.4 Ų48.40%026%0.264CS..EExtended strand (participates in β ladder)trans-94.1128.2165.4-64.5-178000108.8H190 W216 A245 V246 V248 E253 W273H190-L200 HydrophobicContact CB-CD2 3.99Å; L200-W216 HydrophobicContact CB-CH2 3.58Å; L200-W216 HydrophobicContact CB-CZ2 3.91Å; L200-W216 HydrophobicContact CB-CZ3 4.46Å; L200-W216 HydrophobicContact CD1-CH2 4.06Å; L200-W216 HydrophobicContact CD1-CZ3 4.27Å; L200-W216 HydrophobicContact CG-CH2 4.49Å; L200-A245 CarbonylContact O-C 3.58Å; L200-A245 WeakPolarHBondContact O-CA 3.11Å; L200-V246 HydrophobicContact CB-CG1 4.36Å; L200-V246 PolarHBondContact N-O 2.82Å; L200-V246 PolarHBondContact O-N 3.23Å; L200-V248 HydrophobicContact CD1-CG1 3.97Å; L200-V248 HydrophobicContact CD1-CG2 4.02Å; L200-V248 HydrophobicContact CG-CG1 4.17Å; L200-V248 HydrophobicContact CG-CG2 3.83Å; L200-E253 HydrophobicContact CD1-CB 4.05Å; L200-E253 HydrophobicContact CD1-CG 4.4Å; L200-E253 HydrophobicContact CD2-CG 4.3Å; L200-W273 HydrophobicContact CD1-CB 4.22Å; L200-W273 HydrophobicContact CD2-CB 3.95Å; L200-W273 HydrophobicContact CD2-CD2 4.33Å; L200-W273 HydrophobicContact CD2-CG 3.78Å
201R97.6Very high95.1Very high50 Ų5052.1 Ų52.119%0.18928%0.281CS..EExtended strand (participates in β ladder)trans-123.5122.4175.7179.8-175-58.7113.5-0.3110.5M188 T189 H191 W203 W243 A244 A245M188-R201 WeakPolarHBondContact CA-O 3.42Å; T189-R201 PolarHBondContact N-O 3.36Å; T189-R201 PolarHBondContact O-N 2.75Å; T189-R201 WeakPolarHBondContact OG1-CB 3.45Å; T189-R201 PolarHBondContact OG1-O 2.81Å; H191-R201 PolarHBondContact CD2-NH1 3.04Å; H191-R201 VanDerWaalsContact CD2-NH1 3.32Å; H191-R201 PolarHBondContact NE2-NH1 2.91Å; R201-W203 HydrophobicContact CG-CZ2 4.43Å; R201-W243 HydrophobicContact CG-CB 4.01Å; R201-W243 HydrophobicContact CG-CD2 4.12Å; R201-W243 HydrophobicContact CG-CE3 3.87Å; R201-W243 HydrophobicContact CG-CG 4.23Å; R201-A244 WeakPolarHBondContact CA-O 3.35Å; R201-A245 HydrophobicContact CB-CB 3.92Å; R201-A245 HydrophobicContact CG-CB 4.08Å
202C97.9Very high95.3Very high0 Ų048.4 Ų48.40%027%0.265CS..EExtended strand (participates in β ladder)trans-94.6122.5176.7-176.80000109.4M188 W216 W243 A244 C258M188-C202 HydrophobicContact CE-CB 4.49Å; C202-W216 HydrophobicContact CB-CZ2 3.74Å; C202-W243 CarbonylContact O-C 3.59Å; C202-W243 WeakPolarHBondContact O-CA 3.49Å; C202-W243 VanDerWaalsContact O-CB 3.23Å; C202-W243 WeakPolarHBondContact O-CB 3.34Å; C202-A244 PolarHBondContact N-O 3.2Å; C202-A244 PolarHBondContact O-N 3.43Å; C202-C258 HydrophobicContact CB-CB 3.51Å; C202-C258 WeakPolarHBondContact CB-SG 3.34Å; C202-C258 WeakPolarHBondContact SG-CB 3.3Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 2.75Å
203W98.3Very high95.6Very high45 Ų4547.4 Ų47.417%0.1725%0.25CS..EExtended strand (participates in β ladder)trans-106.7141-179.1-6989.3000110.8T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.05Å; T186-W203 WeakPolarHBondContact CB-O 3.37Å; H187-W203 AromaticContact CD2-CD1 3.94Å; H187-W203 WeakPolarHBondContact CE1-CB 3.43Å; H187-W203 AromaticContact CE1-CD1 3.73Å; H187-W203 AromaticContact CE1-CG 3.45Å; H187-W203 VanDerWaalsContact CE1-CG 3.45Å; H187-W203 PolarHBondContact N-O 3.01Å; H187-W203 AromaticContact NE2-CD1 3.39Å; H187-W203 AromaticContact NE2-CG 3.61Å; H187-W203 AromaticContact NE2-NE1 3.94Å; H187-W203 PolarHBondContact O-N 3.5Å; T189-W203 PolarHBondContact OG1-NE1 3.33Å; R201-W203 HydrophobicContact CG-CZ2 4.43Å; W203-L205 HydrophobicContact CE3-CD2 3.93Å; W203-L205 HydrophobicContact CZ3-CD2 4.49Å; W203-W243 HydrophobicContact CD2-CB 3.91Å; W203-W243 HydrophobicContact CD2-CG 4.41Å; W203-W243 HydrophobicContact CE3-CB 3.83Å; W203-W243 AromaticContact CE3-CD1 3.83Å; W203-W243 HydrophobicContact CE3-CG 4.13Å; W203-W243 HydrophobicContact CG-CB 4.33Å; W203-W243 AromaticContact CH2-CD1 3.63Å; W203-W243 HydrophobicContact CH2-CG 4.24Å; W203-W243 HydrophobicContact CZ3-CB 4.27Å; W203-W243 AromaticContact CZ3-CD1 3.37Å; W203-W243 HydrophobicContact CZ3-CG 4.06Å
204A98.4Very high96.1Very high0 Ų043.4 Ų43.40%023%0.226CC..EExtended strand (participates in β ladder)trans-123.4121.4163.200000107.8P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.89Å; T186-A204 HydrophobicContact CG2-CB 4.39Å; A204-F207 HydrophobicContact CB-CD1 4.1Å; A204-F207 HydrophobicContact CB-CE1 3.89Å; A204-F207 WeakPolarHBondContact O-CE1 3.2Å; A204-I212 HydrophobicContact CB-CD1 3.69Å; A204-L214 HydrophobicContact CB-CD1 4.12Å; A204-L214 HydrophobicContact CB-CD2 4.28Å; A204-Q241 CarbonylContact O-C 3.55Å; A204-Q241 VanDerWaalsContact O-CA 3.28Å; A204-Q241 WeakPolarHBondContact O-CA 3.43Å; A204-K242 PolarHBondContact N-O 2.73Å; A204-K242 PolarHBondContact O-N 2.84Å; A204-K242 VanDerWaalsContact O-O 3.09Å
205L98.3Very high96.5Very high49 Ų4942.7 Ų42.726%0.25722%0.219SC..EExtended strand (participates in β ladder)trans-127.3155.3-175.5-59.2179.6000111.1K185 W203 F207 Q241K185-L205 HydrophobicContact CB-CB 4.49Å; K185-L205 PolarHBondContact N-O 2.98Å; K185-L205 PolarHBondContact O-N 3.16Å; W203-L205 HydrophobicContact CE3-CD2 3.93Å; W203-L205 HydrophobicContact CZ3-CD2 4.49Å; L205-F207 VanDerWaalsContact C-N 3.32Å; L205-F207 PolarHBondContact O-N 3.33Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å
206S97.6Very high97Very high41 Ų4135.5 Ų35.529%0.28718%0.181SC..EExtended strand (participates in β ladder)trans54.143.5171-55.40000113.8F240S206-F240 PolarHBondContact N-O 2.91Å
207F98Very high97.2Very high0 Ų030.8 Ų30.80%016%0.159CC..EExtended strand (participates in β ladder)trans-109.2158.317761.2-90000112.5D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 VanDerWaalsContact O-CA 3.31Å; D182-F207 WeakPolarHBondContact O-CA 3.31Å; D182-F207 WeakPolarHBondContact O-CB 3.34Å; P184-F207 HydrophobicContact CB-CB 3.83Å; P184-F207 HydrophobicContact CB-CD1 3.99Å; P184-F207 HydrophobicContact CB-CG 4.16Å; A204-F207 HydrophobicContact CB-CD1 4.1Å; A204-F207 HydrophobicContact CB-CE1 3.89Å; A204-F207 WeakPolarHBondContact O-CE1 3.2Å; L205-F207 VanDerWaalsContact C-N 3.32Å; L205-F207 PolarHBondContact O-N 3.33Å; F207-P209 VanDerWaalsContact CD2-O 3.27Å; F207-P209 WeakPolarHBondContact CD2-O 3.39Å; F207-I212 HydrophobicContact CD1-CD1 3.97Å; F207-I212 HydrophobicContact CD2-CB 4.31Å; F207-I212 HydrophobicContact CD2-CD1 4.01Å; F207-I212 HydrophobicContact CE1-CD1 3.85Å; F207-I212 HydrophobicContact CE1-CG2 4.42Å; F207-I212 HydrophobicContact CE2-CB 3.73Å; F207-I212 HydrophobicContact CE2-CD1 3.93Å; F207-I212 HydrophobicContact CE2-CG1 4.41Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 4.06Å; F207-I212 HydrophobicContact CZ-CB 4.09Å; F207-I212 HydrophobicContact CZ-CD1 3.86Å; F207-I212 HydrophobicContact CZ-CG2 3.5Å; F207-T232 HydrophobicContact CE2-CG2 4.12Å; F207-T232 HydrophobicContact CZ-CG2 3.86Å; F207-T239 CarbonylContact O-C 3.59Å; F207-T239 WeakPolarHBondContact O-CA 3.42Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.44Å; F207-F240 HydrophobicContact CD2-CB 3.95Å; F207-F240 HydrophobicContact CE1-CB 4.19Å; F207-F240 WeakPolarHBondContact CE1-O 3.44Å; F207-F240 HydrophobicContact CE2-CB 3.49Å; F207-F240 VanDerWaalsContact CE2-CB 3.49Å; F207-F240 HydrophobicContact CE2-CG 4.46Å; F207-F240 HydrophobicContact CG-CB 4.45Å; F207-F240 HydrophobicContact CZ-CB 3.6Å; F207-F240 PolarHBondContact N-O 2.67Å; F207-F240 PolarHBondContact O-N 2.89Å; F207-K242 HydrophobicContact CE1-CB 4.36Å; F207-K242 HydrophobicContact CZ-CB 4.15Å; F207-H262 AromaticContact CD2-CD2 3.8Å; F207-H262 AromaticContact CD2-NE2 3.59Å
208Y97.1Very high97.4Very high3 Ų330.1 Ų30.11%0.01215%0.152CC..BIsolated β-bridgetrans-152.2135.7173.9-178.9-85.6000109D29 T30 R180 T181 D182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 4.49Å; T30-Y208 PolarHBondContact OG1-OH 2.93Å; R180-Y208 HydrophobicContact CG-CD1 3.82Å; R180-Y208 HydrophobicContact CG-CE1 4.27Å; R180-Y208 WeakPolarHBondContact O-CD1 3.32Å; T181-Y208 WeakPolarHBondContact CA-O 3.28Å; T181-Y208 WeakPolarHBondContact CG2-O 3.33Å; D182-Y208 PolarHBondContact N-O 2.8Å; D182-Y208 PolarHBondContact O-N 2.92Å; Y208-G238 WeakPolarHBondContact CD2-O 3.39Å; Y208-F240 HydrophobicContact CD2-CD2 4.36Å; Y208-F240 AromaticContact CD2-CE2 3.89Å; Y208-F240 HydrophobicContact CD2-CE2 3.89Å; Y208-F240 HydrophobicContact CE2-CE2 4.29Å; Y208-H262 PolarHBondContact O-CE1 2.95Å
209P96.3Very high97.3Very high21 Ų2134.9 Ų34.914%0.13618%0.178CC..SBendcis-74.9-1765.232.2-37.6000114.2F207 E211 H262F207-P209 VanDerWaalsContact CD2-O 3.27Å; F207-P209 WeakPolarHBondContact CD2-O 3.39Å; P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 2.89Å; P209-H262 PolarHBondContact O-NE2 3.41Å
210A97.2Very high97.1Very high16 Ų1636 Ų3613%0.13220%0.195CC..SBendtrans-71.4-23.8-177.300000113.7D29 I212 T232 F240D29-A210 HydrophobicContact CB-CB 4.16Å; D29-A210 VanDerWaalsContact CG-CB 3.48Å; D29-A210 WeakPolarHBondContact OD2-CB 3.38Å; D29-A210 PolarHBondContact OD2-N 3.34Å; A210-I212 PolarHBondContact O-N 3.45Å; A210-T232 HydrophobicContact CB-CG2 4.28Å; A210-T232 WeakPolarHBondContact O-CG2 3.38Å; A210-F240 HydrophobicContact CB-CD1 3.73Å; A210-F240 HydrophobicContact CB-CD2 3.76Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.72Å; A210-F240 HydrophobicContact CB-CG 3.79Å; A210-F240 HydrophobicContact CB-CZ 3.72Å
211E97.1Very high97Very high145 Ų14542.2 Ų42.268%0.67822%0.223SC*.  trans-67.4112.9-178.8-171.659-14600110.7P209 H262P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 2.89Å; E211-H262 PolarHBondContact O-CD2 2.98Å; E211-H262 VanDerWaalsContact O-CD2 3.28Å
212I98Very high96.9Very high11 Ų1144.5 Ų44.56%0.05624%0.239CC..  trans-149142.7-179.5-164.1170.8000109.6P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.08Å; P184-I212 HydrophobicContact CG-CD1 4.12Å; A204-I212 HydrophobicContact CB-CD1 3.69Å; F207-I212 HydrophobicContact CD1-CD1 3.97Å; F207-I212 HydrophobicContact CD2-CB 4.31Å; F207-I212 HydrophobicContact CD2-CD1 4.01Å; F207-I212 HydrophobicContact CE1-CD1 3.85Å; F207-I212 HydrophobicContact CE1-CG2 4.42Å; F207-I212 HydrophobicContact CE2-CB 3.73Å; F207-I212 HydrophobicContact CE2-CD1 3.93Å; F207-I212 HydrophobicContact CE2-CG1 4.41Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 4.06Å; F207-I212 HydrophobicContact CZ-CB 4.09Å; F207-I212 HydrophobicContact CZ-CD1 3.86Å; F207-I212 HydrophobicContact CZ-CG2 3.5Å; A210-I212 PolarHBondContact O-N 3.45Å; I212-L214 HydrophobicContact CB-CD1 4.5Å; I212-L214 HydrophobicContact CD1-CD1 3.7Å; I212-L214 HydrophobicContact CG1-CD1 3.66Å; I212-L214 HydrophobicContact CG2-CD1 4.12Å; I212-K242 HydrophobicContact CG2-CB 4.22Å; I212-K242 HydrophobicContact CG2-CD 3.54Å; I212-V260 HydrophobicContact CD1-CG1 3.94Å; I212-V260 HydrophobicContact CG1-CG1 4.29Å; I212-Q261 VanDerWaalsContact CG1-O 3.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.05Å; I212-H262 HydrophobicContact CD1-CB 4.28Å; I212-H262 HydrophobicContact CG1-CB 4.05Å
213T97.9Very high96.8Very high58 Ų5845.1 Ų45.136%0.35624%0.242SC..EExtended strand (participates in β ladder)trans-113.9124.3174.2-61.80000110.2T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 3.99Å; T213-V260 WeakPolarHBondContact O-CA 3.35Å; T213-Q261 PolarHBondContact N-O 3.45Å; T213-Q261 PolarHBondContact O-N 3.2Å
214L97.9Very high96.3Very high7 Ų747.9 Ų47.94%0.03726%0.264CS..EExtended strand (participates in β ladder)trans-118122172.8-8761.5000108.3A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.12Å; A204-L214 HydrophobicContact CB-CD2 4.28Å; I212-L214 HydrophobicContact CB-CD1 4.5Å; I212-L214 HydrophobicContact CD1-CD1 3.7Å; I212-L214 HydrophobicContact CG1-CD1 3.66Å; I212-L214 HydrophobicContact CG2-CD1 4.12Å; L214-L229 HydrophobicContact CB-CD1 4.11Å; L214-K242 HydrophobicContact CD1-CD 4.24Å; L214-K242 HydrophobicContact CD2-CB 4.35Å; L214-K242 HydrophobicContact CD2-CD 4.48Å; L214-K242 HydrophobicContact CD2-CG 4.36Å; L214-A244 HydrophobicContact CB-CB 4.05Å; L214-A244 HydrophobicContact CD2-CB 4.26Å; L214-H259 WeakPolarHBondContact CA-O 3.33Å; L214-V260 HydrophobicContact CD1-CG1 4.05Å; L214-V260 HydrophobicContact CG-CG2 4.31Å
215T97.3Very high95.9Very high39 Ų3957 Ų5724%0.23931%0.307CS..EExtended strand (participates in β ladder)trans-130.7149.8175.859.10000111.5T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 3.99Å; T215-C258 CarbonylContact O-C 3.53Å; T215-C258 WeakPolarHBondContact O-CA 3.34Å; T215-H259 PolarHBondContact N-O 3Å; T215-H259 PolarHBondContact O-N 3.18Å
216W97.8Very high95.3Very high2 Ų260 Ų601%0.00832%0.323CS..EExtended strand (participates in β ladder)trans-105.4137.8171-82.4102.2000110.2M188 L200 C202 Q223 A244 V246 T257 C258M188-W216 HydrophobicContact CE-CH2 3.15Å; M188-W216 HydrophobicContact CE-CZ2 3.96Å; M188-W216 HydrophobicContact CE-CZ3 3.58Å; M188-W216 HydrophobicContact SD-CH2 4.11Å; L200-W216 HydrophobicContact CB-CH2 3.58Å; L200-W216 HydrophobicContact CB-CZ2 3.91Å; L200-W216 HydrophobicContact CB-CZ3 4.46Å; L200-W216 HydrophobicContact CD1-CH2 4.06Å; L200-W216 HydrophobicContact CD1-CZ3 4.27Å; L200-W216 HydrophobicContact CG-CH2 4.49Å; C202-W216 HydrophobicContact CB-CZ2 3.74Å; W216-Q223 HydrophobicContact CB-CB 4.18Å; W216-Q223 PolarHBondContact O-N 3.33Å; W216-A244 VanDerWaalsContact NE1-C 3.34Å; W216-A244 PolarHBondContact NE1-O 2.98Å; W216-V246 HydrophobicContact CD2-CB 4.34Å; W216-V246 HydrophobicContact CD2-CG1 3.59Å; W216-V246 HydrophobicContact CE3-CG1 3.85Å; W216-V246 HydrophobicContact CG-CB 4.2Å; W216-V246 HydrophobicContact CG-CG1 3.95Å; W216-V246 HydrophobicContact CH2-CG1 4.28Å; W216-V246 HydrophobicContact CZ2-CG1 4.09Å; W216-V246 HydrophobicContact CZ3-CG1 4.19Å; W216-T257 WeakPolarHBondContact CA-O 3.44Å; W216-T257 VanDerWaalsContact CE3-C 3.48Å; W216-C258 HydrophobicContact CD2-CB 4.21Å; W216-C258 HydrophobicContact CE3-CB 4.19Å; W216-C258 HydrophobicContact CH2-CB 4.18Å; W216-C258 HydrophobicContact CZ2-CB 4.17Å; W216-C258 HydrophobicContact CZ3-CB 4.16Å
217Q97.5Very high95.2Very high43 Ų4359.2 Ų59.220%0.20132%0.317CS..EExtended strand (participates in β ladder)trans-124.1147.1171.5-68.3-173.1-10.800110.3E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.55Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.49Å; Q217-D222 VanDerWaalsContact CG-OD1 3.28Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.35Å; Q217-D222 PolarHBondContact NE2-OD1 3.32Å; Q217-Y256 CarbonylContact O-C 3.51Å; Q217-Y256 VanDerWaalsContact O-CA 3.28Å; Q217-Y256 WeakPolarHBondContact O-CA 3.24Å; Q217-T257 PolarHBondContact N-O 3.36Å; Q217-T257 PolarHBondContact O-N 3.13Å; Q217-H259 PolarHBondContact OE1-NE2 3.37Å
218R96.6Very high95.1Very high79 Ų7964.6 Ų64.630%0.29834%0.342SS..EExtended strand (participates in β ladder)trans-118.5116168.7-177.9-178.767.5-163.7-5108.4G220 E221 Q223 R255 Y256R218-G220 PolarHBondContact O-N 3.44Å; R218-E221 PolarHBondContact N-O 2.84Å; R218-E221 PolarHBondContact O-N 3.14Å; R218-Q223 HydrophobicContact CB-CG 3.97Å; R218-R255 WeakPolarHBondContact CA-O 3.21Å; R218-R255 HydrophobicContact CG-CB 4.32Å; R218-Y256 HydrophobicContact CB-CD1 4.13Å; R218-Y256 HydrophobicContact CB-CE1 3.99Å; R218-Y256 WeakPolarHBondContact CD-OH 3.16Å; R218-Y256 HydrophobicContact CG-CD2 4.44Å; R218-Y256 HydrophobicContact CG-CE1 4.22Å; R218-Y256 HydrophobicContact CG-CE2 4.1Å
219D94.3Very high95.1Very high100 Ų10068.6 Ų68.654%0.53536%0.363SS..THydrogen-bonded Turntrans49.730.8-174.4-53.7-47.9000114.1R255D219-R255 PolarHBondContact N-O 2.04Å; D219-R255 IonicContact OD1-NE 3.51Å; D219-R255 IonicContact OD2-CZ 3.07Å; D219-R255 IonicContact OD2-NE 2.77Å; D219-R255 PolarHBondContact OD2-NE 3.37Å; D219-R255 IonicContact OD2-NH2 2.62Å; D219-R255 PolarHBondContact OD2-NH2 2.98Å
220G91.6Very high95.1Very high48 Ų4869.2 Ų69.250%0.49537%0.366SS..THydrogen-bonded Turntrans91.4-3-177.900000115.5R218R218-G220 PolarHBondContact O-N 3.44Å
221E95.3Very high95.1Very high129 Ų12976.6 Ų76.660%0.60340%0.398SS*.EExtended strand (participates in β ladder)trans-95127.7175.5-63.5-175.9166.200111.7Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.55Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.49Å; R218-E221 PolarHBondContact N-O 2.84Å; R218-E221 PolarHBondContact O-N 3.14Å; E221-Q223 PolarHBondContact O-NE2 2.94Å
222D95.3Very high95.2Very high99 Ų9971.8 Ų71.853%0.52938%0.379SS..EExtended strand (participates in β ladder)trans-61.6137-180-69.2-25.2000112.6Q217Q217-D222 VanDerWaalsContact CG-OD1 3.28Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.35Å; Q217-D222 PolarHBondContact NE2-OD1 3.32Å
223Q94.8Very high95.1Very high12 Ų1275.7 Ų75.76%0.05639%0.393CS..  trans-110.433.8-177.2-58.2-60.8-74.100112.6W216 R218 E221 Q225 D226 T227 Y256W216-Q223 HydrophobicContact CB-CB 4.18Å; W216-Q223 PolarHBondContact O-N 3.33Å; R218-Q223 HydrophobicContact CB-CG 3.97Å; E221-Q223 PolarHBondContact O-NE2 2.94Å; Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.44Å; Q223-D226 PolarHBondContact O-N 3.38Å; Q223-D226 VanDerWaalsContact O-N 3.16Å; Q223-T227 WeakPolarHBondContact O-CB 3.34Å; Q223-T227 PolarHBondContact O-N 3.01Å; Q223-T227 VanDerWaalsContact O-N 3.14Å; Q223-T227 PolarHBondContact O-OG1 2.91Å; Q223-Y256 HydrophobicContact CG-CE1 4.38Å
224T88.6Confident95.1Very high104 Ų10477.4 Ų77.464%0.63841%0.405SS*.THydrogen-bonded Turntrans-57.4-35.4-169.7-49.90000114.2
225Q88.9Confident95Very high191 Ų19179.4 Ų79.489%0.89342%0.422SS*.THydrogen-bonded Turntrans-75.5-30.7-179-66.6-173.95.500113.2Q223 T227Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.44Å; Q225-T227 VanDerWaalsContact C-N 3.35Å
226D87.2Confident94.8Very high112 Ų11281.2 Ų81.260%0.59945%0.448SS*.THydrogen-bonded Turntrans-94.92.2-177.7-57.5-47.4000112.2Q223Q223-D226 PolarHBondContact O-N 3.38Å; Q223-D226 VanDerWaalsContact O-N 3.16Å
227T94.4Very high94.6Very high24 Ų2486.1 Ų86.115%0.14748%0.475CS..EExtended strand (participates in β ladder)trans-96.3121.7-178.6-64.10000110.8Q223 Q225 L229 A244 A245Q223-T227 WeakPolarHBondContact O-CB 3.34Å; Q223-T227 PolarHBondContact O-N 3.01Å; Q223-T227 VanDerWaalsContact O-N 3.14Å; Q223-T227 PolarHBondContact O-OG1 2.91Å; Q225-T227 VanDerWaalsContact C-N 3.35Å; T227-L229 HydrophobicContact CG2-CB 4.36Å; T227-L229 PolarHBondContact O-N 3.15Å; T227-A244 HydrophobicContact CG2-CB 3.98Å; T227-A245 CarbonylContact C-O 3.51Å; T227-A245 VanDerWaalsContact CA-O 3.31Å; T227-A245 WeakPolarHBondContact CA-O 3.49Å
228E96.4Very high94.3Very high113 Ų11386 Ų8653%0.52849%0.485SS..EExtended strand (participates in β ladder)trans-78105.9163.8-173-174.6-171.100108.9W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.19Å; E228-W243 HydrophobicContact CG-CH2 3.84Å; E228-W243 HydrophobicContact CG-CZ3 3.8Å; E228-W243 WeakPolarHBondContact O-CZ3 3.44Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.36Å; E228-A244 CarbonylContact O-C 3.54Å; E228-A244 WeakPolarHBondContact O-CA 3.17Å; E228-A245 HydrophobicContact CB-CB 4.38Å; E228-A245 PolarHBondContact N-O 3.22Å; E228-A245 PolarHBondContact O-N 3.5Å
229L96.8Very high94.3Very high87 Ų8782.9 Ų82.946%0.45548%0.475SS..EExtended strand (participates in β ladder)trans-111.5120.7178.7-174.968.3000110L214 T227 A244L214-L229 HydrophobicContact CB-CD1 4.11Å; T227-L229 HydrophobicContact CG2-CB 4.36Å; T227-L229 PolarHBondContact O-N 3.15Å; L229-A244 HydrophobicContact CD1-CB 3.63Å
230V96.9Very high94.5Very high34 Ų3479.2 Ų79.221%0.20645%0.454CS..PPolyproline II helixtrans-84.8152.6173.9-65.30000112.1K242 W243V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 VanDerWaalsContact O-CE 3.3Å; V230-K242 WeakPolarHBondContact O-CE 3.23Å; V230-K242 WeakPolarHBondContact O-CG 3.49Å; V230-K242 PolarHBondContact O-NZ 3.27Å; V230-W243 HydrophobicContact CB-CD2 4.5Å; V230-W243 HydrophobicContact CB-CZ2 4.38Å; V230-W243 HydrophobicContact CG1-CD2 3.99Å; V230-W243 HydrophobicContact CG1-CE3 4.33Å; V230-W243 HydrophobicContact CG1-CH2 3.59Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.14Å; V230-W243 HydrophobicContact CG2-CD2 3.75Å; V230-W243 HydrophobicContact CG2-CE3 4.48Å; V230-W243 HydrophobicContact CG2-CG 3.73Å; V230-W243 HydrophobicContact CG2-CZ2 4.38Å; V230-W243 WeakPolarHBondContact CG2-O 3.41Å; V230-W243 PolarHBondContact N-O 2.87Å
231E96.9Very high94.8Very high171 Ų17179 Ų7980%0.79944%0.441SS*.PPolyproline II helixtrans-57.9150.1167-66.9-173.5163.800111.2R233E231-R233 PolarHBondContact O-N 2.9Å
232T97.9Very high95Very high45 Ų4573.9 Ų73.928%0.27642%0.416SS..PPolyproline II helixtrans-68.1130.3174.7-56.30000108.5F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.12Å; F207-T232 HydrophobicContact CZ-CG2 3.86Å; A210-T232 HydrophobicContact CB-CG2 4.28Å; A210-T232 WeakPolarHBondContact O-CG2 3.38Å; T232-F240 HydrophobicContact CG2-CB 3.76Å; T232-F240 HydrophobicContact CG2-CD1 3.91Å; T232-F240 HydrophobicContact CG2-CG 4.1Å; T232-K242 WeakPolarHBondContact OG1-CD 3.05Å; T232-K242 PolarHBondContact OG1-NZ 2.69Å
233R97.2Very high95.1Very high93 Ų9370.4 Ų70.435%0.35140%0.396SS..EExtended strand (participates in β ladder)trans-125.9145.5-175.268.1-168.3-178.4-161.92.1111.4E231 F240 Q241E231-R233 PolarHBondContact O-N 2.9Å; R233-F240 WeakPolarHBondContact O-CA 3.45Å; R233-Q241 HydrophobicContact CG-CG 3.54Å; R233-Q241 PolarHBondContact N-O 2.87Å; R233-Q241 WeakPolarHBondContact O-CG 3Å; R233-Q241 PolarHBondContact O-N 2.84Å
234P97.1Very high95.3Very high94 Ų9469.9 Ų69.961%0.6139%0.393SS*.EExtended strand (participates in β ladder)trans-68.2145.3177.728.5-34.5000111.1F240P234-F240 HydrophobicContact CB-CE1 4.35Å
235A96.5Very high95.7Very high48 Ų4865 Ų6540%0.39736%0.364SS..  trans-88.4-17.2172.800000112.9T239A235-T239 WeakPolarHBondContact CB-O 3.35Å; A235-T239 PolarHBondContact N-O 3.28Å
236G93.4Very high96.1Very high77 Ų7756.1 Ų56.179%0.79432%0.322SS*.SBendtrans97.8-9.2178.700000114.9
237D92.7Very high96.5Very high106 Ų10654.4 Ų54.457%0.56732%0.316SS*.SBendtrans-104.413.6176.962.4-2.4000113T239D237-T239 WeakPolarHBondContact OD1-CB 3.27Å; D237-T239 PolarHBondContact OD1-N 3.15Å; D237-T239 PolarHBondContact OD1-OG1 2.9Å
238G92.1Very high96.6Very high40 Ų4053.2 Ų53.241%0.41231%0.309SS..SBendtrans84.56.1-173.600000114.5Y208Y208-G238 WeakPolarHBondContact CD2-O 3.39Å
239T96.9Very high96.5Very high13 Ų1350 Ų508%0.0830%0.298CS..  trans-108.7172.9171.373.30000112.3F207 A235 D237F207-T239 CarbonylContact O-C 3.59Å; F207-T239 WeakPolarHBondContact O-CA 3.42Å; A235-T239 WeakPolarHBondContact CB-O 3.35Å; A235-T239 PolarHBondContact N-O 3.28Å; D237-T239 WeakPolarHBondContact OD1-CB 3.27Å; D237-T239 PolarHBondContact OD1-N 3.15Å; D237-T239 PolarHBondContact OD1-OG1 2.9Å
240F98.2Very high96.2Very high24 Ų2448.6 Ų48.611%0.10530%0.295CS..EExtended strand (participates in β ladder)trans-120.2162.6-177.7-63.1-84.4000112.4D29 S206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.83Å; D29-F240 HydrophobicContact CB-CZ 3.55Å; S206-F240 PolarHBondContact N-O 2.91Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.44Å; F207-F240 HydrophobicContact CD2-CB 3.95Å; F207-F240 HydrophobicContact CE1-CB 4.19Å; F207-F240 WeakPolarHBondContact CE1-O 3.44Å; F207-F240 HydrophobicContact CE2-CB 3.49Å; F207-F240 VanDerWaalsContact CE2-CB 3.49Å; F207-F240 HydrophobicContact CE2-CG 4.46Å; F207-F240 HydrophobicContact CG-CB 4.45Å; F207-F240 HydrophobicContact CZ-CB 3.6Å; F207-F240 PolarHBondContact N-O 2.67Å; F207-F240 PolarHBondContact O-N 2.89Å; Y208-F240 HydrophobicContact CD2-CD2 4.36Å; Y208-F240 AromaticContact CD2-CE2 3.89Å; Y208-F240 HydrophobicContact CD2-CE2 3.89Å; Y208-F240 HydrophobicContact CE2-CE2 4.29Å; A210-F240 HydrophobicContact CB-CD1 3.73Å; A210-F240 HydrophobicContact CB-CD2 3.76Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.72Å; A210-F240 HydrophobicContact CB-CG 3.79Å; A210-F240 HydrophobicContact CB-CZ 3.72Å; T232-F240 HydrophobicContact CG2-CB 3.76Å; T232-F240 HydrophobicContact CG2-CD1 3.91Å; T232-F240 HydrophobicContact CG2-CG 4.1Å; R233-F240 WeakPolarHBondContact O-CA 3.45Å; P234-F240 HydrophobicContact CB-CE1 4.35Å
241Q98.3Very high95.8Very high44 Ų4450.1 Ų50.121%0.20632%0.318CS..EExtended strand (participates in β ladder)trans-141.3147173.946.3168.6-3000110.1A204 L205 R233A204-Q241 CarbonylContact O-C 3.55Å; A204-Q241 VanDerWaalsContact O-CA 3.28Å; A204-Q241 WeakPolarHBondContact O-CA 3.43Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å; R233-Q241 HydrophobicContact CG-CG 3.54Å; R233-Q241 PolarHBondContact N-O 2.87Å; R233-Q241 WeakPolarHBondContact O-CG 3Å; R233-Q241 PolarHBondContact O-N 2.84Å
242K98.5Very high95.7Very high21 Ų2145 Ų459%0.09129%0.294CS..EExtended strand (participates in β ladder)trans-151.5154.1176.9-162.2-176.7-172.670.40109A204 F207 I212 L214 V230 T232A204-K242 PolarHBondContact N-O 2.73Å; A204-K242 PolarHBondContact O-N 2.84Å; A204-K242 VanDerWaalsContact O-O 3.09Å; F207-K242 HydrophobicContact CE1-CB 4.36Å; F207-K242 HydrophobicContact CZ-CB 4.15Å; I212-K242 HydrophobicContact CG2-CB 4.22Å; I212-K242 HydrophobicContact CG2-CD 3.54Å; L214-K242 HydrophobicContact CD1-CD 4.24Å; L214-K242 HydrophobicContact CD2-CB 4.35Å; L214-K242 HydrophobicContact CD2-CD 4.48Å; L214-K242 HydrophobicContact CD2-CG 4.36Å; V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 VanDerWaalsContact O-CE 3.3Å; V230-K242 WeakPolarHBondContact O-CE 3.23Å; V230-K242 WeakPolarHBondContact O-CG 3.49Å; V230-K242 PolarHBondContact O-NZ 3.27Å; T232-K242 WeakPolarHBondContact OG1-CD 3.05Å; T232-K242 PolarHBondContact OG1-NZ 2.69Å
243W98.2Very high95.5Very high26 Ų2643.9 Ų43.910%0.09829%0.285CS..EExtended strand (participates in β ladder)trans-143.8157.3169.559.2-98.3000111.4R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 4.01Å; R201-W243 HydrophobicContact CG-CD2 4.12Å; R201-W243 HydrophobicContact CG-CE3 3.87Å; R201-W243 HydrophobicContact CG-CG 4.23Å; C202-W243 CarbonylContact O-C 3.59Å; C202-W243 WeakPolarHBondContact O-CA 3.49Å; C202-W243 VanDerWaalsContact O-CB 3.23Å; C202-W243 WeakPolarHBondContact O-CB 3.34Å; W203-W243 HydrophobicContact CD2-CB 3.91Å; W203-W243 HydrophobicContact CD2-CG 4.41Å; W203-W243 HydrophobicContact CE3-CB 3.83Å; W203-W243 AromaticContact CE3-CD1 3.83Å; W203-W243 HydrophobicContact CE3-CG 4.13Å; W203-W243 HydrophobicContact CG-CB 4.33Å; W203-W243 AromaticContact CH2-CD1 3.63Å; W203-W243 HydrophobicContact CH2-CG 4.24Å; W203-W243 HydrophobicContact CZ3-CB 4.27Å; W203-W243 AromaticContact CZ3-CD1 3.37Å; W203-W243 HydrophobicContact CZ3-CG 4.06Å; E228-W243 HydrophobicContact CB-CZ3 4.19Å; E228-W243 HydrophobicContact CG-CH2 3.84Å; E228-W243 HydrophobicContact CG-CZ3 3.8Å; E228-W243 WeakPolarHBondContact O-CZ3 3.44Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.36Å; V230-W243 HydrophobicContact CB-CD2 4.5Å; V230-W243 HydrophobicContact CB-CZ2 4.38Å; V230-W243 HydrophobicContact CG1-CD2 3.99Å; V230-W243 HydrophobicContact CG1-CE3 4.33Å; V230-W243 HydrophobicContact CG1-CH2 3.59Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.14Å; V230-W243 HydrophobicContact CG2-CD2 3.75Å; V230-W243 HydrophobicContact CG2-CE3 4.48Å; V230-W243 HydrophobicContact CG2-CG 3.73Å; V230-W243 HydrophobicContact CG2-CZ2 4.38Å; V230-W243 WeakPolarHBondContact CG2-O 3.41Å; V230-W243 PolarHBondContact N-O 2.87Å; W243-A245 HydrophobicContact CE3-CB 3.99Å; W243-A245 HydrophobicContact CZ3-CB 3.69Å
244A98.1Very high95.3Very high0 Ų044 Ų440%029%0.289CS..EExtended strand (participates in β ladder)trans-131131.8173.900000108.6R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.35Å; C202-A244 PolarHBondContact N-O 3.2Å; C202-A244 PolarHBondContact O-N 3.43Å; L214-A244 HydrophobicContact CB-CB 4.05Å; L214-A244 HydrophobicContact CD2-CB 4.26Å; W216-A244 VanDerWaalsContact NE1-C 3.34Å; W216-A244 PolarHBondContact NE1-O 2.98Å; T227-A244 HydrophobicContact CG2-CB 3.98Å; E228-A244 CarbonylContact O-C 3.54Å; E228-A244 WeakPolarHBondContact O-CA 3.17Å; L229-A244 HydrophobicContact CD1-CB 3.63Å
245A97.4Very high95.2Very high3 Ų344.7 Ų44.73%0.02528%0.28CS..EExtended strand (participates in β ladder)trans-123.3147.2179.600000111.9T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.93Å; L200-A245 CarbonylContact O-C 3.58Å; L200-A245 WeakPolarHBondContact O-CA 3.11Å; R201-A245 HydrophobicContact CB-CB 3.92Å; R201-A245 HydrophobicContact CG-CB 4.08Å; T227-A245 CarbonylContact C-O 3.51Å; T227-A245 VanDerWaalsContact CA-O 3.31Å; T227-A245 WeakPolarHBondContact CA-O 3.49Å; E228-A245 HydrophobicContact CB-CB 4.38Å; E228-A245 PolarHBondContact N-O 3.22Å; E228-A245 PolarHBondContact O-N 3.5Å; W243-A245 HydrophobicContact CE3-CB 3.99Å; W243-A245 HydrophobicContact CZ3-CB 3.69Å
246V97.2Very high95.2Very high3 Ų342.7 Ų42.72%0.01826%0.262CS..EExtended strand (participates in β ladder)trans-137.314217665.50000109T199 L200 W216 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.36Å; L200-V246 HydrophobicContact CB-CG1 4.36Å; L200-V246 PolarHBondContact N-O 2.82Å; L200-V246 PolarHBondContact O-N 3.23Å; W216-V246 HydrophobicContact CD2-CB 4.34Å; W216-V246 HydrophobicContact CD2-CG1 3.59Å; W216-V246 HydrophobicContact CE3-CG1 3.85Å; W216-V246 HydrophobicContact CG-CB 4.2Å; W216-V246 HydrophobicContact CG-CG1 3.95Å; W216-V246 HydrophobicContact CH2-CG1 4.28Å; W216-V246 HydrophobicContact CZ2-CG1 4.09Å; W216-V246 HydrophobicContact CZ3-CG1 4.19Å; V246-V248 HydrophobicContact CG1-CG1 3.77Å; V246-Y256 HydrophobicContact CG1-CD1 3.94Å; V246-Y256 HydrophobicContact CG1-CE1 4.36Å; V246-Y256 HydrophobicContact CG2-CD1 4.33Å; V246-Y256 HydrophobicContact CG2-CE1 3.99Å
247V96.5Very high95.4Very high76 Ų7639.5 Ų39.546%0.46123%0.228SC..EExtended strand (participates in β ladder)trans-83.6128171.5-178.40000108.2E197 A198E197-V247 HydrophobicContact CB-CG1 4.15Å; E197-V247 HydrophobicContact CG-CG1 4.36Å; A198-V247 WeakPolarHBondContact O-CA 3.39Å
248V95.6Very high95.6Very high0 Ų034.5 Ų34.50%020%0.201CC..EExtended strand (participates in β ladder)trans-125.6142.1-176.7-52.80000110.4E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.42Å; A198-V248 HydrophobicContact CB-CG2 4.31Å; A198-V248 PolarHBondContact N-O 3.33Å; A198-V248 WeakPolarHBondContact O-CG2 3.17Å; A198-V248 PolarHBondContact O-N 3.16Å; L200-V248 HydrophobicContact CD1-CG1 3.97Å; L200-V248 HydrophobicContact CD1-CG2 4.02Å; L200-V248 HydrophobicContact CG-CG1 4.17Å; L200-V248 HydrophobicContact CG-CG2 3.83Å; V246-V248 HydrophobicContact CG1-CG1 3.77Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; V248-Y256 HydrophobicContact CB-CD2 4.03Å; V248-Y256 HydrophobicContact CB-CE2 3.77Å; V248-Y256 HydrophobicContact CG1-CD1 3.72Å; V248-Y256 HydrophobicContact CG1-CD2 3.58Å; V248-Y256 HydrophobicContact CG1-CE1 3.7Å; V248-Y256 HydrophobicContact CG1-CE2 3.59Å; V248-Y256 HydrophobicContact CG1-CG 3.64Å
249P95Very high95.9Very high46 Ų4634 Ų3430%0.29919%0.188SC..EExtended strand (participates in β ladder)trans-63.4140.1169.9-20.332.3000111H196 G251 Q252H196-P249 CarbonylContact O-C 3.59Å; H196-P249 WeakPolarHBondContact O-CA 3.47Å; P249-G251 PolarHBondContact O-N 3.32Å; P249-Q252 HydrophobicContact CB-CB 4.39Å; P249-Q252 HydrophobicContact CB-CG 4.14Å; P249-Q252 WeakPolarHBondContact O-CB 3.48Å; P249-Q252 PolarHBondContact O-N 3.2Å
250S89.9Confident95.9Very high57 Ų5733.4 Ų33.440%0.39918%0.184SC..THydrogen-bonded Turntrans-56.5131.9177.1-61.80000111.4H196 E197 Q252 E253H196-S250 PolarHBondContact O-N 3.44Å; H196-S250 PolarHBondContact O-OG 3.43Å; E197-S250 PolarHBondContact N-OG 3.1Å; S250-Q252 VanDerWaalsContact C-N 3.31Å; S250-E253 WeakPolarHBondContact CA-OE1 3.44Å
251G88.9Confident95.9Very high66 Ų6637 Ų3768%0.6820%0.201SC*.THydrogen-bonded Turntrans85-3.7-17700000114.7P249 E253P249-G251 PolarHBondContact O-N 3.32Å; G251-E253 WeakPolarHBondContact CA-OE2 3.45Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.06Å; G251-E253 PolarHBondContact N-OE2 2.83Å
252Q93.5Very high95.9Very high64 Ų6435.6 Ų35.630%0.29919%0.194SC..  trans-103.85175.6-59.8-167.13900113.3P249 S250 Q254 R255 Y256P249-Q252 HydrophobicContact CB-CB 4.39Å; P249-Q252 HydrophobicContact CB-CG 4.14Å; P249-Q252 WeakPolarHBondContact O-CB 3.48Å; P249-Q252 PolarHBondContact O-N 3.2Å; S250-Q252 VanDerWaalsContact C-N 3.31Å; Q252-Q254 PolarHBondContact O-N 3.39Å; Q252-Q254 VanDerWaalsContact O-N 3.09Å; Q252-R255 WeakPolarHBondContact O-CB 3.44Å; Q252-R255 PolarHBondContact O-N 3.31Å; Q252-Y256 HydrophobicContact CB-CE2 4.43Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.3Å
253E93.3Very high95.8Very high20 Ų2041.7 Ų41.79%0.09322%0.223CC..G310 helixtrans-54.6-36.2-174.4-59.379-175.300112.1L200 V248 S250 G251 R255 Y256 W273L200-E253 HydrophobicContact CD1-CB 4.05Å; L200-E253 HydrophobicContact CD1-CG 4.4Å; L200-E253 HydrophobicContact CD2-CG 4.3Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; S250-E253 WeakPolarHBondContact CA-OE1 3.44Å; G251-E253 WeakPolarHBondContact CA-OE2 3.45Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.06Å; G251-E253 PolarHBondContact N-OE2 2.83Å; E253-R255 PolarHBondContact O-N 2.94Å; E253-Y256 PolarHBondContact O-N 3.26Å; E253-Y256 VanDerWaalsContact O-N 3.17Å; E253-W273 HydrophobicContact CB-CD2 4.23Å; E253-W273 HydrophobicContact CB-CE3 3.47Å; E253-W273 VanDerWaalsContact CB-CE3 3.47Å; E253-W273 HydrophobicContact CB-CZ3 3.96Å; E253-W273 HydrophobicContact CG-CE3 3.89Å; E253-W273 HydrophobicContact CG-CZ3 4.02Å
254Q93Very high95.6Very high95 Ų9541.5 Ų41.544%0.44423%0.229SC..G310 helixtrans-68.8-18.9-179.4-64.4-57.5-41.900114.4Q252 Y256 W273Q252-Q254 PolarHBondContact O-N 3.39Å; Q252-Q254 VanDerWaalsContact O-N 3.09Å; Q254-Y256 VanDerWaalsContact C-N 3.25Å; Q254-W273 PolarHBondContact NE2-O 2.82Å
255R95.4Very high95.6Very high109 Ų10942.7 Ų42.741%0.41124%0.235SC..G310 helixtrans-77.1-16.7175.8-62.9175.867.5-175.98.2112.1R218 D219 Q252 E253R218-R255 WeakPolarHBondContact CA-O 3.21Å; R218-R255 HydrophobicContact CG-CB 4.32Å; D219-R255 PolarHBondContact N-O 2.04Å; D219-R255 IonicContact OD1-NE 3.51Å; D219-R255 IonicContact OD2-CZ 3.07Å; D219-R255 IonicContact OD2-NE 2.77Å; D219-R255 PolarHBondContact OD2-NE 3.37Å; D219-R255 IonicContact OD2-NH2 2.62Å; D219-R255 PolarHBondContact OD2-NH2 2.98Å; Q252-R255 WeakPolarHBondContact O-CB 3.44Å; Q252-R255 PolarHBondContact O-N 3.31Å; E253-R255 PolarHBondContact O-N 2.94Å
256Y96.4Very high95.5Very high7 Ų748.9 Ų48.93%0.02728%0.275CS..EExtended strand (participates in β ladder)trans-97.3130.8-177.4-69.3-102.2000110.9Q217 R218 Q223 V246 V248 Q252 E253 Q254Q217-Y256 CarbonylContact O-C 3.51Å; Q217-Y256 VanDerWaalsContact O-CA 3.28Å; Q217-Y256 WeakPolarHBondContact O-CA 3.24Å; R218-Y256 HydrophobicContact CB-CD1 4.13Å; R218-Y256 HydrophobicContact CB-CE1 3.99Å; R218-Y256 WeakPolarHBondContact CD-OH 3.16Å; R218-Y256 HydrophobicContact CG-CD2 4.44Å; R218-Y256 HydrophobicContact CG-CE1 4.22Å; R218-Y256 HydrophobicContact CG-CE2 4.1Å; Q223-Y256 HydrophobicContact CG-CE1 4.38Å; V246-Y256 HydrophobicContact CG1-CD1 3.94Å; V246-Y256 HydrophobicContact CG1-CE1 4.36Å; V246-Y256 HydrophobicContact CG2-CD1 4.33Å; V246-Y256 HydrophobicContact CG2-CE1 3.99Å; V248-Y256 HydrophobicContact CB-CD2 4.03Å; V248-Y256 HydrophobicContact CB-CE2 3.77Å; V248-Y256 HydrophobicContact CG1-CD1 3.72Å; V248-Y256 HydrophobicContact CG1-CD2 3.58Å; V248-Y256 HydrophobicContact CG1-CE1 3.7Å; V248-Y256 HydrophobicContact CG1-CE2 3.59Å; V248-Y256 HydrophobicContact CG1-CG 3.64Å; Q252-Y256 HydrophobicContact CB-CE2 4.43Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.3Å; E253-Y256 PolarHBondContact O-N 3.26Å; E253-Y256 VanDerWaalsContact O-N 3.17Å; Q254-Y256 VanDerWaalsContact C-N 3.25Å
257T97.4Very high95.5Very high10 Ų1056.4 Ų56.46%0.06131%0.308CS..EExtended strand (participates in β ladder)trans-123.6134.9175.946.20000110.6W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.44Å; W216-T257 VanDerWaalsContact CE3-C 3.48Å; Q217-T257 PolarHBondContact N-O 3.36Å; Q217-T257 PolarHBondContact O-N 3.13Å; T257-H259 PolarHBondContact OG1-NE2 2.94Å; T257-T270 HydrophobicContact CG2-CG2 3.89Å; T257-L271 WeakPolarHBondContact CA-O 3.46Å; T257-R272 HydrophobicContact CG2-CG 3.52Å; T257-R272 VanDerWaalsContact CG2-NE 3.32Å
258C97.9Very high95.5Very high0 Ų056.6 Ų56.60%031%0.311CS..EExtended strand (participates in β ladder)trans-95.4128.6169.1174.30000109.5M188 C202 T215 W216 T270 L271M188-C258 HydrophobicContact CE-CB 3.46Å; M188-C258 VanDerWaalsContact CE-CB 3.46Å; C202-C258 HydrophobicContact CB-CB 3.51Å; C202-C258 WeakPolarHBondContact CB-SG 3.34Å; C202-C258 WeakPolarHBondContact SG-CB 3.3Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 2.75Å; T215-C258 CarbonylContact O-C 3.53Å; T215-C258 WeakPolarHBondContact O-CA 3.34Å; W216-C258 HydrophobicContact CD2-CB 4.21Å; W216-C258 HydrophobicContact CE3-CB 4.19Å; W216-C258 HydrophobicContact CH2-CB 4.18Å; W216-C258 HydrophobicContact CZ2-CB 4.17Å; W216-C258 HydrophobicContact CZ3-CB 4.16Å; C258-T270 CarbonylContact O-C 3.52Å; C258-T270 WeakPolarHBondContact O-CA 3.44Å; C258-L271 HydrophobicContact CB-CB 4.27Å; C258-L271 PolarHBondContact N-O 2.89Å; C258-L271 PolarHBondContact O-N 3.01Å
259H97.8Very high95.6Very high31 Ų3159.6 Ų59.614%0.14433%0.326CS..EExtended strand (participates in β ladder)trans-107129.5176.7-63-101.6000109.7L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.33Å; T215-H259 PolarHBondContact N-O 3Å; T215-H259 PolarHBondContact O-N 3.18Å; Q217-H259 PolarHBondContact OE1-NE2 3.37Å; T257-H259 PolarHBondContact OG1-NE2 2.94Å; H259-L269 CarbonylContact C-O 3.52Å; H259-L269 WeakPolarHBondContact CA-O 3.03Å; H259-T270 PolarHBondContact CE1-OG1 2.7Å; H259-T270 PolarHBondContact ND1-OG1 2.98Å
260V98.3Very high95.7Very high0 Ų061.3 Ų61.30%034%0.336CS..EExtended strand (participates in β ladder)trans-121.5119.6-178.9-174.80000108.9P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 4Å; T186-V260 HydrophobicContact CG2-CG1 4.33Å; T186-V260 HydrophobicContact CG2-CG2 4.15Å; I212-V260 HydrophobicContact CD1-CG1 3.94Å; I212-V260 HydrophobicContact CG1-CG1 4.29Å; T213-V260 WeakPolarHBondContact O-CA 3.35Å; L214-V260 HydrophobicContact CD1-CG1 4.05Å; L214-V260 HydrophobicContact CG-CG2 4.31Å; V260-L265 HydrophobicContact CG1-CD1 4.17Å; V260-P268 WeakPolarHBondContact O-CA 3.41Å; V260-L269 HydrophobicContact CB-CB 4.34Å; V260-L269 PolarHBondContact N-O 3.47Å; V260-L269 PolarHBondContact O-N 3.43Å; V260-L271 HydrophobicContact CG2-CD1 4.02Å
261Q98.3Very high96Very high99 Ų9960.3 Ų60.346%0.46333%0.326SS..EExtended strand (participates in β ladder)trans-115.4128.3173.7-50.7-177.621.700109.2I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.05Å; T213-Q261 PolarHBondContact N-O 3.45Å; T213-Q261 PolarHBondContact O-N 3.2Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.15Å
262H98Very high96.2Very high15 Ų1564.6 Ų64.67%0.06932%0.321CS..  trans-154.9145.2-179.1-175.3-101.5000108.4D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 2.82Å; P184-H262 HydrophobicContact CG-CB 4.13Å; F207-H262 AromaticContact CD2-CD2 3.8Å; F207-H262 AromaticContact CD2-NE2 3.59Å; Y208-H262 PolarHBondContact O-CE1 2.95Å; P209-H262 PolarHBondContact O-NE2 3.41Å; E211-H262 PolarHBondContact O-CD2 2.98Å; E211-H262 VanDerWaalsContact O-CD2 3.28Å; I212-H262 HydrophobicContact CD1-CB 4.28Å; I212-H262 HydrophobicContact CG1-CB 4.05Å; H262-G264 WeakPolarHBondContact ND1-CA 3.2Å; H262-G264 PolarHBondContact ND1-N 2.96Å; H262-G264 PolarHBondContact O-N 3Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.49Å; H262-L265 PolarHBondContact O-N 3.23Å
263E95.4Very high96.1Very high149 Ų14963.6 Ų63.670%0.69632%0.315SS*.THydrogen-bonded Turntrans-58.8-32.1-179.4-175.5174.4178.400112.6T181 L265T181-E263 HydrophobicContact CG2-CB 4.04Å; T181-E263 HydrophobicContact CG2-CG 4.12Å; E263-L265 PolarHBondContact O-N 3.16Å
264G95.2Very high95.7Very high21 Ų2170.3 Ų70.322%0.21635%0.346CS..THydrogen-bonded Turntrans-72.1-6177.500000114.6A183 H262A183-G264 WeakPolarHBondContact CB-O 3.34Å; H262-G264 WeakPolarHBondContact ND1-CA 3.2Å; H262-G264 PolarHBondContact ND1-N 2.96Å; H262-G264 PolarHBondContact O-N 3Å
265L97.4Very high95Very high25 Ų2569.6 Ų69.613%0.13135%0.35CS..SBendtrans-100126.9176.4-64.8170.3000109.7A183 P184 V260 H262 E263 K267 L269A183-L265 HydrophobicContact CB-CD2 4.01Å; P184-L265 HydrophobicContact CG-CD1 3.88Å; P184-L265 HydrophobicContact CG-CD2 4.4Å; P184-L265 HydrophobicContact CG-CG 4.19Å; V260-L265 HydrophobicContact CG1-CD1 4.17Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.49Å; H262-L265 PolarHBondContact O-N 3.23Å; E263-L265 PolarHBondContact O-N 3.16Å; L265-K267 WeakPolarHBondContact CB-O 3.35Å; L265-K267 PolarHBondContact O-N 3.43Å; L265-L269 HydrophobicContact CD1-CB 4.42Å; L265-L269 HydrophobicContact CD1-CD1 3.88Å; L265-L269 HydrophobicContact CD1-CG 3.82Å; L265-L269 HydrophobicContact CD2-CD1 3.57Å; L265-L269 HydrophobicContact CD2-CG 3.87Å; L265-L269 HydrophobicContact CG-CD1 4.38Å; L265-L269 HydrophobicContact CG-CG 4.43Å
266P95.8Very high93.4Very high133 Ų13369.1 Ų69.186%0.86436%0.363SS*.SBendtrans-65.1-24.9177.827-34.8000112.4
267K96.4Very high91Very high162 Ų16274.3 Ų74.370%0.70440%0.401SS*.SBendtrans-146.1151.3173.6-64.3-176.1-177.91780109.1L265 L269L265-K267 WeakPolarHBondContact CB-O 3.35Å; L265-K267 PolarHBondContact O-N 3.43Å; K267-L269 PolarHBondContact O-N 2.87Å
268P96.8Very high88.6Confident80 Ų8081.5 Ų81.552%0.51943%0.434SS..  trans-51135.9171.8-28.436.5000112.1V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.41Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.15Å
269L97.1Very high86Confident62 Ų6286.4 Ų86.433%0.32547%0.466SS..EExtended strand (participates in β ladder)trans-87.3142173.3-67.6176.8000109.8T186 H259 V260 L265 K267T186-L269 HydrophobicContact CG2-CD1 4.43Å; H259-L269 CarbonylContact C-O 3.52Å; H259-L269 WeakPolarHBondContact CA-O 3.03Å; V260-L269 HydrophobicContact CB-CB 4.34Å; V260-L269 PolarHBondContact N-O 3.47Å; V260-L269 PolarHBondContact O-N 3.43Å; L265-L269 HydrophobicContact CD1-CB 4.42Å; L265-L269 HydrophobicContact CD1-CD1 3.88Å; L265-L269 HydrophobicContact CD1-CG 3.82Å; L265-L269 HydrophobicContact CD2-CD1 3.57Å; L265-L269 HydrophobicContact CD2-CG 3.87Å; L265-L269 HydrophobicContact CG-CD1 4.38Å; L265-L269 HydrophobicContact CG-CG 4.43Å; K267-L269 PolarHBondContact O-N 2.87Å
270T97Very high83.8Confident82 Ų8291.3 Ų91.350%0.50350%0.498SS..EExtended strand (participates in β ladder)trans-121.1118.4171.2-56.30000108T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.89Å; C258-T270 CarbonylContact O-C 3.52Å; C258-T270 WeakPolarHBondContact O-CA 3.44Å; H259-T270 PolarHBondContact CE1-OG1 2.7Å; H259-T270 PolarHBondContact ND1-OG1 2.98Å
271L95.8Very high81.6Confident36 Ų3696.4 Ų96.419%0.18852%0.524CS..EExtended strand (participates in β ladder)trans-108.8136.9-177.1-63.1158.2000108.9T186 M188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.07Å; M188-L271 HydrophobicContact CE-CB 3.87Å; M188-L271 WeakPolarHBondContact CE-O 3.22Å; T257-L271 WeakPolarHBondContact CA-O 3.46Å; C258-L271 HydrophobicContact CB-CB 4.27Å; C258-L271 PolarHBondContact N-O 2.89Å; C258-L271 PolarHBondContact O-N 3.01Å; V260-L271 HydrophobicContact CG2-CD1 4.02Å
272R93.8Very high79.5Confident156 Ų15695.8 Ų95.859%0.58953%0.529SS*.EExtended strand (participates in β ladder)trans-116.7152.6167.8-73.2-176.9179160.1-0.1108.8T257 E274T257-R272 HydrophobicContact CG2-CG 3.52Å; T257-R272 VanDerWaalsContact CG2-NE 3.32Å; R272-E274 PolarHBondContact O-N 3.17Å
273W91.9Very high77.6Confident44 Ų44100.5 Ų100.517%0.16755%0.553CS.*  trans-71.8125.9174.9174.671.7000109M188 H190 L200 E253 Q254 P275M188-W273 WeakPolarHBondContact SD-CA 3.37Å; M188-W273 HydrophobicContact SD-CB 3.78Å; M188-W273 PolarHBondContact SD-N 3.34Å; H190-W273 HydrophobicContact CB-CZ2 4.18Å; H190-W273 AromaticContact CD2-CZ2 3.98Å; H190-W273 AromaticContact CG-CE2 3.99Å; H190-W273 AromaticContact CG-CZ2 3.98Å; H190-W273 AromaticContact CG-NE1 3.97Å; L200-W273 HydrophobicContact CD1-CB 4.22Å; L200-W273 HydrophobicContact CD2-CB 3.95Å; L200-W273 HydrophobicContact CD2-CD2 4.33Å; L200-W273 HydrophobicContact CD2-CG 3.78Å; E253-W273 HydrophobicContact CB-CD2 4.23Å; E253-W273 HydrophobicContact CB-CE3 3.47Å; E253-W273 VanDerWaalsContact CB-CE3 3.47Å; E253-W273 HydrophobicContact CB-CZ3 3.96Å; E253-W273 HydrophobicContact CG-CE3 3.89Å; E253-W273 HydrophobicContact CG-CZ3 4.02Å; Q254-W273 PolarHBondContact NE2-O 2.82Å; W273-P275 HydrophobicContact CE3-CG 4.36Å; W273-P275 HydrophobicContact CH2-CB 3.87Å; W273-P275 HydrophobicContact CH2-CG 3.69Å; W273-P275 HydrophobicContact CZ2-CB 4.07Å; W273-P275 HydrophobicContact CZ2-CG 4.26Å; W273-P275 HydrophobicContact CZ3-CB 4.41Å; W273-P275 HydrophobicContact CZ3-CG 3.74Å
274E84.2Confident75.7Confident160 Ų16099.2 Ų99.275%0.74856%0.555SS**  trans-109.5126.9170.3-73.4-178.2177.800108.5R272 S276R272-E274 PolarHBondContact O-N 3.17Å; E274-S276 PolarHBondContact O-N 3.39Å
275P77.9Confident74.1Confident80 Ų80100.3 Ų100.352%0.51957%0.567SS.*  trans-57.6125.8171.9-13.523.3000108.5W273 S277W273-P275 HydrophobicContact CE3-CG 4.36Å; W273-P275 HydrophobicContact CH2-CB 3.87Å; W273-P275 HydrophobicContact CH2-CG 3.69Å; W273-P275 HydrophobicContact CZ2-CB 4.07Å; W273-P275 HydrophobicContact CZ2-CG 4.26Å; W273-P275 HydrophobicContact CZ3-CB 4.41Å; W273-P275 HydrophobicContact CZ3-CG 3.74Å; P275-S277 PolarHBondContact O-N 3.05Å
276S62Low72.6Confident100 Ų100103.7 Ų103.770%0.69958%0.584SS**  trans-58.2112.8179.399.70000108.6E274 Q278E274-S276 PolarHBondContact O-N 3.39Å; S276-Q278 PolarHBondContact O-N 3.42Å
277S47.4Very low71.2Confident116 Ų116102 Ų10281%0.81157%0.567SS**  trans-7866.3168.850.50000108.2P275 P279P275-S277 PolarHBondContact O-N 3.05Å; S277-P279 WeakPolarHBondContact O-CD 3.25Å; S277-P279 VanDerWaalsContact O-N 3.16Å
278Q45.8Very low69.9Low160 Ų16096.6 Ų96.675%0.74855%0.552SS**  trans-64.5113.9157.2-82.3-170.6-17.100105.6S276 T280S276-Q278 PolarHBondContact O-N 3.42Å; Q278-T280 PolarHBondContact O-N 3.34Å
279P43.7Very low68.8Low104 Ų10494.2 Ų94.268%0.67554%0.542SS*.  trans-62.2116.8168.224.1-23.1000104.7S277 I281S277-P279 WeakPolarHBondContact O-CD 3.25Å; S277-P279 VanDerWaalsContact O-N 3.16Å; P279-I281 PolarHBondContact O-N 3.05Å
280T50.8Low67.8Low134 Ų13497 Ų9782%0.82256%0.557SS**  trans-61.784.4163-34.50000105.1Q278 P282Q278-T280 PolarHBondContact O-N 3.34Å; T280-P282 VanDerWaalsContact O-CD 3.27Å; T280-P282 WeakPolarHBondContact O-CD 3.31Å
281I52.9Low66.9Low106 Ų10697.7 Ų97.754%0.54456%0.561SS.*  trans-52.4118.3168.3-63.7175.9000103.1P279 I283 I286P279-I281 PolarHBondContact O-N 3.05Å; I281-I283 PolarHBondContact O-N 3.16Å; I281-I286 HydrophobicContact CG2-CD1 3.84Å
282P53.5Low65.8Low87 Ų87101.7 Ų101.757%0.56558%0.582SS**  trans-73.782.2-175.829.5-32.1000106.4T280 V284 G285 I286T280-P282 VanDerWaalsContact O-CD 3.27Å; T280-P282 WeakPolarHBondContact O-CD 3.31Å; P282-V284 PolarHBondContact O-N 2.78Å; P282-V284 VanDerWaalsContact O-N 3.11Å; P282-G285 WeakPolarHBondContact O-CA 3.36Å; P282-G285 PolarHBondContact O-N 2.94Å; P282-I286 PolarHBondContact O-N 3.48Å
283I58.4Low64.8Low114 Ų114101.4 Ų101.459%0.58559%0.585SS**Hα-helixtrans-53.8-33.1177.4-67.3168.5000108.8I281 G285 I286 I287I281-I283 PolarHBondContact O-N 3.16Å; I283-G285 PolarHBondContact O-N 2.73Å; I283-I286 PolarHBondContact O-N 3.26Å; I283-I287 HydrophobicContact CG2-CD1 3.72Å; I283-I287 HydrophobicContact CG2-CG1 4.35Å; I283-I287 VanDerWaalsContact O-CG1 3.24Å; I283-I287 WeakPolarHBondContact O-CG1 3.45Å; I283-I287 PolarHBondContact O-N 3.25Å
284V56.8Low63.8Low121 Ų121101 Ų10173%0.73360%0.595SS**Hα-helixtrans-61.9-40.5173.7-175.40000112.7P282 A288P282-V284 PolarHBondContact O-N 2.78Å; P282-V284 VanDerWaalsContact O-N 3.11Å; V284-A288 WeakPolarHBondContact O-CB 3.22Å; V284-A288 PolarHBondContact O-N 2.9Å
285G60.2Low63.4Low45 Ų4596.2 Ų96.246%0.46458%0.582SS.*Hα-helixtrans-69.7-36.6178.700000112.9P282 I283 G289P282-G285 WeakPolarHBondContact O-CA 3.36Å; P282-G285 PolarHBondContact O-N 2.94Å; I283-G285 PolarHBondContact O-N 2.73Å; G285-G289 PolarHBondContact O-N 3.43Å
286I65.9Low63.4Low96 Ų9697.2 Ų97.249%0.49259%0.587SS.*Hα-helixtrans-70-42.9176-61.1174.7000110.5I281 P282 I283 G289 L290I281-I286 HydrophobicContact CG2-CD1 3.84Å; P282-I286 PolarHBondContact O-N 3.48Å; I283-I286 PolarHBondContact O-N 3.26Å; I286-G289 PolarHBondContact O-N 3.2Å; I286-L290 HydrophobicContact CG2-CD1 3.97Å; I286-L290 HydrophobicContact CG2-CG 4.47Å; I286-L290 WeakPolarHBondContact O-CB 3.33Å; I286-L290 WeakPolarHBondContact O-CG 3.41Å; I286-L290 PolarHBondContact O-N 2.88Å
287I67.8Low64Low97 Ų9797.2 Ų97.250%0.49758%0.578SS.*Hα-helixtrans-63.9-46.5176.6-67.4169000110.8I283 G289 L290 V291I283-I287 HydrophobicContact CG2-CD1 3.72Å; I283-I287 HydrophobicContact CG2-CG1 4.35Å; I283-I287 VanDerWaalsContact O-CG1 3.24Å; I283-I287 WeakPolarHBondContact O-CG1 3.45Å; I283-I287 PolarHBondContact O-N 3.25Å; I287-G289 VanDerWaalsContact C-N 3.32Å; I287-G289 PolarHBondContact O-N 3.06Å; I287-L290 PolarHBondContact O-N 3.29Å; I287-V291 HydrophobicContact CG2-CG2 4.33Å; I287-V291 VanDerWaalsContact O-CG2 3.28Å; I287-V291 WeakPolarHBondContact O-CG2 3.46Å; I287-V291 PolarHBondContact O-N 2.83Å
288A68.3Low65.1Low49 Ų4996 Ų9641%0.40557%0.565SS.*Hα-helixtrans-60.8-41.917700000112V284 V291 L292V284-A288 WeakPolarHBondContact O-CB 3.22Å; V284-A288 PolarHBondContact O-N 2.9Å; A288-V291 PolarHBondContact O-N 2.95Å; A288-L292 WeakPolarHBondContact O-CB 2.84Å; A288-L292 WeakPolarHBondContact O-CG 3.48Å; A288-L292 PolarHBondContact O-N 3.25Å
289G72.7Confident66.4Low30 Ų3090.3 Ų90.331%0.30955%0.55SS.*Hα-helixtrans-61.8-44.6175.400000113G285 I286 I287 L292 F293G285-G289 PolarHBondContact O-N 3.43Å; I286-G289 PolarHBondContact O-N 3.2Å; I287-G289 VanDerWaalsContact C-N 3.32Å; I287-G289 PolarHBondContact O-N 3.06Å; G289-L292 PolarHBondContact O-N 2.84Å; G289-F293 WeakPolarHBondContact O-CB 3.45Å; G289-F293 PolarHBondContact O-N 3.36Å
290L77.8Confident67.9Low119 Ų11988.2 Ų88.262%0.62354%0.541SS*.Hα-helixtrans-67.2-38.9178.2-74.7169.9000112.7I286 I287 F293 G294I286-L290 HydrophobicContact CG2-CD1 3.97Å; I286-L290 HydrophobicContact CG2-CG 4.47Å; I286-L290 WeakPolarHBondContact O-CB 3.33Å; I286-L290 WeakPolarHBondContact O-CG 3.41Å; I286-L290 PolarHBondContact O-N 2.88Å; I287-L290 PolarHBondContact O-N 3.29Å; L290-F293 PolarHBondContact O-N 2.83Å; L290-G294 PolarHBondContact O-N 3.13Å
291V76.4Confident69Low97 Ų9785.7 Ų85.759%0.58853%0.526SS*.Hα-helixtrans-65.6-44176.3171.50000110.7I287 A288 G294 A295I287-V291 HydrophobicContact CG2-CG2 4.33Å; I287-V291 VanDerWaalsContact O-CG2 3.28Å; I287-V291 WeakPolarHBondContact O-CG2 3.46Å; I287-V291 PolarHBondContact O-N 2.83Å; A288-V291 PolarHBondContact O-N 2.95Å; V291-G294 PolarHBondContact O-N 3.28Å; V291-A295 WeakPolarHBondContact O-CB 3.42Å; V291-A295 PolarHBondContact O-N 3.47Å
292L73.3Confident70Confident120 Ų12084.7 Ų84.763%0.62852%0.524SS*.Hα-helixtrans-64-45.1176.3-74.5169000111.8A288 G289 G294 A295 V296A288-L292 WeakPolarHBondContact O-CB 2.84Å; A288-L292 WeakPolarHBondContact O-CG 3.48Å; A288-L292 PolarHBondContact O-N 3.25Å; G289-L292 PolarHBondContact O-N 2.84Å; L292-G294 PolarHBondContact O-N 2.87Å; L292-A295 PolarHBondContact O-N 3.16Å; L292-V296 VanDerWaalsContact O-CG2 3.31Å; L292-V296 WeakPolarHBondContact O-CG2 3.29Å; L292-V296 PolarHBondContact O-N 3.4Å
293F72.3Confident70.8Confident150 Ų15083.2 Ų83.266%0.65852%0.52SS*.Hα-helixtrans-61.8-44175.5-107.9-88.2000112G289 L290 A295 V296 I297G289-F293 WeakPolarHBondContact O-CB 3.45Å; G289-F293 PolarHBondContact O-N 3.36Å; L290-F293 PolarHBondContact O-N 2.83Å; F293-A295 PolarHBondContact O-N 3.13Å; F293-V296 PolarHBondContact O-N 3.02Å; F293-I297 WeakPolarHBondContact O-CG1 3.34Å; F293-I297 PolarHBondContact O-N 2.98Å
294G72.6Confident71.5Confident37 Ų3780.5 Ų80.538%0.38151%0.514SS..Hα-helixtrans-58.9-45.5176.400000112.2L290 V291 L292 I297 T298L290-G294 PolarHBondContact O-N 3.13Å; V291-G294 PolarHBondContact O-N 3.28Å; L292-G294 PolarHBondContact O-N 2.87Å; G294-I297 PolarHBondContact O-N 3.15Å; G294-T298 PolarHBondContact O-N 3.17Å; G294-T298 PolarHBondContact O-OG1 2.71Å
295A75.3Confident72.2Confident58 Ų5878.5 Ų78.548%0.47950%0.502SS..Hα-helixtrans-65.1-40.2178.100000112.9V291 L292 F293 T298 G299V291-A295 WeakPolarHBondContact O-CB 3.42Å; V291-A295 PolarHBondContact O-N 3.47Å; L292-A295 PolarHBondContact O-N 3.16Å; F293-A295 PolarHBondContact O-N 3.13Å; A295-T298 WeakPolarHBondContact CA-OG1 3.33Å; A295-T298 PolarHBondContact O-N 3.5Å; A295-T298 PolarHBondContact O-OG1 3.21Å; A295-G299 PolarHBondContact O-N 2.98Å
296V77.4Confident72.8Confident101 Ų10182.5 Ų82.561%0.61251%0.51SS*.Hα-helixtrans-64.9-43.8176.1171.60000110.9L292 F293 G299 A300L292-V296 VanDerWaalsContact O-CG2 3.31Å; L292-V296 WeakPolarHBondContact O-CG2 3.29Å; L292-V296 PolarHBondContact O-N 3.4Å; F293-V296 PolarHBondContact O-N 3.02Å; V296-G299 PolarHBondContact O-N 3Å; V296-A300 WeakPolarHBondContact O-CB 3.42Å; V296-A300 PolarHBondContact O-N 3.04Å
297I74.4Confident73Confident101 Ų10187.6 Ų87.652%0.51852%0.524SS..Hα-helixtrans-64.8-45.1178.4-67.8176.1000110.6F293 G294 G299 A300 V301F293-I297 WeakPolarHBondContact O-CG1 3.34Å; F293-I297 PolarHBondContact O-N 2.98Å; G294-I297 PolarHBondContact O-N 3.15Å; I297-G299 PolarHBondContact O-N 3.18Å; I297-A300 PolarHBondContact O-N 3.36Å; I297-V301 HydrophobicContact CG2-CG2 4.39Å; I297-V301 VanDerWaalsContact O-CG2 3.26Å; I297-V301 WeakPolarHBondContact O-CG2 3.17Å; I297-V301 PolarHBondContact O-N 2.9Å
298T71.5Confident72.8Confident89 Ų8992.5 Ų92.555%0.54654%0.536SS..Hα-helixtrans-63.6-42.8176.620.20000111.7G294 A295 A300 V301 V302G294-T298 PolarHBondContact O-N 3.17Å; G294-T298 PolarHBondContact O-OG1 2.71Å; A295-T298 WeakPolarHBondContact CA-OG1 3.33Å; A295-T298 PolarHBondContact O-N 3.5Å; A295-T298 PolarHBondContact O-OG1 3.21Å; T298-A300 PolarHBondContact O-N 2.86Å; T298-V301 PolarHBondContact O-N 2.64Å; T298-V302 WeakPolarHBondContact O-CB 3.34Å; T298-V302 VanDerWaalsContact O-CG2 3.28Å; T298-V302 WeakPolarHBondContact O-CG2 3.28Å; T298-V302 PolarHBondContact O-N 3.29Å
299G72.8Confident72.3Confident42 Ų4299.6 Ų99.643%0.43355%0.552SS.*Hα-helixtrans-59-45.1174.600000112.8A295 V296 I297 V302 A303A295-G299 PolarHBondContact O-N 2.98Å; V296-G299 PolarHBondContact O-N 3Å; I297-G299 PolarHBondContact O-N 3.18Å; G299-V302 PolarHBondContact O-N 2.86Å; G299-A303 WeakPolarHBondContact O-CB 3.45Å; G299-A303 PolarHBondContact O-N 3.48Å
300A74.1Confident71.4Confident59 Ų59106.8 Ų106.849%0.48858%0.575SS.*Hα-helixtrans-64.9-41.317800000112.4V296 I297 T298 A303 A304V296-A300 WeakPolarHBondContact O-CB 3.42Å; V296-A300 PolarHBondContact O-N 3.04Å; I297-A300 PolarHBondContact O-N 3.36Å; T298-A300 PolarHBondContact O-N 2.86Å; A300-A303 PolarHBondContact O-N 3.19Å; A300-A304 VanDerWaalsContact O-CB 3.29Å; A300-A304 WeakPolarHBondContact O-CB 3.11Å; A300-A304 PolarHBondContact O-N 3.11Å
301V75.4Confident70.3Confident81 Ų81104.5 Ų104.549%0.49157%0.569SS.*Hα-helixtrans-65.9-44.6177172.20000110.9I297 T298 A303 A304 V305I297-V301 HydrophobicContact CG2-CG2 4.39Å; I297-V301 VanDerWaalsContact O-CG2 3.26Å; I297-V301 WeakPolarHBondContact O-CG2 3.17Å; I297-V301 PolarHBondContact O-N 2.9Å; T298-V301 PolarHBondContact O-N 2.64Å; V301-A303 PolarHBondContact O-N 2.96Å; V301-A304 PolarHBondContact O-N 3.1Å; V301-V305 HydrophobicContact CG1-CG2 4.3Å; V301-V305 WeakPolarHBondContact O-CB 3.32Å; V301-V305 VanDerWaalsContact O-CG2 3.26Å; V301-V305 WeakPolarHBondContact O-CG2 3.33Å; V301-V305 PolarHBondContact O-N 3.33Å
302V74.1Confident69.2Low85 Ų85104 Ų10452%0.51557%0.57SS.*Hα-helixtrans-62.1-44.8176.9172.70000110.7T298 G299 A304 V305 M306T298-V302 WeakPolarHBondContact O-CB 3.34Å; T298-V302 VanDerWaalsContact O-CG2 3.28Å; T298-V302 WeakPolarHBondContact O-CG2 3.28Å; T298-V302 PolarHBondContact O-N 3.29Å; G299-V302 PolarHBondContact O-N 2.86Å; V302-A304 PolarHBondContact O-N 3.16Å; V302-V305 PolarHBondContact O-N 3.11Å; V302-M306 HydrophobicContact CG1-CG 4.47Å; V302-M306 HydrophobicContact CG1-SD 4.16Å; V302-M306 WeakPolarHBondContact O-CB 3.35Å; V302-M306 WeakPolarHBondContact O-CG 3.37Å; V302-M306 PolarHBondContact O-N 3.43Å
303A70.5Confident67.8Low57 Ų57105.8 Ų105.847%0.47158%0.58SS.*Hα-helixtrans-61.2-43.617600000112.1G299 A300 V301 M306 W307G299-A303 WeakPolarHBondContact O-CB 3.45Å; G299-A303 PolarHBondContact O-N 3.48Å; A300-A303 PolarHBondContact O-N 3.19Å; V301-A303 PolarHBondContact O-N 2.96Å; A303-M306 PolarHBondContact O-N 2.84Å; A303-W307 WeakPolarHBondContact O-CB 3.23Å; A303-W307 PolarHBondContact O-N 3.37Å
304A72.3Confident66.5Low56 Ų56109 Ų10946%0.46359%0.587SS.*Hα-helixtrans-65.8-39.8177.400000112.6A300 V301 V302 W307 R308A300-A304 VanDerWaalsContact O-CB 3.29Å; A300-A304 WeakPolarHBondContact O-CB 3.11Å; A300-A304 PolarHBondContact O-N 3.11Å; V301-A304 PolarHBondContact O-N 3.1Å; V302-A304 PolarHBondContact O-N 3.16Å; A304-W307 PolarHBondContact O-N 3.33Å; A304-R308 WeakPolarHBondContact O-CB 3.47Å; A304-R308 PolarHBondContact O-N 3.13Å
305V71.9Confident64.9Low79 Ų79117 Ų11748%0.47961%0.612SS.*Hα-helixtrans-67.8-41.7176.4170.70000111V301 V302 W307 R308 R309V301-V305 HydrophobicContact CG1-CG2 4.3Å; V301-V305 WeakPolarHBondContact O-CB 3.32Å; V301-V305 VanDerWaalsContact O-CG2 3.26Å; V301-V305 WeakPolarHBondContact O-CG2 3.33Å; V301-V305 PolarHBondContact O-N 3.33Å; V302-V305 PolarHBondContact O-N 3.11Å; V305-W307 VanDerWaalsContact C-N 3.34Å; V305-R308 PolarHBondContact O-N 3.42Å; V305-R309 PolarHBondContact O-N 3.03Å
306M71.7Confident63Low130 Ų130118.1 Ų118.164%0.6463%0.629SS**Hα-helixtrans-63.3-40173.9-74.1-176.167.900111.8V302 A303 R309 K310V302-M306 HydrophobicContact CG1-CG 4.47Å; V302-M306 HydrophobicContact CG1-SD 4.16Å; V302-M306 WeakPolarHBondContact O-CB 3.35Å; V302-M306 WeakPolarHBondContact O-CG 3.37Å; V302-M306 PolarHBondContact O-N 3.43Å; A303-M306 PolarHBondContact O-N 2.84Å; M306-R309 PolarHBondContact O-N 3.41Å; M306-K310 WeakPolarHBondContact O-CB 3.45Å; M306-K310 PolarHBondContact O-N 3.15Å
307W70.3Confident60.8Low203 Ų203117.1 Ų117.177%0.76964%0.639SS**Hα-helixtrans-63.6-44.2174.4-157.8-54.9000111.4A303 A304 V305 K310 S311A303-W307 WeakPolarHBondContact O-CB 3.23Å; A303-W307 PolarHBondContact O-N 3.37Å; A304-W307 PolarHBondContact O-N 3.33Å; V305-W307 VanDerWaalsContact C-N 3.34Å; W307-K310 PolarHBondContact O-N 3.25Å; W307-S311 PolarHBondContact O-N 3.08Å; W307-S311 PolarHBondContact O-OG 3.28Å
308R64.3Low58.9Low199 Ų199118.1 Ų118.175%0.75166%0.655SS**Hα-helixtrans-61.3-45175.9-93.8-173.1178.8175.31.1112.3A304 V305 K310 S311 S312A304-R308 WeakPolarHBondContact O-CB 3.47Å; A304-R308 PolarHBondContact O-N 3.13Å; V305-R308 PolarHBondContact O-N 3.42Å; R308-K310 VanDerWaalsContact C-N 3.3Å; R308-K310 PolarHBondContact O-N 3.17Å; R308-S311 WeakPolarHBondContact CA-OG 3.41Å; R308-S311 PolarHBondContact O-N 3.28Å; R308-S311 VanDerWaalsContact O-N 3.14Å; R308-S311 PolarHBondContact O-OG 2.78Å; R308-S312 PolarHBondContact O-N 3.16Å; R308-S312 PolarHBondContact O-OG 2.89Å
309R58.4Low57Low198 Ų198124.2 Ų124.275%0.74767%0.67SS**Hα-helixtrans-60.9-37.9175.3-96-174.9167.8178.6-2.9112.4V305 M306 S311 S312V305-R309 PolarHBondContact O-N 3.03Å; M306-R309 PolarHBondContact O-N 3.41Å; R309-S311 VanDerWaalsContact C-N 3.34Å; R309-S312 PolarHBondContact O-OG 3.39Å
310K53.8Low55.1Low182 Ų182127 Ų12779%0.79168%0.682SS**Hα-helixtrans-72.1-26176.3-163.7174-179.3179.90113.1M306 W307 R308M306-K310 WeakPolarHBondContact O-CB 3.45Å; M306-K310 PolarHBondContact O-N 3.15Å; W307-K310 PolarHBondContact O-N 3.25Å; R308-K310 VanDerWaalsContact C-N 3.3Å; R308-K310 PolarHBondContact O-N 3.17Å
311S53.6Low53.2Low71 Ų71133.4 Ų133.450%0.49770%0.702SS.*Hα-helixtrans-87.8-21.5175.859.40000114.9W307 R308 R309W307-S311 PolarHBondContact O-N 3.08Å; W307-S311 PolarHBondContact O-OG 3.28Å; R308-S311 WeakPolarHBondContact CA-OG 3.41Å; R308-S311 PolarHBondContact O-N 3.28Å; R308-S311 VanDerWaalsContact O-N 3.14Å; R308-S311 PolarHBondContact O-OG 2.78Å; R309-S311 VanDerWaalsContact C-N 3.34Å
312S52.7Low51.1Low87 Ų87133.8 Ų133.861%0.60871%0.714SS**Hα-helixtrans-82.3-14.1-179.956.70000114.4R308 R309 R314R308-S312 PolarHBondContact O-N 3.16Å; R308-S312 PolarHBondContact O-OG 2.89Å; R309-S312 PolarHBondContact O-OG 3.39Å; S312-R314 PolarHBondContact O-N 2.93Å
313D45.3Very low49.1Very low156 Ų156134.3 Ų134.383%0.83473%0.727SS**THydrogen-bonded Turntrans-79.34.3173.5-107.6-2.9000113.5
314R44.8Very low47.4Very low218 Ų218136.9 Ų136.982%0.82374%0.742SS**SBendtrans-138.962-176.5-160.5177.2177.4164.5-0.8112.7S312S312-R314 PolarHBondContact O-N 2.93Å
315K37.7Very low45.7Very low204 Ų204139.6 Ų139.689%0.88776%0.757SS**  trans171.796.3141.2-98166.1178.1-176.20110.3
316G35.2Very low44Very low82 Ų82143.1 Ų143.185%0.84577%0.774SS**  trans-79140.9159.800000111.1
317G33.1Very low42.7Very low80 Ų80142.5 Ų142.583%0.82578%0.782SS**  trans77.4110.7145.100000118.9
318S32.8Very low41.3Very low122 Ų122137.1 Ų137.185%0.85378%0.781SS**  -178.9133.5110.8-175.70000111.9
319Y32.1Very low40.2Very low217 Ų217136.8 Ų136.885%0.85179%0.788SS**  trans-50.5156.3164.2-83.4-110.1000111.7
320S33.4Very low39.1Very low100 Ų100130.2 Ų130.270%0.69978%0.782SS**  -177.7144.65515.20000109.4
321Q33.1Very low38.5Very low195 Ų195126.4 Ų126.491%0.91178%0.778SS**  55.5137116.7-121.1-178.8-15.700115.9
322A31.7Very low37.9Very low88 Ų88129.6 Ų129.673%0.72779%0.79SS**  cis-170.9-177.52100000110
323A33.5Very low37.3Very low97 Ų97130.6 Ų130.680%0.80279%0.792SS**  trans87.7105.6166.400000116.1
324S34Very low36.9Very low110 Ų110127.7 Ų127.777%0.76978%0.784SS**  75.196.952.4-176.60000114.4
325S36.6Very low36.7Very low114 Ų114124.8 Ų124.880%0.79778%0.784SS**  trans-170.810913547.20000107.3
326D35.4Very low36.9Very low153 Ų153120.5 Ų120.582%0.81878%0.775SS**  5796.879-88.1-9.2000115.3
327S45.2Very low37Very low116 Ų116120.7 Ų120.781%0.81177%0.768SS**  trans-170105.8132.62.90000106.1
328A41.3Very low37.2Very low91 Ų91122.6 Ų122.675%0.75277%0.768SS**  61.5128.982.300000111.4
329Q41.6Very low37.6Very low191 Ų191126.2 Ų126.289%0.89377%0.768SS**  cis-177.9160.42.5-146.5170.2-9.500106.2
330G34.9Very low38.1Very low61 Ų61126.1 Ų126.163%0.62979%0.79SS**  trans10988.6161.300000112.8
331S40.4Very low38.4Very low101 Ų101127.4 Ų127.471%0.70679%0.794SS**  58.6128.760.7-42.60000110.2
332D41.7Very low38.6Very low139 Ų139123.8 Ų123.874%0.74379%0.788SS**  cis-175.7160.48.5-120.1-25.4000108.7
333V39.5Very low39Very low107 Ų107125.8 Ų125.865%0.64879%0.791SS**  trans69.4104.4134.7173.20000117.5
334S36.7Very low39.3Very low96 Ų96127.5 Ų127.567%0.67179%0.791SS**  79.4131.589.4-48.70000113.4
335L41.6Very low39.7Very low156 Ų156128.6 Ų128.682%0.81779%0.792SS**  -177.7124.2110.5-91.1160.1000109.4
336T41.1Very low39.9Very low115 Ų115129.6 Ų129.671%0.70679%0.792SS**  trans20.1123.3133.432.40000118
337A37.5Very low40.2Very low85 Ų85127.9 Ų127.970%0.70279%0.79SS**  95.8143.766.200000113.7
338C37.7Very low39.8Very low121 Ų121128.8 Ų128.882%0.81879%0.788SS**  trans74109.3170.6-67.80000116.6
339K40.9Very low39.7Very low197 Ų197132 Ų13286%0.85779%0.791SS**  75.7102.765.5-166.5-172.8-157-178.50111.7
340V42.8Very low39.5Very low215 Ų215126.6 Ų126.6100%1.30378%0.782SS**  -142.60113.4175.80000107

Retrieved 340 of 340 residues in 1405.5 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).