A0A087XAN5_POEFO Loading...

Guanylate cyclase soluble subunit beta-1

Mediates responses to nitric oxide (NO) by catalyzing the biosynthesis of the signaling molecule cGMP.

AlphaFold DB , UniProt , Accession A0A087XAN5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 618 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
1M81.8Confident88.9Confident7 Ų713.1 Ų13.13%0.0347%0.065CC..  0162.60-82176.5-10800109.9V5 Y43 D45 T48 L142M1-V5 HydrophobicContact SD-CG1 4.16Å; M1-Y43 PolarHBondContact N-O 3.35Å; M1-Y43 PolarHBondContact O-N 2.97Å; M1-D45 WeakPolarHBondContact CA-OD1 3.07Å; M1-D45 HydrophobicContact CE-CB 4.36Å; M1-D45 WeakPolarHBondContact CG-OD1 3.32Å; M1-D45 PolarHBondContact N-OD1 3.28Å; M1-T48 HydrophobicContact CE-CG2 3.52Å; M1-T48 WeakPolarHBondContact CE-OG1 3.43Å; M1-T48 HydrophobicContact SD-CG2 3.81Å; M1-L142 HydrophobicContact CE-CD1 3.84Å; M1-L142 HydrophobicContact CE-CD2 4.36Å; M1-L142 HydrophobicContact SD-CD1 3.97Å
2Y85.8Confident89.3Confident19 Ų1912.6 Ų12.68%0.0756%0.063CC..BIsolated β-bridgetrans-62.3144.2173.1-92.3-88.2000111.8F4 V5 N6 I42 Y112 P113 M115 Y363Y2-F4 PolarHBondContact O-N 2.82Å; Y2-V5 WeakPolarHBondContact O-CB 3.46Å; Y2-V5 PolarHBondContact O-N 3.02Å; Y2-N6 PolarHBondContact O-N 3.14Å; Y2-I42 HydrophobicContact CD1-CG1 4.02Å; Y2-I42 HydrophobicContact CD2-CG1 4.25Å; Y2-I42 HydrophobicContact CE1-CD1 4.23Å; Y2-I42 HydrophobicContact CE1-CG1 3.69Å; Y2-I42 HydrophobicContact CE2-CD1 3.95Å; Y2-I42 HydrophobicContact CE2-CG1 3.92Å; Y2-I42 HydrophobicContact CG-CG1 4.3Å; Y2-Y112 HydrophobicContact CD1-CD1 4.24Å; Y2-Y112 HydrophobicContact CE1-CD1 4.03Å; Y2-Y112 PolarHBondContact OH-O 3.38Å; Y2-P113 PolarHBondContact OH-O 3.24Å; Y2-M115 HydrophobicContact CE2-CB 3.95Å; Y2-Y363 WeakPolarHBondContact CE1-OH 2.91Å
3G84.4Confident89.6Confident0 Ų011.8 Ų11.80%06%0.059CC..Hα-helixtrans-57.1-29.7173.100000112.6V5 N6 H7 L38 I41G3-V5 VanDerWaalsContact C-N 3.25Å; G3-V5 PolarHBondContact O-N 2.85Å; G3-N6 PolarHBondContact O-N 3.13Å; G3-N6 VanDerWaalsContact O-N 3.14Å; G3-H7 VanDerWaalsContact O-CB 3.25Å; G3-H7 WeakPolarHBondContact O-CB 3.26Å; G3-H7 PolarHBondContact O-N 2.8Å; G3-L38 WeakPolarHBondContact CA-O 3.49Å; G3-I41 WeakPolarHBondContact CA-O 3.46Å; G3-I41 PolarHBondContact N-O 2.9Å
4F87.9Confident89.7Confident19 Ų1914.7 Ų14.78%0.0837%0.074CC..Hα-helixtrans-49.5-44.1169.3-170.4-86.8000112.9Y2 A8 V39 F74 F77 Y83Y2-F4 PolarHBondContact O-N 2.82Å; F4-A8 PolarHBondContact O-N 3.48Å; F4-A8 VanDerWaalsContact O-N 3.15Å; F4-V39 HydrophobicContact CB-CG1 3.81Å; F4-V39 HydrophobicContact CD2-CG1 3.48Å; F4-V39 VanDerWaalsContact CD2-CG1 3.48Å; F4-V39 HydrophobicContact CG-CG1 4.11Å; F4-V39 PolarHBondContact N-O 3.45Å; F4-F74 AromaticContact CD1-CE2 3.75Å; F4-F74 HydrophobicContact CD1-CE2 3.75Å; F4-F74 HydrophobicContact CD1-CZ 4.18Å; F4-F74 AromaticContact CE1-CE2 3.68Å; F4-F74 HydrophobicContact CE1-CE2 3.68Å; F4-F74 AromaticContact CE1-CZ 3.95Å; F4-F74 HydrophobicContact CE1-CZ 3.95Å; F4-F77 HydrophobicContact CD1-CD1 4.35Å; F4-F77 AromaticContact CD1-CE1 3.94Å; F4-F77 HydrophobicContact CD1-CE1 3.94Å; F4-F77 AromaticContact CD2-CE1 3.73Å; F4-F77 HydrophobicContact CD2-CE1 3.73Å; F4-F77 HydrophobicContact CD2-CZ 4.31Å; F4-F77 AromaticContact CE1-CD1 3.69Å; F4-F77 HydrophobicContact CE1-CD1 3.69Å; F4-F77 AromaticContact CE1-CE1 3.59Å; F4-F77 HydrophobicContact CE1-CE1 3.59Å; F4-F77 HydrophobicContact CE2-CD1 4.12Å; F4-F77 AromaticContact CE2-CE1 3.35Å; F4-F77 HydrophobicContact CE2-CE1 3.35Å; F4-F77 AromaticContact CE2-CZ 3.95Å; F4-F77 HydrophobicContact CE2-CZ 3.95Å; F4-F77 AromaticContact CG-CE1 3.99Å; F4-F77 HydrophobicContact CG-CE1 3.99Å; F4-F77 AromaticContact CZ-CD1 3.55Å; F4-F77 HydrophobicContact CZ-CD1 3.55Å; F4-F77 AromaticContact CZ-CE1 3.27Å; F4-F77 HydrophobicContact CZ-CE1 3.27Å; F4-F77 HydrophobicContact CZ-CZ 4.23Å; F4-Y83 HydrophobicContact CZ-CE2 4.45Å
5V89.8Confident89.9Confident30 Ų3021.6 Ų21.618%0.18210%0.099CC..Hα-helixtrans-70.3-45.4178.5-177.70000110.7M1 Y2 G3 H7 A8 L9 F70 F74M1-V5 HydrophobicContact SD-CG1 4.16Å; Y2-V5 WeakPolarHBondContact O-CB 3.46Å; Y2-V5 PolarHBondContact O-N 3.02Å; G3-V5 VanDerWaalsContact C-N 3.25Å; G3-V5 PolarHBondContact O-N 2.85Å; V5-H7 VanDerWaalsContact C-N 3.32Å; V5-H7 PolarHBondContact O-N 2.99Å; V5-A8 PolarHBondContact O-N 3.17Å; V5-L9 PolarHBondContact O-N 3.17Å; V5-L9 VanDerWaalsContact O-N 3.14Å; V5-F70 HydrophobicContact CG1-CE1 4.18Å; V5-F70 HydrophobicContact CG1-CZ 3.6Å; V5-F70 WeakPolarHBondContact O-CE2 3.4Å; V5-F74 HydrophobicContact CG2-CE2 4.17Å
6N90.4Very high90Very high0 Ų025.1 Ų25.10%012%0.119CC..Hα-helixtrans-67.2-34.3-179.8-67.9-17.9000112.3Y2 G3 L9 E10 F37 T48Y2-N6 PolarHBondContact O-N 3.14Å; G3-N6 PolarHBondContact O-N 3.13Å; G3-N6 VanDerWaalsContact O-N 3.14Å; N6-L9 WeakPolarHBondContact O-CB 3.26Å; N6-L9 PolarHBondContact O-N 3.49Å; N6-E10 PolarHBondContact O-N 3.36Å; N6-F37 HydrophobicContact CB-CB 4.18Å; N6-F37 HydrophobicContact CB-CD1 3.57Å; N6-F37 HydrophobicContact CB-CD2 3.85Å; N6-F37 HydrophobicContact CB-CE1 3.85Å; N6-F37 HydrophobicContact CB-CE2 4.11Å; N6-F37 HydrophobicContact CB-CG 3.58Å; N6-F37 HydrophobicContact CB-CZ 4.12Å; N6-T48 PolarHBondContact OD1-OG1 2.8Å
7H91Very high90.1Very high26 Ų2628.7 Ų28.712%0.1213%0.132CC..Hα-helixtrans-69.4-38.4176-170.662.1000111.5G3 V5 L9 E10 L11 F37 V39 F77G3-H7 VanDerWaalsContact O-CB 3.25Å; G3-H7 WeakPolarHBondContact O-CB 3.26Å; G3-H7 PolarHBondContact O-N 2.8Å; V5-H7 VanDerWaalsContact C-N 3.32Å; V5-H7 PolarHBondContact O-N 2.99Å; H7-L9 PolarHBondContact O-N 3.45Å; H7-E10 IonicContact ND1-OE2 3.66Å; H7-E10 PolarHBondContact ND1-OE2 3.33Å; H7-E10 WeakPolarHBondContact O-CB 3.4Å; H7-E10 PolarHBondContact O-N 3.42Å; H7-L11 WeakPolarHBondContact O-CB 3.38Å; H7-L11 WeakPolarHBondContact O-CG 3.5Å; H7-L11 PolarHBondContact O-N 2.66Å; H7-F37 HydrophobicContact CB-CB 4.08Å; H7-V39 HydrophobicContact CB-CG2 4.48Å; H7-F77 AromaticContact CD2-CZ 3.8Å
8A92.1Very high90.2Very high0 Ų028.2 Ų28.20%014%0.136CC..Hα-helixtrans-61.9-34.9171.400000112F4 V5 L11 L12 F70 F74 F77F4-A8 PolarHBondContact O-N 3.48Å; F4-A8 VanDerWaalsContact O-N 3.15Å; V5-A8 PolarHBondContact O-N 3.17Å; A8-L11 PolarHBondContact O-N 2.98Å; A8-L12 PolarHBondContact O-N 2.82Å; A8-F70 HydrophobicContact CB-CE2 3.87Å; A8-F70 HydrophobicContact CB-CZ 4.38Å; A8-F74 HydrophobicContact CB-CD2 3.81Å; A8-F77 HydrophobicContact CB-CB 4.38Å; A8-F77 HydrophobicContact CB-CD1 3.73Å; A8-F77 HydrophobicContact CB-CE1 4.29Å; A8-F77 HydrophobicContact CB-CG 4.17Å
9L91.5Very high90.3Very high4 Ų431.5 Ų31.52%0.02116%0.16CC..Hα-helixtrans-70.6-42176.2-168.3153.3000111.2V5 N6 H7 L11 L12 V13 W22 L51 V52 F70V5-L9 PolarHBondContact O-N 3.17Å; V5-L9 VanDerWaalsContact O-N 3.14Å; N6-L9 WeakPolarHBondContact O-CB 3.26Å; N6-L9 PolarHBondContact O-N 3.49Å; H7-L9 PolarHBondContact O-N 3.45Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 3.42Å; L9-L12 WeakPolarHBondContact O-CB 3.36Å; L9-L12 PolarHBondContact O-N 2.82Å; L9-V13 PolarHBondContact O-N 3.11Å; L9-W22 HydrophobicContact CD2-CH2 4.39Å; L9-W22 HydrophobicContact CD2-CZ3 4.04Å; L9-L51 HydrophobicContact CD1-CB 4.41Å; L9-L51 HydrophobicContact CD2-CB 4.11Å; L9-L51 HydrophobicContact CD2-CD1 4.38Å; L9-V52 HydrophobicContact CD1-CG2 3.67Å; L9-F70 HydrophobicContact CB-CD2 3.84Å; L9-F70 HydrophobicContact CB-CE2 3.71Å; L9-F70 HydrophobicContact CD1-CD2 4.37Å; L9-F70 HydrophobicContact CG-CD2 4.18Å; L9-F70 HydrophobicContact CG-CE2 4.48Å
10E91.8Very high90.3Very high7 Ų737.9 Ų37.93%0.03319%0.189CC..Hα-helixtrans-56.3-48.2170.1171.1170.5-149.600111N6 H7 L12 V13 L14 W22 F37N6-E10 PolarHBondContact O-N 3.36Å; H7-E10 IonicContact ND1-OE2 3.66Å; H7-E10 PolarHBondContact ND1-OE2 3.33Å; H7-E10 WeakPolarHBondContact O-CB 3.4Å; H7-E10 PolarHBondContact O-N 3.42Å; E10-L12 PolarHBondContact O-N 2.87Å; E10-V13 PolarHBondContact O-N 2.95Å; E10-L14 HydrophobicContact CG-CD1 3.67Å; E10-L14 HydrophobicContact CG-CG 4.24Å; E10-L14 WeakPolarHBondContact O-CB 3.34Å; E10-L14 VanDerWaalsContact O-CG 3.28Å; E10-L14 WeakPolarHBondContact O-CG 3.38Å; E10-L14 PolarHBondContact O-N 2.78Å; E10-W22 HydrophobicContact CB-CH2 3.77Å; E10-W22 HydrophobicContact CB-CZ2 3.53Å; E10-W22 HydrophobicContact CB-CZ3 4.42Å; E10-W22 HydrophobicContact CG-CD2 4.32Å; E10-W22 HydrophobicContact CG-CH2 4.3Å; E10-W22 HydrophobicContact CG-CZ2 3.61Å; E10-W22 PolarHBondContact OE1-NE1 2.93Å; E10-F37 HydrophobicContact CB-CD2 4.4Å; E10-F37 PolarHBondContact OE2-N 3.43Å
11L91.9Very high90.4Very high32 Ų3237.8 Ų37.817%0.16819%0.19CC..Hα-helixtrans-63.5-38.7178.7-74.4174.1000113.2H7 A8 L9 V13 L14 R15 F77H7-L11 WeakPolarHBondContact O-CB 3.38Å; H7-L11 WeakPolarHBondContact O-CG 3.5Å; H7-L11 PolarHBondContact O-N 2.66Å; A8-L11 PolarHBondContact O-N 2.98Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 3.42Å; L11-V13 VanDerWaalsContact C-N 3.31Å; L11-V13 PolarHBondContact O-N 2.98Å; L11-L14 PolarHBondContact O-N 2.79Å; L11-R15 WeakPolarHBondContact O-CB 3.19Å; L11-R15 WeakPolarHBondContact O-CG 3.49Å; L11-R15 PolarHBondContact O-N 2.81Å; L11-F77 HydrophobicContact CD1-CD2 3.53Å; L11-F77 HydrophobicContact CD1-CE2 3.56Å; L11-F77 HydrophobicContact CD1-CG 4.41Å; L11-F77 HydrophobicContact CD1-CZ 4.45Å
12L93.8Very high90.9Very high7 Ų737.8 Ų37.84%0.03719%0.19CC..Hα-helixtrans-54-49.7172.3164.776.3000110.4A8 L9 E10 N16 M69 F70 M73A8-L12 PolarHBondContact O-N 2.82Å; L9-L12 WeakPolarHBondContact O-CB 3.36Å; L9-L12 PolarHBondContact O-N 2.82Å; E10-L12 PolarHBondContact O-N 2.87Å; L12-N16 WeakPolarHBondContact O-CB 3.36Å; L12-N16 PolarHBondContact O-N 3.25Å; L12-M69 HydrophobicContact CD1-CB 3.96Å; L12-F70 HydrophobicContact CD2-CB 3.98Å; L12-M73 HydrophobicContact CB-CB 4.08Å; L12-M73 HydrophobicContact CB-CG 3.88Å; L12-M73 HydrophobicContact CD1-CB 4.08Å; L12-M73 HydrophobicContact CD1-CG 3.26Å; L12-M73 HydrophobicContact CG-CG 4.15Å
13V92.1Very high91.1Very high3 Ų341.3 Ų41.32%0.01821%0.207CC..Hα-helixtrans-68-46.7-178.4179.20000110.7L9 E10 L11 R15 N16 Y17 G18 V21 W22 I25L9-V13 PolarHBondContact O-N 3.11Å; E10-V13 PolarHBondContact O-N 2.95Å; L11-V13 VanDerWaalsContact C-N 3.31Å; L11-V13 PolarHBondContact O-N 2.98Å; V13-R15 PolarHBondContact O-N 2.86Å; V13-N16 PolarHBondContact O-N 2.82Å; V13-Y17 WeakPolarHBondContact O-CA 3.22Å; V13-Y17 WeakPolarHBondContact O-CB 3.46Å; V13-Y17 PolarHBondContact O-N 3.49Å; V13-G18 PolarHBondContact O-N 2.93Å; V13-V21 HydrophobicContact CG1-CG1 4.27Å; V13-W22 HydrophobicContact CB-CE3 3.93Å; V13-W22 HydrophobicContact CG1-CB 3.98Å; V13-W22 HydrophobicContact CG1-CE3 4.04Å; V13-W22 HydrophobicContact CG2-CE3 4.07Å; V13-W22 HydrophobicContact CG2-CZ3 4.28Å; V13-I25 HydrophobicContact CG1-CD1 3.88Å; V13-I25 HydrophobicContact CG2-CD1 4.03Å
14L91.6Very high91.4Very high52 Ų5244.7 Ų44.727%0.27223%0.225SC..Hα-helixtrans-61.7-42-178-71175.8000112.7E10 L11 G18 P19 W22E10-L14 HydrophobicContact CG-CD1 3.67Å; E10-L14 HydrophobicContact CG-CG 4.24Å; E10-L14 WeakPolarHBondContact O-CB 3.34Å; E10-L14 VanDerWaalsContact O-CG 3.28Å; E10-L14 WeakPolarHBondContact O-CG 3.38Å; E10-L14 PolarHBondContact O-N 2.78Å; L11-L14 PolarHBondContact O-N 2.79Å; L14-G18 WeakPolarHBondContact O-CA 3.45Å; L14-G18 PolarHBondContact O-N 3.31Å; L14-P19 HydrophobicContact CD2-CB 4.1Å; L14-W22 HydrophobicContact CD2-CB 3.87Å; L14-W22 HydrophobicContact CD2-CG 4.1Å; L14-W22 HydrophobicContact CG-CG 4.5Å
15R92.4Very high91.6Very high118 Ų11843.8 Ų43.845%0.44522%0.221SC..Hα-helixtrans-73.3-37.7-178.9-72.1-177.8-178.9-168.52.8112.8L11 V13 E80L11-R15 WeakPolarHBondContact O-CB 3.19Å; L11-R15 WeakPolarHBondContact O-CG 3.49Å; L11-R15 PolarHBondContact O-N 2.81Å; V13-R15 PolarHBondContact O-N 2.86Å; R15-E80 IonicContact CZ-OE1 3.5Å; R15-E80 IonicContact CZ-OE2 3.51Å; R15-E80 IonicContact NH1-OE1 3.11Å; R15-E80 PolarHBondContact NH1-OE1 3.48Å; R15-E80 IonicContact NH1-OE2 2.73Å; R15-E80 IonicContact NH2-OE1 2.92Å; R15-E80 PolarHBondContact NH2-OE1 3.31Å; R15-E80 IonicContact NH2-OE2 3.49Å; R15-E80 PolarHBondContact NH2-OE2 2.74Å
16N91.5Very high91.6Very high78 Ų7843.7 Ų43.742%0.41722%0.218SC..Hα-helixtrans-92.8-31.6-173.4-67.5-4.3000113.6L12 V13L12-N16 WeakPolarHBondContact O-CB 3.36Å; L12-N16 PolarHBondContact O-N 3.25Å; V13-N16 PolarHBondContact O-N 2.82Å
17Y91.9Very high91.6Very high86 Ų8652 Ų5234%0.33725%0.25SC..Hα-helixtrans-127.3-10.9-170-54.8-78.6000114V13 V21 L59V13-Y17 WeakPolarHBondContact O-CA 3.22Å; V13-Y17 WeakPolarHBondContact O-CB 3.46Å; V13-Y17 PolarHBondContact O-N 3.49Å; Y17-V21 WeakPolarHBondContact O-CG2 3.33Å; Y17-L59 HydrophobicContact CD1-CD2 3.77Å; Y17-L59 HydrophobicContact CD2-CD1 4.2Å; Y17-L59 HydrophobicContact CD2-CD2 4.04Å; Y17-L59 HydrophobicContact CE1-CD2 3.92Å; Y17-L59 HydrophobicContact CE2-CD1 3.81Å; Y17-L59 HydrophobicContact CE2-CD2 4.18Å; Y17-L59 HydrophobicContact CG-CD2 3.83Å
18G91.9Very high91.5Very high20 Ų2055 Ų5521%0.20626%0.264CS..  trans85.8173.5176.100000114.9V13 L14 E20V13-G18 PolarHBondContact O-N 2.93Å; L14-G18 WeakPolarHBondContact O-CA 3.45Å; L14-G18 PolarHBondContact O-N 3.31Å; G18-E20 PolarHBondContact O-N 3.47Å
19P91.4Very high91.3Very high90 Ų9055.7 Ų55.758%0.58427%0.27SS*.Hα-helixtrans-70.8-28.9-172.127.5-34.5000114.1L14 W22 E23L14-P19 HydrophobicContact CD2-CB 4.1Å; P19-W22 PolarHBondContact O-N 2.88Å; P19-E23 PolarHBondContact O-N 3.02Å; P19-E23 VanDerWaalsContact O-N 3.11Å
20E91.9Very high91.1Very high160 Ų16063.8 Ų63.875%0.74831%0.307SS*.Hα-helixtrans-64.9-43.4-179.9-63.6-176.8175.200111.6G18 W22 E23 D24G18-E20 PolarHBondContact O-N 3.47Å; E20-W22 VanDerWaalsContact C-N 3.3Å; E20-W22 PolarHBondContact O-N 3.41Å; E20-E23 PolarHBondContact O-N 3.04Å; E20-D24 PolarHBondContact O-N 2.64Å; E20-D24 VanDerWaalsContact O-N 3.15Å
21V92.4Very high90.6Very high36 Ų3664.5 Ų64.522%0.21831%0.311CS..Hα-helixtrans-66.5-35.3178.3179.60000111.1V13 Y17 D24 I25 V58 L59V13-V21 HydrophobicContact CG1-CG1 4.27Å; Y17-V21 WeakPolarHBondContact O-CG2 3.33Å; V21-D24 PolarHBondContact O-N 3.36Å; V21-I25 HydrophobicContact CG1-CD1 4.11Å; V21-I25 WeakPolarHBondContact O-CG1 3.28Å; V21-I25 PolarHBondContact O-N 2.9Å; V21-V58 HydrophobicContact CG1-CG1 4.2Å; V21-L59 HydrophobicContact CG1-CD2 3.67Å
22W92.1Very high89.4Confident6 Ų671 Ų712%0.02335%0.346CS..Hα-helixtrans-63.2-42.3174.2-179.8-125.9000112.4L9 E10 V13 L14 P19 E20 D24 I25 K26 F37 L51L9-W22 HydrophobicContact CD2-CH2 4.39Å; L9-W22 HydrophobicContact CD2-CZ3 4.04Å; E10-W22 HydrophobicContact CB-CH2 3.77Å; E10-W22 HydrophobicContact CB-CZ2 3.53Å; E10-W22 HydrophobicContact CB-CZ3 4.42Å; E10-W22 HydrophobicContact CG-CD2 4.32Å; E10-W22 HydrophobicContact CG-CH2 4.3Å; E10-W22 HydrophobicContact CG-CZ2 3.61Å; E10-W22 PolarHBondContact OE1-NE1 2.93Å; V13-W22 HydrophobicContact CB-CE3 3.93Å; V13-W22 HydrophobicContact CG1-CB 3.98Å; V13-W22 HydrophobicContact CG1-CE3 4.04Å; V13-W22 HydrophobicContact CG2-CE3 4.07Å; V13-W22 HydrophobicContact CG2-CZ3 4.28Å; L14-W22 HydrophobicContact CD2-CB 3.87Å; L14-W22 HydrophobicContact CD2-CG 4.1Å; L14-W22 HydrophobicContact CG-CG 4.5Å; P19-W22 PolarHBondContact O-N 2.88Å; E20-W22 VanDerWaalsContact C-N 3.3Å; E20-W22 PolarHBondContact O-N 3.41Å; W22-D24 VanDerWaalsContact C-N 3.32Å; W22-D24 PolarHBondContact O-N 2.87Å; W22-I25 HydrophobicContact CE3-CB 4.44Å; W22-I25 HydrophobicContact CE3-CG2 4.38Å; W22-I25 HydrophobicContact CZ3-CG2 4.25Å; W22-I25 PolarHBondContact O-N 3.19Å; W22-K26 HydrophobicContact CD2-CG 4.3Å; W22-K26 HydrophobicContact CZ2-CD 4.26Å; W22-K26 HydrophobicContact CZ2-CG 4.16Å; W22-K26 WeakPolarHBondContact O-CG 3.32Å; W22-K26 PolarHBondContact O-N 3.14Å; W22-F37 AromaticContact CH2-CE2 3.99Å; W22-F37 HydrophobicContact CH2-CE2 3.99Å; W22-F37 HydrophobicContact CZ2-CD2 4.37Å; W22-F37 AromaticContact CZ2-CE2 3.86Å; W22-F37 HydrophobicContact CZ2-CE2 3.86Å; W22-L51 HydrophobicContact CH2-CD1 4.49Å; W22-L51 HydrophobicContact CH2-CD2 3.72Å; W22-L51 HydrophobicContact CZ3-CD2 3.92Å
23E89.9Confident88.2Confident94 Ų9472.6 Ų72.644%0.43935%0.354SS..Hα-helixtrans-63.2-37.5175.6-69.3-58.4150.600112.6P19 E20 K26 R27P19-E23 PolarHBondContact O-N 3.02Å; P19-E23 VanDerWaalsContact O-N 3.11Å; E20-E23 PolarHBondContact O-N 3.04Å; E23-K26 PolarHBondContact O-N 2.99Å; E23-K26 VanDerWaalsContact OE1-CE 3.27Å; E23-K26 WeakPolarHBondContact OE1-CE 3.41Å; E23-K26 IonicContact OE1-NZ 3.54Å; E23-K26 PolarHBondContact OE1-NZ 3.32Å; E23-K26 WeakPolarHBondContact OE2-CE 3.48Å; E23-K26 IonicContact OE2-NZ 3.5Å; E23-K26 PolarHBondContact OE2-NZ 3.38Å; E23-R27 WeakPolarHBondContact O-CB 3.24Å; E23-R27 PolarHBondContact O-N 3.31Å
24D91Very high86.6Confident70 Ų7079.7 Ų79.737%0.37439%0.387SS..Hα-helixtrans-68.6-38.9175.8-74.8-24000112.1E20 V21 W22 R27 E28 V58E20-D24 PolarHBondContact O-N 2.64Å; E20-D24 VanDerWaalsContact O-N 3.15Å; V21-D24 PolarHBondContact O-N 3.36Å; W22-D24 VanDerWaalsContact C-N 3.32Å; W22-D24 PolarHBondContact O-N 2.87Å; D24-R27 PolarHBondContact O-N 3.3Å; D24-R27 IonicContact OD1-CZ 3.77Å; D24-R27 IonicContact OD1-NH1 3.63Å; D24-R27 PolarHBondContact OD1-NH1 3.06Å; D24-R27 IonicContact OD1-NH2 2.72Å; D24-R27 PolarHBondContact OD1-NH2 3.4Å; D24-E28 PolarHBondContact O-N 3.21Å; D24-V58 HydrophobicContact CB-CG1 4.43Å
25I91.4Very high85.5Confident0 Ų078.9 Ų78.90%039%0.391CS..Hα-helixtrans-63.5-44.2173.6-70.2169.4000110.9V13 V21 W22 R27 E28 A29 L51 A54 A55 V58V13-I25 HydrophobicContact CG1-CD1 3.88Å; V13-I25 HydrophobicContact CG2-CD1 4.03Å; V21-I25 HydrophobicContact CG1-CD1 4.11Å; V21-I25 WeakPolarHBondContact O-CG1 3.28Å; V21-I25 PolarHBondContact O-N 2.9Å; W22-I25 HydrophobicContact CE3-CB 4.44Å; W22-I25 HydrophobicContact CE3-CG2 4.38Å; W22-I25 HydrophobicContact CZ3-CG2 4.25Å; W22-I25 PolarHBondContact O-N 3.19Å; I25-R27 VanDerWaalsContact C-N 3.29Å; I25-R27 PolarHBondContact O-N 3.33Å; I25-E28 PolarHBondContact O-N 3.38Å; I25-A29 VanDerWaalsContact O-CB 3.29Å; I25-A29 WeakPolarHBondContact O-CB 3.44Å; I25-A29 PolarHBondContact O-N 3.01Å; I25-L51 HydrophobicContact CG2-CD2 4.12Å; I25-A54 HydrophobicContact CG2-CB 4.09Å; I25-A55 HydrophobicContact CD1-CB 3.9Å; I25-A55 HydrophobicContact CG2-CB 4.48Å; I25-V58 HydrophobicContact CG1-CB 3.88Å; I25-V58 HydrophobicContact CG1-CG1 4Å; I25-V58 HydrophobicContact CG1-CG2 3.99Å
26K89.9Confident84.9Confident29 Ų2979.1 Ų79.113%0.12640%0.398CS..Hα-helixtrans-60.1-39.8176.1-75.3-170-63.5172.80112.2W22 E23 A29 Q30 L31W22-K26 HydrophobicContact CD2-CG 4.3Å; W22-K26 HydrophobicContact CZ2-CD 4.26Å; W22-K26 HydrophobicContact CZ2-CG 4.16Å; W22-K26 WeakPolarHBondContact O-CG 3.32Å; W22-K26 PolarHBondContact O-N 3.14Å; E23-K26 PolarHBondContact O-N 2.99Å; E23-K26 VanDerWaalsContact OE1-CE 3.27Å; E23-K26 WeakPolarHBondContact OE1-CE 3.41Å; E23-K26 IonicContact OE1-NZ 3.54Å; E23-K26 PolarHBondContact OE1-NZ 3.32Å; E23-K26 WeakPolarHBondContact OE2-CE 3.48Å; E23-K26 IonicContact OE2-NZ 3.5Å; E23-K26 PolarHBondContact OE2-NZ 3.38Å; K26-A29 PolarHBondContact O-N 3.22Å; K26-Q30 PolarHBondContact O-N 3.47Å; K26-Q30 VanDerWaalsContact O-N 3.12Å; K26-L31 PolarHBondContact O-N 3.11Å; K26-L31 VanDerWaalsContact O-N 3.12Å
27R89.3Confident84.6Confident174 Ų17475.8 Ų75.866%0.65738%0.379SS*.Hα-helixtrans-65.6-43.8177.3-165.3-174.8-55.8129.713.8111.9E23 D24 I25 Q30E23-R27 WeakPolarHBondContact O-CB 3.24Å; E23-R27 PolarHBondContact O-N 3.31Å; D24-R27 PolarHBondContact O-N 3.3Å; D24-R27 IonicContact OD1-CZ 3.77Å; D24-R27 IonicContact OD1-NH1 3.63Å; D24-R27 PolarHBondContact OD1-NH1 3.06Å; D24-R27 IonicContact OD1-NH2 2.72Å; D24-R27 PolarHBondContact OD1-NH2 3.4Å; I25-R27 VanDerWaalsContact C-N 3.29Å; I25-R27 PolarHBondContact O-N 3.33Å; R27-Q30 PolarHBondContact O-N 3.36Å
28E90.3Very high84.2Confident90 Ų9073.1 Ų73.142%0.42137%0.371SS..Hα-helixtrans-67.3-38.3177.1179.265.6-16600111.9D24 I25 Q30 A54 K57 V58D24-E28 PolarHBondContact O-N 3.21Å; I25-E28 PolarHBondContact O-N 3.38Å; E28-Q30 VanDerWaalsContact C-N 3.25Å; E28-Q30 PolarHBondContact O-N 3.12Å; E28-A54 HydrophobicContact CB-CB 4.05Å; E28-A54 HydrophobicContact CG-CB 3.81Å; E28-K57 HydrophobicContact CG-CD 4.29Å; E28-K57 VanDerWaalsContact OE1-CD 3.26Å; E28-K57 WeakPolarHBondContact OE1-CD 3.45Å; E28-K57 IonicContact OE1-NZ 3.49Å; E28-K57 PolarHBondContact OE1-NZ 3.45Å; E28-V58 HydrophobicContact CB-CG2 4.29Å
29A87.8Confident83.9Confident14 Ų1473.9 Ų73.912%0.11637%0.371CS..THydrogen-bonded Turntrans-78-3177.800000114.1I25 K26 L31 L51 A54I25-A29 VanDerWaalsContact O-CB 3.29Å; I25-A29 WeakPolarHBondContact O-CB 3.44Å; I25-A29 PolarHBondContact O-N 3.01Å; K26-A29 PolarHBondContact O-N 3.22Å; A29-L31 VanDerWaalsContact C-N 3.27Å; A29-L31 HydrophobicContact CB-CD1 3.81Å; A29-L31 HydrophobicContact CB-CG 4.02Å; A29-L31 PolarHBondContact O-N 3.33Å; A29-L51 HydrophobicContact CB-CD2 4.43Å; A29-A54 HydrophobicContact CB-CB 3.8Å
30Q86Confident83.4Confident173 Ų17372.3 Ų72.381%0.80835%0.354SS*.THydrogen-bonded Turntrans54.239.9-177.8-56.7177.71800113.5K26 R27 E28 D32K26-Q30 PolarHBondContact O-N 3.47Å; K26-Q30 VanDerWaalsContact O-N 3.12Å; R27-Q30 PolarHBondContact O-N 3.36Å; E28-Q30 VanDerWaalsContact C-N 3.25Å; E28-Q30 PolarHBondContact O-N 3.12Å; Q30-D32 PolarHBondContact O-N 3.31Å
31L81.4Confident83Confident23 Ų2366.6 Ų66.612%0.1233%0.328CS..  trans-89.1106.5-179.7-74.1164.4000111.4K26 A29 I33 F37 K47 L51K26-L31 PolarHBondContact O-N 3.11Å; K26-L31 VanDerWaalsContact O-N 3.12Å; A29-L31 VanDerWaalsContact C-N 3.27Å; A29-L31 HydrophobicContact CB-CD1 3.81Å; A29-L31 HydrophobicContact CB-CG 4.02Å; A29-L31 PolarHBondContact O-N 3.33Å; L31-I33 HydrophobicContact CD2-CD1 4.22Å; L31-I33 PolarHBondContact O-N 3.03Å; L31-F37 HydrophobicContact CD1-CZ 4.46Å; L31-K47 HydrophobicContact CD2-CB 4.37Å; L31-K47 HydrophobicContact CD2-CD 4.11Å; L31-K47 HydrophobicContact CD2-CG 4.19Å; L31-L51 HydrophobicContact CD1-CD1 4.2Å; L31-L51 HydrophobicContact CD1-CD2 3.28Å; L31-L51 HydrophobicContact CD1-CG 3.65Å
32D67.5Low82.6Confident169 Ų16968.7 Ų68.790%0.90434%0.337SS*.  trans-79.642.8171.6-79.8-21.8000112.6Q30Q30-D32 PolarHBondContact O-N 3.31Å
33I69Low82.3Confident39 Ų3970 Ų7020%0.234%0.342CS..  trans-97.5106.5175.1-56176000108.1L31 G35 F37 Y43L31-I33 HydrophobicContact CD2-CD1 4.22Å; L31-I33 PolarHBondContact O-N 3.03Å; I33-G35 VanDerWaalsContact C-N 3.3Å; I33-G35 PolarHBondContact O-N 2.71Å; I33-F37 HydrophobicContact CD1-CD1 4.13Å; I33-F37 HydrophobicContact CD1-CE1 3.4Å; I33-F37 HydrophobicContact CD1-CZ 3.81Å; I33-Y43 HydrophobicContact CD1-CE1 4.19Å
34E58Low82.1Confident152 Ų15272.3 Ų72.371%0.7135%0.353SS*.  trans-75.477.5172.2-71.1-169.4169.300110.5H378E34-H378 IonicContact OE2-CE1 3.52Å; E34-H378 PolarHBondContact OE2-CE1 3.24Å; E34-H378 VanDerWaalsContact OE2-CE1 3.28Å; E34-H378 IonicContact OE2-ND1 3.31Å
35G68.8Low81.9Confident35 Ų3571.3 Ų71.336%0.36135%0.348SS..SBendtrans142.6-154.3174.700000114.3I33I33-G35 VanDerWaalsContact C-N 3.3Å; I33-G35 PolarHBondContact O-N 2.71Å
36Q78.8Confident81.8Confident124 Ų12473.5 Ų73.558%0.57937%0.366SS*.SBendtrans-88.3156.2177.1-68.5175.8-13.300110.5L38Q36-L38 PolarHBondContact O-N 2.94Å
37F85.5Confident81.7Confident8 Ų875.3 Ų75.34%0.03537%0.374CS..PPolyproline II helixtrans-65.4124.9170.1-76.7-80.7000111N6 H7 E10 W22 L31 I33 V39 Y43 L51N6-F37 HydrophobicContact CB-CB 4.18Å; N6-F37 HydrophobicContact CB-CD1 3.57Å; N6-F37 HydrophobicContact CB-CD2 3.85Å; N6-F37 HydrophobicContact CB-CE1 3.85Å; N6-F37 HydrophobicContact CB-CE2 4.11Å; N6-F37 HydrophobicContact CB-CG 3.58Å; N6-F37 HydrophobicContact CB-CZ 4.12Å; H7-F37 HydrophobicContact CB-CB 4.08Å; E10-F37 HydrophobicContact CB-CD2 4.4Å; E10-F37 PolarHBondContact OE2-N 3.43Å; W22-F37 AromaticContact CH2-CE2 3.99Å; W22-F37 HydrophobicContact CH2-CE2 3.99Å; W22-F37 HydrophobicContact CZ2-CD2 4.37Å; W22-F37 AromaticContact CZ2-CE2 3.86Å; W22-F37 HydrophobicContact CZ2-CE2 3.86Å; L31-F37 HydrophobicContact CD1-CZ 4.46Å; I33-F37 HydrophobicContact CD1-CD1 4.13Å; I33-F37 HydrophobicContact CD1-CE1 3.4Å; I33-F37 HydrophobicContact CD1-CZ 3.81Å; F37-V39 PolarHBondContact O-N 3.16Å; F37-Y43 HydrophobicContact CD1-CD1 4.44Å; F37-Y43 HydrophobicContact CD1-CD2 4.24Å; F37-Y43 HydrophobicContact CD1-CE1 4.09Å; F37-Y43 AromaticContact CD1-CE2 3.87Å; F37-Y43 HydrophobicContact CD1-CE2 3.87Å; F37-Y43 AromaticContact CD1-CZ 3.79Å; F37-Y43 HydrophobicContact CE1-CD1 4.4Å; F37-Y43 HydrophobicContact CE1-CE1 4.33Å; F37-L51 HydrophobicContact CE2-CD1 4Å; F37-L51 HydrophobicContact CZ-CD1 3.77Å
38L84.1Confident81.8Confident30 Ų3067.3 Ų67.316%0.15734%0.344CS..PPolyproline II helixtrans-73.8123.6174.5-61.2-173.8000109.2G3 Q36 R40 I41 Y43 E370G3-L38 WeakPolarHBondContact CA-O 3.49Å; Q36-L38 PolarHBondContact O-N 2.94Å; L38-R40 VanDerWaalsContact C-N 3.34Å; L38-R40 PolarHBondContact O-N 3.4Å; L38-I41 HydrophobicContact CB-CB 4.3Å; L38-I41 HydrophobicContact CB-CD1 3.74Å; L38-I41 HydrophobicContact CB-CG1 3.84Å; L38-I41 HydrophobicContact CD1-CD1 3.49Å; L38-I41 VanDerWaalsContact CD1-CD1 3.49Å; L38-I41 HydrophobicContact CD1-CG1 4.43Å; L38-I41 HydrophobicContact CG-CD1 4.17Å; L38-I41 PolarHBondContact O-N 2.88Å; L38-Y43 PolarHBondContact N-OH 3.04Å; L38-Y43 VanDerWaalsContact N-OH 3.15Å; L38-E370 VanDerWaalsContact CA-OE1 3.24Å; L38-E370 WeakPolarHBondContact CA-OE1 3.48Å; L38-E370 HydrophobicContact CB-CG 4.28Å; L38-E370 WeakPolarHBondContact CB-OE1 3.38Å; L38-E370 HydrophobicContact CD1-CG 4.39Å; L38-E370 HydrophobicContact CD2-CG 3.81Å; L38-E370 HydrophobicContact CG-CG 4.37Å
39V84.8Confident81.9Confident36 Ų3666.8 Ų66.822%0.21834%0.339CS..THydrogen-bonded Turntrans-66.1-38.2-163.5173.90000111.6F4 H7 F37 E370F4-V39 HydrophobicContact CB-CG1 3.81Å; F4-V39 HydrophobicContact CD2-CG1 3.48Å; F4-V39 VanDerWaalsContact CD2-CG1 3.48Å; F4-V39 HydrophobicContact CG-CG1 4.11Å; F4-V39 PolarHBondContact N-O 3.45Å; H7-V39 HydrophobicContact CB-CG2 4.48Å; F37-V39 PolarHBondContact O-N 3.16Å; V39-E370 PolarHBondContact N-OE1 3.28Å
40R82Confident82Confident57 Ų5770.1 Ų70.122%0.21536%0.355CS..THydrogen-bonded Turntrans-93.614.9-176-63.8-179.2-179.2-104.42.8113.9L38 Y363 T366 Q367 E370L38-R40 VanDerWaalsContact C-N 3.34Å; L38-R40 PolarHBondContact O-N 3.4Å; R40-Y363 HydrophobicContact CB-CE2 4.12Å; R40-Y363 HydrophobicContact CG-CE2 4.04Å; R40-Y363 PolarHBondContact O-OH 2.77Å; R40-T366 VanDerWaalsContact NE-CG2 3.32Å; R40-Q367 HydrophobicContact CB-CB 4.34Å; R40-Q367 HydrophobicContact CB-CG 4.35Å; R40-Q367 PolarHBondContact O-NE2 2.86Å; R40-E370 PolarHBondContact N-OE2 2.87Å
41I82.5Confident82.3Confident40 Ų4061.9 Ų61.921%0.20532%0.316CS..PPolyproline II helixtrans-102.7135.9174.8-61.7-169000109.9G3 L38 Y43 I371G3-I41 WeakPolarHBondContact CA-O 3.46Å; G3-I41 PolarHBondContact N-O 2.9Å; L38-I41 HydrophobicContact CB-CB 4.3Å; L38-I41 HydrophobicContact CB-CD1 3.74Å; L38-I41 HydrophobicContact CB-CG1 3.84Å; L38-I41 HydrophobicContact CD1-CD1 3.49Å; L38-I41 VanDerWaalsContact CD1-CD1 3.49Å; L38-I41 HydrophobicContact CD1-CG1 4.43Å; L38-I41 HydrophobicContact CG-CD1 4.17Å; L38-I41 PolarHBondContact O-N 2.88Å; I41-Y43 HydrophobicContact CB-CE2 3.82Å; I41-Y43 HydrophobicContact CG2-CD2 4.31Å; I41-Y43 HydrophobicContact CG2-CE1 4.35Å; I41-Y43 HydrophobicContact CG2-CE2 3.89Å; I41-Y43 WeakPolarHBondContact O-CD2 3.27Å; I41-Y43 WeakPolarHBondContact O-CE2 3.37Å; I41-I371 HydrophobicContact CD1-CD1 4.45Å; I41-I371 HydrophobicContact CD1-CG1 4.19Å
42I84.1Confident82.8Confident80 Ų8061.4 Ų61.441%0.4131%0.314SS..BIsolated β-bridgetrans-86.9123.1171.4-56.6175.4000108Y2Y2-I42 HydrophobicContact CD1-CG1 4.02Å; Y2-I42 HydrophobicContact CD2-CG1 4.25Å; Y2-I42 HydrophobicContact CE1-CD1 4.23Å; Y2-I42 HydrophobicContact CE1-CG1 3.69Å; Y2-I42 HydrophobicContact CE2-CD1 3.95Å; Y2-I42 HydrophobicContact CE2-CG1 3.92Å; Y2-I42 HydrophobicContact CG-CG1 4.3Å
43Y86.2Confident84Confident34 Ų3455.5 Ų55.513%0.13329%0.289CS..PPolyproline II helixtrans-101.7161.9174-63.9-91.8000109.9M1 I33 F37 L38 I41 K47M1-Y43 PolarHBondContact N-O 3.35Å; M1-Y43 PolarHBondContact O-N 2.97Å; I33-Y43 HydrophobicContact CD1-CE1 4.19Å; F37-Y43 HydrophobicContact CD1-CD1 4.44Å; F37-Y43 HydrophobicContact CD1-CD2 4.24Å; F37-Y43 HydrophobicContact CD1-CE1 4.09Å; F37-Y43 AromaticContact CD1-CE2 3.87Å; F37-Y43 HydrophobicContact CD1-CE2 3.87Å; F37-Y43 AromaticContact CD1-CZ 3.79Å; F37-Y43 HydrophobicContact CE1-CD1 4.4Å; F37-Y43 HydrophobicContact CE1-CE1 4.33Å; L38-Y43 PolarHBondContact N-OH 3.04Å; L38-Y43 VanDerWaalsContact N-OH 3.15Å; I41-Y43 HydrophobicContact CB-CE2 3.82Å; I41-Y43 HydrophobicContact CG2-CD2 4.31Å; I41-Y43 HydrophobicContact CG2-CE1 4.35Å; I41-Y43 HydrophobicContact CG2-CE2 3.89Å; I41-Y43 WeakPolarHBondContact O-CD2 3.27Å; I41-Y43 WeakPolarHBondContact O-CE2 3.37Å; Y43-K47 HydrophobicContact CD1-CD 4.27Å
44E86.1Confident85.1Confident141 Ų14153.8 Ų53.866%0.65928%0.28SS*.PPolyproline II helixtrans-62.2142.1171.1-67177.2178.800111.1A46 K47E44-A46 PolarHBondContact O-N 3.34Å; E44-K47 PolarHBondContact O-N 3.28Å
45D86.9Confident86.8Confident50 Ų5046.6 Ų46.627%0.26725%0.247SC..Hα-helixtrans-61.7-30.8-179.9-72.4-2000111.9M1 K47 T48 Y49 R139M1-D45 WeakPolarHBondContact CA-OD1 3.07Å; M1-D45 HydrophobicContact CE-CB 4.36Å; M1-D45 WeakPolarHBondContact CG-OD1 3.32Å; M1-D45 PolarHBondContact N-OD1 3.28Å; D45-K47 VanDerWaalsContact C-N 3.26Å; D45-K47 PolarHBondContact O-N 2.73Å; D45-T48 PolarHBondContact O-N 2.97Å; D45-T48 VanDerWaalsContact O-N 3.12Å; D45-Y49 HydrophobicContact CB-CD2 4.46Å; D45-Y49 HydrophobicContact CB-CE2 3.92Å; D45-Y49 WeakPolarHBondContact O-CD2 3.47Å; D45-Y49 PolarHBondContact O-N 3.04Å; D45-R139 IonicContact OD1-CZ 3.77Å; D45-R139 IonicContact OD1-NE 2.72Å; D45-R139 PolarHBondContact OD1-NE 3.44Å; D45-R139 IonicContact OD1-NH2 3.26Å; D45-R139 WeakPolarHBondContact OD2-CD 3.18Å; D45-R139 IonicContact OD2-CZ 3.3Å; D45-R139 IonicContact OD2-NE 2.69Å; D45-R139 PolarHBondContact OD2-NE 2.97Å; D45-R139 IonicContact OD2-NH2 2.77Å
46A88.3Confident88Confident46 Ų4646.4 Ų46.438%0.3824%0.24SC..Hα-helixtrans-51.6-42.6175.800000112.5E44 T48 Y49 D50E44-A46 PolarHBondContact O-N 3.34Å; A46-T48 VanDerWaalsContact C-N 3.29Å; A46-T48 PolarHBondContact O-N 3.38Å; A46-Y49 PolarHBondContact O-N 3.47Å; A46-Y49 VanDerWaalsContact O-N 3.11Å; A46-D50 WeakPolarHBondContact O-CB 3.41Å; A46-D50 VanDerWaalsContact O-CG 3.23Å; A46-D50 PolarHBondContact O-N 2.96Å
47K88.9Confident88.7Confident66 Ų6646.8 Ų46.829%0.28724%0.24SC..Hα-helixtrans-59.9-38.6-179.1-66.1-172.5177.4-176.40112.7L31 Y43 E44 D45 L51L31-K47 HydrophobicContact CD2-CB 4.37Å; L31-K47 HydrophobicContact CD2-CD 4.11Å; L31-K47 HydrophobicContact CD2-CG 4.19Å; Y43-K47 HydrophobicContact CD1-CD 4.27Å; E44-K47 PolarHBondContact O-N 3.28Å; D45-K47 VanDerWaalsContact C-N 3.26Å; D45-K47 PolarHBondContact O-N 2.73Å; K47-L51 WeakPolarHBondContact O-CB 3.25Å; K47-L51 VanDerWaalsContact O-CG 3.24Å; K47-L51 WeakPolarHBondContact O-CG 3.35Å; K47-L51 PolarHBondContact O-N 3.38Å
48T90.4Very high89Confident6 Ų648.9 Ų48.94%0.03725%0.253CS..Hα-helixtrans-71.7-40178.2-46.90000110.9M1 N6 D45 A46 L51 V52M1-T48 HydrophobicContact CE-CG2 3.52Å; M1-T48 WeakPolarHBondContact CE-OG1 3.43Å; M1-T48 HydrophobicContact SD-CG2 3.81Å; N6-T48 PolarHBondContact OD1-OG1 2.8Å; D45-T48 PolarHBondContact O-N 2.97Å; D45-T48 VanDerWaalsContact O-N 3.12Å; A46-T48 VanDerWaalsContact C-N 3.29Å; A46-T48 PolarHBondContact O-N 3.38Å; T48-L51 PolarHBondContact O-N 3.19Å; T48-V52 WeakPolarHBondContact O-CG2 3.07Å; T48-V52 PolarHBondContact O-N 2.87Å
49Y91.9Very high89.4Confident79 Ų7949.1 Ų49.131%0.3125%0.254SS..Hα-helixtrans-63.5-43.5175.1-63.9-60.1000111.6D45 A46 L51 V52 A53 E140 L142D45-Y49 HydrophobicContact CB-CD2 4.46Å; D45-Y49 HydrophobicContact CB-CE2 3.92Å; D45-Y49 WeakPolarHBondContact O-CD2 3.47Å; D45-Y49 PolarHBondContact O-N 3.04Å; A46-Y49 PolarHBondContact O-N 3.47Å; A46-Y49 VanDerWaalsContact O-N 3.11Å; Y49-L51 VanDerWaalsContact C-N 3.34Å; Y49-L51 PolarHBondContact O-N 3.1Å; Y49-V52 PolarHBondContact O-N 3.37Å; Y49-A53 WeakPolarHBondContact O-CB 3.49Å; Y49-A53 PolarHBondContact O-N 3.37Å; Y49-E140 WeakPolarHBondContact CE1-O 3.22Å; Y49-E140 PolarHBondContact OH-O 3.34Å; Y49-E140 VanDerWaalsContact OH-O 3.07Å; Y49-L142 HydrophobicContact CD1-CD2 4.36Å; Y49-L142 HydrophobicContact CE1-CD2 3.72Å; Y49-L142 HydrophobicContact CE1-CG 4Å
50D91.3Very high89.7Confident85 Ų8556.3 Ų56.346%0.45528%0.283SS..Hα-helixtrans-63.6-39.8177.4-67.4-29.2000111.5A46 A53 A54A46-D50 WeakPolarHBondContact O-CB 3.41Å; A46-D50 VanDerWaalsContact O-CG 3.23Å; A46-D50 PolarHBondContact O-N 2.96Å; D50-A53 PolarHBondContact O-N 2.94Å; D50-A54 WeakPolarHBondContact O-CB 3.43Å; D50-A54 PolarHBondContact O-N 2.98Å
51L91.4Very high90.2Very high0 Ų055.1 Ų55.10%028%0.282CS..Hα-helixtrans-60.5-47.5173.6-82.5170.1000112.5L9 W22 I25 A29 L31 F37 K47 T48 Y49 A54 A55L9-L51 HydrophobicContact CD1-CB 4.41Å; L9-L51 HydrophobicContact CD2-CB 4.11Å; L9-L51 HydrophobicContact CD2-CD1 4.38Å; W22-L51 HydrophobicContact CH2-CD1 4.49Å; W22-L51 HydrophobicContact CH2-CD2 3.72Å; W22-L51 HydrophobicContact CZ3-CD2 3.92Å; I25-L51 HydrophobicContact CG2-CD2 4.12Å; A29-L51 HydrophobicContact CB-CD2 4.43Å; L31-L51 HydrophobicContact CD1-CD1 4.2Å; L31-L51 HydrophobicContact CD1-CD2 3.28Å; L31-L51 HydrophobicContact CD1-CG 3.65Å; F37-L51 HydrophobicContact CE2-CD1 4Å; F37-L51 HydrophobicContact CZ-CD1 3.77Å; K47-L51 WeakPolarHBondContact O-CB 3.25Å; K47-L51 VanDerWaalsContact O-CG 3.24Å; K47-L51 WeakPolarHBondContact O-CG 3.35Å; K47-L51 PolarHBondContact O-N 3.38Å; T48-L51 PolarHBondContact O-N 3.19Å; Y49-L51 VanDerWaalsContact C-N 3.34Å; Y49-L51 PolarHBondContact O-N 3.1Å; L51-A54 PolarHBondContact O-N 3.38Å; L51-A55 VanDerWaalsContact O-CB 3.22Å; L51-A55 WeakPolarHBondContact O-CB 3.41Å; L51-A55 PolarHBondContact O-N 3.36Å
52V92.6Very high90.8Very high12 Ų1258.6 Ų58.67%0.07330%0.301CS..Hα-helixtrans-65.6-42.1179.1174.90000110.4L9 T48 Y49 A55 S56 A63 L67L9-V52 HydrophobicContact CD1-CG2 3.67Å; T48-V52 WeakPolarHBondContact O-CG2 3.07Å; T48-V52 PolarHBondContact O-N 2.87Å; Y49-V52 PolarHBondContact O-N 3.37Å; V52-A55 PolarHBondContact O-N 3.15Å; V52-S56 WeakPolarHBondContact O-CB 3.46Å; V52-S56 PolarHBondContact O-N 2.81Å; V52-A63 HydrophobicContact CG1-CB 4.24Å; V52-L67 HydrophobicContact CG1-CD2 4.07Å; V52-L67 HydrophobicContact CG1-CG 4.07Å; V52-L67 HydrophobicContact CG2-CD2 3.92Å
53A92.8Very high91.1Very high46 Ų4656.4 Ų56.438%0.3830%0.295SS..Hα-helixtrans-64.8-42.8177.200000112.3Y49 D50 S56 K57Y49-A53 WeakPolarHBondContact O-CB 3.49Å; Y49-A53 PolarHBondContact O-N 3.37Å; D50-A53 PolarHBondContact O-N 2.94Å; A53-S56 PolarHBondContact O-N 2.89Å; A53-K57 WeakPolarHBondContact O-CG 3.39Å; A53-K57 PolarHBondContact O-N 2.81Å; A53-K57 VanDerWaalsContact O-N 3.14Å
54A92.5Very high91.3Very high2 Ų255.2 Ų55.22%0.01729%0.293CS..Hα-helixtrans-65-44.3174.900000111.5I25 E28 A29 D50 L51 S56 K57 V58I25-A54 HydrophobicContact CG2-CB 4.09Å; E28-A54 HydrophobicContact CB-CB 4.05Å; E28-A54 HydrophobicContact CG-CB 3.81Å; A29-A54 HydrophobicContact CB-CB 3.8Å; D50-A54 WeakPolarHBondContact O-CB 3.43Å; D50-A54 PolarHBondContact O-N 2.98Å; L51-A54 PolarHBondContact O-N 3.38Å; A54-S56 VanDerWaalsContact C-N 3.32Å; A54-S56 PolarHBondContact O-N 3.39Å; A54-K57 PolarHBondContact O-N 3.25Å; A54-V58 WeakPolarHBondContact O-CG2 3.36Å; A54-V58 PolarHBondContact O-N 2.69Å
55A92.9Very high91.5Very high2 Ų254 Ų542%0.01729%0.287CS..Hα-helixtrans-59.3-42.5175.300000111.7I25 L51 V52 K57 V58 L59 I66I25-A55 HydrophobicContact CD1-CB 3.9Å; I25-A55 HydrophobicContact CG2-CB 4.48Å; L51-A55 VanDerWaalsContact O-CB 3.22Å; L51-A55 WeakPolarHBondContact O-CB 3.41Å; L51-A55 PolarHBondContact O-N 3.36Å; V52-A55 PolarHBondContact O-N 3.15Å; A55-K57 PolarHBondContact O-N 3.22Å; A55-V58 PolarHBondContact O-N 3.08Å; A55-L59 HydrophobicContact CB-CD1 4.37Å; A55-L59 WeakPolarHBondContact O-CB 3.39Å; A55-L59 VanDerWaalsContact O-CG 3.3Å; A55-L59 WeakPolarHBondContact O-CG 3.48Å; A55-L59 PolarHBondContact O-N 3.19Å; A55-I66 HydrophobicContact CB-CD1 4.11Å
56S94.2Very high91.8Very high30 Ų3052 Ų5221%0.2128%0.276CS..Hα-helixtrans-59.4-43.9175.7-179.30000112.3V52 A53 A54 K60 V61V52-S56 WeakPolarHBondContact O-CB 3.46Å; V52-S56 PolarHBondContact O-N 2.81Å; A53-S56 PolarHBondContact O-N 2.89Å; A54-S56 VanDerWaalsContact C-N 3.32Å; A54-S56 PolarHBondContact O-N 3.39Å; S56-K60 VanDerWaalsContact O-CA 3.23Å; S56-K60 WeakPolarHBondContact O-CA 3.4Å; S56-K60 PolarHBondContact O-N 2.85Å; S56-V61 WeakPolarHBondContact CA-O 3.44Å; S56-V61 WeakPolarHBondContact CB-O 3.46Å; S56-V61 PolarHBondContact O-N 3.25Å; S56-V61 PolarHBondContact OG-O 3.02Å
57K93.1Very high92.1Very high133 Ų13350.3 Ų50.358%0.57826%0.261SS*.Hα-helixtrans-66.4-45.8176.9-69.9171.2175.9176.70113.1E28 A53 A54 A55E28-K57 HydrophobicContact CG-CD 4.29Å; E28-K57 VanDerWaalsContact OE1-CD 3.26Å; E28-K57 WeakPolarHBondContact OE1-CD 3.45Å; E28-K57 IonicContact OE1-NZ 3.49Å; E28-K57 PolarHBondContact OE1-NZ 3.45Å; A53-K57 WeakPolarHBondContact O-CG 3.39Å; A53-K57 PolarHBondContact O-N 2.81Å; A53-K57 VanDerWaalsContact O-N 3.14Å; A54-K57 PolarHBondContact O-N 3.25Å; A55-K57 PolarHBondContact O-N 3.22Å
58V92.5Very high92.4Very high51 Ų5150.1 Ų50.131%0.30926%0.261SS..Hα-helixtrans-71.8-46.3-175.1173.60000111V21 D24 I25 E28 A54 A55 K60V21-V58 HydrophobicContact CG1-CG1 4.2Å; D24-V58 HydrophobicContact CB-CG1 4.43Å; I25-V58 HydrophobicContact CG1-CB 3.88Å; I25-V58 HydrophobicContact CG1-CG1 4Å; I25-V58 HydrophobicContact CG1-CG2 3.99Å; E28-V58 HydrophobicContact CB-CG2 4.29Å; A54-V58 WeakPolarHBondContact O-CG2 3.36Å; A54-V58 PolarHBondContact O-N 2.69Å; A55-V58 PolarHBondContact O-N 3.08Å; V58-K60 VanDerWaalsContact C-N 3.33Å
59L91.4Very high92.5Very high35 Ų3552.7 Ų52.718%0.18327%0.273CS..Hα-helixtrans-79.2-17.8-179.3-59.7174.4000112.7Y17 V21 A55 V61 I66Y17-L59 HydrophobicContact CD1-CD2 3.77Å; Y17-L59 HydrophobicContact CD2-CD1 4.2Å; Y17-L59 HydrophobicContact CD2-CD2 4.04Å; Y17-L59 HydrophobicContact CE1-CD2 3.92Å; Y17-L59 HydrophobicContact CE2-CD1 3.81Å; Y17-L59 HydrophobicContact CE2-CD2 4.18Å; Y17-L59 HydrophobicContact CG-CD2 3.83Å; V21-L59 HydrophobicContact CG1-CD2 3.67Å; A55-L59 HydrophobicContact CB-CD1 4.37Å; A55-L59 WeakPolarHBondContact O-CB 3.39Å; A55-L59 VanDerWaalsContact O-CG 3.3Å; A55-L59 WeakPolarHBondContact O-CG 3.48Å; A55-L59 PolarHBondContact O-N 3.19Å; L59-V61 HydrophobicContact CB-CB 4.44Å; L59-V61 HydrophobicContact CB-CG2 4.12Å; L59-V61 PolarHBondContact O-N 3.09Å; L59-I66 HydrophobicContact CD1-CD1 4.31Å
60K91.8Very high92.6Very high188 Ų18849.2 Ų49.282%0.81726%0.26SS*.THydrogen-bonded Turntrans58.634.5-173.6-54.3177.7-179.3175.50113S56 V58S56-K60 VanDerWaalsContact O-CA 3.23Å; S56-K60 WeakPolarHBondContact O-CA 3.4Å; S56-K60 PolarHBondContact O-N 2.85Å; V58-K60 VanDerWaalsContact C-N 3.33Å
61V92.9Very high92.7Very high32 Ų3245.2 Ų45.219%0.19424%0.238CC..  trans-110.9145.3176.4179.40000108S56 L59 E65 I66S56-V61 WeakPolarHBondContact CA-O 3.44Å; S56-V61 WeakPolarHBondContact CB-O 3.46Å; S56-V61 PolarHBondContact O-N 3.25Å; S56-V61 PolarHBondContact OG-O 3.02Å; L59-V61 HydrophobicContact CB-CB 4.44Å; L59-V61 HydrophobicContact CB-CG2 4.12Å; L59-V61 PolarHBondContact O-N 3.09Å; V61-E65 HydrophobicContact CG1-CB 3.79Å; V61-E65 HydrophobicContact CG1-CG 3.87Å; V61-I66 HydrophobicContact CB-CD1 4.14Å; V61-I66 HydrophobicContact CB-CG1 4Å; V61-I66 HydrophobicContact CG1-CG1 3.87Å
62D93.6Very high92.8Very high112 Ų11249.8 Ų49.860%0.59926%0.258SS*.  trans-60.8143.6177.3-175.873.5000111.2G64 E65 I66D62-G64 PolarHBondContact O-N 3.22Å; D62-G64 PolarHBondContact OD2-N 3.4Å; D62-E65 PolarHBondContact O-N 3.3Å; D62-E65 VanDerWaalsContact O-N 3.15Å; D62-I66 PolarHBondContact O-N 3.43Å
63A91.1Very high92.9Very high35 Ų3549.9 Ų49.929%0.28926%0.258SS..Hα-helixtrans-59.5-35.6-178.100000112.2V52 I66 L67V52-A63 HydrophobicContact CG1-CB 4.24Å; A63-I66 PolarHBondContact O-N 2.83Å; A63-L67 WeakPolarHBondContact O-CB 3.29Å; A63-L67 VanDerWaalsContact O-CG 3.26Å; A63-L67 WeakPolarHBondContact O-CG 3.31Å; A63-L67 PolarHBondContact O-N 3.45Å
64G90.7Very high93Very high8 Ų849.7 Ų49.78%0.08225%0.248CC..Hα-helixtrans-66.8-37.4177.700000112.6D62 L67 Q68D62-G64 PolarHBondContact O-N 3.22Å; D62-G64 PolarHBondContact OD2-N 3.4Å; G64-L67 PolarHBondContact O-N 3.2Å; G64-Q68 WeakPolarHBondContact O-CG 3.41Å; G64-Q68 PolarHBondContact O-N 3.11Å
65E91.4Very high93Very high117 Ų11749.8 Ų49.855%0.54725%0.249SC..Hα-helixtrans-69.1-40.2175.8-173171.5-167.700111.3V61 D62 L67 Q68 M69V61-E65 HydrophobicContact CG1-CB 3.79Å; V61-E65 HydrophobicContact CG1-CG 3.87Å; D62-E65 PolarHBondContact O-N 3.3Å; D62-E65 VanDerWaalsContact O-N 3.15Å; E65-L67 VanDerWaalsContact C-N 3.34Å; E65-L67 PolarHBondContact O-N 2.78Å; E65-Q68 PolarHBondContact O-N 2.78Å; E65-M69 WeakPolarHBondContact O-CG 3.29Å; E65-M69 PolarHBondContact O-N 2.93Å
66I93.2Very high93Very high6 Ų651.7 Ų51.73%0.03126%0.257CS..Hα-helixtrans-60.7-43.2172.3-66.9174.1000111A55 L59 V61 D62 A63 Q68 M69 F70A55-I66 HydrophobicContact CB-CD1 4.11Å; L59-I66 HydrophobicContact CD1-CD1 4.31Å; V61-I66 HydrophobicContact CB-CD1 4.14Å; V61-I66 HydrophobicContact CB-CG1 4Å; V61-I66 HydrophobicContact CG1-CG1 3.87Å; D62-I66 PolarHBondContact O-N 3.43Å; A63-I66 PolarHBondContact O-N 2.83Å; I66-Q68 VanDerWaalsContact C-N 3.33Å; I66-Q68 PolarHBondContact O-N 2.98Å; I66-M69 PolarHBondContact O-N 2.84Å; I66-F70 VanDerWaalsContact O-CB 3.29Å; I66-F70 WeakPolarHBondContact O-CB 3.49Å; I66-F70 PolarHBondContact O-N 3.43Å
67L93.6Very high92.9Very high11 Ų1151.3 Ų51.36%0.05825%0.252CS..Hα-helixtrans-66.2-33.6178.3-73.1172.3000112.6V52 A63 G64 E65 F70 G71 G141 D144 I145V52-L67 HydrophobicContact CG1-CD2 4.07Å; V52-L67 HydrophobicContact CG1-CG 4.07Å; V52-L67 HydrophobicContact CG2-CD2 3.92Å; A63-L67 WeakPolarHBondContact O-CB 3.29Å; A63-L67 VanDerWaalsContact O-CG 3.26Å; A63-L67 WeakPolarHBondContact O-CG 3.31Å; A63-L67 PolarHBondContact O-N 3.45Å; G64-L67 PolarHBondContact O-N 3.2Å; E65-L67 VanDerWaalsContact C-N 3.34Å; E65-L67 PolarHBondContact O-N 2.78Å; L67-F70 WeakPolarHBondContact O-CB 3.29Å; L67-F70 PolarHBondContact O-N 3.13Å; L67-G71 PolarHBondContact O-N 3.31Å; L67-G141 WeakPolarHBondContact CD1-O 3.14Å; L67-D144 HydrophobicContact CB-CB 3.68Å; L67-D144 HydrophobicContact CD1-CB 4.23Å; L67-I145 HydrophobicContact CB-CG1 4.16Å; L67-I145 HydrophobicContact CD2-CD1 3.98Å; L67-I145 HydrophobicContact CD2-CG1 3.77Å; L67-I145 HydrophobicContact CG-CG1 4.47Å
68Q94.1Very high92.8Very high62 Ų6245.7 Ų45.729%0.2923%0.229SC..Hα-helixtrans-68.4-44.3172-75.2-177.854.100111.8G64 E65 I66 F70 G71 K72 D144 I147 G148G64-Q68 WeakPolarHBondContact O-CG 3.41Å; G64-Q68 PolarHBondContact O-N 3.11Å; E65-Q68 PolarHBondContact O-N 2.78Å; I66-Q68 VanDerWaalsContact C-N 3.33Å; I66-Q68 PolarHBondContact O-N 2.98Å; Q68-F70 VanDerWaalsContact C-N 3.27Å; Q68-F70 PolarHBondContact O-N 3.47Å; Q68-G71 PolarHBondContact O-N 3.46Å; Q68-K72 PolarHBondContact O-N 3.26Å; Q68-K72 VanDerWaalsContact O-N 3.09Å; Q68-D144 HydrophobicContact CG-CB 4.24Å; Q68-D144 WeakPolarHBondContact CG-O 3.49Å; Q68-I147 HydrophobicContact CG-CB 4.16Å; Q68-I147 HydrophobicContact CG-CG2 4.12Å; Q68-G148 WeakPolarHBondContact O-CA 3.32Å
69M93.3Very high92.7Very high61 Ų6145.1 Ų45.130%0.322%0.223SC..Hα-helixtrans-60.6-40.6173.4-67.4-176.881.100111.2L12 E65 I66 K72 M73L12-M69 HydrophobicContact CD1-CB 3.96Å; E65-M69 WeakPolarHBondContact O-CG 3.29Å; E65-M69 PolarHBondContact O-N 2.93Å; I66-M69 PolarHBondContact O-N 2.84Å; M69-K72 PolarHBondContact O-N 3.28Å; M69-M73 PolarHBondContact O-N 3.45Å
70F94.6Very high92.6Very high6 Ų648.8 Ų48.83%0.02624%0.239CC..Hα-helixtrans-60.8-45.9173.2172.6-99.5000111.3V5 A8 L9 L12 I66 L67 Q68 K72 M73 F74 I145V5-F70 HydrophobicContact CG1-CE1 4.18Å; V5-F70 HydrophobicContact CG1-CZ 3.6Å; V5-F70 WeakPolarHBondContact O-CE2 3.4Å; A8-F70 HydrophobicContact CB-CE2 3.87Å; A8-F70 HydrophobicContact CB-CZ 4.38Å; L9-F70 HydrophobicContact CB-CD2 3.84Å; L9-F70 HydrophobicContact CB-CE2 3.71Å; L9-F70 HydrophobicContact CD1-CD2 4.37Å; L9-F70 HydrophobicContact CG-CD2 4.18Å; L9-F70 HydrophobicContact CG-CE2 4.48Å; L12-F70 HydrophobicContact CD2-CB 3.98Å; I66-F70 VanDerWaalsContact O-CB 3.29Å; I66-F70 WeakPolarHBondContact O-CB 3.49Å; I66-F70 PolarHBondContact O-N 3.43Å; L67-F70 WeakPolarHBondContact O-CB 3.29Å; L67-F70 PolarHBondContact O-N 3.13Å; Q68-F70 VanDerWaalsContact C-N 3.27Å; Q68-F70 PolarHBondContact O-N 3.47Å; F70-K72 VanDerWaalsContact C-N 3.29Å; F70-K72 PolarHBondContact O-N 3.16Å; F70-M73 PolarHBondContact O-N 3.29Å; F70-F74 HydrophobicContact CE1-CB 4.18Å; F70-F74 HydrophobicContact CE1-CD2 4.34Å; F70-F74 HydrophobicContact CE1-CG 4.36Å; F70-F74 HydrophobicContact CE2-CB 4.44Å; F70-F74 HydrophobicContact CE2-CD2 4.45Å; F70-F74 HydrophobicContact CZ-CB 4.08Å; F70-F74 AromaticContact CZ-CD2 3.77Å; F70-F74 HydrophobicContact CZ-CD2 3.77Å; F70-F74 HydrophobicContact CZ-CG 4.17Å; F70-F74 WeakPolarHBondContact O-CB 3.37Å; F70-F74 PolarHBondContact O-N 2.95Å; F70-I145 HydrophobicContact CD1-CD1 3.83Å; F70-I145 HydrophobicContact CD1-CG1 3.92Å; F70-I145 HydrophobicContact CD1-CG2 4Å; F70-I145 HydrophobicContact CE1-CD1 3.8Å; F70-I145 HydrophobicContact CE1-CG1 4.33Å; F70-I145 HydrophobicContact CE1-CG2 4.02Å
71G93.5Very high92.3Very high0 Ų042.1 Ų42.10%022%0.217CC..Hα-helixtrans-57.1-41.517700000112.9L67 Q68 F75 I149L67-G71 PolarHBondContact O-N 3.31Å; Q68-G71 PolarHBondContact O-N 3.46Å; G71-F75 PolarHBondContact O-N 2.99Å; G71-F75 VanDerWaalsContact O-N 3.11Å; G71-I149 VanDerWaalsContact O-CG1 3.3Å; G71-I149 WeakPolarHBondContact O-CG1 3.47Å
72K93.9Very high92Very high96 Ų9643.5 Ų43.542%0.41724%0.237SC..Hα-helixtrans-62.5-53.4173.3177.4177.9176.2-177.40112Q68 M69 F70 F74 F75 E76 T152Q68-K72 PolarHBondContact O-N 3.26Å; Q68-K72 VanDerWaalsContact O-N 3.09Å; M69-K72 PolarHBondContact O-N 3.28Å; F70-K72 VanDerWaalsContact C-N 3.29Å; F70-K72 PolarHBondContact O-N 3.16Å; K72-F74 VanDerWaalsContact C-N 3.26Å; K72-F74 PolarHBondContact O-N 3.16Å; K72-F75 PolarHBondContact O-N 3.48Å; K72-E76 WeakPolarHBondContact CE-OE1 3.37Å; K72-E76 PolarHBondContact O-N 2.89Å; K72-E76 VanDerWaalsContact O-N 3.08Å; K72-T152 WeakPolarHBondContact CA-OG1 3.45Å; K72-T152 WeakPolarHBondContact CB-OG1 3.21Å; K72-T152 HydrophobicContact CG-CG2 4.05Å; K72-T152 WeakPolarHBondContact CG-OG1 3.47Å
73M94Very high91.8Very high14 Ų1440.4 Ų40.47%0.06922%0.217CC..Hα-helixtrans-62.3-34.6179.6-77-55.1-49.900112.8L12 M69 F70 E76 F77L12-M73 HydrophobicContact CB-CB 4.08Å; L12-M73 HydrophobicContact CB-CG 3.88Å; L12-M73 HydrophobicContact CD1-CB 4.08Å; L12-M73 HydrophobicContact CD1-CG 3.26Å; L12-M73 HydrophobicContact CG-CG 4.15Å; M69-M73 PolarHBondContact O-N 3.45Å; F70-M73 PolarHBondContact O-N 3.29Å; M73-E76 PolarHBondContact O-N 3.27Å; M73-F77 WeakPolarHBondContact O-CB 3.46Å; M73-F77 PolarHBondContact O-N 2.93Å
74F94.2Very high91.7Very high42 Ų4240.7 Ų40.718%0.18421%0.214CC..Hα-helixtrans-64.6-42.8177-177.6-100.2000110.8F4 V5 A8 F70 K72 F77 C78 I149F4-F74 AromaticContact CD1-CE2 3.75Å; F4-F74 HydrophobicContact CD1-CE2 3.75Å; F4-F74 HydrophobicContact CD1-CZ 4.18Å; F4-F74 AromaticContact CE1-CE2 3.68Å; F4-F74 HydrophobicContact CE1-CE2 3.68Å; F4-F74 AromaticContact CE1-CZ 3.95Å; F4-F74 HydrophobicContact CE1-CZ 3.95Å; V5-F74 HydrophobicContact CG2-CE2 4.17Å; A8-F74 HydrophobicContact CB-CD2 3.81Å; F70-F74 HydrophobicContact CE1-CB 4.18Å; F70-F74 HydrophobicContact CE1-CD2 4.34Å; F70-F74 HydrophobicContact CE1-CG 4.36Å; F70-F74 HydrophobicContact CE2-CB 4.44Å; F70-F74 HydrophobicContact CE2-CD2 4.45Å; F70-F74 HydrophobicContact CZ-CB 4.08Å; F70-F74 AromaticContact CZ-CD2 3.77Å; F70-F74 HydrophobicContact CZ-CD2 3.77Å; F70-F74 HydrophobicContact CZ-CG 4.17Å; F70-F74 WeakPolarHBondContact O-CB 3.37Å; F70-F74 PolarHBondContact O-N 2.95Å; K72-F74 VanDerWaalsContact C-N 3.26Å; K72-F74 PolarHBondContact O-N 3.16Å; F74-F77 PolarHBondContact O-N 3.24Å; F74-C78 PolarHBondContact O-N 3.04Å; F74-C78 PolarHBondContact O-SG 3.43Å; F74-I149 HydrophobicContact CD1-CD1 3.85Å; F74-I149 HydrophobicContact CD1-CG1 4.42Å; F74-I149 HydrophobicContact CE1-CD1 4.38Å
75F93.1Very high91.7Very high5 Ų545.4 Ų45.42%0.02224%0.241CC..Hα-helixtrans-62.7-47.5174.8-178.6-97.1000111.9G71 K72 F77 C78 Q79 L87 I149 T152 V153 I157G71-F75 PolarHBondContact O-N 2.99Å; G71-F75 VanDerWaalsContact O-N 3.11Å; K72-F75 PolarHBondContact O-N 3.48Å; F75-F77 VanDerWaalsContact C-N 3.3Å; F75-F77 PolarHBondContact O-N 3.37Å; F75-C78 WeakPolarHBondContact O-CB 3.43Å; F75-C78 PolarHBondContact O-N 2.99Å; F75-C78 VanDerWaalsContact O-N 3.15Å; F75-Q79 VanDerWaalsContact CE1-CD 3.49Å; F75-Q79 HydrophobicContact CE1-CG 4.12Å; F75-Q79 HydrophobicContact CZ-CG 4.31Å; F75-Q79 PolarHBondContact O-N 2.87Å; F75-Q79 VanDerWaalsContact O-N 3.09Å; F75-L87 HydrophobicContact CD2-CD1 4.31Å; F75-L87 HydrophobicContact CE2-CB 4.42Å; F75-L87 HydrophobicContact CE2-CD1 3.79Å; F75-L87 HydrophobicContact CE2-CD2 4.36Å; F75-L87 HydrophobicContact CE2-CG 4.42Å; F75-L87 HydrophobicContact CZ-CD1 4.4Å; F75-I149 HydrophobicContact CD2-CG2 4.44Å; F75-T152 HydrophobicContact CB-CG2 4.29Å; F75-T152 HydrophobicContact CD1-CG2 3.55Å; F75-T152 HydrophobicContact CE1-CG2 4.25Å; F75-T152 HydrophobicContact CG-CG2 4.17Å; F75-V153 HydrophobicContact CD2-CG2 3.63Å; F75-V153 HydrophobicContact CE2-CG2 3.34Å; F75-V153 HydrophobicContact CG-CG2 4.4Å; F75-V153 HydrophobicContact CZ-CG2 3.88Å; F75-I157 HydrophobicContact CE2-CD1 4.26Å; F75-I157 HydrophobicContact CZ-CD1 3.62Å; F75-I157 HydrophobicContact CZ-CG1 4.08Å
76E92.4Very high91.5Very high42 Ų4242.4 Ų42.420%0.19623%0.228CC..Hα-helixtrans-59.7-41.9175.7-69175.9-177.400111.3K72 M73 C78 Q79 E80 Q156K72-E76 WeakPolarHBondContact CE-OE1 3.37Å; K72-E76 PolarHBondContact O-N 2.89Å; K72-E76 VanDerWaalsContact O-N 3.08Å; M73-E76 PolarHBondContact O-N 3.27Å; E76-C78 PolarHBondContact O-N 2.99Å; E76-Q79 WeakPolarHBondContact O-CB 3.49Å; E76-Q79 PolarHBondContact O-N 3.06Å; E76-E80 WeakPolarHBondContact O-CG 3.33Å; E76-E80 PolarHBondContact O-N 3.04Å; E76-Q156 PolarHBondContact OE1-NE2 2.88Å
77F92.6Very high91.3Very high21 Ų2142.9 Ų42.99%0.09223%0.231CC..Hα-helixtrans-63.9-38.1175.9178.4-114000112.6F4 H7 A8 L11 M73 F74 F75 Q79 E80 S81F4-F77 HydrophobicContact CD1-CD1 4.35Å; F4-F77 AromaticContact CD1-CE1 3.94Å; F4-F77 HydrophobicContact CD1-CE1 3.94Å; F4-F77 AromaticContact CD2-CE1 3.73Å; F4-F77 HydrophobicContact CD2-CE1 3.73Å; F4-F77 HydrophobicContact CD2-CZ 4.31Å; F4-F77 AromaticContact CE1-CD1 3.69Å; F4-F77 HydrophobicContact CE1-CD1 3.69Å; F4-F77 AromaticContact CE1-CE1 3.59Å; F4-F77 HydrophobicContact CE1-CE1 3.59Å; F4-F77 HydrophobicContact CE2-CD1 4.12Å; F4-F77 AromaticContact CE2-CE1 3.35Å; F4-F77 HydrophobicContact CE2-CE1 3.35Å; F4-F77 AromaticContact CE2-CZ 3.95Å; F4-F77 HydrophobicContact CE2-CZ 3.95Å; F4-F77 AromaticContact CG-CE1 3.99Å; F4-F77 HydrophobicContact CG-CE1 3.99Å; F4-F77 AromaticContact CZ-CD1 3.55Å; F4-F77 HydrophobicContact CZ-CD1 3.55Å; F4-F77 AromaticContact CZ-CE1 3.27Å; F4-F77 HydrophobicContact CZ-CE1 3.27Å; F4-F77 HydrophobicContact CZ-CZ 4.23Å; H7-F77 AromaticContact CD2-CZ 3.8Å; A8-F77 HydrophobicContact CB-CB 4.38Å; A8-F77 HydrophobicContact CB-CD1 3.73Å; A8-F77 HydrophobicContact CB-CE1 4.29Å; A8-F77 HydrophobicContact CB-CG 4.17Å; L11-F77 HydrophobicContact CD1-CD2 3.53Å; L11-F77 HydrophobicContact CD1-CE2 3.56Å; L11-F77 HydrophobicContact CD1-CG 4.41Å; L11-F77 HydrophobicContact CD1-CZ 4.45Å; M73-F77 WeakPolarHBondContact O-CB 3.46Å; M73-F77 PolarHBondContact O-N 2.93Å; F74-F77 PolarHBondContact O-N 3.24Å; F75-F77 VanDerWaalsContact C-N 3.3Å; F75-F77 PolarHBondContact O-N 3.37Å; F77-Q79 VanDerWaalsContact C-N 3.32Å; F77-Q79 PolarHBondContact O-N 3.37Å; F77-E80 PolarHBondContact O-N 3.28Å; F77-S81 VanDerWaalsContact O-CB 3.24Å; F77-S81 WeakPolarHBondContact O-CB 3.46Å; F77-S81 PolarHBondContact O-N 3.38Å; F77-S81 PolarHBondContact O-OG 2.9Å
78C91.1Very high91Very high16 Ų1648.4 Ų48.411%0.10825%0.251CS..Hα-helixtrans-61.1-41.5172.9-72.70000111.4F74 F75 E76 S81 G82 Y83 L87F74-C78 PolarHBondContact O-N 3.04Å; F74-C78 PolarHBondContact O-SG 3.43Å; F75-C78 WeakPolarHBondContact O-CB 3.43Å; F75-C78 PolarHBondContact O-N 2.99Å; F75-C78 VanDerWaalsContact O-N 3.15Å; E76-C78 PolarHBondContact O-N 2.99Å; C78-S81 PolarHBondContact O-N 3.15Å; C78-G82 PolarHBondContact O-N 3.27Å; C78-Y83 VanDerWaalsContact O-CB 3.31Å; C78-Y83 WeakPolarHBondContact O-CB 3.33Å; C78-Y83 PolarHBondContact O-N 3.09Å; C78-L87 HydrophobicContact CB-CD1 3.99Å
79Q90Very high90.8Very high38 Ų3850.7 Ų50.718%0.17827%0.269CS..Iπ-helixtrans-63.7-47.1176-65.3-180-66.100111.7F75 E76 F77 S81 G82 D84 L87F75-Q79 VanDerWaalsContact CE1-CD 3.49Å; F75-Q79 HydrophobicContact CE1-CG 4.12Å; F75-Q79 HydrophobicContact CZ-CG 4.31Å; F75-Q79 PolarHBondContact O-N 2.87Å; F75-Q79 VanDerWaalsContact O-N 3.09Å; E76-Q79 WeakPolarHBondContact O-CB 3.49Å; E76-Q79 PolarHBondContact O-N 3.06Å; F77-Q79 VanDerWaalsContact C-N 3.32Å; F77-Q79 PolarHBondContact O-N 3.37Å; Q79-S81 PolarHBondContact O-N 3.36Å; Q79-G82 PolarHBondContact O-N 2.86Å; Q79-G82 VanDerWaalsContact O-N 3.1Å; Q79-D84 HydrophobicContact CB-CB 4.07Å; Q79-D84 HydrophobicContact CG-CB 4.29Å; Q79-D84 PolarHBondContact NE2-OD1 2.88Å; Q79-L87 HydrophobicContact CG-CD1 4.33Å
80E89.9Confident90.4Very high112 Ų11248.7 Ų48.752%0.52326%0.259SS..Iπ-helixtrans-62.7-31.5176.6-70.2178.4-172.800112.7R15 E76 F77 G82R15-E80 IonicContact CZ-OE1 3.5Å; R15-E80 IonicContact CZ-OE2 3.51Å; R15-E80 IonicContact NH1-OE1 3.11Å; R15-E80 PolarHBondContact NH1-OE1 3.48Å; R15-E80 IonicContact NH1-OE2 2.73Å; R15-E80 IonicContact NH2-OE1 2.92Å; R15-E80 PolarHBondContact NH2-OE1 3.31Å; R15-E80 IonicContact NH2-OE2 3.49Å; R15-E80 PolarHBondContact NH2-OE2 2.74Å; E76-E80 WeakPolarHBondContact O-CG 3.33Å; E76-E80 PolarHBondContact O-N 3.04Å; F77-E80 PolarHBondContact O-N 3.28Å; E80-G82 PolarHBondContact O-N 3.24Å
81S86.2Confident89.8Confident49 Ų4949.1 Ų49.134%0.34327%0.265SS..Iπ-helixtrans-762.5177-60.90000113.6F77 C78 Q79F77-S81 VanDerWaalsContact O-CB 3.24Å; F77-S81 WeakPolarHBondContact O-CB 3.46Å; F77-S81 PolarHBondContact O-N 3.38Å; F77-S81 PolarHBondContact O-OG 2.9Å; C78-S81 PolarHBondContact O-N 3.15Å; Q79-S81 PolarHBondContact O-N 3.36Å
82G86.3Confident89.2Confident60 Ų6053.2 Ų53.262%0.61929%0.294SS*.Iπ-helixtrans95.65.7176.100000115.1C78 Q79 E80 D84C78-G82 PolarHBondContact O-N 3.27Å; Q79-G82 PolarHBondContact O-N 2.86Å; Q79-G82 VanDerWaalsContact O-N 3.1Å; E80-G82 PolarHBondContact O-N 3.24Å; G82-D84 VanDerWaalsContact C-N 3.3Å
83Y88.3Confident88.7Confident47 Ų4751.1 Ų51.118%0.18429%0.288CS..Iπ-helixtrans-86.24.4175.5-61.3-73.1000113.7F4 C78 T85 I86 L87 L108 Y112F4-Y83 HydrophobicContact CZ-CE2 4.45Å; C78-Y83 VanDerWaalsContact O-CB 3.31Å; C78-Y83 WeakPolarHBondContact O-CB 3.33Å; C78-Y83 PolarHBondContact O-N 3.09Å; Y83-T85 VanDerWaalsContact C-N 3.33Å; Y83-T85 PolarHBondContact O-N 2.82Å; Y83-I86 HydrophobicContact CD1-CG2 4.03Å; Y83-I86 WeakPolarHBondContact O-CG2 3.44Å; Y83-I86 PolarHBondContact O-N 2.83Å; Y83-L87 WeakPolarHBondContact O-CB 3.44Å; Y83-L87 VanDerWaalsContact O-CG 3.3Å; Y83-L87 WeakPolarHBondContact O-CG 3.38Å; Y83-L87 PolarHBondContact O-N 3.07Å; Y83-L108 HydrophobicContact CD1-CD2 4.27Å; Y83-L108 HydrophobicContact CE1-CD2 3.61Å; Y83-Y112 WeakPolarHBondContact OH-CE2 3.29Å; Y83-Y112 PolarHBondContact OH-OH 2.99Å
84D89.8Confident88.2Confident42 Ų4250.6 Ų50.623%0.22529%0.285CS..Hα-helixtrans-55.3-46.2-178.3-174.455.3000112.6Q79 G82 I86 L87 R88Q79-D84 HydrophobicContact CB-CB 4.07Å; Q79-D84 HydrophobicContact CG-CB 4.29Å; Q79-D84 PolarHBondContact NE2-OD1 2.88Å; G82-D84 VanDerWaalsContact C-N 3.3Å; D84-I86 PolarHBondContact O-N 3.01Å; D84-L87 PolarHBondContact O-N 3.07Å; D84-R88 VanDerWaalsContact CG-NE 3.29Å; D84-R88 VanDerWaalsContact CG-NH2 3.33Å; D84-R88 WeakPolarHBondContact O-CG 3.2Å; D84-R88 PolarHBondContact O-N 2.97Å; D84-R88 IonicContact OD1-CZ 2.88Å; D84-R88 IonicContact OD1-NE 3.33Å; D84-R88 PolarHBondContact OD1-NE 3.35Å; D84-R88 VanDerWaalsContact OD1-NE 3.12Å; D84-R88 IonicContact OD1-NH2 2.82Å; D84-R88 PolarHBondContact OD1-NH2 3.43Å; D84-R88 IonicContact OD2-CZ 2.97Å; D84-R88 IonicContact OD2-NE 3.35Å; D84-R88 PolarHBondContact OD2-NE 3.41Å; D84-R88 IonicContact OD2-NH2 3.42Å; D84-R88 PolarHBondContact OD2-NH2 3.35Å
85T89.9Confident87.7Confident106 Ų10652.8 Ų52.865%0.6529%0.292SS*.Hα-helixtrans-62.4-45.6-178.9-50.70000112Y83 R88 V89Y83-T85 VanDerWaalsContact C-N 3.33Å; Y83-T85 PolarHBondContact O-N 2.82Å; T85-R88 PolarHBondContact O-N 3.12Å; T85-V89 WeakPolarHBondContact O-CG2 3.33Å; T85-V89 PolarHBondContact O-N 3.5Å
86I87.1Confident87.1Confident54 Ų5455.9 Ų55.928%0.27731%0.307SS..Hα-helixtrans-69.1-37.4-177.8-165.9164.6000111.3Y83 D84 R88 V89 L90 L104Y83-I86 HydrophobicContact CD1-CG2 4.03Å; Y83-I86 WeakPolarHBondContact O-CG2 3.44Å; Y83-I86 PolarHBondContact O-N 2.83Å; D84-I86 PolarHBondContact O-N 3.01Å; I86-R88 PolarHBondContact O-N 3.41Å; I86-V89 WeakPolarHBondContact O-CG2 3.38Å; I86-V89 PolarHBondContact O-N 3.05Å; I86-L90 HydrophobicContact CG1-CD1 4.36Å; I86-L90 WeakPolarHBondContact O-CD1 3.47Å; I86-L90 PolarHBondContact O-N 3.47Å; I86-L104 HydrophobicContact CD1-CD1 3.43Å; I86-L104 VanDerWaalsContact CD1-CD1 3.43Å; I86-L104 HydrophobicContact CG1-CD1 3.79Å; I86-L104 HydrophobicContact CG2-CD1 4.24Å
87L89.9Confident86.8Confident16 Ų1654.1 Ų54.18%0.08430%0.298CS..Hα-helixtrans-66.6-36.5177.8-69.4168.6000112.1F75 C78 Q79 Y83 D84 F97 L104 I157F75-L87 HydrophobicContact CD2-CD1 4.31Å; F75-L87 HydrophobicContact CE2-CB 4.42Å; F75-L87 HydrophobicContact CE2-CD1 3.79Å; F75-L87 HydrophobicContact CE2-CD2 4.36Å; F75-L87 HydrophobicContact CE2-CG 4.42Å; F75-L87 HydrophobicContact CZ-CD1 4.4Å; C78-L87 HydrophobicContact CB-CD1 3.99Å; Q79-L87 HydrophobicContact CG-CD1 4.33Å; Y83-L87 WeakPolarHBondContact O-CB 3.44Å; Y83-L87 VanDerWaalsContact O-CG 3.3Å; Y83-L87 WeakPolarHBondContact O-CG 3.38Å; Y83-L87 PolarHBondContact O-N 3.07Å; D84-L87 PolarHBondContact O-N 3.07Å; L87-F97 HydrophobicContact CD2-CE2 4.48Å; L87-F97 HydrophobicContact CD2-CZ 4.34Å; L87-F97 WeakPolarHBondContact O-CE2 3.37Å; L87-L104 HydrophobicContact CD2-CD2 4Å; L87-I157 HydrophobicContact CB-CD1 4.31Å
88R87.4Confident86.4Confident128 Ų12853.1 Ų53.148%0.48329%0.294SS..Hα-helixtrans-70.4-29177.5-72.7-178.6-159.3-86.3-6.5114.2D84 T85 I86D84-R88 VanDerWaalsContact CG-NE 3.29Å; D84-R88 VanDerWaalsContact CG-NH2 3.33Å; D84-R88 WeakPolarHBondContact O-CG 3.2Å; D84-R88 PolarHBondContact O-N 2.97Å; D84-R88 IonicContact OD1-CZ 2.88Å; D84-R88 IonicContact OD1-NE 3.33Å; D84-R88 PolarHBondContact OD1-NE 3.35Å; D84-R88 VanDerWaalsContact OD1-NE 3.12Å; D84-R88 IonicContact OD1-NH2 2.82Å; D84-R88 PolarHBondContact OD1-NH2 3.43Å; D84-R88 IonicContact OD2-CZ 2.97Å; D84-R88 IonicContact OD2-NE 3.35Å; D84-R88 PolarHBondContact OD2-NE 3.41Å; D84-R88 IonicContact OD2-NH2 3.42Å; D84-R88 PolarHBondContact OD2-NH2 3.35Å; T85-R88 PolarHBondContact O-N 3.12Å; I86-R88 PolarHBondContact O-N 3.41Å
89V89.3Confident85.9Confident110 Ų11057.1 Ų57.167%0.66731%0.311SS*.THydrogen-bonded Turntrans-94.61.1-176-58.90000113.5T85 I86 G91T85-V89 WeakPolarHBondContact O-CG2 3.33Å; T85-V89 PolarHBondContact O-N 3.5Å; I86-V89 WeakPolarHBondContact O-CG2 3.38Å; I86-V89 PolarHBondContact O-N 3.05Å; V89-G91 VanDerWaalsContact C-N 3.29Å; V89-G91 PolarHBondContact O-N 3.42Å
90L84.8Confident85.5Confident18 Ų1858.9 Ų58.99%0.09432%0.322CS..SBendtrans-68-27.1-173.5-131.199.8000113.9I86 F97 N100 L101 L104I86-L90 HydrophobicContact CG1-CD1 4.36Å; I86-L90 WeakPolarHBondContact O-CD1 3.47Å; I86-L90 PolarHBondContact O-N 3.47Å; L90-F97 HydrophobicContact CB-CD2 3.56Å; L90-F97 HydrophobicContact CB-CE2 3.84Å; L90-F97 HydrophobicContact CB-CG 4.44Å; L90-F97 HydrophobicContact CD2-CD2 4.04Å; L90-F97 HydrophobicContact CD2-CE2 4.06Å; L90-F97 HydrophobicContact CD2-CG 4.37Å; L90-F97 HydrophobicContact CD2-CZ 4.42Å; L90-F97 WeakPolarHBondContact CD2-O 3.1Å; L90-F97 HydrophobicContact CG-CD2 4.42Å; L90-F97 HydrophobicContact CG-CE2 4.46Å; L90-N100 HydrophobicContact CD2-CB 3.88Å; L90-N100 HydrophobicContact CG-CB 4.12Å; L90-N100 WeakPolarHBondContact O-CB 3.41Å; L90-N100 PolarHBondContact O-ND2 3.08Å; L90-L101 HydrophobicContact CD2-CD2 4.12Å; L90-L101 HydrophobicContact CD2-CG 4.4Å; L90-L104 HydrophobicContact CD1-CB 4.05Å; L90-L104 HydrophobicContact CD1-CD1 4.13Å; L90-L104 HydrophobicContact CD1-CD2 3.83Å; L90-L104 HydrophobicContact CD1-CG 4.21Å
91G81.4Confident85.1Confident15 Ų1554.3 Ų54.316%0.15530%0.301CS..  trans-172.8155.7-179.600000111.2V89 H158V89-G91 VanDerWaalsContact C-N 3.29Å; V89-G91 PolarHBondContact O-N 3.42Å; G91-H158 PolarHBondContact O-CE1 3.11Å
92S81.8Confident84.6Confident87 Ų8753 Ų5361%0.60829%0.29SS*.SBendtrans-77.9-30.9176.965.70000112.3E96 H158S92-E96 WeakPolarHBondContact CB-OE2 3.41Å; S92-E96 PolarHBondContact N-OE2 2.75Å; S92-E96 PolarHBondContact OG-OE1 3.44Å; S92-E96 PolarHBondContact OG-OE2 3Å; S92-H158 PolarHBondContact O-ND1 3.48Å
93N83.1Confident84.1Confident52 Ų5252.7 Ų52.728%0.27828%0.282SS..SBendtrans-130.9170.9179.357.158.1000111.1R95 E96 F97N93-R95 VanDerWaalsContact C-N 3.26Å; N93-R95 PolarHBondContact O-N 3.15Å; N93-R95 WeakPolarHBondContact OD1-CB 3.49Å; N93-R95 PolarHBondContact OD1-N 3.34Å; N93-E96 PolarHBondContact ND2-OE1 3.11Å; N93-E96 VanDerWaalsContact ND2-OE1 3.14Å; N93-E96 PolarHBondContact O-N 3.4Å; N93-E96 WeakPolarHBondContact OD1-CG 3.46Å; N93-E96 PolarHBondContact OD1-N 2.93Å; N93-F97 WeakPolarHBondContact O-CB 3.3Å; N93-F97 PolarHBondContact O-N 3.2Å
94V84.8Confident83.8Confident3 Ų351.2 Ų51.22%0.01828%0.277CS..Hα-helixtrans-60.9-35.1-177.9179.80000111.6L98 I150 A154 H158V94-L98 HydrophobicContact CG1-CD1 3.91Å; V94-L98 HydrophobicContact CG1-CG 4.31Å; V94-L98 WeakPolarHBondContact O-CB 3.49Å; V94-L98 WeakPolarHBondContact O-CG 3.33Å; V94-L98 PolarHBondContact O-N 3.21Å; V94-I150 HydrophobicContact CG1-CG2 4.36Å; V94-A154 HydrophobicContact CG2-CB 3.93Å; V94-H158 HydrophobicContact CG2-CB 4.43Å
95R82.9Confident83.4Confident87 Ų8751 Ų5133%0.32827%0.274SS..Hα-helixtrans-61.9-54.4177.8176-164.2-65.5-118.5-1.9111.4N93 F97 L98 Q99 D124 L131N93-R95 VanDerWaalsContact C-N 3.26Å; N93-R95 PolarHBondContact O-N 3.15Å; N93-R95 WeakPolarHBondContact OD1-CB 3.49Å; N93-R95 PolarHBondContact OD1-N 3.34Å; R95-F97 VanDerWaalsContact C-N 3.32Å; R95-F97 PolarHBondContact O-N 3.39Å; R95-L98 PolarHBondContact O-N 3.21Å; R95-Q99 WeakPolarHBondContact O-CG 3.39Å; R95-Q99 PolarHBondContact O-N 3.29Å; R95-D124 IonicContact CZ-OD1 2.8Å; R95-D124 IonicContact NH1-OD1 3.1Å; R95-D124 PolarHBondContact NH1-OD1 3.1Å; R95-D124 IonicContact NH1-OD2 2.66Å; R95-D124 PolarHBondContact NH1-OD2 2.92Å; R95-D124 IonicContact NH2-OD1 2.8Å; R95-D124 PolarHBondContact NH2-OD1 3.01Å; R95-L131 HydrophobicContact CB-CD1 4.08Å; R95-L131 HydrophobicContact CB-CD2 4.5Å; R95-L131 HydrophobicContact CG-CD2 4.46Å
96E80.6Confident82.6Confident71 Ų7149.2 Ų49.233%0.33226%0.261SS..Hα-helixtrans-61.6-42179.4-75.3170.7-159.600111.4S92 N93 L98 Q99 N100S92-E96 WeakPolarHBondContact CB-OE2 3.41Å; S92-E96 PolarHBondContact N-OE2 2.75Å; S92-E96 PolarHBondContact OG-OE1 3.44Å; S92-E96 PolarHBondContact OG-OE2 3Å; N93-E96 PolarHBondContact ND2-OE1 3.11Å; N93-E96 VanDerWaalsContact ND2-OE1 3.14Å; N93-E96 PolarHBondContact O-N 3.4Å; N93-E96 WeakPolarHBondContact OD1-CG 3.46Å; N93-E96 PolarHBondContact OD1-N 2.93Å; E96-L98 VanDerWaalsContact C-N 3.33Å; E96-L98 PolarHBondContact O-N 3.37Å; E96-Q99 PolarHBondContact O-N 3.33Å; E96-N100 WeakPolarHBondContact O-CB 3.4Å; E96-N100 PolarHBondContact O-N 2.84Å; E96-N100 PolarHBondContact O-ND2 3.49Å
97F86.9Confident82.1Confident5 Ų549.9 Ų49.92%0.02226%0.263CS..Hα-helixtrans-55-49.8174.6-179.2-84.9000110.8L87 L90 N93 R95 Q99 N100 L101 V153L87-F97 HydrophobicContact CD2-CE2 4.48Å; L87-F97 HydrophobicContact CD2-CZ 4.34Å; L87-F97 WeakPolarHBondContact O-CE2 3.37Å; L90-F97 HydrophobicContact CB-CD2 3.56Å; L90-F97 HydrophobicContact CB-CE2 3.84Å; L90-F97 HydrophobicContact CB-CG 4.44Å; L90-F97 HydrophobicContact CD2-CD2 4.04Å; L90-F97 HydrophobicContact CD2-CE2 4.06Å; L90-F97 HydrophobicContact CD2-CG 4.37Å; L90-F97 HydrophobicContact CD2-CZ 4.42Å; L90-F97 WeakPolarHBondContact CD2-O 3.1Å; L90-F97 HydrophobicContact CG-CD2 4.42Å; L90-F97 HydrophobicContact CG-CE2 4.46Å; N93-F97 WeakPolarHBondContact O-CB 3.3Å; N93-F97 PolarHBondContact O-N 3.2Å; R95-F97 VanDerWaalsContact C-N 3.32Å; R95-F97 PolarHBondContact O-N 3.39Å; F97-Q99 VanDerWaalsContact C-N 3.35Å; F97-Q99 PolarHBondContact O-N 3.09Å; F97-N100 PolarHBondContact O-N 3.18Å; F97-L101 HydrophobicContact CD1-CD2 4.42Å; F97-L101 HydrophobicContact CD1-CG 4.3Å; F97-L101 HydrophobicContact CE1-CD1 4.21Å; F97-L101 HydrophobicContact CE1-CD2 3.7Å; F97-L101 HydrophobicContact CE1-CG 4.02Å; F97-L101 HydrophobicContact CZ-CD2 4Å; F97-L101 PolarHBondContact O-N 3.21Å; F97-V153 HydrophobicContact CD1-CG1 3.99Å; F97-V153 HydrophobicContact CD2-CG1 4.12Å; F97-V153 HydrophobicContact CE1-CB 4.5Å; F97-V153 HydrophobicContact CE1-CG1 3.87Å; F97-V153 HydrophobicContact CE1-CG2 4.07Å; F97-V153 HydrophobicContact CE2-CG1 4.02Å; F97-V153 HydrophobicContact CG-CG1 4.13Å; F97-V153 HydrophobicContact CZ-CG1 3.89Å; F97-V153 HydrophobicContact CZ-CG2 3.89Å
98L83.9Confident81.6Confident0 Ų050.3 Ų50.30%027%0.265CS..Hα-helixtrans-66.4-33.5180-67172000113.2V94 R95 E96 N100 L101 C122 L133 I150 I181V94-L98 HydrophobicContact CG1-CD1 3.91Å; V94-L98 HydrophobicContact CG1-CG 4.31Å; V94-L98 WeakPolarHBondContact O-CB 3.49Å; V94-L98 WeakPolarHBondContact O-CG 3.33Å; V94-L98 PolarHBondContact O-N 3.21Å; R95-L98 PolarHBondContact O-N 3.21Å; E96-L98 VanDerWaalsContact C-N 3.33Å; E96-L98 PolarHBondContact O-N 3.37Å; L98-N100 VanDerWaalsContact C-N 3.32Å; L98-L101 HydrophobicContact CD2-CD1 3.76Å; L98-C122 HydrophobicContact CB-CB 4.5Å; L98-L133 HydrophobicContact CB-CD1 4.34Å; L98-L133 HydrophobicContact CD1-CD1 4.14Å; L98-L133 HydrophobicContact CD1-CD2 4.38Å; L98-L133 HydrophobicContact CD2-CD1 4.3Å; L98-L133 HydrophobicContact CD2-CD2 4.17Å; L98-L133 HydrophobicContact CG-CD1 4.5Å; L98-I150 HydrophobicContact CD2-CD1 3.57Å; L98-I150 HydrophobicContact CD2-CG1 3.98Å; L98-I150 HydrophobicContact CD2-CG2 4.42Å; L98-I181 HydrophobicContact CD1-CD1 3.64Å
99Q79Confident81Confident100 Ų10045.1 Ų45.147%0.46725%0.252SS..Hα-helixtrans-68.9-31.2176.2-72.8174.5-17.800112.5R95 E96 F97 C122R95-Q99 WeakPolarHBondContact O-CG 3.39Å; R95-Q99 PolarHBondContact O-N 3.29Å; E96-Q99 PolarHBondContact O-N 3.33Å; F97-Q99 VanDerWaalsContact C-N 3.35Å; F97-Q99 PolarHBondContact O-N 3.09Å; Q99-C122 HydrophobicContact CG-CB 4.19Å
100N81.5Confident80Confident75 Ų7540.8 Ų40.840%0.40123%0.226SC..Hα-helixtrans-92-5.8-178.1-69.7-35.3000114.3L90 E96 F97 L98 D102 A103 L104L90-N100 HydrophobicContact CD2-CB 3.88Å; L90-N100 HydrophobicContact CG-CB 4.12Å; L90-N100 WeakPolarHBondContact O-CB 3.41Å; L90-N100 PolarHBondContact O-ND2 3.08Å; E96-N100 WeakPolarHBondContact O-CB 3.4Å; E96-N100 PolarHBondContact O-N 2.84Å; E96-N100 PolarHBondContact O-ND2 3.49Å; F97-N100 PolarHBondContact O-N 3.18Å; L98-N100 VanDerWaalsContact C-N 3.32Å; N100-D102 VanDerWaalsContact C-N 3.29Å; N100-D102 PolarHBondContact O-N 2.73Å; N100-A103 WeakPolarHBondContact O-CB 3.38Å; N100-A103 PolarHBondContact O-N 2.87Å; N100-A103 VanDerWaalsContact O-N 3.1Å; N100-L104 PolarHBondContact O-N 2.65Å
101L82.9Confident79.6Confident16 Ų1641.3 Ų41.38%0.08423%0.228CC..Hα-helixtrans-56.9-39.1179.2-84.5178.5000113.5L90 F97 L98 A103 L104 H105 F120L90-L101 HydrophobicContact CD2-CD2 4.12Å; L90-L101 HydrophobicContact CD2-CG 4.4Å; F97-L101 HydrophobicContact CD1-CD2 4.42Å; F97-L101 HydrophobicContact CD1-CG 4.3Å; F97-L101 HydrophobicContact CE1-CD1 4.21Å; F97-L101 HydrophobicContact CE1-CD2 3.7Å; F97-L101 HydrophobicContact CE1-CG 4.02Å; F97-L101 HydrophobicContact CZ-CD2 4Å; F97-L101 PolarHBondContact O-N 3.21Å; L98-L101 HydrophobicContact CD2-CD1 3.76Å; L101-A103 VanDerWaalsContact C-N 3.28Å; L101-A103 PolarHBondContact O-N 2.67Å; L101-L104 HydrophobicContact CD2-CD2 4.49Å; L101-L104 WeakPolarHBondContact O-CB 3.48Å; L101-L104 PolarHBondContact O-N 2.83Å; L101-H105 PolarHBondContact O-N 2.87Å; L101-F120 HydrophobicContact CB-CD2 3.98Å; L101-F120 HydrophobicContact CB-CG 4.38Å; L101-F120 HydrophobicContact CD1-CB 4.46Å; L101-F120 HydrophobicContact CD1-CD1 4.11Å; L101-F120 HydrophobicContact CD1-CD2 3.93Å; L101-F120 HydrophobicContact CD1-CE1 4.35Å; L101-F120 HydrophobicContact CD1-CE2 4.24Å; L101-F120 HydrophobicContact CD1-CG 3.88Å; L101-F120 HydrophobicContact CD1-CZ 4.42Å
102D75.9Confident79.4Confident20 Ų2041.7 Ų41.711%0.10723%0.225CC..Hα-helixtrans-65.1-34.4179.5-81.920000111.8N100 H105 D106 S119 F120 R258N100-D102 VanDerWaalsContact C-N 3.29Å; N100-D102 PolarHBondContact O-N 2.73Å; D102-H105 PolarHBondContact O-N 3.47Å; D102-D106 PolarHBondContact O-N 3.32Å; D102-S119 VanDerWaalsContact OD1-CA 3.29Å; D102-S119 WeakPolarHBondContact OD1-CA 3.49Å; D102-S119 PolarHBondContact OD2-OG 3.03Å; D102-F120 PolarHBondContact OD1-N 2.95Å; D102-R258 IonicContact OD2-CZ 2.81Å; D102-R258 VanDerWaalsContact OD2-CZ 3.3Å; D102-R258 IonicContact OD2-NH1 2.82Å; D102-R258 PolarHBondContact OD2-NH1 3.3Å; D102-R258 IonicContact OD2-NH2 3.8Å; D102-R258 PolarHBondContact OD2-NH2 3.11Å
103A74.8Confident78.9Confident55 Ų5539.7 Ų39.746%0.45521%0.21SC..Hα-helixtrans-68.9-37.9175.300000111.8N100 L101 D106 H107N100-A103 WeakPolarHBondContact O-CB 3.38Å; N100-A103 PolarHBondContact O-N 2.87Å; N100-A103 VanDerWaalsContact O-N 3.1Å; L101-A103 VanDerWaalsContact C-N 3.28Å; L101-A103 PolarHBondContact O-N 2.67Å; A103-D106 PolarHBondContact O-N 2.77Å; A103-H107 PolarHBondContact O-N 3.31Å; A103-H107 VanDerWaalsContact O-N 3.11Å
104L82.1Confident78.2Confident15 Ų1539 Ų398%0.07922%0.215CC..Hα-helixtrans-62.1-45.2172.3-179.463.9000111.4I86 L87 L90 N100 L101 D106 H107 L108I86-L104 HydrophobicContact CD1-CD1 3.43Å; I86-L104 VanDerWaalsContact CD1-CD1 3.43Å; I86-L104 HydrophobicContact CG1-CD1 3.79Å; I86-L104 HydrophobicContact CG2-CD1 4.24Å; L87-L104 HydrophobicContact CD2-CD2 4Å; L90-L104 HydrophobicContact CD1-CB 4.05Å; L90-L104 HydrophobicContact CD1-CD1 4.13Å; L90-L104 HydrophobicContact CD1-CD2 3.83Å; L90-L104 HydrophobicContact CD1-CG 4.21Å; N100-L104 PolarHBondContact O-N 2.65Å; L101-L104 HydrophobicContact CD2-CD2 4.49Å; L101-L104 WeakPolarHBondContact O-CB 3.48Å; L101-L104 PolarHBondContact O-N 2.83Å; L104-D106 VanDerWaalsContact C-N 3.34Å; L104-D106 PolarHBondContact O-N 3.27Å; L104-H107 WeakPolarHBondContact O-CB 3.37Å; L104-H107 PolarHBondContact O-N 2.86Å; L104-L108 HydrophobicContact CD1-CD1 4.4Å; L104-L108 HydrophobicContact CD1-CG 4.34Å; L104-L108 HydrophobicContact CD2-CD1 4.47Å; L104-L108 HydrophobicContact CG-CD1 4.01Å; L104-L108 HydrophobicContact CG-CG 4.35Å; L104-L108 WeakPolarHBondContact O-CG 3.3Å; L104-L108 PolarHBondContact O-N 2.78Å
105H82.4Confident77.9Confident38 Ų3841.4 Ų41.418%0.17623%0.226CC..Hα-helixtrans-64.1-38.2178.3-73165.9000112.6L101 D102 H107 L108 G109 M115 A117 P118 F120L101-H105 PolarHBondContact O-N 2.87Å; D102-H105 PolarHBondContact O-N 3.47Å; H105-H107 VanDerWaalsContact C-N 3.31Å; H105-H107 PolarHBondContact O-N 3.31Å; H105-L108 PolarHBondContact O-N 2.89Å; H105-G109 PolarHBondContact O-N 2.92Å; H105-M115 WeakPolarHBondContact O-CE 3.31Å; H105-A117 HydrophobicContact CB-CB 3.59Å; H105-P118 PolarHBondContact ND1-O 3.19Å; H105-P118 VanDerWaalsContact ND1-O 3.1Å; H105-F120 AromaticContact CE1-CE2 3.63Å
106D71.8Confident77.6Confident69 Ų6943 Ų4337%0.36923%0.232SC..Hα-helixtrans-58.7-44.4172.1-74.7-19.5000110.7D102 A103 L104 G109 K307D102-D106 PolarHBondContact O-N 3.32Å; A103-D106 PolarHBondContact O-N 2.77Å; L104-D106 VanDerWaalsContact C-N 3.34Å; L104-D106 PolarHBondContact O-N 3.27Å; D106-G109 PolarHBondContact O-N 2.94Å; D106-K307 IonicContact OD2-NZ 2.65Å; D106-K307 PolarHBondContact OD2-NZ 3Å
107H76.8Confident77.5Confident68 Ų6841.7 Ų41.732%0.31523%0.234SC..Hα-helixtrans-65.9-45176.1179.861.2000112.7A103 L104 H105 G109 T110A103-H107 PolarHBondContact O-N 3.31Å; A103-H107 VanDerWaalsContact O-N 3.11Å; L104-H107 WeakPolarHBondContact O-CB 3.37Å; L104-H107 PolarHBondContact O-N 2.86Å; H105-H107 VanDerWaalsContact C-N 3.31Å; H105-H107 PolarHBondContact O-N 3.31Å; H107-G109 PolarHBondContact O-N 3.41Å; H107-T110 PolarHBondContact O-N 2.93Å; H107-T110 VanDerWaalsContact O-N 3.12Å; H107-T110 PolarHBondContact O-OG1 2.91Å
108L80.4Confident77.4Confident24 Ų2443.1 Ų43.113%0.12624%0.244CC..Hα-helixtrans-63.9-26.9176.3-69.8175.8000111.8Y83 L104 H105 T110 I111 Y112 M115Y83-L108 HydrophobicContact CD1-CD2 4.27Å; Y83-L108 HydrophobicContact CE1-CD2 3.61Å; L104-L108 HydrophobicContact CD1-CD1 4.4Å; L104-L108 HydrophobicContact CD1-CG 4.34Å; L104-L108 HydrophobicContact CD2-CD1 4.47Å; L104-L108 HydrophobicContact CG-CD1 4.01Å; L104-L108 HydrophobicContact CG-CG 4.35Å; L104-L108 WeakPolarHBondContact O-CG 3.3Å; L104-L108 PolarHBondContact O-N 2.78Å; H105-L108 PolarHBondContact O-N 2.89Å; L108-T110 PolarHBondContact O-N 3.27Å; L108-I111 HydrophobicContact CD2-CD1 4.36Å; L108-I111 PolarHBondContact O-N 2.87Å; L108-I111 VanDerWaalsContact O-N 3.07Å; L108-Y112 HydrophobicContact CB-CD2 4.46Å; L108-Y112 HydrophobicContact CD2-CE2 4.27Å; L108-Y112 PolarHBondContact O-N 3.29Å; L108-M115 HydrophobicContact CB-CE 3.69Å; L108-M115 HydrophobicContact CB-SD 4.1Å
109G73.7Confident77.2Confident20 Ų2043.8 Ų43.821%0.20625%0.248CC..Hα-helixtrans-63.6-25.8175.200000113.7H105 D106 H107H105-G109 PolarHBondContact O-N 2.92Å; D106-G109 PolarHBondContact O-N 2.94Å; H107-G109 PolarHBondContact O-N 3.41Å
110T68.5Low77.3Confident19 Ų1940 Ų4012%0.11723%0.23CC..Hα-helixtrans-78-29.8172.968.40000112H107 L108 M328H107-T110 PolarHBondContact O-N 2.93Å; H107-T110 VanDerWaalsContact O-N 3.12Å; H107-T110 PolarHBondContact O-OG1 2.91Å; L108-T110 PolarHBondContact O-N 3.27Å; T110-M328 HydrophobicContact CG2-SD 4Å
111I75.5Confident77.1Confident29 Ų2939.9 Ų39.915%0.14922%0.224CC..Hα-helixtrans-82.8-33.6179.6-58.2175.3000111.3L108 P113 Y363L108-I111 HydrophobicContact CD2-CD1 4.36Å; L108-I111 PolarHBondContact O-N 2.87Å; L108-I111 VanDerWaalsContact O-N 3.07Å; I111-P113 WeakPolarHBondContact O-CD 3.17Å; I111-Y363 WeakPolarHBondContact O-CD2 3.38Å
112Y77.8Confident76.9Confident22 Ų2239.9 Ų39.99%0.08623%0.226CC..SBendtrans-118.687.9-178.4-64.4-77.6000110.3Y2 Y83 L108 G114 M115 Y363Y2-Y112 HydrophobicContact CD1-CD1 4.24Å; Y2-Y112 HydrophobicContact CE1-CD1 4.03Å; Y2-Y112 PolarHBondContact OH-O 3.38Å; Y83-Y112 WeakPolarHBondContact OH-CE2 3.29Å; Y83-Y112 PolarHBondContact OH-OH 2.99Å; L108-Y112 HydrophobicContact CB-CD2 4.46Å; L108-Y112 HydrophobicContact CD2-CE2 4.27Å; L108-Y112 PolarHBondContact O-N 3.29Å; Y112-G114 PolarHBondContact O-N 3.39Å; Y112-M115 WeakPolarHBondContact O-CB 3.43Å; Y112-M115 PolarHBondContact O-N 2.87Å; Y112-Y363 HydrophobicContact CD1-CE2 4.25Å
113P70.6Confident77.1Confident46 Ų4640.8 Ų40.830%0.29923%0.232SC..THydrogen-bonded Turntrans-66.4117.4-175-21.133.1000113.3Y2 I111 Y363Y2-P113 PolarHBondContact OH-O 3.24Å; I111-P113 WeakPolarHBondContact O-CD 3.17Å; P113-Y363 HydrophobicContact CG-CD1 4.27Å; P113-Y363 HydrophobicContact CG-CG 4.34Å
114G69.7Low77.1Confident36 Ų3642.9 Ų42.937%0.37124%0.235SC..THydrogen-bonded Turntrans96.36.9-174.800000113.6Y112 R116Y112-G114 PolarHBondContact O-N 3.39Å; G114-R116 PolarHBondContact O-N 2.93Å
115M78.4Confident76.8Confident54 Ų5443 Ų4327%0.26624%0.238SC..  trans-61.3123.7169.4-173.1-175.66900110.7Y2 H105 L108 Y112 A117Y2-M115 HydrophobicContact CE2-CB 3.95Å; H105-M115 WeakPolarHBondContact O-CE 3.31Å; L108-M115 HydrophobicContact CB-CE 3.69Å; L108-M115 HydrophobicContact CB-SD 4.1Å; Y112-M115 WeakPolarHBondContact O-CB 3.43Å; Y112-M115 PolarHBondContact O-N 2.87Å; M115-A117 HydrophobicContact CE-CB 3.89Å
116R76.3Confident76.1Confident120 Ų12050.7 Ų50.745%0.45328%0.275SS..  trans-101.994.5170.7-54.2-167.9-1661780.8108.5G114 E138 R139G114-R116 PolarHBondContact O-N 2.93Å; R116-E138 WeakPolarHBondContact CD-OE2 3.29Å; R116-E138 IonicContact CZ-OE2 3.69Å; R116-E138 IonicContact NE-OE2 2.85Å; R116-E138 IonicContact NH1-OE2 3.49Å; R116-E138 PolarHBondContact NH1-OE2 2.69Å; R116-E138 VanDerWaalsContact NH1-OE2 3.11Å; R116-R139 PolarHBondContact O-NH1 3.38Å
117A79.6Confident75.3Confident45 Ų4555.8 Ų55.837%0.37229%0.293SS..  trans-85.7143.5-17900000111.8H105 M115H105-A117 HydrophobicContact CB-CB 3.59Å; M115-A117 HydrophobicContact CE-CB 3.89Å
118P84.4Confident74.6Confident34 Ų3455.8 Ų55.822%0.22131%0.312CS..  trans-70.2159.9167.627.8-28.8000111.1H105 F120 Y135 Y136H105-P118 PolarHBondContact ND1-O 3.19Å; H105-P118 VanDerWaalsContact ND1-O 3.1Å; P118-F120 HydrophobicContact CB-CE2 4.06Å; P118-F120 HydrophobicContact CB-CZ 4.2Å; P118-F120 HydrophobicContact CG-CE2 3.8Å; P118-F120 HydrophobicContact CG-CZ 3.89Å; P118-Y135 HydrophobicContact CB-CD2 4.08Å; P118-Y135 HydrophobicContact CB-CE2 3.35Å; P118-Y135 HydrophobicContact CG-CE2 3.88Å; P118-Y136 CarbonylContact C-O 3.54Å; P118-Y136 VanDerWaalsContact CA-O 3.23Å; P118-Y136 WeakPolarHBondContact CA-O 3.46Å; P118-Y136 VanDerWaalsContact CB-O 3.29Å; P118-Y136 WeakPolarHBondContact CB-O 3.48Å
119S79Confident74Confident14 Ų1459.6 Ų59.610%0.09833%0.332CS..EExtended strand (participates in β ladder)trans-114.5144.2177.5174.40000111.8D102 Y136 R258D102-S119 VanDerWaalsContact OD1-CA 3.29Å; D102-S119 WeakPolarHBondContact OD1-CA 3.49Å; D102-S119 PolarHBondContact OD2-OG 3.03Å; S119-Y136 PolarHBondContact N-O 3.39Å; S119-Y136 PolarHBondContact O-N 3.4Å; S119-R258 PolarHBondContact OG-NH2 3.4Å
120F81Confident74.4Confident21 Ų2160.6 Ų60.69%0.09233%0.333CS..EExtended strand (participates in β ladder)trans-121.9136.7-175.1-59.6-93.9000110.7L101 D102 H105 P118 L133 H134 Y135 V146L101-F120 HydrophobicContact CB-CD2 3.98Å; L101-F120 HydrophobicContact CB-CG 4.38Å; L101-F120 HydrophobicContact CD1-CB 4.46Å; L101-F120 HydrophobicContact CD1-CD1 4.11Å; L101-F120 HydrophobicContact CD1-CD2 3.93Å; L101-F120 HydrophobicContact CD1-CE1 4.35Å; L101-F120 HydrophobicContact CD1-CE2 4.24Å; L101-F120 HydrophobicContact CD1-CG 3.88Å; L101-F120 HydrophobicContact CD1-CZ 4.42Å; D102-F120 PolarHBondContact OD1-N 2.95Å; H105-F120 AromaticContact CE1-CE2 3.63Å; P118-F120 HydrophobicContact CB-CE2 4.06Å; P118-F120 HydrophobicContact CB-CZ 4.2Å; P118-F120 HydrophobicContact CG-CE2 3.8Å; P118-F120 HydrophobicContact CG-CZ 3.89Å; F120-L133 HydrophobicContact CB-CD1 4.16Å; F120-L133 HydrophobicContact CD1-CD1 4.07Å; F120-L133 HydrophobicContact CD1-CD2 4.17Å; F120-L133 HydrophobicContact CD1-CG 4.39Å; F120-H134 WeakPolarHBondContact CA-O 3.45Å; F120-Y135 HydrophobicContact CD1-CD2 4.28Å; F120-Y135 AromaticContact CE1-CD2 3.61Å; F120-Y135 HydrophobicContact CE1-CD2 3.61Å; F120-Y135 HydrophobicContact CE1-CE2 4.17Å; F120-Y135 AromaticContact CZ-CD2 3.84Å; F120-Y135 HydrophobicContact CZ-CD2 3.84Å; F120-Y135 AromaticContact CZ-CE2 3.98Å; F120-Y135 HydrophobicContact CZ-CE2 3.98Å; F120-V146 HydrophobicContact CE1-CG1 3.99Å; F120-V146 HydrophobicContact CE1-CG2 4.37Å
121R77.9Confident75.1Confident73 Ų7359.9 Ų59.928%0.27533%0.328SS..EExtended strand (participates in β ladder)trans-133.9131.3167.9175.9-174.8-178.9-178.42.7109.1T123 H134 Y136 H271R121-T123 HydrophobicContact CG-CG2 4.44Å; R121-H134 HydrophobicContact CB-CB 4.09Å; R121-H134 PolarHBondContact N-O 2.89Å; R121-H134 WeakPolarHBondContact O-CB 3.47Å; R121-H134 PolarHBondContact O-CD2 3.1Å; R121-H134 PolarHBondContact O-N 3.28Å; R121-Y136 HydrophobicContact CB-CE2 4.46Å; R121-H271 PolarHBondContact NH2-NE2 3.28Å
122C77.8Confident75.5Confident16 Ų1660.2 Ų60.211%0.10833%0.33CS..EExtended strand (participates in β ladder)trans-106133.2177.2-166.40000109.9L98 Q99L98-C122 HydrophobicContact CB-CB 4.5Å; Q99-C122 HydrophobicContact CG-CB 4.19Å
123T80.6Confident75.8Confident39 Ų3959.2 Ų59.224%0.23933%0.326CS..EExtended strand (participates in β ladder)trans-133.3160173.2600000110.5R121 I132 H134R121-T123 HydrophobicContact CG-CG2 4.44Å; T123-I132 PolarHBondContact N-O 2.77Å; T123-I132 PolarHBondContact O-N 2.68Å; T123-H134 PolarHBondContact OG1-NE2 3.13Å
124D75.4Confident76.4Confident98 Ų9858 Ų5852%0.52432%0.316SS..EExtended strand (participates in β ladder)trans-77.5140.6177-64.7-46.7000111.2R95R95-D124 IonicContact CZ-OD1 2.8Å; R95-D124 IonicContact NH1-OD1 3.1Å; R95-D124 PolarHBondContact NH1-OD1 3.1Å; R95-D124 IonicContact NH1-OD2 2.66Å; R95-D124 PolarHBondContact NH1-OD2 2.92Å; R95-D124 IonicContact NH2-OD1 2.8Å; R95-D124 PolarHBondContact NH2-OD1 3.01Å
125A75.6Confident77.1Confident17 Ų1756.9 Ų56.914%0.1430%0.301CS..  trans-75.1152.6170.800000111.2K127 N130 I132 L180A125-K127 PolarHBondContact O-N 3.11Å; A125-N130 HydrophobicContact CB-CB 3.76Å; A125-N130 VanDerWaalsContact CB-O 3.26Å; A125-N130 WeakPolarHBondContact CB-O 3.32Å; A125-N130 PolarHBondContact N-O 3.48Å; A125-I132 HydrophobicContact CB-CD1 4.13Å; A125-I132 HydrophobicContact CB-CG1 3.98Å; A125-L180 HydrophobicContact CB-CD1 4.43Å
126E66.9Low77.2Confident201 Ų20156.3 Ų56.394%0.93930%0.296SS*.SBendtrans-63-10.7179.1-64.5-178.2171.700114.2
127K56Low77.5Confident176 Ų17652.2 Ų52.277%0.76529%0.286SS*.SBendtrans-139.4119.8-180-69.1-175.6179.7177.70111.8A125A125-K127 PolarHBondContact O-N 3.11Å
128G62.1Low77.4Confident68 Ų6856.3 Ų56.370%0.70130%0.298SS*.SBendtrans78.9-168.5170.800000114.6N130G128-N130 PolarHBondContact O-N 3.3Å; G128-N130 VanDerWaalsContact O-N 3.14Å
129N66.9Low77.4Confident104 Ų10457.4 Ų57.456%0.55630%0.297SS*.SBendtrans-76.920.4174.4-93.38.5000113.5
130N81.6Confident77.6Confident41 Ų4162.8 Ų62.822%0.21932%0.321CS..  trans-79.3143.6-177.3-68.5-14.6000110.8A125 G128 L180A125-N130 HydrophobicContact CB-CB 3.76Å; A125-N130 VanDerWaalsContact CB-O 3.26Å; A125-N130 WeakPolarHBondContact CB-O 3.32Å; A125-N130 PolarHBondContact N-O 3.48Å; G128-N130 PolarHBondContact O-N 3.3Å; G128-N130 VanDerWaalsContact O-N 3.14Å; N130-L180 HydrophobicContact CB-CD1 4.07Å
131L83.4Confident77.8Confident4 Ų464 Ų642%0.02134%0.339CS..EExtended strand (participates in β ladder)trans-106.9142.5179.4-56.9169.1000110.6R95 I181R95-L131 HydrophobicContact CB-CD1 4.08Å; R95-L131 HydrophobicContact CB-CD2 4.5Å; R95-L131 HydrophobicContact CG-CD2 4.46Å; L131-I181 HydrophobicContact CB-CB 4.19Å; L131-I181 PolarHBondContact N-O 3.18Å; L131-I181 VanDerWaalsContact N-O 3.11Å; L131-I181 PolarHBondContact O-N 2.75Å
132I84.3Confident78.2Confident36 Ų3661.2 Ų61.219%0.18533%0.33CS..EExtended strand (participates in β ladder)trans-106.1114.5169.2-58.5176.7000108.1T123 A125 K178 F179T123-I132 PolarHBondContact N-O 2.77Å; T123-I132 PolarHBondContact O-N 2.68Å; A125-I132 HydrophobicContact CB-CD1 4.13Å; A125-I132 HydrophobicContact CB-CG1 3.98Å; I132-K178 HydrophobicContact CG2-CB 4.31Å; I132-F179 WeakPolarHBondContact CA-O 3.12Å
133L85.3Confident78.7Confident0 Ų063.2 Ų63.20%034%0.337CS..EExtended strand (participates in β ladder)trans-95.8120.7174.3-178.265.3000110.1L98 F120 V146 I150 M164 K178 F179 I181L98-L133 HydrophobicContact CB-CD1 4.34Å; L98-L133 HydrophobicContact CD1-CD1 4.14Å; L98-L133 HydrophobicContact CD1-CD2 4.38Å; L98-L133 HydrophobicContact CD2-CD1 4.3Å; L98-L133 HydrophobicContact CD2-CD2 4.17Å; L98-L133 HydrophobicContact CG-CD1 4.5Å; F120-L133 HydrophobicContact CB-CD1 4.16Å; F120-L133 HydrophobicContact CD1-CD1 4.07Å; F120-L133 HydrophobicContact CD1-CD2 4.17Å; F120-L133 HydrophobicContact CD1-CG 4.39Å; L133-V146 HydrophobicContact CD2-CG1 4.26Å; L133-I150 HydrophobicContact CD2-CD1 3.32Å; L133-M164 HydrophobicContact CD2-CE 4.35Å; L133-K178 CarbonylContact O-C 3.44Å; L133-K178 WeakPolarHBondContact O-CA 3.48Å; L133-F179 HydrophobicContact CB-CB 4.27Å; L133-F179 HydrophobicContact CD2-CD2 4.41Å; L133-F179 PolarHBondContact N-O 3.21Å; L133-F179 PolarHBondContact O-N 3.31Å; L133-I181 HydrophobicContact CB-CD1 4.13Å; L133-I181 HydrophobicContact CD2-CD1 4.47Å
134H83.1Confident79.2Confident20 Ų2062.8 Ų62.89%0.09333%0.334CS..EExtended strand (participates in β ladder)trans-93.1120.3171.5-56.5-75.3000109.4F120 R121 T123 Y136 H176 I177F120-H134 WeakPolarHBondContact CA-O 3.45Å; R121-H134 HydrophobicContact CB-CB 4.09Å; R121-H134 PolarHBondContact N-O 2.89Å; R121-H134 WeakPolarHBondContact O-CB 3.47Å; R121-H134 PolarHBondContact O-CD2 3.1Å; R121-H134 PolarHBondContact O-N 3.28Å; T123-H134 PolarHBondContact OG1-NE2 3.13Å; H134-Y136 HydrophobicContact CB-CE2 3.69Å; H134-H176 AromaticContact CE1-NE2 3.95Å; H134-H176 AromaticContact CG-CD2 3.91Å; H134-H176 AromaticContact CG-NE2 3.62Å; H134-H176 AromaticContact ND1-CD2 3.54Å; H134-H176 AromaticContact ND1-NE2 2.98Å; H134-H176 PolarHBondContact ND1-NE2 2.98Å; H134-I177 WeakPolarHBondContact CA-O 3.29Å
135Y84.3Confident80.1Confident13 Ų1359.2 Ų59.25%0.05131%0.314CS..EExtended strand (participates in β ladder)trans-114.7117.2-178.3169.2-103.9000110.9P118 F120 S137 V146 H176 I177 F179P118-Y135 HydrophobicContact CB-CD2 4.08Å; P118-Y135 HydrophobicContact CB-CE2 3.35Å; P118-Y135 HydrophobicContact CG-CE2 3.88Å; F120-Y135 HydrophobicContact CD1-CD2 4.28Å; F120-Y135 AromaticContact CE1-CD2 3.61Å; F120-Y135 HydrophobicContact CE1-CD2 3.61Å; F120-Y135 HydrophobicContact CE1-CE2 4.17Å; F120-Y135 AromaticContact CZ-CD2 3.84Å; F120-Y135 HydrophobicContact CZ-CD2 3.84Å; F120-Y135 AromaticContact CZ-CE2 3.98Å; F120-Y135 HydrophobicContact CZ-CE2 3.98Å; Y135-S137 VanDerWaalsContact CZ-CB 3.47Å; Y135-S137 WeakPolarHBondContact OH-CB 3.39Å; Y135-S137 PolarHBondContact OH-OG 2.95Å; Y135-V146 HydrophobicContact CD2-CG2 3.82Å; Y135-V146 HydrophobicContact CE2-CG2 3.51Å; Y135-V146 HydrophobicContact CG-CG2 4.44Å; Y135-H176 WeakPolarHBondContact O-CB 3.09Å; Y135-I177 HydrophobicContact CD1-CB 4.19Å; Y135-I177 HydrophobicContact CD1-CD1 4.06Å; Y135-I177 HydrophobicContact CD1-CG1 4.39Å; Y135-I177 HydrophobicContact CE1-CD1 4.35Å; Y135-I177 PolarHBondContact N-O 3.1Å; Y135-I177 PolarHBondContact O-N 2.96Å; Y135-F179 HydrophobicContact CD1-CE2 4.31Å; Y135-F179 HydrophobicContact CG-CE2 4.08Å
136Y79.9Confident80.9Confident42 Ų4258.9 Ų58.917%0.16531%0.311CS..EExtended strand (participates in β ladder)trans-108.8125.2179.3-58.4-96.1000109.3P118 S119 R121 H134 H176 H260P118-Y136 CarbonylContact C-O 3.54Å; P118-Y136 VanDerWaalsContact CA-O 3.23Å; P118-Y136 WeakPolarHBondContact CA-O 3.46Å; P118-Y136 VanDerWaalsContact CB-O 3.29Å; P118-Y136 WeakPolarHBondContact CB-O 3.48Å; S119-Y136 PolarHBondContact N-O 3.39Å; S119-Y136 PolarHBondContact O-N 3.4Å; R121-Y136 HydrophobicContact CB-CE2 4.46Å; H134-Y136 HydrophobicContact CB-CE2 3.69Å; Y136-H176 HydrophobicContact CD1-CB 3.4Å; Y136-H176 AromaticContact CD1-CG 3.94Å; Y136-H176 HydrophobicContact CD2-CB 4.4Å; Y136-H176 HydrophobicContact CE1-CB 3.38Å; Y136-H176 AromaticContact CE1-CD2 4Å; Y136-H176 AromaticContact CE1-CG 3.35Å; Y136-H176 AromaticContact CE1-ND1 3.38Å; Y136-H176 WeakPolarHBondContact CE1-ND1 3.48Å; Y136-H176 HydrophobicContact CE2-CB 4.4Å; Y136-H176 HydrophobicContact CG-CB 3.92Å; Y136-H176 AromaticContact CZ-CD2 3.66Å; Y136-H176 AromaticContact CZ-CE1 3.86Å; Y136-H176 AromaticContact CZ-CG 3.51Å; Y136-H176 AromaticContact CZ-ND1 3.66Å; Y136-H176 AromaticContact CZ-NE2 3.84Å; Y136-H176 PolarHBondContact OH-CE1 3.45Å; Y136-H176 VanDerWaalsContact OH-CE1 3.24Å; Y136-H176 PolarHBondContact OH-ND1 3.36Å; Y136-H176 PolarHBondContact OH-NE2 3.43Å; Y136-H260 AromaticContact CE1-CD2 3.92Å; Y136-H260 AromaticContact CZ-CD2 3.99Å
137S82.8Confident82.1Confident34 Ų3449.7 Ų49.724%0.23827%0.268CS..  trans-149144178-177.70000111.1Y135 R139Y135-S137 VanDerWaalsContact CZ-CB 3.47Å; Y135-S137 WeakPolarHBondContact OH-CB 3.39Å; Y135-S137 PolarHBondContact OH-OG 2.95Å; S137-R139 VanDerWaalsContact C-N 3.28Å; S137-R139 PolarHBondContact OG-N 3.28Å; S137-R139 PolarHBondContact OG-O 2.75Å
138E77.7Confident83.8Confident132 Ų13241.5 Ų41.562%0.61723%0.233SC*.SBendtrans-70.6-27.8168.1-66179.1-167.700111.8R116R116-E138 WeakPolarHBondContact CD-OE2 3.29Å; R116-E138 IonicContact CZ-OE2 3.69Å; R116-E138 IonicContact NE-OE2 2.85Å; R116-E138 IonicContact NH1-OE2 3.49Å; R116-E138 PolarHBondContact NH1-OE2 2.69Å; R116-E138 VanDerWaalsContact NH1-OE2 3.11Å
139R82.9Confident85.3Confident56 Ų5640.1 Ų40.121%0.21121%0.21CC..SBendtrans-94.9124.8-175-64.7-177.3-179.81123.6111.2D45 R116 S137 L142D45-R139 IonicContact OD1-CZ 3.77Å; D45-R139 IonicContact OD1-NE 2.72Å; D45-R139 PolarHBondContact OD1-NE 3.44Å; D45-R139 IonicContact OD1-NH2 3.26Å; D45-R139 WeakPolarHBondContact OD2-CD 3.18Å; D45-R139 IonicContact OD2-CZ 3.3Å; D45-R139 IonicContact OD2-NE 2.69Å; D45-R139 PolarHBondContact OD2-NE 2.97Å; D45-R139 IonicContact OD2-NH2 2.77Å; R116-R139 PolarHBondContact O-NH1 3.38Å; S137-R139 VanDerWaalsContact C-N 3.28Å; S137-R139 PolarHBondContact OG-N 3.28Å; S137-R139 PolarHBondContact OG-O 2.75Å; R139-L142 HydrophobicContact CB-CD1 3.77Å; R139-L142 HydrophobicContact CB-CG 4.49Å; R139-L142 HydrophobicContact CG-CD1 4.42Å
140E84.3Confident86.6Confident127 Ų12735.4 Ų35.459%0.59318%0.184SC*.SBendtrans-90.6153.4178.8-57.6-168.216300111.7Y49 L142 K170Y49-E140 WeakPolarHBondContact CE1-O 3.22Å; Y49-E140 PolarHBondContact OH-O 3.34Å; Y49-E140 VanDerWaalsContact OH-O 3.07Å; E140-L142 VanDerWaalsContact C-N 3.33Å; E140-L142 PolarHBondContact O-N 3.1Å; E140-K170 IonicContact OE1-NZ 3.12Å; E140-K170 PolarHBondContact OE1-NZ 3.41Å
141G84.3Confident87.1Confident47 Ų4736.8 Ų36.849%0.48519%0.189SC..SBendtrans79.83.7177.400000116.2L67L67-G141 WeakPolarHBondContact CD1-O 3.14Å
142L87.1Confident87.6Confident15 Ų1537 Ų378%0.07919%0.19CC..  trans-104.311.8179.8-60-178.3000114M1 Y49 R139 E140 D144 I145M1-L142 HydrophobicContact CE-CD1 3.84Å; M1-L142 HydrophobicContact CE-CD2 4.36Å; M1-L142 HydrophobicContact SD-CD1 3.97Å; Y49-L142 HydrophobicContact CD1-CD2 4.36Å; Y49-L142 HydrophobicContact CE1-CD2 3.72Å; Y49-L142 HydrophobicContact CE1-CG 4Å; R139-L142 HydrophobicContact CB-CD1 3.77Å; R139-L142 HydrophobicContact CB-CG 4.49Å; R139-L142 HydrophobicContact CG-CD1 4.42Å; E140-L142 VanDerWaalsContact C-N 3.33Å; E140-L142 PolarHBondContact O-N 3.1Å; L142-D144 VanDerWaalsContact C-N 3.32Å; L142-D144 PolarHBondContact O-N 3.18Å; L142-I145 HydrophobicContact CB-CD1 4.02Å; L142-I145 HydrophobicContact CD2-CD1 3.96Å; L142-I145 HydrophobicContact CG-CD1 4.44Å; L142-I145 WeakPolarHBondContact O-CB 3.2Å; L142-I145 WeakPolarHBondContact O-CG1 3.26Å; L142-I145 PolarHBondContact O-N 3.47Å
143Q87.8Confident87.9Confident57 Ų5735.3 Ų35.327%0.26618%0.181SC..Hα-helixtrans-63.7-33.7-173.267.6-158.124.100113.7I145 V146 I177 F179Q143-I145 PolarHBondContact O-N 3.01Å; Q143-V146 WeakPolarHBondContact O-CB 3.48Å; Q143-V146 PolarHBondContact O-N 3.49Å; Q143-I177 HydrophobicContact CB-CD1 3.67Å; Q143-I177 VanDerWaalsContact OE1-CD1 3.26Å; Q143-F179 HydrophobicContact CB-CZ 4.15Å
144D92.3Very high88.2Confident31 Ų3135.3 Ų35.317%0.16618%0.181CC..Hα-helixtrans-71.2-19.4-177.4-65.6-60.8000113L67 Q68 L142 V146 I147 G148L67-D144 HydrophobicContact CB-CB 3.68Å; L67-D144 HydrophobicContact CD1-CB 4.23Å; Q68-D144 HydrophobicContact CG-CB 4.24Å; Q68-D144 WeakPolarHBondContact CG-O 3.49Å; L142-D144 VanDerWaalsContact C-N 3.32Å; L142-D144 PolarHBondContact O-N 3.18Å; D144-V146 VanDerWaalsContact C-N 3.29Å; D144-V146 PolarHBondContact O-N 3.48Å; D144-I147 WeakPolarHBondContact O-CB 3.3Å; D144-I147 PolarHBondContact O-N 3.09Å; D144-G148 PolarHBondContact O-N 3.19Å; D144-G148 VanDerWaalsContact O-N 3.16Å
145I92.9Very high88.6Confident22 Ų2240.3 Ų40.311%0.11321%0.205CC..Hα-helixtrans-61-42.7172.2-56.6-178.1000110.1L67 F70 L142 Q143 I147 G148 I149L67-I145 HydrophobicContact CB-CG1 4.16Å; L67-I145 HydrophobicContact CD2-CD1 3.98Å; L67-I145 HydrophobicContact CD2-CG1 3.77Å; L67-I145 HydrophobicContact CG-CG1 4.47Å; F70-I145 HydrophobicContact CD1-CD1 3.83Å; F70-I145 HydrophobicContact CD1-CG1 3.92Å; F70-I145 HydrophobicContact CD1-CG2 4Å; F70-I145 HydrophobicContact CE1-CD1 3.8Å; F70-I145 HydrophobicContact CE1-CG1 4.33Å; F70-I145 HydrophobicContact CE1-CG2 4.02Å; L142-I145 HydrophobicContact CB-CD1 4.02Å; L142-I145 HydrophobicContact CD2-CD1 3.96Å; L142-I145 HydrophobicContact CG-CD1 4.44Å; L142-I145 WeakPolarHBondContact O-CB 3.2Å; L142-I145 WeakPolarHBondContact O-CG1 3.26Å; L142-I145 PolarHBondContact O-N 3.47Å; Q143-I145 PolarHBondContact O-N 3.01Å; I145-I147 VanDerWaalsContact C-N 3.27Å; I145-I147 PolarHBondContact O-N 3.34Å; I145-G148 PolarHBondContact O-N 2.87Å; I145-G148 VanDerWaalsContact O-N 3.16Å; I145-I149 HydrophobicContact CG2-CD1 3.7Å; I145-I149 HydrophobicContact CG2-CG1 4.24Å; I145-I149 WeakPolarHBondContact O-CG1 3.45Å; I145-I149 PolarHBondContact O-N 3.09Å
146V92.1Very high88.8Confident10 Ų1043.4 Ų43.46%0.06122%0.219CC..Hα-helixtrans-61.1-40-179.7178.90000110.5F120 L133 Y135 Q143 D144 I149 I150 F179F120-V146 HydrophobicContact CE1-CG1 3.99Å; F120-V146 HydrophobicContact CE1-CG2 4.37Å; L133-V146 HydrophobicContact CD2-CG1 4.26Å; Y135-V146 HydrophobicContact CD2-CG2 3.82Å; Y135-V146 HydrophobicContact CE2-CG2 3.51Å; Y135-V146 HydrophobicContact CG-CG2 4.44Å; Q143-V146 WeakPolarHBondContact O-CB 3.48Å; Q143-V146 PolarHBondContact O-N 3.49Å; D144-V146 VanDerWaalsContact C-N 3.29Å; D144-V146 PolarHBondContact O-N 3.48Å; V146-I149 PolarHBondContact O-N 3.36Å; V146-I150 HydrophobicContact CG1-CD1 3.44Å; V146-I150 VanDerWaalsContact CG1-CD1 3.44Å; V146-I150 HydrophobicContact CG1-CG1 4.23Å; V146-I150 WeakPolarHBondContact O-CB 3.23Å; V146-I150 VanDerWaalsContact O-CG1 3.29Å; V146-I150 WeakPolarHBondContact O-CG1 3.4Å; V146-I150 PolarHBondContact O-N 3.48Å; V146-F179 HydrophobicContact CB-CZ 4.43Å; V146-F179 HydrophobicContact CG1-CE2 4.3Å
147I92.7Very high89.1Confident8 Ų843.2 Ų43.24%0.04122%0.221CC..Hα-helixtrans-61.7-47.6176.1-59.1176.3000110.4Q68 D144 I145 K151 M164 V166 F179Q68-I147 HydrophobicContact CG-CB 4.16Å; Q68-I147 HydrophobicContact CG-CG2 4.12Å; D144-I147 WeakPolarHBondContact O-CB 3.3Å; D144-I147 PolarHBondContact O-N 3.09Å; I145-I147 VanDerWaalsContact C-N 3.27Å; I145-I147 PolarHBondContact O-N 3.34Å; I147-K151 HydrophobicContact CG2-CD 3.95Å; I147-K151 HydrophobicContact CG2-CG 4.48Å; I147-K151 WeakPolarHBondContact O-CB 3.38Å; I147-K151 VanDerWaalsContact O-CG 3.28Å; I147-K151 WeakPolarHBondContact O-CG 3.34Å; I147-K151 PolarHBondContact O-N 2.89Å; I147-K151 VanDerWaalsContact O-N 3.11Å; I147-M164 HydrophobicContact CG2-CB 4.27Å; I147-V166 HydrophobicContact CD1-CG2 4.47Å; I147-F179 HydrophobicContact CD1-CD1 4.48Å; I147-F179 HydrophobicContact CD1-CE1 4.03Å; I147-F179 HydrophobicContact CG1-CD1 4.2Å; I147-F179 HydrophobicContact CG1-CE1 3.8Å
148G92.6Very high89.3Confident4 Ų443.5 Ų43.54%0.04122%0.218CC..Hα-helixtrans-61.8-45.4178.800000113Q68 D144 I145 T152Q68-G148 WeakPolarHBondContact O-CA 3.32Å; D144-G148 PolarHBondContact O-N 3.19Å; D144-G148 VanDerWaalsContact O-N 3.16Å; I145-G148 PolarHBondContact O-N 2.87Å; I145-G148 VanDerWaalsContact O-N 3.16Å; G148-T152 WeakPolarHBondContact O-CB 3.48Å; G148-T152 PolarHBondContact O-N 3.37Å; G148-T152 PolarHBondContact O-OG1 3.23Å
149I93.6Very high89.6Confident40 Ų4040.3 Ų40.321%0.20522%0.221CC..Hα-helixtrans-63.5-53.9179.5-67.3171.2000110.6G71 F74 F75 I145 V146 K151 T152 V153G71-I149 VanDerWaalsContact O-CG1 3.3Å; G71-I149 WeakPolarHBondContact O-CG1 3.47Å; F74-I149 HydrophobicContact CD1-CD1 3.85Å; F74-I149 HydrophobicContact CD1-CG1 4.42Å; F74-I149 HydrophobicContact CE1-CD1 4.38Å; F75-I149 HydrophobicContact CD2-CG2 4.44Å; I145-I149 HydrophobicContact CG2-CD1 3.7Å; I145-I149 HydrophobicContact CG2-CG1 4.24Å; I145-I149 WeakPolarHBondContact O-CG1 3.45Å; I145-I149 PolarHBondContact O-N 3.09Å; V146-I149 PolarHBondContact O-N 3.36Å; I149-K151 PolarHBondContact O-N 2.75Å; I149-T152 WeakPolarHBondContact O-CB 3.45Å; I149-T152 PolarHBondContact O-N 2.83Å; I149-T152 VanDerWaalsContact O-N 3.09Å; I149-V153 HydrophobicContact CG2-CG2 4.18Å; I149-V153 WeakPolarHBondContact O-CG2 3.31Å; I149-V153 PolarHBondContact O-N 3.4Å
150I92.8Very high89.8Confident5 Ų539.2 Ų39.23%0.02622%0.221CC..Hα-helixtrans-68.8-38.1-171.6-62172.8000111.1V94 L98 L133 V146 T152 V153 A154 I162 M164V94-I150 HydrophobicContact CG1-CG2 4.36Å; L98-I150 HydrophobicContact CD2-CD1 3.57Å; L98-I150 HydrophobicContact CD2-CG1 3.98Å; L98-I150 HydrophobicContact CD2-CG2 4.42Å; L133-I150 HydrophobicContact CD2-CD1 3.32Å; V146-I150 HydrophobicContact CG1-CD1 3.44Å; V146-I150 VanDerWaalsContact CG1-CD1 3.44Å; V146-I150 HydrophobicContact CG1-CG1 4.23Å; V146-I150 WeakPolarHBondContact O-CB 3.23Å; V146-I150 VanDerWaalsContact O-CG1 3.29Å; V146-I150 WeakPolarHBondContact O-CG1 3.4Å; V146-I150 PolarHBondContact O-N 3.48Å; I150-T152 VanDerWaalsContact C-N 3.27Å; I150-T152 PolarHBondContact O-N 2.91Å; I150-V153 PolarHBondContact O-N 3.3Å; I150-A154 WeakPolarHBondContact O-CB 3.34Å; I150-A154 PolarHBondContact O-N 3.18Å; I150-I162 HydrophobicContact CG2-CD1 3.66Å; I150-M164 HydrophobicContact CB-CE 4.31Å; I150-M164 HydrophobicContact CB-SD 3.64Å; I150-M164 HydrophobicContact CD1-CE 3.83Å; I150-M164 HydrophobicContact CD1-SD 4.31Å; I150-M164 HydrophobicContact CG2-CE 4.38Å; I150-M164 HydrophobicContact CG2-SD 3.69Å
151K93.1Very high89.9Confident70 Ų7039.4 Ų39.430%0.30422%0.221SC..Hα-helixtrans-57.7-42.3171.3-77.2179.2176.8175.40111.8I147 I149 Q155 I162I147-K151 HydrophobicContact CG2-CD 3.95Å; I147-K151 HydrophobicContact CG2-CG 4.48Å; I147-K151 WeakPolarHBondContact O-CB 3.38Å; I147-K151 VanDerWaalsContact O-CG 3.28Å; I147-K151 WeakPolarHBondContact O-CG 3.34Å; I147-K151 PolarHBondContact O-N 2.89Å; I147-K151 VanDerWaalsContact O-N 3.11Å; I149-K151 PolarHBondContact O-N 2.75Å; K151-Q155 WeakPolarHBondContact O-CB 3.33Å; K151-Q155 PolarHBondContact O-N 3.49Å; K151-I162 HydrophobicContact CG-CG1 4.22Å
152T93.1Very high90.2Very high7 Ų737.7 Ų37.74%0.04320%0.201CC..Hα-helixtrans-68.4-43.4179.7-54.30000111.2K72 F75 G148 I149 I150 Q155 Q156K72-T152 WeakPolarHBondContact CA-OG1 3.45Å; K72-T152 WeakPolarHBondContact CB-OG1 3.21Å; K72-T152 HydrophobicContact CG-CG2 4.05Å; K72-T152 WeakPolarHBondContact CG-OG1 3.47Å; F75-T152 HydrophobicContact CB-CG2 4.29Å; F75-T152 HydrophobicContact CD1-CG2 3.55Å; F75-T152 HydrophobicContact CE1-CG2 4.25Å; F75-T152 HydrophobicContact CG-CG2 4.17Å; G148-T152 WeakPolarHBondContact O-CB 3.48Å; G148-T152 PolarHBondContact O-N 3.37Å; G148-T152 PolarHBondContact O-OG1 3.23Å; I149-T152 WeakPolarHBondContact O-CB 3.45Å; I149-T152 PolarHBondContact O-N 2.83Å; I149-T152 VanDerWaalsContact O-N 3.09Å; I150-T152 VanDerWaalsContact C-N 3.27Å; I150-T152 PolarHBondContact O-N 2.91Å; T152-Q155 PolarHBondContact O-N 3.11Å; T152-Q156 VanDerWaalsContact CG2-CD 3.45Å; T152-Q156 HydrophobicContact CG2-CG 4.02Å; T152-Q156 VanDerWaalsContact O-CB 3.25Å; T152-Q156 WeakPolarHBondContact O-CB 3.22Å; T152-Q156 WeakPolarHBondContact O-CG 3.46Å; T152-Q156 PolarHBondContact O-N 3.43Å
153V92.1Very high90.3Very high1 Ų140 Ų401%0.00621%0.211CC..Hα-helixtrans-58.8-51.1175.1169.50000111F75 F97 I149 I150 Q155 Q156 I157 H158F75-V153 HydrophobicContact CD2-CG2 3.63Å; F75-V153 HydrophobicContact CE2-CG2 3.34Å; F75-V153 HydrophobicContact CG-CG2 4.4Å; F75-V153 HydrophobicContact CZ-CG2 3.88Å; F97-V153 HydrophobicContact CD1-CG1 3.99Å; F97-V153 HydrophobicContact CD2-CG1 4.12Å; F97-V153 HydrophobicContact CE1-CB 4.5Å; F97-V153 HydrophobicContact CE1-CG1 3.87Å; F97-V153 HydrophobicContact CE1-CG2 4.07Å; F97-V153 HydrophobicContact CE2-CG1 4.02Å; F97-V153 HydrophobicContact CG-CG1 4.13Å; F97-V153 HydrophobicContact CZ-CG1 3.89Å; F97-V153 HydrophobicContact CZ-CG2 3.89Å; I149-V153 HydrophobicContact CG2-CG2 4.18Å; I149-V153 WeakPolarHBondContact O-CG2 3.31Å; I149-V153 PolarHBondContact O-N 3.4Å; I150-V153 PolarHBondContact O-N 3.3Å; V153-Q155 VanDerWaalsContact C-N 3.33Å; V153-Q155 PolarHBondContact O-N 2.82Å; V153-Q156 PolarHBondContact O-N 2.76Å; V153-I157 HydrophobicContact CG1-CD1 4.36Å; V153-I157 WeakPolarHBondContact O-CB 3.38Å; V153-I157 PolarHBondContact O-N 3.35Å; V153-H158 PolarHBondContact O-N 3.04Å
154A90.8Very high90.4Very high0 Ų037.8 Ų37.80%020%0.201CC..Iπ-helixtrans-58.5-46.1-18000000111.3V94 I150 H158 G159 T160 I162V94-A154 HydrophobicContact CG2-CB 3.93Å; I150-A154 WeakPolarHBondContact O-CB 3.34Å; I150-A154 PolarHBondContact O-N 3.18Å; A154-H158 CarbonylContact O-C 3.56Å; A154-H158 PolarHBondContact O-N 2.7Å; A154-G159 PolarHBondContact O-N 3.24Å; A154-T160 CarbonylContact C-O 3.14Å; A154-T160 WeakPolarHBondContact CB-O 3.32Å; A154-T160 PolarHBondContact O-N 3.48Å; A154-I162 HydrophobicContact CB-CB 4.42Å; A154-I162 HydrophobicContact CB-CD1 3.63Å; A154-I162 HydrophobicContact CB-CG1 3.72Å; A154-I162 HydrophobicContact CB-CG2 3.88Å
155Q91.1Very high90.2Very high126 Ų12640.6 Ų40.659%0.58921%0.212SC*.Iπ-helixtrans-71.2-44.2-178.8-171.8177.827.600113.3K151 T152 V153 T160K151-Q155 WeakPolarHBondContact O-CB 3.33Å; K151-Q155 PolarHBondContact O-N 3.49Å; T152-Q155 PolarHBondContact O-N 3.11Å; V153-Q155 VanDerWaalsContact C-N 3.33Å; V153-Q155 PolarHBondContact O-N 2.82Å; Q155-T160 PolarHBondContact N-O 3.22Å
156Q89.5Confident90Very high77 Ų7742.4 Ų42.436%0.3622%0.224SC..Iπ-helixtrans-89.1-34.1-171-67-174.1-700114.1E76 T152 V153E76-Q156 PolarHBondContact OE1-NE2 2.88Å; T152-Q156 VanDerWaalsContact CG2-CD 3.45Å; T152-Q156 HydrophobicContact CG2-CG 4.02Å; T152-Q156 VanDerWaalsContact O-CB 3.25Å; T152-Q156 WeakPolarHBondContact O-CB 3.22Å; T152-Q156 WeakPolarHBondContact O-CG 3.46Å; T152-Q156 PolarHBondContact O-N 3.43Å; V153-Q156 PolarHBondContact O-N 2.76Å
157I86.6Confident89.8Confident38 Ų3846.3 Ų46.320%0.19524%0.244CC..Iπ-helixtrans-93.4-52.1-179.8-66.1-177.2000110.7F75 L87 V153F75-I157 HydrophobicContact CE2-CD1 4.26Å; F75-I157 HydrophobicContact CZ-CD1 3.62Å; F75-I157 HydrophobicContact CZ-CG1 4.08Å; L87-I157 HydrophobicContact CB-CD1 4.31Å; V153-I157 HydrophobicContact CG1-CD1 4.36Å; V153-I157 WeakPolarHBondContact O-CB 3.38Å; V153-I157 PolarHBondContact O-N 3.35Å
158H85.8Confident89.2Confident40 Ų4048.6 Ų48.619%0.18525%0.254CS..Iπ-helixtrans-95.5-10.5-171-56.9-74.8000113.6G91 S92 V94 V153 A154 T160G91-H158 PolarHBondContact O-CE1 3.11Å; S92-H158 PolarHBondContact O-ND1 3.48Å; V94-H158 HydrophobicContact CG2-CB 4.43Å; V153-H158 PolarHBondContact O-N 3.04Å; A154-H158 CarbonylContact O-C 3.56Å; A154-H158 PolarHBondContact O-N 2.7Å; H158-T160 PolarHBondContact O-N 3.21Å; H158-T160 PolarHBondContact O-OG1 2.85Å
159G85.2Confident88.7Confident65 Ų6552.1 Ų52.167%0.6728%0.276SS*.  trans6918.6-179.100000114A154A154-G159 PolarHBondContact O-N 3.24Å
160T85.6Confident87.8Confident34 Ų3454.8 Ų54.821%0.20929%0.287CS..  trans-106.3134.7-176.1-42.30000110.5A154 Q155 H158 I162 E183A154-T160 CarbonylContact C-O 3.14Å; A154-T160 WeakPolarHBondContact CB-O 3.32Å; A154-T160 PolarHBondContact O-N 3.48Å; Q155-T160 PolarHBondContact N-O 3.22Å; H158-T160 PolarHBondContact O-N 3.21Å; H158-T160 PolarHBondContact O-OG1 2.85Å; T160-I162 HydrophobicContact CG2-CG2 4.27Å; T160-E183 HydrophobicContact CG2-CB 4.43Å; T160-E183 HydrophobicContact CG2-CG 4.07Å
161E87.3Confident86.9Confident130 Ų13057.1 Ų57.161%0.60730%0.303SS*.  trans-91.5120.4172.6-162.8172.5-171.500110.3K184E161-K184 PolarHBondContact O-N 3.44Å
162I89.6Confident85.5Confident12 Ų1263.6 Ų63.66%0.06233%0.334CS..EExtended strand (participates in β ladder)trans-117.4145.5-178.164.8169.1000111.8I150 K151 A154 T160 M164 I181 E182 E183I150-I162 HydrophobicContact CG2-CD1 3.66Å; K151-I162 HydrophobicContact CG-CG1 4.22Å; A154-I162 HydrophobicContact CB-CB 4.42Å; A154-I162 HydrophobicContact CB-CD1 3.63Å; A154-I162 HydrophobicContact CB-CG1 3.72Å; A154-I162 HydrophobicContact CB-CG2 3.88Å; T160-I162 HydrophobicContact CG2-CG2 4.27Å; I162-M164 HydrophobicContact CD1-CG 4.02Å; I162-M164 HydrophobicContact CD1-SD 4.07Å; I162-I181 HydrophobicContact CB-CG2 4.08Å; I162-I181 HydrophobicContact CD1-CG2 4.03Å; I162-I181 HydrophobicContact CG2-CG2 4.25Å; I162-E182 WeakPolarHBondContact CA-O 3.35Å; I162-E183 HydrophobicContact CG2-CG 3.82Å
163E89.3Confident83.9Confident62 Ų6272.1 Ų72.129%0.2937%0.374SS..EExtended strand (participates in β ladder)trans-107.7126.3167.8-164.7168.6145.700109.5K165 E182 K184E163-K165 WeakPolarHBondContact OE1-CE 3.25Å; E163-K165 IonicContact OE1-NZ 3.17Å; E163-K165 PolarHBondContact OE1-NZ 3.46Å; E163-E182 HydrophobicContact CB-CB 4.49Å; E163-E182 PolarHBondContact N-O 3.42Å; E163-E182 PolarHBondContact O-N 3.41Å; E163-K184 WeakPolarHBondContact OE2-CE 3.48Å; E163-K184 IonicContact OE2-NZ 2.85Å; E163-K184 PolarHBondContact OE2-NZ 3.39Å
164M90.4Very high82.6Confident12 Ų1272.5 Ų72.56%0.05938%0.376CS..EExtended strand (participates in β ladder)trans-114.5128.9179.5-70.7-17373.300110.7L133 I147 I150 I162 F179 L180 I181L133-M164 HydrophobicContact CD2-CE 4.35Å; I147-M164 HydrophobicContact CG2-CB 4.27Å; I150-M164 HydrophobicContact CB-CE 4.31Å; I150-M164 HydrophobicContact CB-SD 3.64Å; I150-M164 HydrophobicContact CD1-CE 3.83Å; I150-M164 HydrophobicContact CD1-SD 4.31Å; I150-M164 HydrophobicContact CG2-CE 4.38Å; I150-M164 HydrophobicContact CG2-SD 3.69Å; I162-M164 HydrophobicContact CD1-CG 4.02Å; I162-M164 HydrophobicContact CD1-SD 4.07Å; M164-F179 HydrophobicContact CE-CB 3.95Å; M164-F179 HydrophobicContact CE-CD1 4.38Å; M164-F179 HydrophobicContact CE-CG 4.16Å; M164-L180 VanDerWaalsContact CA-O 3.26Å; M164-L180 WeakPolarHBondContact CA-O 3.24Å; M164-I181 HydrophobicContact CE-CD1 4.16Å; M164-I181 HydrophobicContact CE-CG1 4.06Å; M164-I181 HydrophobicContact CG-CG1 4.14Å; M164-I181 HydrophobicContact CG-CG2 4.38Å
165K88.7Confident81.8Confident89 Ų8978.6 Ų78.639%0.38741%0.409SS..EExtended strand (participates in β ladder)trans-128.3139.2178.7-68.2170.6-178.5135.70110.7E163 I167 F179 L180 E182E163-K165 WeakPolarHBondContact OE1-CE 3.25Å; E163-K165 IonicContact OE1-NZ 3.17Å; E163-K165 PolarHBondContact OE1-NZ 3.46Å; K165-I167 PolarHBondContact O-N 3.43Å; K165-F179 CarbonylContact O-C 3.56Å; K165-F179 VanDerWaalsContact O-CA 3.32Å; K165-F179 WeakPolarHBondContact O-CA 3.38Å; K165-L180 HydrophobicContact CB-CB 4.46Å; K165-L180 PolarHBondContact N-O 3.2Å; K165-L180 PolarHBondContact O-N 3.42Å; K165-E182 IonicContact NZ-OE2 3.18Å; K165-E182 PolarHBondContact NZ-OE2 2.91Å
166V89Confident81.1Confident60 Ų6073.9 Ų73.936%0.36439%0.387SS..EExtended strand (participates in β ladder)trans-75.5117.6171.4-177.30000108.4I147 I177 F179I147-V166 HydrophobicContact CD1-CG2 4.47Å; V166-I177 HydrophobicContact CG1-CG2 4.05Å; V166-F179 HydrophobicContact CG2-CD1 3.8Å; V166-F179 HydrophobicContact CG2-CE1 3.61Å
167I86.4Confident80.9Confident92 Ų9270.9 Ų70.947%0.47237%0.373SS..EExtended strand (participates in β ladder)trans-89.4-43.4177-54.8159000110.4K165 K178 L180K165-I167 PolarHBondContact O-N 3.43Å; I167-K178 PolarHBondContact N-O 2.91Å; I167-L180 HydrophobicContact CD1-CB 3.52Å; I167-L180 HydrophobicContact CD1-CD1 4.07Å; I167-L180 HydrophobicContact CD1-CG 4.29Å; I167-L180 HydrophobicContact CG1-CB 3.62Å
168Q81.6Confident80.9Confident57 Ų5771.6 Ų71.627%0.26638%0.375SS..EExtended strand (participates in β ladder)trans-138.6116.4-174.5-166.5170.514.100109.6C174 I177 K178Q168-C174 HydrophobicContact CG-CB 4.41Å; Q168-I177 WeakPolarHBondContact O-CA 3.2Å; Q168-K178 HydrophobicContact CB-CB 4.05Å; Q168-K178 HydrophobicContact CB-CD 4.22Å; Q168-K178 HydrophobicContact CB-CG 4.25Å; Q168-K178 PolarHBondContact N-O 2.85Å; Q168-K178 PolarHBondContact O-N 2.89Å; Q168-K178 VanDerWaalsContact OE1-CE 3.28Å
169P81.4Confident81.1Confident78 Ų7869.7 Ų69.751%0.50637%0.366SS..  trans-7616617132.9-34000110.8S171P169-S171 PolarHBondContact O-N 2.91Å
170K75.3Confident81.4Confident96 Ų9668.1 Ų68.142%0.41734%0.342SS..  trans-60.5128.5171.9-167.2-179.9179-167.50109.5E140 I177E140-K170 IonicContact OE1-NZ 3.12Å; E140-K170 PolarHBondContact OE1-NZ 3.41Å; K170-I177 HydrophobicContact CB-CG1 4.28Å
171S73.6Confident81.5Confident54 Ų5466.6 Ų66.638%0.37833%0.333SS..BIsolated β-bridgetrans-148.2170.2-177.457.30000110.2P169 E173 C174P169-S171 PolarHBondContact O-N 2.91Å; S171-E173 PolarHBondContact O-N 2.9Å; S171-E173 VanDerWaalsContact O-N 3.07Å; S171-C174 PolarHBondContact N-O 3.19Å; S171-C174 CarbonylContact O-C 3.56Å; S171-C174 PolarHBondContact O-N 3.45Å
172E62.8Low81.6Confident205 Ų20563 Ų6396%0.95832%0.316SS*.THydrogen-bonded Turntrans-58.5-21.4178.5-68.4-174.5169.200113.7
173E60.4Low81.3Confident187 Ų18765.3 Ų65.387%0.87433%0.326SS*.THydrogen-bonded Turntrans-96.9-10.7177.9-63.5-176.5171.400113.5S171S171-E173 PolarHBondContact O-N 2.9Å; S171-E173 VanDerWaalsContact O-N 3.07Å
174C64.6Low80.5Confident8 Ų867.5 Ų67.55%0.05434%0.335CS..BIsolated β-bridgetrans-145106.1-175-171.90000110.5Q168 S171 H176Q168-C174 HydrophobicContact CG-CB 4.41Å; S171-C174 PolarHBondContact N-O 3.19Å; S171-C174 CarbonylContact O-C 3.56Å; S171-C174 PolarHBondContact O-N 3.45Å; C174-H176 PolarHBondContact O-N 2.93Å; C174-H176 VanDerWaalsContact O-N 3.09Å; C174-H176 PolarHBondContact SG-O 3.21Å
175D74.3Confident79.1Confident129 Ų12974 Ų7469%0.6937%0.37SS*.SBendtrans-67.8-8.6-174.9-70.2-14.8000114.3
176H76.6Confident77.4Confident26 Ų2672.5 Ų72.512%0.1237%0.371CS..SBendtrans-140.9164.4-172.465.2-81.2000113.2H134 Y135 Y136 C174H134-H176 AromaticContact CE1-NE2 3.95Å; H134-H176 AromaticContact CG-CD2 3.91Å; H134-H176 AromaticContact CG-NE2 3.62Å; H134-H176 AromaticContact ND1-CD2 3.54Å; H134-H176 AromaticContact ND1-NE2 2.98Å; H134-H176 PolarHBondContact ND1-NE2 2.98Å; Y135-H176 WeakPolarHBondContact O-CB 3.09Å; Y136-H176 HydrophobicContact CD1-CB 3.4Å; Y136-H176 AromaticContact CD1-CG 3.94Å; Y136-H176 HydrophobicContact CD2-CB 4.4Å; Y136-H176 HydrophobicContact CE1-CB 3.38Å; Y136-H176 AromaticContact CE1-CD2 4Å; Y136-H176 AromaticContact CE1-CG 3.35Å; Y136-H176 AromaticContact CE1-ND1 3.38Å; Y136-H176 WeakPolarHBondContact CE1-ND1 3.48Å; Y136-H176 HydrophobicContact CE2-CB 4.4Å; Y136-H176 HydrophobicContact CG-CB 3.92Å; Y136-H176 AromaticContact CZ-CD2 3.66Å; Y136-H176 AromaticContact CZ-CE1 3.86Å; Y136-H176 AromaticContact CZ-CG 3.51Å; Y136-H176 AromaticContact CZ-ND1 3.66Å; Y136-H176 AromaticContact CZ-NE2 3.84Å; Y136-H176 PolarHBondContact OH-CE1 3.45Å; Y136-H176 VanDerWaalsContact OH-CE1 3.24Å; Y136-H176 PolarHBondContact OH-ND1 3.36Å; Y136-H176 PolarHBondContact OH-NE2 3.43Å; C174-H176 PolarHBondContact O-N 2.93Å; C174-H176 VanDerWaalsContact O-N 3.09Å; C174-H176 PolarHBondContact SG-O 3.21Å
177I84.6Confident75.5Confident14 Ų1478.4 Ų78.47%0.07239%0.394CS..EExtended strand (participates in β ladder)trans-92.2139.5-179.7-57.1175.2000109.2H134 Y135 Q143 V166 Q168 K170 F179H134-I177 WeakPolarHBondContact CA-O 3.29Å; Y135-I177 HydrophobicContact CD1-CB 4.19Å; Y135-I177 HydrophobicContact CD1-CD1 4.06Å; Y135-I177 HydrophobicContact CD1-CG1 4.39Å; Y135-I177 HydrophobicContact CE1-CD1 4.35Å; Y135-I177 PolarHBondContact N-O 3.1Å; Y135-I177 PolarHBondContact O-N 2.96Å; Q143-I177 HydrophobicContact CB-CD1 3.67Å; Q143-I177 VanDerWaalsContact OE1-CD1 3.26Å; V166-I177 HydrophobicContact CG1-CG2 4.05Å; Q168-I177 WeakPolarHBondContact O-CA 3.2Å; K170-I177 HydrophobicContact CB-CG1 4.28Å; I177-F179 HydrophobicContact CB-CE2 4.28Å; I177-F179 HydrophobicContact CG2-CD2 4.25Å; I177-F179 HydrophobicContact CG2-CE1 4.25Å; I177-F179 HydrophobicContact CG2-CE2 3.77Å; I177-F179 HydrophobicContact CG2-CZ 3.77Å
178K86.8Confident73.4Confident54 Ų5483 Ų8324%0.23541%0.414CS..EExtended strand (participates in β ladder)trans-111.7124.4173.9-59.3-177.4-173.5159.40110.7I132 L133 I167 Q168I132-K178 HydrophobicContact CG2-CB 4.31Å; L133-K178 CarbonylContact O-C 3.44Å; L133-K178 WeakPolarHBondContact O-CA 3.48Å; I167-K178 PolarHBondContact N-O 2.91Å; Q168-K178 HydrophobicContact CB-CB 4.05Å; Q168-K178 HydrophobicContact CB-CD 4.22Å; Q168-K178 HydrophobicContact CB-CG 4.25Å; Q168-K178 PolarHBondContact N-O 2.85Å; Q168-K178 PolarHBondContact O-N 2.89Å; Q168-K178 VanDerWaalsContact OE1-CE 3.28Å
179F89.8Confident71.5Confident0 Ų088.7 Ų88.70%044%0.44CS..EExtended strand (participates in β ladder)trans-106.2135.2172.1-56.9-89.4000110.4I132 L133 Y135 Q143 V146 I147 M164 K165 V166 I177I132-F179 WeakPolarHBondContact CA-O 3.12Å; L133-F179 HydrophobicContact CB-CB 4.27Å; L133-F179 HydrophobicContact CD2-CD2 4.41Å; L133-F179 PolarHBondContact N-O 3.21Å; L133-F179 PolarHBondContact O-N 3.31Å; Y135-F179 HydrophobicContact CD1-CE2 4.31Å; Y135-F179 HydrophobicContact CG-CE2 4.08Å; Q143-F179 HydrophobicContact CB-CZ 4.15Å; V146-F179 HydrophobicContact CB-CZ 4.43Å; V146-F179 HydrophobicContact CG1-CE2 4.3Å; I147-F179 HydrophobicContact CD1-CD1 4.48Å; I147-F179 HydrophobicContact CD1-CE1 4.03Å; I147-F179 HydrophobicContact CG1-CD1 4.2Å; I147-F179 HydrophobicContact CG1-CE1 3.8Å; M164-F179 HydrophobicContact CE-CB 3.95Å; M164-F179 HydrophobicContact CE-CD1 4.38Å; M164-F179 HydrophobicContact CE-CG 4.16Å; K165-F179 CarbonylContact O-C 3.56Å; K165-F179 VanDerWaalsContact O-CA 3.32Å; K165-F179 WeakPolarHBondContact O-CA 3.38Å; V166-F179 HydrophobicContact CG2-CD1 3.8Å; V166-F179 HydrophobicContact CG2-CE1 3.61Å; I177-F179 HydrophobicContact CB-CE2 4.28Å; I177-F179 HydrophobicContact CG2-CD2 4.25Å; I177-F179 HydrophobicContact CG2-CE1 4.25Å; I177-F179 HydrophobicContact CG2-CE2 3.77Å; I177-F179 HydrophobicContact CG2-CZ 3.77Å
180L90.4Very high69.4Low31 Ų3189.2 Ų89.216%0.16245%0.452CS..EExtended strand (participates in β ladder)trans-84.2132163.4-167.359.5000108.4A125 N130 M164 K165 I167 E182A125-L180 HydrophobicContact CB-CD1 4.43Å; N130-L180 HydrophobicContact CB-CD1 4.07Å; M164-L180 VanDerWaalsContact CA-O 3.26Å; M164-L180 WeakPolarHBondContact CA-O 3.24Å; K165-L180 HydrophobicContact CB-CB 4.46Å; K165-L180 PolarHBondContact N-O 3.2Å; K165-L180 PolarHBondContact O-N 3.42Å; I167-L180 HydrophobicContact CD1-CB 3.52Å; I167-L180 HydrophobicContact CD1-CD1 4.07Å; I167-L180 HydrophobicContact CD1-CG 4.29Å; I167-L180 HydrophobicContact CG1-CB 3.62Å; L180-E182 HydrophobicContact CD2-CG 3.82Å; L180-E182 WeakPolarHBondContact CD2-OE1 3.44Å; L180-E182 HydrophobicContact CG-CG 3.87Å
181I89.4Confident67.6Low2 Ų294.5 Ų94.51%0.0148%0.475CS..EExtended strand (participates in β ladder)trans-113.9117.5170.2-48.9-177.2000107.5L98 L131 L133 I162 M164L98-I181 HydrophobicContact CD1-CD1 3.64Å; L131-I181 HydrophobicContact CB-CB 4.19Å; L131-I181 PolarHBondContact N-O 3.18Å; L131-I181 VanDerWaalsContact N-O 3.11Å; L131-I181 PolarHBondContact O-N 2.75Å; L133-I181 HydrophobicContact CB-CD1 4.13Å; L133-I181 HydrophobicContact CD2-CD1 4.47Å; I162-I181 HydrophobicContact CB-CG2 4.08Å; I162-I181 HydrophobicContact CD1-CG2 4.03Å; I162-I181 HydrophobicContact CG2-CG2 4.25Å; M164-I181 HydrophobicContact CE-CD1 4.16Å; M164-I181 HydrophobicContact CE-CG1 4.06Å; M164-I181 HydrophobicContact CG-CG1 4.14Å; M164-I181 HydrophobicContact CG-CG2 4.38Å
182E88.1Confident65.9Low56 Ų56102.8 Ų102.826%0.26250%0.5SS..EExtended strand (participates in β ladder)trans-112.1116.2177-56.7-178.5131.400108.5I162 E163 K165 L180I162-E182 WeakPolarHBondContact CA-O 3.35Å; E163-E182 HydrophobicContact CB-CB 4.49Å; E163-E182 PolarHBondContact N-O 3.42Å; E163-E182 PolarHBondContact O-N 3.41Å; K165-E182 IonicContact NZ-OE2 3.18Å; K165-E182 PolarHBondContact NZ-OE2 2.91Å; L180-E182 HydrophobicContact CD2-CG 3.82Å; L180-E182 WeakPolarHBondContact CD2-OE1 3.44Å; L180-E182 HydrophobicContact CG-CG 3.87Å
183E83.4Confident64.6Low59 Ų59101.5 Ų101.528%0.27649%0.493SS..EExtended strand (participates in β ladder)trans-81.3132.5174.6-74.3173.1-172.700110T160 I162T160-E183 HydrophobicContact CG2-CB 4.43Å; T160-E183 HydrophobicContact CG2-CG 4.07Å; I162-E183 HydrophobicContact CG2-CG 3.82Å
184K72.9Confident63.4Low109 Ų109100 Ų10047%0.47449%0.491SS..SBendtrans-81.8-20.5-173.6-78.8-170171.7169.70115.2E161 E163E161-K184 PolarHBondContact O-N 3.44Å; E163-K184 WeakPolarHBondContact OE2-CE 3.48Å; E163-K184 IonicContact OE2-NZ 2.85Å; E163-K184 PolarHBondContact OE2-NZ 3.39Å
185D60.9Low62.2Low148 Ų148107.6 Ų107.679%0.79153%0.53SS*.  trans-151.6100175.3-73.4-52.9000108.3
186S52.8Low60.5Low58 Ų58108 Ų10841%0.40653%0.533SS..  trans-100.3115.3169.452.90000109.3
187E49.9Very low58.6Low183 Ų183110.2 Ų110.286%0.85556%0.563SS**  trans-67.2128.6154.1-69.6-168.9166.600106.3E189E187-E189 VanDerWaalsContact C-N 3.32Å; E187-E189 PolarHBondContact O-N 3.41Å
188E40.9Very low56.5Low188 Ų188118.5 Ų118.588%0.87960%0.599SS**  trans-62.292.2176.7-73.8-179.3160.800109.3A190E188-A190 PolarHBondContact O-N 3.3Å
189E43.2Very low54.5Low177 Ų177124 Ų12483%0.82763%0.625SS**  trans-74120.6166.5-78.8-167.7160.300109.2E187 F191E187-E189 VanDerWaalsContact C-N 3.32Å; E187-E189 PolarHBondContact O-N 3.41Å; E189-F191 PolarHBondContact O-N 2.84Å
190A37.4Very low52.4Low90 Ų90132.3 Ų132.374%0.74466%0.664SS**  trans-56.4132.1-18000000110.9E188 Y192E188-A190 PolarHBondContact O-N 3.3Å; A190-Y192 PolarHBondContact O-N 3.46Å
191F36.3Very low50.2Low207 Ų207137.9 Ų137.991%0.90869%0.694SS**  trans-43.3123.9166-109.9-105.4000110.5E189 E193E189-F191 PolarHBondContact O-N 2.84Å; F191-E193 PolarHBondContact O-N 3.05Å; F191-E193 VanDerWaalsContact O-N 3.13Å
192Y38.7Very low48.1Very low228 Ų228140.2 Ų140.289%0.89472%0.719SS**  trans-61.9111.1161.2-84.5-90000107.7A190 D194A190-Y192 PolarHBondContact O-N 3.46Å; Y192-D194 PolarHBondContact O-N 3.06Å
193E36Very low46.2Very low177 Ų177142.1 Ų142.183%0.82773%0.734SS**  trans-64.3127.3159.8-80.9-177.7154.100107.9F191 L195F191-E193 PolarHBondContact O-N 3.05Å; F191-E193 VanDerWaalsContact O-N 3.13Å; E193-L195 PolarHBondContact O-N 3.22Å
194D35.2Very low45.2Very low156 Ų156148.2 Ų148.283%0.83476%0.763SS**  trans-51.8107.9170.7-86.7-33.1000109.7Y192 D196Y192-D194 PolarHBondContact O-N 3.06Å; D194-D196 PolarHBondContact O-N 2.82Å; D194-D196 VanDerWaalsContact O-N 3.17Å
195L39.3Very low45Very low167 Ų167150.4 Ų150.487%0.87478%0.775SS**  trans-85.353.7171.7-81.1166.3000110.6E193 G197E193-L195 PolarHBondContact O-N 3.22Å; L195-G197 PolarHBondContact O-N 3.4Å
196D38.4Very low45.6Very low137 Ų137150 Ų15073%0.73378%0.778SS**  trans-10161.1168.7-85-14.2000110.4D194D194-D196 PolarHBondContact O-N 2.82Å; D194-D196 VanDerWaalsContact O-N 3.17Å
197G37.2Very low47.1Very low74 Ų74156.5 Ų156.576%0.76379%0.794SS**  trans-98.169165.700000110.6L195 E199L195-G197 PolarHBondContact O-N 3.4Å; G197-E199 PolarHBondContact O-N 2.88Å
198F38.7Very low48.9Very low188 Ų188153 Ų15383%0.82578%0.779SS**  trans-75.5117.5166.6-92.6-87.2000109.2E200F198-E200 PolarHBondContact O-N 2.59Å; F198-E200 VanDerWaalsContact O-N 3.17Å
199E44.8Very low51.2Low168 Ų168146.7 Ų146.779%0.78576%0.756SS**  trans-58.2116.2170.8-73.6-174.3160.600110.2G197 N201G197-E199 PolarHBondContact O-N 2.88Å; E199-N201 PolarHBondContact O-N 2.99Å
200E45.9Very low53.4Low176 Ų176142.5 Ų142.582%0.82274%0.744SS**  trans-68.174.9172.3-70.7-172.5159.400111.2F198F198-E200 PolarHBondContact O-N 2.59Å; F198-E200 VanDerWaalsContact O-N 3.17Å
201N44.1Very low55.8Low147 Ų147146.2 Ų146.279%0.78674%0.74SS**  trans-105.776168.3-83.6-35.3000109.9E199E199-N201 PolarHBondContact O-N 2.99Å
202G46.8Very low58.4Low52 Ų52139.9 Ų139.954%0.53672%0.719SS.*SBendtrans-168.4138.5172.600000112.4Q204G202-Q204 PolarHBondContact O-N 3.01Å
203T48.4Very low60.9Low95 Ų95131.2 Ų131.258%0.58369%0.686SS**  trans-47.4122.2170.651.20000111.3E205 R207T203-E205 PolarHBondContact O-N 2.94Å; T203-R207 PolarHBondContact OG1-NH2 2.93Å
204Q61.4Low63.6Low187 Ų187123.4 Ų123.487%0.87465%0.65SS**  trans-64.127.6178-71.6-179.5-24.700114.9G202G202-Q204 PolarHBondContact O-N 3.01Å
205E68.4Low66.2Low156 Ų156122.6 Ų122.673%0.72964%0.639SS**  trans-91.8133177.3-69.3-17517300110.4T203 R207T203-E205 PolarHBondContact O-N 2.94Å; E205-R207 WeakPolarHBondContact O-CG 3.43Å; E205-R207 PolarHBondContact O-N 3.43Å; E205-R207 VanDerWaalsContact O-N 3.08Å
206T72.9Confident68.6Low138 Ų138116.3 Ų116.385%0.84761%0.612SS**  trans-64.3109.2177.148.30000110.2
207R85.1Confident71.3Confident196 Ų196113.2 Ų113.274%0.7459%0.592SS**  trans-85-10-177.1-60.6-171.8-179.5172.50.1114T203 E205T203-R207 PolarHBondContact OG1-NH2 2.93Å; E205-R207 WeakPolarHBondContact O-CG 3.43Å; E205-R207 PolarHBondContact O-N 3.43Å; E205-R207 VanDerWaalsContact O-N 3.08Å
208I87.3Confident74Confident108 Ų108110.5 Ų110.555%0.55456%0.561SS**SBendtrans-119.7122-178.3-57.6178000108.2T212 F213I208-T212 HydrophobicContact CG2-CG2 4.22Å; I208-F213 HydrophobicContact CG2-CB 4.15Å
209S90.2Very high76.7Confident56 Ų56101.8 Ų101.839%0.39252%0.523SS..  trans-70.2148.1173.379.80000110.7Y211 T212 F213S209-Y211 PolarHBondContact O-N 3.21Å; S209-Y211 VanDerWaalsContact O-N 3.13Å; S209-T212 WeakPolarHBondContact O-CB 3.32Å; S209-T212 PolarHBondContact O-N 3.14Å; S209-T212 PolarHBondContact OG-N 2.89Å; S209-T212 VanDerWaalsContact OG-N 3.1Å; S209-T212 PolarHBondContact OG-OG1 3.43Å; S209-F213 PolarHBondContact O-N 2.81Å
210P87.9Confident79.2Confident90 Ų9093.8 Ų93.858%0.58449%0.485SS*.Hα-helixtrans-54.5-33.3174.8-27.835.3000113.2F213 C214P210-F213 PolarHBondContact O-N 3.11Å; P210-C214 PolarHBondContact O-N 3.07Å; P210-C214 PolarHBondContact O-SG 3Å
211Y88.4Confident81.5Confident167 Ų16785.4 Ų85.466%0.65545%0.446SS*.Hα-helixtrans-64.1-45.8174.7177.8-97.4000112.3S209 F213 C214 K215S209-Y211 PolarHBondContact O-N 3.21Å; S209-Y211 VanDerWaalsContact O-N 3.13Å; Y211-F213 VanDerWaalsContact C-N 3.3Å; Y211-F213 PolarHBondContact O-N 3.49Å; Y211-C214 PolarHBondContact O-N 2.88Å; Y211-K215 PolarHBondContact O-N 2.86Å; Y211-K215 VanDerWaalsContact O-N 3.15Å
212T91.6Very high84Confident74 Ų7479.9 Ų79.945%0.45442%0.416SS..Hα-helixtrans-63.1-39.9175.5-52.80000110.7I208 S209 K215 A216I208-T212 HydrophobicContact CG2-CG2 4.22Å; S209-T212 WeakPolarHBondContact O-CB 3.32Å; S209-T212 PolarHBondContact O-N 3.14Å; S209-T212 PolarHBondContact OG-N 2.89Å; S209-T212 VanDerWaalsContact OG-N 3.1Å; S209-T212 PolarHBondContact OG-OG1 3.43Å; T212-K215 PolarHBondContact O-N 2.75Å; T212-A216 WeakPolarHBondContact O-CB 3.47Å; T212-A216 PolarHBondContact O-N 2.87Å
213F91.9Very high86.3Confident46 Ų4677.4 Ų77.420%0.20239%0.391CS..Hα-helixtrans-61.8-48.5176.1-174.7-93.2000112.1I208 S209 P210 Y211 K215 A216 F217 H220 L320 L322I208-F213 HydrophobicContact CG2-CB 4.15Å; S209-F213 PolarHBondContact O-N 2.81Å; P210-F213 PolarHBondContact O-N 3.11Å; Y211-F213 VanDerWaalsContact C-N 3.3Å; Y211-F213 PolarHBondContact O-N 3.49Å; F213-K215 PolarHBondContact O-N 3.15Å; F213-A216 PolarHBondContact O-N 3.28Å; F213-A216 VanDerWaalsContact O-N 3.09Å; F213-F217 HydrophobicContact CD1-CD2 4.48Å; F213-F217 AromaticContact CD2-CD2 3.69Å; F213-F217 HydrophobicContact CD2-CD2 3.69Å; F213-F217 AromaticContact CD2-CE2 3.88Å; F213-F217 HydrophobicContact CD2-CE2 3.88Å; F213-F217 HydrophobicContact CE1-CD2 4.28Å; F213-F217 AromaticContact CE2-CD2 3.45Å; F213-F217 HydrophobicContact CE2-CD2 3.45Å; F213-F217 VanDerWaalsContact CE2-CD2 3.45Å; F213-F217 AromaticContact CE2-CE2 3.61Å; F213-F217 HydrophobicContact CE2-CE2 3.61Å; F213-F217 HydrophobicContact CG-CD2 4.2Å; F213-F217 AromaticContact CZ-CD2 3.78Å; F213-F217 HydrophobicContact CZ-CD2 3.78Å; F213-F217 HydrophobicContact CZ-CE2 4.31Å; F213-F217 HydrophobicContact CZ-CG 4.46Å; F213-F217 PolarHBondContact O-N 3.27Å; F213-H220 AromaticContact CE1-CD2 3.94Å; F213-L320 HydrophobicContact CE1-CD1 4.23Å; F213-L320 HydrophobicContact CZ-CD1 4.3Å; F213-L320 HydrophobicContact CZ-CD2 3.98Å; F213-L322 HydrophobicContact CZ-CD2 4.04Å
214C91.2Very high88.4Confident13 Ų1374.6 Ų74.69%0.08837%0.372CS..Hα-helixtrans-60.7-28.4176.4-69.70000113.8P210 Y211 Q231P210-C214 PolarHBondContact O-N 3.07Å; P210-C214 PolarHBondContact O-SG 3Å; Y211-C214 PolarHBondContact O-N 2.88Å; C214-Q231 PolarHBondContact SG-NE2 3.12Å
215K89.6Confident89.9Confident139 Ų13971.4 Ų71.460%0.60436%0.355SS*.Hα-helixtrans-80.8-35.5175.7-169176.6-179.6179.10112.2Y211 T212 F213Y211-K215 PolarHBondContact O-N 2.86Å; Y211-K215 VanDerWaalsContact O-N 3.15Å; T212-K215 PolarHBondContact O-N 2.75Å; F213-K215 PolarHBondContact O-N 3.15Å
216A91.4Very high91Very high36 Ų3669.5 Ų69.530%0.29835%0.35SS..Hα-helixtrans-71.4-38.8177.100000111.7T212 F213 P218 P344 H346T212-A216 WeakPolarHBondContact O-CB 3.47Å; T212-A216 PolarHBondContact O-N 2.87Å; F213-A216 PolarHBondContact O-N 3.28Å; F213-A216 VanDerWaalsContact O-N 3.09Å; A216-P218 WeakPolarHBondContact O-CD 3.39Å; A216-P344 WeakPolarHBondContact O-CG 3.47Å; A216-H346 PolarHBondContact O-CE1 2.8Å; A216-H346 PolarHBondContact O-NE2 2.62Å
217F94.3Very high91.9Very high72 Ų7263.6 Ų63.632%0.31631%0.313SS..  trans-118.682.8179.2-57.6-75.4000110.2F213 F219 H220 L322 H346F213-F217 HydrophobicContact CD1-CD2 4.48Å; F213-F217 AromaticContact CD2-CD2 3.69Å; F213-F217 HydrophobicContact CD2-CD2 3.69Å; F213-F217 AromaticContact CD2-CE2 3.88Å; F213-F217 HydrophobicContact CD2-CE2 3.88Å; F213-F217 HydrophobicContact CE1-CD2 4.28Å; F213-F217 AromaticContact CE2-CD2 3.45Å; F213-F217 HydrophobicContact CE2-CD2 3.45Å; F213-F217 VanDerWaalsContact CE2-CD2 3.45Å; F213-F217 AromaticContact CE2-CE2 3.61Å; F213-F217 HydrophobicContact CE2-CE2 3.61Å; F213-F217 HydrophobicContact CG-CD2 4.2Å; F213-F217 AromaticContact CZ-CD2 3.78Å; F213-F217 HydrophobicContact CZ-CD2 3.78Å; F213-F217 HydrophobicContact CZ-CE2 4.31Å; F213-F217 HydrophobicContact CZ-CG 4.46Å; F213-F217 PolarHBondContact O-N 3.27Å; F217-F219 PolarHBondContact O-N 3.03Å; F217-H220 PolarHBondContact O-CE1 3.3Å; F217-H220 PolarHBondContact O-ND1 3.2Å; F217-L322 HydrophobicContact CB-CD2 4.34Å; F217-L322 HydrophobicContact CD1-CD2 4.25Å; F217-L322 HydrophobicContact CG-CD2 4.16Å; F217-H346 AromaticContact CD1-NE2 3.96Å; F217-H346 AromaticContact CE1-NE2 3.68Å
218P94.3Very high92.3Very high16 Ų1657.4 Ų57.410%0.10429%0.293CS..SBendtrans-65.3-18.9-179-23.336.5000113.7A216 G233 N234 A235 I236 D342 P344A216-P218 WeakPolarHBondContact O-CD 3.39Å; P218-G233 CarbonylContact O-C 3.54Å; P218-G233 VanDerWaalsContact O-C 3.23Å; P218-G233 VanDerWaalsContact O-CA 3.23Å; P218-G233 WeakPolarHBondContact O-CA 3.45Å; P218-N234 PolarHBondContact O-N 3.25Å; P218-A235 HydrophobicContact CB-CB 3.56Å; P218-A235 PolarHBondContact O-N 2.89Å; P218-I236 PolarHBondContact O-N 3.15Å; P218-D342 WeakPolarHBondContact CB-O 3.18Å; P218-D342 WeakPolarHBondContact CG-O 3.45Å; P218-P344 HydrophobicContact CG-CG 3.94Å
219F95.6Very high92.7Very high6 Ų652.2 Ų52.23%0.02627%0.267CS..SBendtrans-112.987.6175.6-61.5-87.2000110.3F217 A235 I236 L306 C323 P325 L338 D342 I343F217-F219 PolarHBondContact O-N 3.03Å; F219-A235 HydrophobicContact CD2-CB 4.45Å; F219-A235 HydrophobicContact CE1-CB 4.06Å; F219-A235 HydrophobicContact CE2-CB 4Å; F219-A235 HydrophobicContact CZ-CB 3.77Å; F219-I236 VanDerWaalsContact CA-CD1 3.48Å; F219-I236 HydrophobicContact CB-CD1 3.96Å; F219-I236 HydrophobicContact CB-CG1 4.22Å; F219-I236 HydrophobicContact CD1-CD1 4Å; F219-I236 HydrophobicContact CD1-CG1 3.42Å; F219-I236 VanDerWaalsContact CD1-CG1 3.42Å; F219-I236 HydrophobicContact CE1-CG1 4.17Å; F219-I236 HydrophobicContact CG-CD1 4.43Å; F219-I236 HydrophobicContact CG-CG1 4.16Å; F219-L306 HydrophobicContact CD1-CD2 4.01Å; F219-C323 WeakPolarHBondContact CB-O 3.35Å; F219-C323 PolarHBondContact O-N 2.85Å; F219-P325 HydrophobicContact CD1-CG 4.3Å; F219-P325 HydrophobicContact CD2-CG 4.39Å; F219-P325 HydrophobicContact CE1-CB 4.15Å; F219-P325 HydrophobicContact CE1-CG 3.89Å; F219-P325 HydrophobicContact CE2-CG 3.97Å; F219-P325 HydrophobicContact CZ-CB 4.41Å; F219-P325 HydrophobicContact CZ-CG 3.71Å; F219-L338 HydrophobicContact CE1-CD2 3.94Å; F219-L338 HydrophobicContact CZ-CD1 4.48Å; F219-L338 HydrophobicContact CZ-CD2 3.84Å; F219-D342 HydrophobicContact CE2-CB 4.14Å; F219-D342 WeakPolarHBondContact CE2-O 3.38Å; F219-D342 HydrophobicContact CZ-CB 4.17Å; F219-I343 HydrophobicContact CE2-CG1 4.24Å
220H96.1Very high92.8Very high0 Ų052 Ų520%026%0.263CS..EExtended strand (participates in β ladder)trans-148.6156.1168.671.9-78.8000110.3F213 F217 C232 G233 L320 F321 L322F213-H220 AromaticContact CE1-CD2 3.94Å; F217-H220 PolarHBondContact O-CE1 3.3Å; F217-H220 PolarHBondContact O-ND1 3.2Å; H220-C232 WeakPolarHBondContact O-CA 3.48Å; H220-G233 WeakPolarHBondContact CE1-CA 3.46Å; H220-G233 PolarHBondContact CE1-N 2.64Å; H220-G233 WeakPolarHBondContact ND1-CA 3.41Å; H220-G233 PolarHBondContact ND1-N 3.19Å; H220-G233 PolarHBondContact O-N 3.46Å; H220-L320 HydrophobicContact CB-CD1 4.22Å; H220-F321 WeakPolarHBondContact CA-O 3.46Å; H220-F321 WeakPolarHBondContact CB-O 3.08Å; H220-L322 HydrophobicContact CB-CD2 4.09Å
221L95.8Very high93Very high0 Ų049.6 Ų49.60%024%0.244CC..EExtended strand (participates in β ladder)trans-129.7139.5170.5-58172.8000108.4F223 L229 C232 I236 L243 L250 F254 L278 L320 F321L221-F223 HydrophobicContact CB-CD1 4.44Å; L221-L229 HydrophobicContact CB-CD1 4.08Å; L221-L229 HydrophobicContact CD2-CD1 3.83Å; L221-C232 HydrophobicContact CD2-CB 4.01Å; L221-I236 HydrophobicContact CD2-CD1 4.31Å; L221-I236 HydrophobicContact CD2-CG2 4.09Å; L221-I236 HydrophobicContact CG-CD1 4.4Å; L221-L243 HydrophobicContact CD2-CD1 4.21Å; L221-L250 HydrophobicContact CD1-CD2 4.24Å; L221-F254 HydrophobicContact CD1-CD2 4.17Å; L221-F254 HydrophobicContact CD1-CE2 3.67Å; L221-F254 HydrophobicContact CD1-CZ 4.27Å; L221-L278 HydrophobicContact CD1-CD1 4.19Å; L221-L320 CarbonylContact O-C 3.56Å; L221-F321 HydrophobicContact CB-CB 4.22Å; L221-F321 HydrophobicContact CD1-CD1 4.17Å; L221-F321 PolarHBondContact N-O 2.74Å; L221-F321 PolarHBondContact O-N 2.85Å
222M95Very high93.3Very high31 Ų3142.2 Ų42.215%0.15322%0.217CC..EExtended strand (participates in β ladder)trans-124.2133.8169.4-163.7170.862.700108.4L229 T230 Q231 L313 N318 I319M222-L229 CarbonylContact O-C 3.51Å; M222-L229 WeakPolarHBondContact O-CD1 3.23Å; M222-T230 WeakPolarHBondContact CE-OG1 3.44Å; M222-T230 PolarHBondContact O-N 2.82Å; M222-T230 PolarHBondContact O-OG1 2.8Å; M222-T230 VanDerWaalsContact O-OG1 3.11Å; M222-Q231 HydrophobicContact CB-CB 3.9Å; M222-Q231 HydrophobicContact CE-CB 3.78Å; M222-Q231 PolarHBondContact N-O 2.65Å; M222-Q231 PolarHBondContact O-N 3.34Å; M222-L313 HydrophobicContact SD-CD1 3.9Å; M222-N318 HydrophobicContact CG-CB 3.85Å; M222-N318 HydrophobicContact SD-CB 4.26Å; M222-I319 WeakPolarHBondContact CA-O 3.46Å
223F95.1Very high93.4Very high0 Ų038.7 Ų38.70%020%0.195CC..EExtended strand (participates in β ladder)trans-147.9154.8-17752-90.5000112L221 L227 M228 L250 I268 M310 N318 I319 F321L221-F223 HydrophobicContact CB-CD1 4.44Å; F223-L227 HydrophobicContact CD2-CD2 3.78Å; F223-L227 HydrophobicContact CE2-CD2 3.72Å; F223-M228 CarbonylContact C-O 3.59Å; F223-M228 WeakPolarHBondContact CA-O 3.45Å; F223-M228 VanDerWaalsContact CB-O 3.22Å; F223-M228 WeakPolarHBondContact CB-O 3.39Å; F223-L250 HydrophobicContact CB-CD1 3.78Å; F223-L250 HydrophobicContact CD1-CD1 3.67Å; F223-L250 HydrophobicContact CD1-CD2 3.62Å; F223-L250 HydrophobicContact CD1-CG 4.3Å; F223-L250 HydrophobicContact CE1-CD1 4.49Å; F223-L250 HydrophobicContact CE1-CD2 3.59Å; F223-L250 HydrophobicContact CG-CD1 3.85Å; F223-L250 HydrophobicContact CG-CD2 4.23Å; F223-L250 HydrophobicContact CZ-CD2 4.15Å; F223-I268 HydrophobicContact CE2-CD1 3.95Å; F223-I268 HydrophobicContact CZ-CD1 4.1Å; F223-M310 HydrophobicContact CE1-CE 4.37Å; F223-M310 HydrophobicContact CE1-SD 4.09Å; F223-M310 HydrophobicContact CZ-CE 4.13Å; F223-M310 HydrophobicContact CZ-SD 3.76Å; F223-N318 CarbonylContact O-C 3.41Å; F223-N318 VanDerWaalsContact O-CA 3.29Å; F223-N318 WeakPolarHBondContact O-CA 3.47Å; F223-N318 WeakPolarHBondContact O-CB 3.18Å; F223-I319 HydrophobicContact CD2-CB 4.27Å; F223-I319 HydrophobicContact CE1-CG2 4.29Å; F223-I319 HydrophobicContact CE2-CB 3.73Å; F223-I319 HydrophobicContact CE2-CD1 4.12Å; F223-I319 HydrophobicContact CE2-CG1 4.46Å; F223-I319 HydrophobicContact CE2-CG2 4.03Å; F223-I319 HydrophobicContact CZ-CB 3.87Å; F223-I319 HydrophobicContact CZ-CG2 3.67Å; F223-I319 PolarHBondContact N-O 3.03Å; F223-I319 PolarHBondContact O-N 2.83Å; F223-F321 HydrophobicContact CE1-CB 4.33Å
224D93.8Very high93.3Very high36 Ų3640.5 Ų40.519%0.19321%0.207CC..  trans-88-173.5-177.167.716.2000113D226 L227 M228 T230 N318D224-D226 PolarHBondContact O-N 3.42Å; D224-D226 WeakPolarHBondContact OD1-CA 3.37Å; D224-D226 PolarHBondContact OD1-N 3.04Å; D224-L227 WeakPolarHBondContact O-CA 3.31Å; D224-L227 PolarHBondContact O-N 3.26Å; D224-L227 PolarHBondContact OD1-N 2.88Å; D224-M228 PolarHBondContact N-O 3.11Å; D224-M228 WeakPolarHBondContact OD1-CB 3.05Å; D224-M228 PolarHBondContact OD1-N 3.15Å; D224-T230 HydrophobicContact CB-CG2 4.3Å; D224-N318 VanDerWaalsContact CA-OD1 3.29Å; D224-N318 WeakPolarHBondContact CA-OD1 3.42Å; D224-N318 WeakPolarHBondContact CB-OD1 3.18Å
225K92Very high93.3Very high120 Ų12040 Ų4052%0.52220%0.203SC..THydrogen-bonded Turntrans-58.9-25.9177.768.8-173178.1-167.60115F265K225-F265 HydrophobicContact CB-CD1 4.48Å; K225-F265 HydrophobicContact CB-CD2 4.36Å; K225-F265 HydrophobicContact CB-CE2 4.4Å; K225-F265 HydrophobicContact CB-CG 4.37Å; K225-F265 WeakPolarHBondContact O-CB 3.4Å
226D91.6Very high93.4Very high116 Ų11633.3 Ų33.362%0.6218%0.175SC*.THydrogen-bonded Turntrans-91.89.6178.7-61.9-47.2000111.2D224 M228D224-D226 PolarHBondContact O-N 3.42Å; D224-D226 WeakPolarHBondContact OD1-CA 3.37Å; D224-D226 PolarHBondContact OD1-N 3.04Å; D226-M228 PolarHBondContact O-N 3.07Å
227L92.3Very high93.4Very high14 Ų1436.3 Ų36.37%0.07318%0.179CC..  trans5925.6-174.1-53.1176.9000112.7F223 D224 L250 P251 F263 F265 I268F223-L227 HydrophobicContact CD2-CD2 3.78Å; F223-L227 HydrophobicContact CE2-CD2 3.72Å; D224-L227 WeakPolarHBondContact O-CA 3.31Å; D224-L227 PolarHBondContact O-N 3.26Å; D224-L227 PolarHBondContact OD1-N 2.88Å; L227-L250 HydrophobicContact CB-CB 4.49Å; L227-L250 PolarHBondContact O-N 3.3Å; L227-P251 HydrophobicContact CD1-CG 3.69Å; L227-F263 HydrophobicContact CD1-CD2 4.45Å; L227-F263 WeakPolarHBondContact CD1-O 3.39Å; L227-F265 HydrophobicContact CD2-CB 4.4Å; L227-I268 HydrophobicContact CD2-CD1 4.14Å
228M93.7Very high93.2Very high65 Ų6538 Ų3832%0.3218%0.183SC..BIsolated β-bridgetrans-82.5127.8175.9-157.4179.3-155.300109.3F223 D224 D226 T230 G246 C248F223-M228 CarbonylContact C-O 3.59Å; F223-M228 WeakPolarHBondContact CA-O 3.45Å; F223-M228 VanDerWaalsContact CB-O 3.22Å; F223-M228 WeakPolarHBondContact CB-O 3.39Å; D224-M228 PolarHBondContact N-O 3.11Å; D224-M228 WeakPolarHBondContact OD1-CB 3.05Å; D224-M228 PolarHBondContact OD1-N 3.15Å; D226-M228 PolarHBondContact O-N 3.07Å; M228-T230 PolarHBondContact O-N 3.36Å; M228-G246 WeakPolarHBondContact CE-O 3.26Å; M228-C248 WeakPolarHBondContact CA-O 3.42Å
229L94.3Very high93Very high0 Ų037.7 Ų37.70%018%0.181CC..EExtended strand (participates in β ladder)trans-67.5122.3-178.5-172.376.9000110.3L221 M222 Q231 C232 L243 P245 G246 C248 L250L221-L229 HydrophobicContact CB-CD1 4.08Å; L221-L229 HydrophobicContact CD2-CD1 3.83Å; M222-L229 CarbonylContact O-C 3.51Å; M222-L229 WeakPolarHBondContact O-CD1 3.23Å; L229-Q231 WeakPolarHBondContact CD1-O 3.35Å; L229-C232 HydrophobicContact CD1-CB 4.48Å; L229-C232 HydrophobicContact CD2-CB 4.13Å; L229-L243 HydrophobicContact CD2-CB 3.77Å; L229-L243 HydrophobicContact CD2-CD2 4.02Å; L229-L243 WeakPolarHBondContact CD2-O 3.22Å; L229-P245 CarbonylContact O-C 3.56Å; L229-P245 WeakPolarHBondContact O-CA 3.24Å; L229-G246 PolarHBondContact O-N 2.74Å; L229-C248 HydrophobicContact CB-CB 4.25Å; L229-C248 HydrophobicContact CD2-CB 4.45Å; L229-C248 PolarHBondContact N-O 3.32Å; L229-L250 HydrophobicContact CB-CD1 4.18Å; L229-L250 HydrophobicContact CD1-CD1 3.73Å
230T92.9Very high92.7Very high52 Ų5237.4 Ų37.432%0.31918%0.18SC..EExtended strand (participates in β ladder)trans-102.4-29.7178.158.10000112.6M222 D224 M228 P245 N318M222-T230 WeakPolarHBondContact CE-OG1 3.44Å; M222-T230 PolarHBondContact O-N 2.82Å; M222-T230 PolarHBondContact O-OG1 2.8Å; M222-T230 VanDerWaalsContact O-OG1 3.11Å; D224-T230 HydrophobicContact CB-CG2 4.3Å; M228-T230 PolarHBondContact O-N 3.36Å; T230-P245 WeakPolarHBondContact O-CB 3.35Å; T230-N318 PolarHBondContact OG1-ND2 3.32Å
231Q93Very high92.3Very high38 Ų3839.7 Ų39.718%0.17819%0.194CC..EExtended strand (participates in β ladder)trans-151.5150.3177.1-169.8-179.222.100110.4C214 M222 L229C214-Q231 PolarHBondContact SG-NE2 3.12Å; M222-Q231 HydrophobicContact CB-CB 3.9Å; M222-Q231 HydrophobicContact CE-CB 3.78Å; M222-Q231 PolarHBondContact N-O 2.65Å; M222-Q231 PolarHBondContact O-N 3.34Å; L229-Q231 WeakPolarHBondContact CD1-O 3.35Å
232C93.9Very high92Very high12 Ų1243 Ų438%0.08121%0.21CC..EExtended strand (participates in β ladder)trans-142.2158.2171.1590000112.1H220 L221 L229H220-C232 WeakPolarHBondContact O-CA 3.48Å; L221-C232 HydrophobicContact CD2-CB 4.01Å; L229-C232 HydrophobicContact CD1-CB 4.48Å; L229-C232 HydrophobicContact CD2-CB 4.13Å
233G93.1Very high91.7Very high0 Ų041.5 Ų41.50%020%0.202CC..  trans-73.7152.117500000113.6P218 H220 A235 I236 Y237P218-G233 CarbonylContact O-C 3.54Å; P218-G233 VanDerWaalsContact O-C 3.23Å; P218-G233 VanDerWaalsContact O-CA 3.23Å; P218-G233 WeakPolarHBondContact O-CA 3.45Å; H220-G233 WeakPolarHBondContact CE1-CA 3.46Å; H220-G233 PolarHBondContact CE1-N 2.64Å; H220-G233 WeakPolarHBondContact ND1-CA 3.41Å; H220-G233 PolarHBondContact ND1-N 3.19Å; H220-G233 PolarHBondContact O-N 3.46Å; G233-A235 VanDerWaalsContact C-N 3.33Å; G233-A235 PolarHBondContact O-N 3.23Å; G233-I236 PolarHBondContact O-N 3.05Å; G233-Y237 WeakPolarHBondContact O-CB 3.28Å; G233-Y237 PolarHBondContact O-N 2.98Å
234N90.3Very high91.3Very high84 Ų8446.5 Ų46.545%0.44923%0.226SC..Hα-helixtrans-62.1-38-173.5-65.2-23.8000113P218 R238P218-N234 PolarHBondContact O-N 3.25Å; N234-R238 WeakPolarHBondContact O-CB 3.26Å; N234-R238 PolarHBondContact O-N 3.18Å; N234-R238 VanDerWaalsContact O-N 3.15Å
235A91.8Very high91Very high2 Ų248 Ų482%0.01724%0.237CC..Hα-helixtrans-72.4-45.5-178.600000111.1P218 F219 G233 Y237 R238 V239 D342P218-A235 HydrophobicContact CB-CB 3.56Å; P218-A235 PolarHBondContact O-N 2.89Å; F219-A235 HydrophobicContact CD2-CB 4.45Å; F219-A235 HydrophobicContact CE1-CB 4.06Å; F219-A235 HydrophobicContact CE2-CB 4Å; F219-A235 HydrophobicContact CZ-CB 3.77Å; G233-A235 VanDerWaalsContact C-N 3.33Å; G233-A235 PolarHBondContact O-N 3.23Å; A235-Y237 PolarHBondContact O-N 3.49Å; A235-R238 PolarHBondContact O-N 2.94Å; A235-V239 WeakPolarHBondContact O-CG2 3.35Å; A235-V239 PolarHBondContact O-N 2.85Å; A235-D342 HydrophobicContact CB-CB 3.81Å
236I91.9Very high90.6Very high0 Ų044.8 Ų44.80%024%0.238CC..Hα-helixtrans-59.3-47.5175.7-68.4176.9000110.5P218 F219 L221 G233 R238 V239 L240 L243 L306P218-I236 PolarHBondContact O-N 3.15Å; F219-I236 VanDerWaalsContact CA-CD1 3.48Å; F219-I236 HydrophobicContact CB-CD1 3.96Å; F219-I236 HydrophobicContact CB-CG1 4.22Å; F219-I236 HydrophobicContact CD1-CD1 4Å; F219-I236 HydrophobicContact CD1-CG1 3.42Å; F219-I236 VanDerWaalsContact CD1-CG1 3.42Å; F219-I236 HydrophobicContact CE1-CG1 4.17Å; F219-I236 HydrophobicContact CG-CD1 4.43Å; F219-I236 HydrophobicContact CG-CG1 4.16Å; L221-I236 HydrophobicContact CD2-CD1 4.31Å; L221-I236 HydrophobicContact CD2-CG2 4.09Å; L221-I236 HydrophobicContact CG-CD1 4.4Å; G233-I236 PolarHBondContact O-N 3.05Å; I236-R238 VanDerWaalsContact C-N 3.31Å; I236-R238 PolarHBondContact O-N 3.46Å; I236-V239 PolarHBondContact O-N 3.5Å; I236-L240 PolarHBondContact O-N 3.41Å; I236-L243 HydrophobicContact CG2-CD1 3.26Å; I236-L306 HydrophobicContact CD1-CD1 3.77Å; I236-L306 HydrophobicContact CD1-CD2 4.43Å; I236-L306 HydrophobicContact CG1-CD1 4.41Å
237Y91.4Very high90.3Very high99 Ų9942.5 Ų42.539%0.38824%0.236SC..Hα-helixtrans-61.3-38.5-179.7-176.6-105.5000113G233 A235 V239 L240 P241 L243 Q244G233-Y237 WeakPolarHBondContact O-CB 3.28Å; G233-Y237 PolarHBondContact O-N 2.98Å; A235-Y237 PolarHBondContact O-N 3.49Å; Y237-V239 VanDerWaalsContact C-N 3.33Å; Y237-V239 PolarHBondContact O-N 3.38Å; Y237-L240 CarbonylContact O-C 3.48Å; Y237-L240 VanDerWaalsContact O-C 3.3Å; Y237-P241 WeakPolarHBondContact O-CA 3.33Å; Y237-L243 WeakPolarHBondContact CD2-O 3.43Å; Y237-Q244 HydrophobicContact CE2-CG 4.37Å
238R90.1Very high90.2Very high107 Ų10742.2 Ų42.240%0.40424%0.235SC..Hα-helixtrans-65.3-39.2177.9-171.1-172.766.9-132.4-13.1112N234 A235 I236 D342N234-R238 WeakPolarHBondContact O-CB 3.26Å; N234-R238 PolarHBondContact O-N 3.18Å; N234-R238 VanDerWaalsContact O-N 3.15Å; A235-R238 PolarHBondContact O-N 2.94Å; I236-R238 VanDerWaalsContact C-N 3.31Å; I236-R238 PolarHBondContact O-N 3.46Å; R238-D342 IonicContact CZ-OD1 3.72Å; R238-D342 IonicContact CZ-OD2 2.91Å; R238-D342 IonicContact NH1-OD1 3.17Å; R238-D342 PolarHBondContact NH1-OD1 2.86Å; R238-D342 IonicContact NH1-OD2 3.55Å; R238-D342 IonicContact NH2-OD1 3.78Å; R238-D342 PolarHBondContact NH2-OD1 3.44Å; R238-D342 IonicContact NH2-OD2 2.69Å; R238-D342 PolarHBondContact NH2-OD2 2.8Å
239V89.1Confident90.1Very high10 Ų1043.6 Ų43.66%0.06124%0.243CC..Hα-helixtrans-82-34.2-175.11760000111.4A235 I236 Y237 L285 L304 L338A235-V239 WeakPolarHBondContact O-CG2 3.35Å; A235-V239 PolarHBondContact O-N 2.85Å; I236-V239 PolarHBondContact O-N 3.5Å; Y237-V239 VanDerWaalsContact C-N 3.33Å; Y237-V239 PolarHBondContact O-N 3.38Å; V239-L285 HydrophobicContact CG1-CD2 3.33Å; V239-L304 HydrophobicContact CG1-CD2 4.37Å; V239-L338 HydrophobicContact CB-CD2 4.5Å; V239-L338 HydrophobicContact CG2-CD2 3.45Å; V239-L338 VanDerWaalsContact CG2-CD2 3.45Å; V239-L338 HydrophobicContact CG2-CG 4.46Å
240L89.9Confident90Very high0 Ų043.6 Ų43.60%024%0.243CC..  trans-124.180.2177.4-68.2171.3000109.9I236 Y237 Q242 L243 V253 F254 L284 L285 L304I236-L240 PolarHBondContact O-N 3.41Å; Y237-L240 CarbonylContact O-C 3.48Å; Y237-L240 VanDerWaalsContact O-C 3.3Å; L240-Q242 PolarHBondContact O-N 3.25Å; L240-L243 HydrophobicContact CB-CD1 3.74Å; L240-L243 HydrophobicContact CB-CG 4.21Å; L240-L243 HydrophobicContact CD1-CD1 3.97Å; L240-L243 WeakPolarHBondContact O-CB 3.39Å; L240-L243 PolarHBondContact O-N 3.14Å; L240-L243 VanDerWaalsContact O-N 3.11Å; L240-V253 HydrophobicContact CD1-CG1 4.3Å; L240-F254 HydrophobicContact CD1-CE1 3.99Å; L240-F254 HydrophobicContact CD1-CZ 3.6Å; L240-L284 HydrophobicContact CD2-CB 3.72Å; L240-L285 HydrophobicContact CD2-CD2 3.76Å; L240-L285 HydrophobicContact CD2-CG 4.45Å; L240-L285 HydrophobicContact CG-CD2 4.18Å; L240-L304 HydrophobicContact CD1-CD2 4.1Å
241P87.9Confident89.9Confident47 Ų4743.1 Ų43.131%0.30524%0.241SC..THydrogen-bonded Turntrans-63.3-13-178.5-22.233.9000114.2Y237 L243Y237-P241 WeakPolarHBondContact O-CA 3.33Å; P241-L243 PolarHBondContact O-N 3.32Å
242Q88.1Confident89.8Confident69 Ų6944.4 Ų44.432%0.32225%0.254SS..THydrogen-bonded Turntrans-70.1-16176.6-49.285.4-1.900112.4L240 Q244 C248 V253 L284L240-Q242 PolarHBondContact O-N 3.25Å; Q242-Q244 PolarHBondContact O-N 3.15Å; Q242-C248 PolarHBondContact O-SG 2.96Å; Q242-V253 HydrophobicContact CB-CG2 4.24Å; Q242-L284 HydrophobicContact CG-CD2 4.22Å; Q242-L284 PolarHBondContact NE2-O 2.84Å
243L88.6Confident89.6Confident0 Ų044 Ų440%025%0.251CS..  trans-79.358.2177.3-69.5169.1000111.8L221 L229 I236 Y237 L240 P241 P245 V253 F254L221-L243 HydrophobicContact CD2-CD1 4.21Å; L229-L243 HydrophobicContact CD2-CB 3.77Å; L229-L243 HydrophobicContact CD2-CD2 4.02Å; L229-L243 WeakPolarHBondContact CD2-O 3.22Å; I236-L243 HydrophobicContact CG2-CD1 3.26Å; Y237-L243 WeakPolarHBondContact CD2-O 3.43Å; L240-L243 HydrophobicContact CB-CD1 3.74Å; L240-L243 HydrophobicContact CB-CG 4.21Å; L240-L243 HydrophobicContact CD1-CD1 3.97Å; L240-L243 WeakPolarHBondContact O-CB 3.39Å; L240-L243 PolarHBondContact O-N 3.14Å; L240-L243 VanDerWaalsContact O-N 3.11Å; P241-L243 PolarHBondContact O-N 3.32Å; L243-P245 VanDerWaalsContact O-CD 3.3Å; L243-P245 WeakPolarHBondContact O-CD 3.26Å; L243-V253 HydrophobicContact CD2-CB 4.09Å; L243-V253 HydrophobicContact CD2-CG1 3.95Å; L243-V253 HydrophobicContact CD2-CG2 4.07Å; L243-V253 HydrophobicContact CG-CG1 4.16Å; L243-F254 HydrophobicContact CD1-CE2 3.74Å; L243-F254 HydrophobicContact CD1-CZ 3.98Å; L243-F254 HydrophobicContact CD2-CD2 4.38Å; L243-F254 HydrophobicContact CD2-CE2 3.79Å; L243-F254 HydrophobicContact CG-CE2 4.35Å
244Q87.3Confident89.6Confident106 Ų10644.1 Ų44.150%0.49525%0.251SS..  trans-75.7118.5175-69.1-171.4-15.600110.7Y237 Q242 G246 A247 C248Y237-Q244 HydrophobicContact CE2-CG 4.37Å; Q242-Q244 PolarHBondContact O-N 3.15Å; Q244-G246 PolarHBondContact O-N 3.45Å; Q244-A247 HydrophobicContact CB-CB 4.33Å; Q244-A247 PolarHBondContact O-N 3.26Å; Q244-C248 WeakPolarHBondContact O-CB 3.38Å; Q244-C248 PolarHBondContact O-N 3.29Å
245P87.1Confident89.6Confident66 Ų6642.5 Ų42.543%0.42925%0.247SC..THydrogen-bonded Turntrans-59.1133.7175.5-23.435000111.6L229 T230 L243 A247L229-P245 CarbonylContact O-C 3.56Å; L229-P245 WeakPolarHBondContact O-CA 3.24Å; T230-P245 WeakPolarHBondContact O-CB 3.35Å; L243-P245 VanDerWaalsContact O-CD 3.3Å; L243-P245 WeakPolarHBondContact O-CD 3.26Å; P245-A247 VanDerWaalsContact C-N 3.32Å
246G84Confident89.4Confident53 Ų5343.6 Ų43.655%0.54625%0.252SS..THydrogen-bonded Turntrans82.1-0.8-178.900000115.3M228 L229 Q244M228-G246 WeakPolarHBondContact CE-O 3.26Å; L229-G246 PolarHBondContact O-N 2.74Å; Q244-G246 PolarHBondContact O-N 3.45Å
247A85.1Confident89Confident69 Ų6945 Ų4557%0.5726%0.261SS*.THydrogen-bonded Turntrans-133-12.1179.600000114.4Q244 P245Q244-A247 HydrophobicContact CB-CB 4.33Å; Q244-A247 PolarHBondContact O-N 3.26Å; P245-A247 VanDerWaalsContact C-N 3.32Å
248C90.3Very high88.3Confident8 Ų843.9 Ų43.95%0.05426%0.256CS..  trans-105.9135-174.7-170.90000112.2M228 L229 Q242 Q244M228-C248 WeakPolarHBondContact CA-O 3.42Å; L229-C248 HydrophobicContact CB-CB 4.25Å; L229-C248 HydrophobicContact CD2-CB 4.45Å; L229-C248 PolarHBondContact N-O 3.32Å; Q242-C248 PolarHBondContact O-SG 2.96Å; Q244-C248 WeakPolarHBondContact O-CB 3.38Å; Q244-C248 PolarHBondContact O-N 3.29Å
249I92.3Very high87.6Confident93 Ų9339.3 Ų39.348%0.47724%0.24SC..BIsolated β-bridgetrans-98.9124.8171.4-64.1169.2000108P251 S252I249-P251 HydrophobicContact CG2-CG 4.29Å; I249-S252 VanDerWaalsContact O-CB 3.26Å; I249-S252 WeakPolarHBondContact O-CB 3.4Å; I249-S252 PolarHBondContact O-N 2.89Å; I249-S252 PolarHBondContact O-OG 2.97Å
250L91.5Very high86.8Confident0 Ų044.1 Ų44.10%026%0.262CS..Hα-helixtrans-52.4-49.2-172.9-112.283.2000113.9L221 F223 L227 L229 S252 V253 F254 F263 L278L221-L250 HydrophobicContact CD1-CD2 4.24Å; F223-L250 HydrophobicContact CB-CD1 3.78Å; F223-L250 HydrophobicContact CD1-CD1 3.67Å; F223-L250 HydrophobicContact CD1-CD2 3.62Å; F223-L250 HydrophobicContact CD1-CG 4.3Å; F223-L250 HydrophobicContact CE1-CD1 4.49Å; F223-L250 HydrophobicContact CE1-CD2 3.59Å; F223-L250 HydrophobicContact CG-CD1 3.85Å; F223-L250 HydrophobicContact CG-CD2 4.23Å; F223-L250 HydrophobicContact CZ-CD2 4.15Å; L227-L250 HydrophobicContact CB-CB 4.49Å; L227-L250 PolarHBondContact O-N 3.3Å; L229-L250 HydrophobicContact CB-CD1 4.18Å; L229-L250 HydrophobicContact CD1-CD1 3.73Å; L250-S252 PolarHBondContact O-N 2.85Å; L250-V253 PolarHBondContact O-N 3.4Å; L250-F254 HydrophobicContact CG-CD2 4.49Å; L250-F254 PolarHBondContact O-N 3.15Å; L250-F263 HydrophobicContact CB-CZ 4.27Å; L250-F263 HydrophobicContact CD2-CE2 4.48Å; L250-F263 HydrophobicContact CD2-CZ 3.89Å; L250-L278 HydrophobicContact CD2-CD1 4.31Å
251P91.6Very high86.4Confident43 Ų4345.9 Ų45.928%0.27927%0.271SS..Hα-helixtrans-56-17.5176.3-29.732.4000115.9L227 I249 F254 F263 K281L227-P251 HydrophobicContact CD1-CG 3.69Å; I249-P251 HydrophobicContact CG2-CG 4.29Å; P251-F254 WeakPolarHBondContact CA-O 3.24Å; P251-F263 HydrophobicContact CB-CD1 4.39Å; P251-F263 HydrophobicContact CG-CD1 4.05Å; P251-F263 HydrophobicContact CG-CE1 4.41Å; P251-F263 HydrophobicContact CG-CG 4.36Å; P251-K281 VanDerWaalsContact O-CE 3.24Å; P251-K281 WeakPolarHBondContact O-CE 3.3Å; P251-K281 PolarHBondContact O-NZ 3Å
252S89.9Confident86Confident64 Ų6450.2 Ų50.245%0.44829%0.291SS..Hα-helixtrans-72.8-34.1175.473.30000112I249 L250 K281I249-S252 VanDerWaalsContact O-CB 3.26Å; I249-S252 WeakPolarHBondContact O-CB 3.4Å; I249-S252 PolarHBondContact O-N 2.89Å; I249-S252 PolarHBondContact O-OG 2.97Å; L250-S252 PolarHBondContact O-N 2.85Å; S252-K281 WeakPolarHBondContact O-CD 3.39Å; S252-K281 WeakPolarHBondContact O-CE 3.44Å; S252-K281 PolarHBondContact O-NZ 2.62Å
253V90.9Very high86Confident4 Ų448.9 Ų48.92%0.02428%0.284CS..Hα-helixtrans-101.8-38.6-176.5174.80000112.1L240 Q242 L243 L250 S280 K281 L284L240-V253 HydrophobicContact CD1-CG1 4.3Å; Q242-V253 HydrophobicContact CB-CG2 4.24Å; L243-V253 HydrophobicContact CD2-CB 4.09Å; L243-V253 HydrophobicContact CD2-CG1 3.95Å; L243-V253 HydrophobicContact CD2-CG2 4.07Å; L243-V253 HydrophobicContact CG-CG1 4.16Å; L250-V253 PolarHBondContact O-N 3.4Å; V253-S280 CarbonylContact O-C 3.59Å; V253-S280 WeakPolarHBondContact O-CA 3.33Å; V253-K281 PolarHBondContact O-N 2.99Å; V253-L284 HydrophobicContact CB-CD1 4.34Å; V253-L284 HydrophobicContact CG1-CD1 3.95Å
254F93.2Very high86Confident2 Ų251 Ų511%0.00930%0.299CS..EExtended strand (participates in β ladder)trans-114.9145.6-175.1-67.4-75.2000112.3L221 L240 L243 L250 P251 F263 L278 R279 L306L221-F254 HydrophobicContact CD1-CD2 4.17Å; L221-F254 HydrophobicContact CD1-CE2 3.67Å; L221-F254 HydrophobicContact CD1-CZ 4.27Å; L240-F254 HydrophobicContact CD1-CE1 3.99Å; L240-F254 HydrophobicContact CD1-CZ 3.6Å; L243-F254 HydrophobicContact CD1-CE2 3.74Å; L243-F254 HydrophobicContact CD1-CZ 3.98Å; L243-F254 HydrophobicContact CD2-CD2 4.38Å; L243-F254 HydrophobicContact CD2-CE2 3.79Å; L243-F254 HydrophobicContact CG-CE2 4.35Å; L250-F254 HydrophobicContact CG-CD2 4.49Å; L250-F254 PolarHBondContact O-N 3.15Å; P251-F254 WeakPolarHBondContact CA-O 3.24Å; F254-F263 HydrophobicContact CB-CE1 4.3Å; F254-L278 HydrophobicContact CB-CB 4.36Å; F254-L278 HydrophobicContact CD1-CB 4Å; F254-L278 HydrophobicContact CG-CB 4.31Å; F254-L278 HydrophobicContact CG-CD1 4.42Å; F254-R279 CarbonylContact C-O 3.56Å; F254-R279 VanDerWaalsContact CA-O 3.28Å; F254-R279 WeakPolarHBondContact CA-O 3.41Å; F254-L306 HydrophobicContact CE1-CD1 3.93Å; F254-L306 HydrophobicContact CZ-CD1 3.87Å
255S90.5Very high85.9Confident50 Ų5047.7 Ų47.735%0.3528%0.283SS..EExtended strand (participates in β ladder)trans-106.1142.7160.755.90000109.8V257 R279S255-V257 PolarHBondContact O-N 3.44Å; S255-R279 PolarHBondContact N-O 2.62Å; S255-R279 PolarHBondContact O-N 3.11Å; S255-R279 PolarHBondContact OG-O 3.24Å
256L87.5Confident85.7Confident26 Ų2651.6 Ų51.614%0.13630%0.295CS..EExtended strand (participates in β ladder)trans-80.9116.7174.9-175.763.5000108.8R258 P259 I261 F263 F276 L278L256-R258 WeakPolarHBondContact CD1-O 3.36Å; L256-P259 WeakPolarHBondContact CD2-O 3.45Å; L256-P259 WeakPolarHBondContact CG-O 3.39Å; L256-I261 HydrophobicContact CD2-CD1 4.06Å; L256-I261 HydrophobicContact CD2-CG1 3.4Å; L256-F263 HydrophobicContact CB-CB 4.27Å; L256-F263 HydrophobicContact CB-CD1 4.06Å; L256-F263 HydrophobicContact CB-CD2 4.48Å; L256-F263 HydrophobicContact CB-CE1 4.46Å; L256-F263 HydrophobicContact CB-CG 4.05Å; L256-F263 HydrophobicContact CD2-CD2 4.49Å; L256-F276 HydrophobicContact CD1-CD1 3.89Å; L256-L278 HydrophobicContact CB-CD2 4.4Å; L256-L278 HydrophobicContact CD1-CD2 3.56Å
257V82.9Confident85.6Confident29 Ų2949.6 Ų49.618%0.17628%0.275CS..EExtended strand (participates in β ladder)trans-90.2-42.3177.2-175.90000110.2S255 H260 V277 R279S255-V257 PolarHBondContact O-N 3.44Å; V257-H260 PolarHBondContact O-CE1 3.34Å; V257-H260 PolarHBondContact O-ND1 2.92Å; V257-V277 HydrophobicContact CB-CB 4.3Å; V257-V277 HydrophobicContact CB-CG1 4.16Å; V257-V277 WeakPolarHBondContact CB-O 3.2Å; V257-V277 PolarHBondContact N-O 2.79Å; V257-R279 HydrophobicContact CG2-CB 3.44Å; V257-R279 VanDerWaalsContact CG2-CB 3.44Å
258R77.5Confident85.6Confident76 Ų7646.3 Ų46.329%0.28725%0.248SC..EExtended strand (participates in β ladder)trans-142.5142.2175.7-64.1-174.3-172.8168.70.6110.8D102 S119 L256 F276 V277D102-R258 IonicContact OD2-CZ 2.81Å; D102-R258 VanDerWaalsContact OD2-CZ 3.3Å; D102-R258 IonicContact OD2-NH1 2.82Å; D102-R258 PolarHBondContact OD2-NH1 3.3Å; D102-R258 IonicContact OD2-NH2 3.8Å; D102-R258 PolarHBondContact OD2-NH2 3.11Å; S119-R258 PolarHBondContact OG-NH2 3.4Å; L256-R258 WeakPolarHBondContact CD1-O 3.36Å; R258-F276 CarbonylContact O-C 3.3Å; R258-F276 VanDerWaalsContact O-CA 3.31Å; R258-F276 WeakPolarHBondContact O-CA 3.47Å; R258-V277 HydrophobicContact CB-CB 4.13Å; R258-V277 HydrophobicContact CB-CG2 4.19Å; R258-V277 PolarHBondContact N-O 3.11Å; R258-V277 PolarHBondContact O-N 3.43Å
259P73.7Confident85Confident11 Ų1148.4 Ų48.47%0.07126%0.258CS..SBendcis-68.5158.2-1128.7-32.6000111.9L256 I261 H271 F276L256-P259 WeakPolarHBondContact CD2-O 3.45Å; L256-P259 WeakPolarHBondContact CG-O 3.39Å; P259-I261 VanDerWaalsContact C-N 3.27Å; P259-I261 HydrophobicContact CB-CG2 4.28Å; P259-I261 HydrophobicContact CG-CD1 3.91Å; P259-I261 HydrophobicContact CG-CG1 4.05Å; P259-I261 HydrophobicContact CG-CG2 4.29Å; P259-I261 PolarHBondContact O-N 3.45Å; P259-H271 HydrophobicContact CG-CB 4.11Å; P259-F276 VanDerWaalsContact CD-CD1 3.48Å; P259-F276 HydrophobicContact CG-CD1 4.42Å; P259-F276 HydrophobicContact CG-CE1 3.96Å; P259-F276 HydrophobicContact CG-CZ 4.33Å
260H73.4Confident84Confident111 Ų11147.7 Ų47.751%0.51426%0.261SS..  trans-7481.8175.3-66-61.1000110.3Y136 V257Y136-H260 AromaticContact CE1-CD2 3.92Å; Y136-H260 AromaticContact CZ-CD2 3.99Å; V257-H260 PolarHBondContact O-CE1 3.34Å; V257-H260 PolarHBondContact O-ND1 2.92Å
261I81.2Confident83.1Confident37 Ų3749.9 Ų49.919%0.1927%0.271CS..SBendtrans-133.8163.6178.561.9172000109.1L256 P259 F263 G267 H271 F276L256-I261 HydrophobicContact CD2-CD1 4.06Å; L256-I261 HydrophobicContact CD2-CG1 3.4Å; P259-I261 VanDerWaalsContact C-N 3.27Å; P259-I261 HydrophobicContact CB-CG2 4.28Å; P259-I261 HydrophobicContact CG-CD1 3.91Å; P259-I261 HydrophobicContact CG-CG1 4.05Å; P259-I261 HydrophobicContact CG-CG2 4.29Å; P259-I261 PolarHBondContact O-N 3.45Å; I261-F263 PolarHBondContact O-N 2.91Å; I261-G267 VanDerWaalsContact CD1-C 3.42Å; I261-G267 VanDerWaalsContact CD1-O 3.27Å; I261-G267 WeakPolarHBondContact CD1-O 3.4Å; I261-H271 HydrophobicContact CD1-CB 4.4Å; I261-F276 HydrophobicContact CD1-CE1 4.38Å
262D80.4Confident82.2Confident138 Ų13849.9 Ų49.974%0.73827%0.269SS*.  trans-61.9128168.9-67-35.7000109.7S264D262-S264 PolarHBondContact O-N 2.66Å; D262-S264 PolarHBondContact O-OG 3.42Å
263F86.3Confident81Confident41 Ų4154 Ų5418%0.1829%0.286CS..SBendtrans-73.377.9-178.7-161.7-179.7000110L227 L250 P251 F254 L256 I261 I268 L278L227-F263 HydrophobicContact CD1-CD2 4.45Å; L227-F263 WeakPolarHBondContact CD1-O 3.39Å; L250-F263 HydrophobicContact CB-CZ 4.27Å; L250-F263 HydrophobicContact CD2-CE2 4.48Å; L250-F263 HydrophobicContact CD2-CZ 3.89Å; P251-F263 HydrophobicContact CB-CD1 4.39Å; P251-F263 HydrophobicContact CG-CD1 4.05Å; P251-F263 HydrophobicContact CG-CE1 4.41Å; P251-F263 HydrophobicContact CG-CG 4.36Å; F254-F263 HydrophobicContact CB-CE1 4.3Å; L256-F263 HydrophobicContact CB-CB 4.27Å; L256-F263 HydrophobicContact CB-CD1 4.06Å; L256-F263 HydrophobicContact CB-CD2 4.48Å; L256-F263 HydrophobicContact CB-CE1 4.46Å; L256-F263 HydrophobicContact CB-CG 4.05Å; L256-F263 HydrophobicContact CD2-CD2 4.49Å; I261-F263 PolarHBondContact O-N 2.91Å; F263-I268 HydrophobicContact CD2-CD1 4Å; F263-I268 HydrophobicContact CE2-CD1 3.84Å; F263-L278 HydrophobicContact CE1-CD2 4.16Å; F263-L278 HydrophobicContact CE2-CD2 4.37Å; F263-L278 HydrophobicContact CZ-CD1 4.49Å; F263-L278 HydrophobicContact CZ-CD2 3.71Å
264S88.8Confident80.2Confident44 Ų4456.1 Ų56.131%0.30830%0.298SS..SBendtrans-134.4154.5-176.167.30000110D262 H266 G267 I268D262-S264 PolarHBondContact O-N 2.66Å; D262-S264 PolarHBondContact O-OG 3.42Å; S264-H266 VanDerWaalsContact C-N 3.33Å; S264-H266 PolarHBondContact O-N 3.26Å; S264-G267 PolarHBondContact O-N 3.3Å; S264-G267 PolarHBondContact OG-N 2.87Å; S264-G267 VanDerWaalsContact OG-N 3.1Å; S264-I268 WeakPolarHBondContact O-CG1 3.34Å; S264-I268 PolarHBondContact O-N 2.93Å
265F86.6Confident79.5Confident36 Ų3660 Ų6016%0.15832%0.322CS..Hα-helixtrans-58.6-43.8-179.7-172.6-96.3000112.6K225 L227 I268 L269 Y312 I319K225-F265 HydrophobicContact CB-CD1 4.48Å; K225-F265 HydrophobicContact CB-CD2 4.36Å; K225-F265 HydrophobicContact CB-CE2 4.4Å; K225-F265 HydrophobicContact CB-CG 4.37Å; K225-F265 WeakPolarHBondContact O-CB 3.4Å; L227-F265 HydrophobicContact CD2-CB 4.4Å; F265-I268 PolarHBondContact O-N 3.36Å; F265-L269 HydrophobicContact CD1-CD1 3.76Å; F265-L269 HydrophobicContact CD1-CG 4.39Å; F265-L269 HydrophobicContact CE1-CD1 3.35Å; F265-L269 HydrophobicContact CE1-CG 4.16Å; F265-L269 HydrophobicContact CZ-CD1 4.09Å; F265-L269 PolarHBondContact O-N 2.86Å; F265-Y312 HydrophobicContact CZ-CD2 4.15Å; F265-Y312 AromaticContact CZ-CE2 3.81Å; F265-Y312 HydrophobicContact CZ-CE2 3.81Å; F265-I319 HydrophobicContact CD2-CD1 3.44Å; F265-I319 VanDerWaalsContact CD2-CD1 3.44Å; F265-I319 HydrophobicContact CD2-CG1 4.12Å; F265-I319 HydrophobicContact CE2-CD1 3.38Å; F265-I319 HydrophobicContact CE2-CG1 3.56Å; F265-I319 HydrophobicContact CG-CD1 4.23Å; F265-I319 HydrophobicContact CZ-CD1 4.09Å; F265-I319 HydrophobicContact CZ-CG1 4.18Å
266H82.3Confident79.4Confident148 Ų14857.6 Ų57.669%0.68531%0.305SS*.Hα-helixtrans-67.6-39177.2-17060.2000112.2S264 I268 L269 S270S264-H266 VanDerWaalsContact C-N 3.33Å; S264-H266 PolarHBondContact O-N 3.26Å; H266-I268 VanDerWaalsContact C-N 3.35Å; H266-I268 PolarHBondContact O-N 3.11Å; H266-L269 PolarHBondContact O-N 3Å; H266-S270 PolarHBondContact O-N 3.33Å; H266-S270 PolarHBondContact O-OG 3.34Å
267G81.4Confident79.4Confident11 Ų1156.6 Ų56.611%0.11330%0.3CS..Hα-helixtrans-57.1-47.6173.200000111.8I261 S264 S270 H271I261-G267 VanDerWaalsContact CD1-C 3.42Å; I261-G267 VanDerWaalsContact CD1-O 3.27Å; I261-G267 WeakPolarHBondContact CD1-O 3.4Å; S264-G267 PolarHBondContact O-N 3.3Å; S264-G267 PolarHBondContact OG-N 2.87Å; S264-G267 VanDerWaalsContact OG-N 3.1Å; G267-S270 PolarHBondContact O-N 2.99Å; G267-S270 PolarHBondContact O-OG 3.46Å; G267-H271 PolarHBondContact O-N 2.87Å; G267-H271 PolarHBondContact O-ND1 3.39Å
268I85.2Confident79.9Confident1 Ų155.2 Ų55.21%0.00529%0.292CS..Hα-helixtrans-63.8-46.8179.1-62.5163.3000110.9F223 L227 F263 S264 F265 H266 S270 H271 I272 F276 M310 I319F223-I268 HydrophobicContact CE2-CD1 3.95Å; F223-I268 HydrophobicContact CZ-CD1 4.1Å; L227-I268 HydrophobicContact CD2-CD1 4.14Å; F263-I268 HydrophobicContact CD2-CD1 4Å; F263-I268 HydrophobicContact CE2-CD1 3.84Å; S264-I268 WeakPolarHBondContact O-CG1 3.34Å; S264-I268 PolarHBondContact O-N 2.93Å; F265-I268 PolarHBondContact O-N 3.36Å; H266-I268 VanDerWaalsContact C-N 3.35Å; H266-I268 PolarHBondContact O-N 3.11Å; I268-S270 VanDerWaalsContact C-N 3.34Å; I268-S270 PolarHBondContact O-N 3.27Å; I268-H271 CarbonylContact O-C 3.6Å; I268-H271 VanDerWaalsContact O-C 3.27Å; I268-H271 PolarHBondContact O-N 3.39Å; I268-I272 PolarHBondContact O-N 3.11Å; I268-F276 HydrophobicContact CB-CE1 4.32Å; I268-F276 HydrophobicContact CB-CZ 4.45Å; I268-F276 HydrophobicContact CG1-CE1 4.17Å; I268-F276 HydrophobicContact CG2-CE1 3.94Å; I268-F276 HydrophobicContact CG2-CZ 3.82Å; I268-M310 HydrophobicContact CG2-CB 3.85Å; I268-M310 HydrophobicContact CG2-CG 3.77Å; I268-M310 HydrophobicContact CG2-SD 4.34Å; I268-I319 HydrophobicContact CB-CD1 4.19Å; I268-I319 HydrophobicContact CG2-CD1 3.89Å; I268-I319 HydrophobicContact CG2-CG2 4.47Å
269L77.5Confident80.5Confident52 Ų5254.6 Ų54.627%0.27229%0.29SS..Hα-helixtrans-60.3-41.1179.1-79.1178.8000112.8F265 H266 H271 I272 Y312 I319F265-L269 HydrophobicContact CD1-CD1 3.76Å; F265-L269 HydrophobicContact CD1-CG 4.39Å; F265-L269 HydrophobicContact CE1-CD1 3.35Å; F265-L269 HydrophobicContact CE1-CG 4.16Å; F265-L269 HydrophobicContact CZ-CD1 4.09Å; F265-L269 PolarHBondContact O-N 2.86Å; H266-L269 PolarHBondContact O-N 3Å; L269-H271 PolarHBondContact O-N 3.29Å; L269-H271 VanDerWaalsContact O-N 3.16Å; L269-I272 HydrophobicContact CD2-CD1 4.06Å; L269-I272 WeakPolarHBondContact O-CB 3.23Å; L269-I272 PolarHBondContact O-N 3.12Å; L269-Y312 HydrophobicContact CD2-CD1 4.35Å; L269-Y312 HydrophobicContact CD2-CD2 4.05Å; L269-Y312 HydrophobicContact CD2-CG 3.8Å; L269-I319 HydrophobicContact CD2-CD1 4.49Å; L269-I319 HydrophobicContact CG-CD1 4.41Å
270S71.6Confident81.3Confident77 Ų7754 Ų5454%0.53829%0.286SS..Hα-helixtrans-64.1-17.617764.30000113.7H266 G267 I268H266-S270 PolarHBondContact O-N 3.33Å; H266-S270 PolarHBondContact O-OG 3.34Å; G267-S270 PolarHBondContact O-N 2.99Å; G267-S270 PolarHBondContact O-OG 3.46Å; I268-S270 VanDerWaalsContact C-N 3.34Å; I268-S270 PolarHBondContact O-N 3.27Å
271H73.1Confident82Confident47 Ų4753.1 Ų53.122%0.21828%0.281CS..THydrogen-bonded Turntrans-122.924.4-178.6-67.476.3000112.2R121 P259 I261 G267 I268 L269 N273 T274 F276R121-H271 PolarHBondContact NH2-NE2 3.28Å; P259-H271 HydrophobicContact CG-CB 4.11Å; I261-H271 HydrophobicContact CD1-CB 4.4Å; G267-H271 PolarHBondContact O-N 2.87Å; G267-H271 PolarHBondContact O-ND1 3.39Å; I268-H271 CarbonylContact O-C 3.6Å; I268-H271 VanDerWaalsContact O-C 3.27Å; I268-H271 PolarHBondContact O-N 3.39Å; L269-H271 PolarHBondContact O-N 3.29Å; L269-H271 VanDerWaalsContact O-N 3.16Å; H271-N273 PolarHBondContact O-N 3.25Å; H271-N273 VanDerWaalsContact O-N 3.11Å; H271-T274 HydrophobicContact CB-CG2 4.26Å; H271-T274 WeakPolarHBondContact O-CB 3.34Å; H271-T274 PolarHBondContact O-N 2.99Å; H271-T274 PolarHBondContact O-OG1 3.48Å; H271-F276 HydrophobicContact CB-CZ 4.11Å; H271-F276 VanDerWaalsContact O-CE2 3.24Å; H271-F276 WeakPolarHBondContact O-CE2 3.35Å; H271-F276 WeakPolarHBondContact O-CZ 3.33Å
272I73.4Confident82.1Confident43 Ų4358.2 Ų58.222%0.22130%0.304CS..THydrogen-bonded Turntrans-60-28.9-171-160.4168.1000113.5I268 L269 T274 M310I268-I272 PolarHBondContact O-N 3.11Å; L269-I272 HydrophobicContact CD2-CD1 4.06Å; L269-I272 WeakPolarHBondContact O-CB 3.23Å; L269-I272 PolarHBondContact O-N 3.12Å; I272-T274 PolarHBondContact O-N 3.27Å; I272-M310 WeakPolarHBondContact CG1-O 3.28Å
273N63.7Low81.9Confident151 Ų15155 Ų5581%0.80730%0.303SS*.THydrogen-bonded Turntrans-81.57.3178.3-64.6-17.9000113.5H271H271-N273 PolarHBondContact O-N 3.25Å; H271-N273 VanDerWaalsContact O-N 3.11Å
274T73.6Confident81.7Confident47 Ų4754.8 Ų54.829%0.28830%0.303SS..SBendtrans-102.2158.2177.169.80000111.7H271 I272 F276H271-T274 HydrophobicContact CB-CG2 4.26Å; H271-T274 WeakPolarHBondContact O-CB 3.34Å; H271-T274 PolarHBondContact O-N 2.99Å; H271-T274 PolarHBondContact O-OG1 3.48Å; I272-T274 PolarHBondContact O-N 3.27Å; T274-F276 WeakPolarHBondContact O-CD2 3.44Å; T274-F276 VanDerWaalsContact O-CE2 3.31Å; T274-F276 WeakPolarHBondContact O-CE2 3.22Å
275V79.7Confident81.4Confident84 Ų8453.7 Ų53.751%0.50929%0.294SS..EExtended strand (participates in β ladder)trans-78.6127.8171.4178.70000109.3K307V275-K307 HydrophobicContact CG1-CD 4.46Å; V275-K307 HydrophobicContact CG1-CG 3.73Å
276F86.7Confident80.5Confident0 Ų057.6 Ų57.60%032%0.317CS..EExtended strand (participates in β ladder)trans-97.6137.6178.3-70.5-101.3000110.6L256 R258 P259 I261 I268 H271 T274 K307 G308 M310 F321L256-F276 HydrophobicContact CD1-CD1 3.89Å; R258-F276 CarbonylContact O-C 3.3Å; R258-F276 VanDerWaalsContact O-CA 3.31Å; R258-F276 WeakPolarHBondContact O-CA 3.47Å; P259-F276 VanDerWaalsContact CD-CD1 3.48Å; P259-F276 HydrophobicContact CG-CD1 4.42Å; P259-F276 HydrophobicContact CG-CE1 3.96Å; P259-F276 HydrophobicContact CG-CZ 4.33Å; I261-F276 HydrophobicContact CD1-CE1 4.38Å; I268-F276 HydrophobicContact CB-CE1 4.32Å; I268-F276 HydrophobicContact CB-CZ 4.45Å; I268-F276 HydrophobicContact CG1-CE1 4.17Å; I268-F276 HydrophobicContact CG2-CE1 3.94Å; I268-F276 HydrophobicContact CG2-CZ 3.82Å; H271-F276 HydrophobicContact CB-CZ 4.11Å; H271-F276 VanDerWaalsContact O-CE2 3.24Å; H271-F276 WeakPolarHBondContact O-CE2 3.35Å; H271-F276 WeakPolarHBondContact O-CZ 3.33Å; T274-F276 WeakPolarHBondContact O-CD2 3.44Å; T274-F276 VanDerWaalsContact O-CE2 3.31Å; T274-F276 WeakPolarHBondContact O-CE2 3.22Å; F276-K307 WeakPolarHBondContact O-CA 3.47Å; F276-G308 PolarHBondContact N-O 3.14Å; F276-G308 PolarHBondContact O-N 2.65Å; F276-M310 HydrophobicContact CB-CE 4.11Å; F276-M310 HydrophobicContact CB-CG 4.07Å; F276-M310 HydrophobicContact CD1-CE 4.23Å; F276-M310 HydrophobicContact CD1-CG 3.91Å; F276-M310 HydrophobicContact CD2-CB 3.88Å; F276-M310 HydrophobicContact CD2-CG 3.35Å; F276-M310 HydrophobicContact CE1-CG 4.22Å; F276-M310 HydrophobicContact CE2-CB 3.85Å; F276-M310 HydrophobicContact CE2-CG 3.67Å; F276-M310 HydrophobicContact CG-CB 4.5Å; F276-M310 HydrophobicContact CG-CE 4.19Å; F276-M310 HydrophobicContact CG-CG 3.5Å; F276-M310 VanDerWaalsContact CG-CG 3.5Å; F276-M310 HydrophobicContact CZ-CB 4.44Å; F276-M310 HydrophobicContact CZ-CG 4.11Å; F276-F321 HydrophobicContact CB-CE2 3.79Å; F276-F321 HydrophobicContact CB-CZ 4.35Å
277V89.3Confident79.8Confident5 Ų553.2 Ų53.23%0.0330%0.3CS..EExtended strand (participates in β ladder)trans-123.3113.2172.7-176.60000108.7V257 R258 L306 K307V257-V277 HydrophobicContact CB-CB 4.3Å; V257-V277 HydrophobicContact CB-CG1 4.16Å; V257-V277 WeakPolarHBondContact CB-O 3.2Å; V257-V277 PolarHBondContact N-O 2.79Å; R258-V277 HydrophobicContact CB-CB 4.13Å; R258-V277 HydrophobicContact CB-CG2 4.19Å; R258-V277 PolarHBondContact N-O 3.11Å; R258-V277 PolarHBondContact O-N 3.43Å; V277-L306 CarbonylContact C-O 3.57Å; V277-L306 WeakPolarHBondContact CA-O 3.46Å; V277-K307 HydrophobicContact CG2-CB 4.33Å; V277-K307 HydrophobicContact CG2-CG 4.1Å
278L92.3Very high78.6Confident0 Ų061.1 Ų61.10%033%0.334CS..EExtended strand (participates in β ladder)trans-99.9141.1174-60.5-175.3000110L221 L250 F254 L256 F263 R305 L306 M310 F321L221-L278 HydrophobicContact CD1-CD1 4.19Å; L250-L278 HydrophobicContact CD2-CD1 4.31Å; F254-L278 HydrophobicContact CB-CB 4.36Å; F254-L278 HydrophobicContact CD1-CB 4Å; F254-L278 HydrophobicContact CG-CB 4.31Å; F254-L278 HydrophobicContact CG-CD1 4.42Å; L256-L278 HydrophobicContact CB-CD2 4.4Å; L256-L278 HydrophobicContact CD1-CD2 3.56Å; F263-L278 HydrophobicContact CE1-CD2 4.16Å; F263-L278 HydrophobicContact CE2-CD2 4.37Å; F263-L278 HydrophobicContact CZ-CD1 4.49Å; F263-L278 HydrophobicContact CZ-CD2 3.71Å; L278-R305 CarbonylContact O-C 3.2Å; L278-R305 VanDerWaalsContact O-CA 3.31Å; L278-R305 WeakPolarHBondContact O-CA 3.16Å; L278-L306 PolarHBondContact N-O 3.22Å; L278-L306 PolarHBondContact O-N 3.3Å; L278-M310 HydrophobicContact CD1-CE 4.17Å; L278-F321 HydrophobicContact CB-CE1 4.34Å; L278-F321 HydrophobicContact CD1-CD1 3.74Å; L278-F321 HydrophobicContact CD1-CE1 3.53Å; L278-F321 HydrophobicContact CD1-CZ 4.27Å; L278-F321 HydrophobicContact CG-CD1 4.47Å; L278-F321 HydrophobicContact CG-CE1 3.81Å; L278-F321 HydrophobicContact CG-CZ 4.12Å
279R90.6Very high77Confident62 Ų6267.4 Ų67.423%0.23437%0.373CS..EExtended strand (participates in β ladder)trans-119.8129.9173.4174.8-175.2-72.2178-11109.4F254 S255 V257 E300 C303 L304 R305F254-R279 CarbonylContact C-O 3.56Å; F254-R279 VanDerWaalsContact CA-O 3.28Å; F254-R279 WeakPolarHBondContact CA-O 3.41Å; S255-R279 PolarHBondContact N-O 2.62Å; S255-R279 PolarHBondContact O-N 3.11Å; S255-R279 PolarHBondContact OG-O 3.24Å; V257-R279 HydrophobicContact CG2-CB 3.44Å; V257-R279 VanDerWaalsContact CG2-CB 3.44Å; R279-E300 IonicContact CZ-OE1 2.74Å; R279-E300 IonicContact CZ-OE2 3.68Å; R279-E300 IonicContact NE-OE1 3.95Å; R279-E300 IonicContact NE-OE2 3.93Å; R279-E300 PolarHBondContact NE-OE2 3.39Å; R279-E300 IonicContact NH1-OE1 3.14Å; R279-E300 PolarHBondContact NH1-OE1 2.86Å; R279-E300 IonicContact NH1-OE2 2.97Å; R279-E300 PolarHBondContact NH1-OE2 3.35Å; R279-E300 IonicContact NH2-OE1 2.74Å; R279-E300 PolarHBondContact NH2-OE1 3.28Å; R279-E300 IonicContact NH2-OE2 3.23Å; R279-E300 PolarHBondContact NH2-OE2 3.15Å; R279-C303 HydrophobicContact CG-CB 4.02Å; R279-L304 CarbonylContact C-O 3.32Å; R279-L304 WeakPolarHBondContact CA-O 3.46Å; R279-R305 HydrophobicContact CB-CG 4.31Å; R279-R305 HydrophobicContact CG-CG 4.34Å
280S90.9Very high75.6Confident0 Ų070.3 Ų70.30%039%0.392CS..EExtended strand (participates in β ladder)trans-67.9145.7172.470.60000110.1V253 C303 L304V253-S280 CarbonylContact O-C 3.59Å; V253-S280 WeakPolarHBondContact O-CA 3.33Å; S280-C303 PolarHBondContact O-SG 3.36Å; S280-L304 PolarHBondContact N-O 3.25Å; S280-L304 PolarHBondContact OG-N 3.43Å
281K87.8Confident74.2Confident92 Ų9275.3 Ų75.340%0.441%0.407SS..PPolyproline II helixtrans-66.3154.4171.2-64.2-176.4-170.7165.50111.3P251 S252 V253 L284P251-K281 VanDerWaalsContact O-CE 3.24Å; P251-K281 WeakPolarHBondContact O-CE 3.3Å; P251-K281 PolarHBondContact O-NZ 3Å; S252-K281 WeakPolarHBondContact O-CD 3.39Å; S252-K281 WeakPolarHBondContact O-CE 3.44Å; S252-K281 PolarHBondContact O-NZ 2.62Å; V253-K281 PolarHBondContact O-N 2.99Å; K281-L284 HydrophobicContact CB-CD1 3.92Å
282E82.4Confident72.7Confident144 Ų14479.1 Ų79.167%0.67343%0.429SS*.THydrogen-bonded Turntrans-61.2146.2-179.1-63.6178.7-177.300111.9L284E282-L284 VanDerWaalsContact C-N 3.31Å; E282-L284 PolarHBondContact O-N 3.29Å
283G77.3Confident71.1Confident70 Ų7085.3 Ų85.372%0.72246%0.457SS*.THydrogen-bonded Turntrans78.46.3175.200000115.6
284L82.8Confident70.1Confident36 Ų3681.9 Ų81.919%0.18844%0.439CS..  trans-91.3-17.9178.8-62.7-179.7000114.1L240 Q242 V253 K281 E282L240-L284 HydrophobicContact CD2-CB 3.72Å; Q242-L284 HydrophobicContact CG-CD2 4.22Å; Q242-L284 PolarHBondContact NE2-O 2.84Å; V253-L284 HydrophobicContact CB-CD1 4.34Å; V253-L284 HydrophobicContact CG1-CD1 3.95Å; K281-L284 HydrophobicContact CB-CD1 3.92Å; E282-L284 VanDerWaalsContact C-N 3.31Å; E282-L284 PolarHBondContact O-N 3.29Å
285L81.4Confident68.7Low21 Ų2188 Ų8811%0.1146%0.464CS..SBendtrans-82.4134.3178.7-66.1178.3000111.6V239 L240 V287 S302 L304V239-L285 HydrophobicContact CG1-CD2 3.33Å; L240-L285 HydrophobicContact CD2-CD2 3.76Å; L240-L285 HydrophobicContact CD2-CG 4.45Å; L240-L285 HydrophobicContact CG-CD2 4.18Å; L285-V287 VanDerWaalsContact C-N 3.35Å; L285-V287 HydrophobicContact CB-CG2 4.36Å; L285-V287 PolarHBondContact O-N 3.39Å; L285-V287 VanDerWaalsContact O-N 3.13Å; L285-S302 WeakPolarHBondContact CD1-O 3.46Å; L285-L304 HydrophobicContact CD1-CB 4.39Å; L285-L304 HydrophobicContact CD2-CB 4.14Å
286N68.1Low66.8Low119 Ų11990.4 Ų90.464%0.63647%0.473SS*.  trans-85.369.9175.7-70-25.5000111.2
287V66.8Low64.8Low55 Ų5593.5 Ų93.533%0.33349%0.492SS..  trans-127.3136.8176.8-169.50000110.1L285 T289 R335L285-V287 VanDerWaalsContact C-N 3.35Å; L285-V287 HydrophobicContact CB-CG2 4.36Å; L285-V287 PolarHBondContact O-N 3.39Å; L285-V287 VanDerWaalsContact O-N 3.13Å; V287-T289 PolarHBondContact O-N 2.83Å; V287-R335 WeakPolarHBondContact CG1-O 3.25Å
288E56.6Low62.5Low177 Ų17796.3 Ų96.383%0.82752%0.522SS*.  trans-64.3118.1172.5-68.2-176.7170.100109V290E288-V290 PolarHBondContact O-N 2.81Å
289T51.9Low60.3Low133 Ų133100.3 Ų100.382%0.81655%0.547SS*.  trans-67.697.1175.446.80000109V287 E291V287-T289 PolarHBondContact O-N 2.83Å; T289-E291 PolarHBondContact O-N 3.48Å
290V48.2Very low58.5Low113 Ų113100.4 Ų100.469%0.68555%0.55SS*.  trans-73.3117.1167.3-173.20000107.1E288 N292E288-V290 PolarHBondContact O-N 2.81Å; V290-N292 PolarHBondContact O-N 3.45Å
291E42.3Very low56.8Low183 Ų183104.5 Ų104.586%0.85557%0.571SS**  trans-67.941.7-178.4-62-178.6156.400114T289T289-E291 PolarHBondContact O-N 3.48Å
292N40.3Very low55.7Low127 Ų127102.5 Ų102.568%0.67957%0.568SS**  trans-104.296.1172.8-73.3-19.5000109V290 D294V290-N292 PolarHBondContact O-N 3.45Å; N292-D294 PolarHBondContact O-N 3.49Å
293E41.3Very low55.6Low173 Ų17395.8 Ų95.881%0.80854%0.537SS*.  trans-63.798.5166.1-68.3-179.7158.300108.8E295E293-E295 PolarHBondContact O-N 3.46Å
294D41.3Very low56.1Low78 Ų7892.5 Ų92.542%0.41750%0.503SS..  trans-69.190.5157.6-93.1-37.6000107.2N292 L296 T297 R335N292-D294 PolarHBondContact O-N 3.49Å; D294-L296 PolarHBondContact O-N 3.46Å; D294-T297 PolarHBondContact O-N 2.97Å; D294-R335 IonicContact OD2-CZ 2.68Å; D294-R335 IonicContact OD2-NH1 3.28Å; D294-R335 IonicContact OD2-NH2 3.43Å; D294-R335 PolarHBondContact OD2-NH2 3.34Å
295E44Very low56.4Low175 Ų17594.2 Ų94.282%0.81851%0.507SS*.THydrogen-bonded Turntrans-54-17.7176.6-71.8-177.8155.100113E293E293-E295 PolarHBondContact O-N 3.46Å
296L40.3Very low57Low135 Ų13593.2 Ų93.271%0.70750%0.502SS*.THydrogen-bonded Turntrans-77.9-31.3-177-113.586.4000114.9D294D294-L296 PolarHBondContact O-N 3.46Å
297T44.6Very low58.1Low65 Ų6590.9 Ų90.940%0.39949%0.486SS..THydrogen-bonded Turntrans-102.3-21.4-167.449.40000115.4D294 V299D294-T297 PolarHBondContact O-N 2.97Å; T297-V299 WeakPolarHBondContact O-CG2 3.4Å; T297-V299 PolarHBondContact O-N 3.45Å
298G42Very low59.2Low64 Ų6489 Ų8966%0.6648%0.477SS*.  trans54.314.5169.700000118.4
299V46.3Very low60.7Low84 Ų8485.4 Ų85.451%0.50946%0.46SS..SBendtrans-137.4117.1-173.6-178.60000113T297 I301T297-V299 WeakPolarHBondContact O-CG2 3.4Å; T297-V299 PolarHBondContact O-N 3.45Å; V299-I301 PolarHBondContact O-N 3.04Å
300E52.2Low62.4Low65 Ų6579.1 Ų79.130%0.30442%0.422SS..  trans33.275.3149.1-62.5172.1-173.300119.4R279 S302R279-E300 IonicContact CZ-OE1 2.74Å; R279-E300 IonicContact CZ-OE2 3.68Å; R279-E300 IonicContact NE-OE1 3.95Å; R279-E300 IonicContact NE-OE2 3.93Å; R279-E300 PolarHBondContact NE-OE2 3.39Å; R279-E300 IonicContact NH1-OE1 3.14Å; R279-E300 PolarHBondContact NH1-OE1 2.86Å; R279-E300 IonicContact NH1-OE2 2.97Å; R279-E300 PolarHBondContact NH1-OE2 3.35Å; R279-E300 IonicContact NH2-OE1 2.74Å; R279-E300 PolarHBondContact NH2-OE1 3.28Å; R279-E300 IonicContact NH2-OE2 3.23Å; R279-E300 PolarHBondContact NH2-OE2 3.15Å; E300-S302 PolarHBondContact O-N 3.27Å
301I56Low64.2Low86 Ų8676.6 Ų76.644%0.44140%0.404SS..THydrogen-bonded Turntrans-73.8-18.5174.4-56.3170.7000111.7V299 R335V299-I301 PolarHBondContact O-N 3.04Å; I301-R335 HydrophobicContact CG2-CB 4.27Å; I301-R335 HydrophobicContact CG2-CG 4.46Å
302S64.3Low66.2Low50 Ų5071.8 Ų71.835%0.3538%0.379SS..THydrogen-bonded Turntrans-94.64.2-170.965.80000115.7L285 E300L285-S302 WeakPolarHBondContact CD1-O 3.46Å; E300-S302 PolarHBondContact O-N 3.27Å
303C79.7Confident68.4Low3 Ų368.6 Ų68.62%0.0236%0.361CS..  trans-127138.3-172.1-64.70000113.2R279 S280 R336R279-C303 HydrophobicContact CG-CB 4.02Å; S280-C303 PolarHBondContact O-SG 3.36Å; C303-R336 PolarHBondContact O-NE 3.37Å
304L87.8Confident70.2Confident0 Ų064.7 Ų64.70%035%0.351CS..  trans-91.7122.9172.3179.564.7000109.6V239 L240 R279 S280 L285 L306 P325 L338V239-L304 HydrophobicContact CG1-CD2 4.37Å; L240-L304 HydrophobicContact CD1-CD2 4.1Å; R279-L304 CarbonylContact C-O 3.32Å; R279-L304 WeakPolarHBondContact CA-O 3.46Å; S280-L304 PolarHBondContact N-O 3.25Å; S280-L304 PolarHBondContact OG-N 3.43Å; L285-L304 HydrophobicContact CD1-CB 4.39Å; L285-L304 HydrophobicContact CD2-CB 4.14Å; L304-L306 HydrophobicContact CD1-CD2 4.42Å; L304-L306 HydrophobicContact CD2-CD2 4.08Å; L304-L306 HydrophobicContact CD2-CG 4.36Å; L304-L306 HydrophobicContact CG-CD2 4.1Å; L304-L306 HydrophobicContact CG-CG 4.27Å; L304-P325 HydrophobicContact CD1-CB 4.17Å; L304-L338 HydrophobicContact CD1-CD1 3.95Å
305R89.9Confident72.2Confident73 Ų7370.7 Ų70.728%0.27538%0.376SS..EExtended strand (participates in β ladder)trans-101.1129.7171.1-68.717768.9-162.50.2110.1L278 R279 P325 S326L278-R305 CarbonylContact O-C 3.2Å; L278-R305 VanDerWaalsContact O-CA 3.31Å; L278-R305 WeakPolarHBondContact O-CA 3.16Å; R279-R305 HydrophobicContact CB-CG 4.31Å; R279-R305 HydrophobicContact CG-CG 4.34Å; R305-P325 WeakPolarHBondContact O-CA 3.29Å; R305-S326 PolarHBondContact O-N 3.12Å
306L92.9Very high74Confident0 Ų065 Ų650%036%0.359CS..EExtended strand (participates in β ladder)trans-117.9122178.1-62.6175.4000108.6F219 I236 F254 V277 L278 L304 F321 C323 P325F219-L306 HydrophobicContact CD1-CD2 4.01Å; I236-L306 HydrophobicContact CD1-CD1 3.77Å; I236-L306 HydrophobicContact CD1-CD2 4.43Å; I236-L306 HydrophobicContact CG1-CD1 4.41Å; F254-L306 HydrophobicContact CE1-CD1 3.93Å; F254-L306 HydrophobicContact CZ-CD1 3.87Å; V277-L306 CarbonylContact C-O 3.57Å; V277-L306 WeakPolarHBondContact CA-O 3.46Å; L278-L306 PolarHBondContact N-O 3.22Å; L278-L306 PolarHBondContact O-N 3.3Å; L304-L306 HydrophobicContact CD1-CD2 4.42Å; L304-L306 HydrophobicContact CD2-CD2 4.08Å; L304-L306 HydrophobicContact CD2-CG 4.36Å; L304-L306 HydrophobicContact CG-CD2 4.1Å; L304-L306 HydrophobicContact CG-CG 4.27Å; L306-F321 HydrophobicContact CB-CE1 3.97Å; L306-F321 HydrophobicContact CB-CZ 4.47Å; L306-C323 HydrophobicContact CB-CB 4.17Å; L306-P325 HydrophobicContact CD2-CB 4.34Å
307K91.3Very high76.3Confident70 Ų7063.8 Ų63.830%0.30435%0.35SS..EExtended strand (participates in β ladder)trans-111132.8178.4-178.8-179.9-176.6-177.70108.6D106 V275 F276 V277 C323 S324D106-K307 IonicContact OD2-NZ 2.65Å; D106-K307 PolarHBondContact OD2-NZ 3Å; V275-K307 HydrophobicContact CG1-CD 4.46Å; V275-K307 HydrophobicContact CG1-CG 3.73Å; F276-K307 WeakPolarHBondContact O-CA 3.47Å; V277-K307 HydrophobicContact CG2-CB 4.33Å; V277-K307 HydrophobicContact CG2-CG 4.1Å; K307-C323 CarbonylContact O-C 3.59Å; K307-C323 VanDerWaalsContact O-CA 3.25Å; K307-C323 WeakPolarHBondContact O-CA 3.48Å; K307-C323 VanDerWaalsContact O-CB 3.32Å; K307-C323 WeakPolarHBondContact O-CB 3.36Å; K307-S324 PolarHBondContact N-O 3.03Å; K307-S324 PolarHBondContact O-N 3.03Å
308G89.6Confident78.6Confident14 Ų1461.5 Ų61.514%0.14434%0.335CS..EExtended strand (participates in β ladder)trans-178.5-169.5-174.800000114.5F276 L322F276-G308 PolarHBondContact N-O 3.14Å; F276-G308 PolarHBondContact O-N 2.65Å; G308-L322 CarbonylContact C-O 3.51Å; G308-L322 WeakPolarHBondContact CA-O 3.29Å
309Q87.6Confident81Confident102 Ų10258.5 Ų58.548%0.47730%0.304SS..EExtended strand (participates in β ladder)trans-114.6143.2178.2-172.7177.84.400110.6I311 F321 L322Q309-I311 HydrophobicContact CG-CG1 4.45Å; Q309-F321 WeakPolarHBondContact O-CA 3.24Å; Q309-F321 WeakPolarHBondContact O-CD2 3.39Å; Q309-L322 PolarHBondContact N-O 2.65Å; Q309-L322 PolarHBondContact O-N 3.42Å
310M88.2Confident83.3Confident1 Ų155.2 Ų55.21%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-94.5129.7171.8-64.8-74.9-178.200108.9F223 I268 I272 F276 L278 I319 L320 F321F223-M310 HydrophobicContact CE1-CE 4.37Å; F223-M310 HydrophobicContact CE1-SD 4.09Å; F223-M310 HydrophobicContact CZ-CE 4.13Å; F223-M310 HydrophobicContact CZ-SD 3.76Å; I268-M310 HydrophobicContact CG2-CB 3.85Å; I268-M310 HydrophobicContact CG2-CG 3.77Å; I268-M310 HydrophobicContact CG2-SD 4.34Å; I272-M310 WeakPolarHBondContact CG1-O 3.28Å; F276-M310 HydrophobicContact CB-CE 4.11Å; F276-M310 HydrophobicContact CB-CG 4.07Å; F276-M310 HydrophobicContact CD1-CE 4.23Å; F276-M310 HydrophobicContact CD1-CG 3.91Å; F276-M310 HydrophobicContact CD2-CB 3.88Å; F276-M310 HydrophobicContact CD2-CG 3.35Å; F276-M310 HydrophobicContact CE1-CG 4.22Å; F276-M310 HydrophobicContact CE2-CB 3.85Å; F276-M310 HydrophobicContact CE2-CG 3.67Å; F276-M310 HydrophobicContact CG-CB 4.5Å; F276-M310 HydrophobicContact CG-CE 4.19Å; F276-M310 HydrophobicContact CG-CG 3.5Å; F276-M310 VanDerWaalsContact CG-CG 3.5Å; F276-M310 HydrophobicContact CZ-CB 4.44Å; F276-M310 HydrophobicContact CZ-CG 4.11Å; L278-M310 HydrophobicContact CD1-CE 4.17Å; M310-I319 HydrophobicContact CB-CG2 3.92Å; M310-I319 HydrophobicContact CG-CG2 4.36Å; M310-I319 HydrophobicContact SD-CG2 3.68Å; M310-L320 CarbonylContact C-O 3.3Å; M310-F321 HydrophobicContact CE-CB 3.88Å; M310-F321 HydrophobicContact CE-CD1 4.09Å; M310-F321 HydrophobicContact CE-CD2 3.39Å; M310-F321 HydrophobicContact CE-CE1 4.49Å; M310-F321 HydrophobicContact CE-CE2 3.88Å; M310-F321 HydrophobicContact CE-CG 3.52Å; M310-F321 HydrophobicContact CE-CZ 4.4Å; M310-F321 HydrophobicContact CG-CD2 3.96Å; M310-F321 HydrophobicContact SD-CB 3.48Å; M310-F321 WeakPolarHBondContact SD-CB 3.27Å; M310-F321 HydrophobicContact SD-CD2 3.46Å; M310-F321 WeakPolarHBondContact SD-CD2 3.42Å; M310-F321 HydrophobicContact SD-CE2 4.4Å; M310-F321 HydrophobicContact SD-CG 3.67Å
311I85.4Confident85.4Confident61 Ų6152.1 Ų52.131%0.31327%0.269SS..EExtended strand (participates in β ladder)trans-124.2127-179.6-56.4175000107.9Q309 L313 I319 L320 L322Q309-I311 HydrophobicContact CG-CG1 4.45Å; I311-L313 HydrophobicContact CG2-CD2 4.49Å; I311-I319 CarbonylContact O-C 3.27Å; I311-I319 WeakPolarHBondContact O-CA 3.46Å; I311-L320 PolarHBondContact N-O 3.3Å; I311-L320 PolarHBondContact O-N 2.69Å; I311-L322 HydrophobicContact CD1-CD1 3.9Å
312Y86Confident87.2Confident82 Ų8250.4 Ų50.432%0.32226%0.26SS..EExtended strand (participates in β ladder)trans-85.6131.3177177.8-121.7000110F265 L269 P314 N318 I319F265-Y312 HydrophobicContact CZ-CD2 4.15Å; F265-Y312 AromaticContact CZ-CE2 3.81Å; F265-Y312 HydrophobicContact CZ-CE2 3.81Å; L269-Y312 HydrophobicContact CD2-CD1 4.35Å; L269-Y312 HydrophobicContact CD2-CD2 4.05Å; L269-Y312 HydrophobicContact CD2-CG 3.8Å; Y312-P314 HydrophobicContact CD1-CG 4.1Å; Y312-P314 HydrophobicContact CE1-CB 4.15Å; Y312-P314 HydrophobicContact CE1-CG 3.99Å; Y312-P314 WeakPolarHBondContact O-CD 3.13Å; Y312-N318 WeakPolarHBondContact CD2-O 3.46Å; Y312-I319 HydrophobicContact CD2-CG1 4.17Å
313L86.8Confident88.6Confident59 Ų5948.5 Ų48.531%0.30925%0.247SC..EExtended strand (participates in β ladder)trans-109.599.2178.4-61.3177.3000108.8M222 I311 E315 A316 E317 N318 L320M222-L313 HydrophobicContact SD-CD1 3.9Å; I311-L313 HydrophobicContact CG2-CD2 4.49Å; L313-E315 VanDerWaalsContact C-N 3.32Å; L313-E315 PolarHBondContact O-N 3.49Å; L313-A316 PolarHBondContact O-N 3.06Å; L313-E317 PolarHBondContact O-N 3.03Å; L313-E317 VanDerWaalsContact O-N 3.12Å; L313-N318 PolarHBondContact N-O 3.25Å; L313-N318 PolarHBondContact O-N 2.76Å; L313-L320 HydrophobicContact CD1-CB 3.98Å; L313-L320 HydrophobicContact CG-CB 4.34Å
314P79.1Confident89.3Confident91 Ų9149.8 Ų49.859%0.59126%0.256SS*.G310 helixtrans-62.4-36.3-172.8-23.233.5000113.4Y312 A316 E317Y312-P314 HydrophobicContact CD1-CG 4.1Å; Y312-P314 HydrophobicContact CE1-CB 4.15Å; Y312-P314 HydrophobicContact CE1-CG 3.99Å; Y312-P314 WeakPolarHBondContact O-CD 3.13Å; P314-A316 VanDerWaalsContact C-N 3.27Å; P314-A316 PolarHBondContact O-N 3.21Å; P314-E317 PolarHBondContact O-N 3.17Å
315E82.5Confident89.5Confident205 Ų20549.9 Ų49.996%0.95826%0.256SS*.G310 helixtrans-63.8-30.8-177-62.7-178.1179.500113.5L313L313-E315 VanDerWaalsContact C-N 3.32Å; L313-E315 PolarHBondContact O-N 3.49Å
316A82.5Confident89.4Confident54 Ų5448 Ų4845%0.44626%0.255SS..G310 helixtrans-108.5-0.7-177.300000113.1L313 P314 N318L313-A316 PolarHBondContact O-N 3.06Å; P314-A316 VanDerWaalsContact C-N 3.27Å; P314-A316 PolarHBondContact O-N 3.21Å; A316-N318 HydrophobicContact CB-CB 4.23Å; A316-N318 PolarHBondContact O-N 3.37Å; A316-N318 VanDerWaalsContact O-N 3.13Å; A316-N318 PolarHBondContact O-OD1 3.47Å
317E88Confident89Confident110 Ų11048.5 Ų48.551%0.51426%0.258SS..THydrogen-bonded Turntrans48.532-169.1-63.5-172.1171.900113.9L313 P314L313-E317 PolarHBondContact O-N 3.03Å; L313-E317 VanDerWaalsContact O-N 3.12Å; P314-E317 PolarHBondContact O-N 3.17Å
318N92Very high88.2Confident17 Ų1748.7 Ų48.79%0.09126%0.26CS..EExtended strand (participates in β ladder)trans-112156.5-176.2-73.6-18.7000111.7M222 F223 D224 T230 Y312 L313 A316M222-N318 HydrophobicContact CG-CB 3.85Å; M222-N318 HydrophobicContact SD-CB 4.26Å; F223-N318 CarbonylContact O-C 3.41Å; F223-N318 VanDerWaalsContact O-CA 3.29Å; F223-N318 WeakPolarHBondContact O-CA 3.47Å; F223-N318 WeakPolarHBondContact O-CB 3.18Å; D224-N318 VanDerWaalsContact CA-OD1 3.29Å; D224-N318 WeakPolarHBondContact CA-OD1 3.42Å; D224-N318 WeakPolarHBondContact CB-OD1 3.18Å; T230-N318 PolarHBondContact OG1-ND2 3.32Å; Y312-N318 WeakPolarHBondContact CD2-O 3.46Å; L313-N318 PolarHBondContact N-O 3.25Å; L313-N318 PolarHBondContact O-N 2.76Å; A316-N318 HydrophobicContact CB-CB 4.23Å; A316-N318 PolarHBondContact O-N 3.37Å; A316-N318 VanDerWaalsContact O-N 3.13Å; A316-N318 PolarHBondContact O-OD1 3.47Å
319I93.1Very high87.8Confident1 Ų149.3 Ų49.31%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-104.6127.6165.4-66.1169.7000108.4M222 F223 F265 I268 L269 M310 I311 Y312M222-I319 WeakPolarHBondContact CA-O 3.46Å; F223-I319 HydrophobicContact CD2-CB 4.27Å; F223-I319 HydrophobicContact CE1-CG2 4.29Å; F223-I319 HydrophobicContact CE2-CB 3.73Å; F223-I319 HydrophobicContact CE2-CD1 4.12Å; F223-I319 HydrophobicContact CE2-CG1 4.46Å; F223-I319 HydrophobicContact CE2-CG2 4.03Å; F223-I319 HydrophobicContact CZ-CB 3.87Å; F223-I319 HydrophobicContact CZ-CG2 3.67Å; F223-I319 PolarHBondContact N-O 3.03Å; F223-I319 PolarHBondContact O-N 2.83Å; F265-I319 HydrophobicContact CD2-CD1 3.44Å; F265-I319 VanDerWaalsContact CD2-CD1 3.44Å; F265-I319 HydrophobicContact CD2-CG1 4.12Å; F265-I319 HydrophobicContact CE2-CD1 3.38Å; F265-I319 HydrophobicContact CE2-CG1 3.56Å; F265-I319 HydrophobicContact CG-CD1 4.23Å; F265-I319 HydrophobicContact CZ-CD1 4.09Å; F265-I319 HydrophobicContact CZ-CG1 4.18Å; I268-I319 HydrophobicContact CB-CD1 4.19Å; I268-I319 HydrophobicContact CG2-CD1 3.89Å; I268-I319 HydrophobicContact CG2-CG2 4.47Å; L269-I319 HydrophobicContact CD2-CD1 4.49Å; L269-I319 HydrophobicContact CG-CD1 4.41Å; M310-I319 HydrophobicContact CB-CG2 3.92Å; M310-I319 HydrophobicContact CG-CG2 4.36Å; M310-I319 HydrophobicContact SD-CG2 3.68Å; I311-I319 CarbonylContact O-C 3.27Å; I311-I319 WeakPolarHBondContact O-CA 3.46Å; Y312-I319 HydrophobicContact CD2-CG1 4.17Å
320L94.6Very high87.7Confident15 Ų1547.5 Ų47.58%0.07925%0.254CS..EExtended strand (participates in β ladder)trans-96.2119.2170.2172.566.5000109.2F213 H220 L221 M310 I311 L313 L322F213-L320 HydrophobicContact CE1-CD1 4.23Å; F213-L320 HydrophobicContact CZ-CD1 4.3Å; F213-L320 HydrophobicContact CZ-CD2 3.98Å; H220-L320 HydrophobicContact CB-CD1 4.22Å; L221-L320 CarbonylContact O-C 3.56Å; M310-L320 CarbonylContact C-O 3.3Å; I311-L320 PolarHBondContact N-O 3.3Å; I311-L320 PolarHBondContact O-N 2.69Å; L313-L320 HydrophobicContact CD1-CB 3.98Å; L313-L320 HydrophobicContact CG-CB 4.34Å; L320-L322 HydrophobicContact CD1-CD2 4.36Å; L320-L322 HydrophobicContact CD2-CD1 4.22Å; L320-L322 HydrophobicContact CD2-CD2 4.24Å; L320-L322 HydrophobicContact CD2-CG 3.96Å; L320-L322 HydrophobicContact CG-CD2 4.39Å; L320-L322 HydrophobicContact CG-CG 4.05Å
321F96Very high87.4Confident0 Ų050.6 Ų50.60%027%0.27CS..EExtended strand (participates in β ladder)trans-95.9104.5169.1-173.9-136.9000109.8H220 L221 F223 F276 L278 L306 Q309 M310 C323H220-F321 WeakPolarHBondContact CA-O 3.46Å; H220-F321 WeakPolarHBondContact CB-O 3.08Å; L221-F321 HydrophobicContact CB-CB 4.22Å; L221-F321 HydrophobicContact CD1-CD1 4.17Å; L221-F321 PolarHBondContact N-O 2.74Å; L221-F321 PolarHBondContact O-N 2.85Å; F223-F321 HydrophobicContact CE1-CB 4.33Å; F276-F321 HydrophobicContact CB-CE2 3.79Å; F276-F321 HydrophobicContact CB-CZ 4.35Å; L278-F321 HydrophobicContact CB-CE1 4.34Å; L278-F321 HydrophobicContact CD1-CD1 3.74Å; L278-F321 HydrophobicContact CD1-CE1 3.53Å; L278-F321 HydrophobicContact CD1-CZ 4.27Å; L278-F321 HydrophobicContact CG-CD1 4.47Å; L278-F321 HydrophobicContact CG-CE1 3.81Å; L278-F321 HydrophobicContact CG-CZ 4.12Å; L306-F321 HydrophobicContact CB-CE1 3.97Å; L306-F321 HydrophobicContact CB-CZ 4.47Å; Q309-F321 WeakPolarHBondContact O-CA 3.24Å; Q309-F321 WeakPolarHBondContact O-CD2 3.39Å; M310-F321 HydrophobicContact CE-CB 3.88Å; M310-F321 HydrophobicContact CE-CD1 4.09Å; M310-F321 HydrophobicContact CE-CD2 3.39Å; M310-F321 HydrophobicContact CE-CE1 4.49Å; M310-F321 HydrophobicContact CE-CE2 3.88Å; M310-F321 HydrophobicContact CE-CG 3.52Å; M310-F321 HydrophobicContact CE-CZ 4.4Å; M310-F321 HydrophobicContact CG-CD2 3.96Å; M310-F321 HydrophobicContact SD-CB 3.48Å; M310-F321 WeakPolarHBondContact SD-CB 3.27Å; M310-F321 HydrophobicContact SD-CD2 3.46Å; M310-F321 WeakPolarHBondContact SD-CD2 3.42Å; M310-F321 HydrophobicContact SD-CE2 4.4Å; M310-F321 HydrophobicContact SD-CG 3.67Å; F321-C323 HydrophobicContact CD1-CB 3.91Å; F321-C323 VanDerWaalsContact CD1-SG 3.57Å; F321-C323 HydrophobicContact CD2-CB 4.39Å; F321-C323 HydrophobicContact CE1-CB 3.44Å; F321-C323 VanDerWaalsContact CE1-CB 3.44Å; F321-C323 WeakPolarHBondContact CE1-SG 3.48Å; F321-C323 HydrophobicContact CE2-CB 3.97Å; F321-C323 HydrophobicContact CG-CB 4.37Å; F321-C323 HydrophobicContact CZ-CB 3.48Å; F321-C323 VanDerWaalsContact CZ-CB 3.48Å
322L94.5Very high87.2Confident50 Ų5049.1 Ų49.126%0.26226%0.263SS..EExtended strand (participates in β ladder)trans-89.5119.3169.6-73.5176.1000108.5F213 F217 H220 G308 Q309 I311 L320F213-L322 HydrophobicContact CZ-CD2 4.04Å; F217-L322 HydrophobicContact CB-CD2 4.34Å; F217-L322 HydrophobicContact CD1-CD2 4.25Å; F217-L322 HydrophobicContact CG-CD2 4.16Å; H220-L322 HydrophobicContact CB-CD2 4.09Å; G308-L322 CarbonylContact C-O 3.51Å; G308-L322 WeakPolarHBondContact CA-O 3.29Å; Q309-L322 PolarHBondContact N-O 2.65Å; Q309-L322 PolarHBondContact O-N 3.42Å; I311-L322 HydrophobicContact CD1-CD1 3.9Å; L320-L322 HydrophobicContact CD1-CD2 4.36Å; L320-L322 HydrophobicContact CD2-CD1 4.22Å; L320-L322 HydrophobicContact CD2-CD2 4.24Å; L320-L322 HydrophobicContact CD2-CG 3.96Å; L320-L322 HydrophobicContact CG-CD2 4.39Å; L320-L322 HydrophobicContact CG-CG 4.05Å
323C94.1Very high87.2Confident11 Ų1145.4 Ų45.47%0.07425%0.249CC..EExtended strand (participates in β ladder)trans-144.4164.5-173.257.10000112.9F219 L306 K307 F321F219-C323 WeakPolarHBondContact CB-O 3.35Å; F219-C323 PolarHBondContact O-N 2.85Å; L306-C323 HydrophobicContact CB-CB 4.17Å; K307-C323 CarbonylContact O-C 3.59Å; K307-C323 VanDerWaalsContact O-CA 3.25Å; K307-C323 WeakPolarHBondContact O-CA 3.48Å; K307-C323 VanDerWaalsContact O-CB 3.32Å; K307-C323 WeakPolarHBondContact O-CB 3.36Å; F321-C323 HydrophobicContact CD1-CB 3.91Å; F321-C323 VanDerWaalsContact CD1-SG 3.57Å; F321-C323 HydrophobicContact CD2-CB 4.39Å; F321-C323 HydrophobicContact CE1-CB 3.44Å; F321-C323 VanDerWaalsContact CE1-CB 3.44Å; F321-C323 WeakPolarHBondContact CE1-SG 3.48Å; F321-C323 HydrophobicContact CE2-CB 3.97Å; F321-C323 HydrophobicContact CG-CB 4.37Å; F321-C323 HydrophobicContact CZ-CB 3.48Å; F321-C323 VanDerWaalsContact CZ-CB 3.48Å
324S93Very high87.2Confident29 Ų2947.5 Ų47.520%0.20326%0.264CS..EExtended strand (participates in β ladder)trans-127.7149171.2-55.20000109.2K307 D347K307-S324 PolarHBondContact N-O 3.03Å; K307-S324 PolarHBondContact O-N 3.03Å; S324-D347 WeakPolarHBondContact CB-OD2 3.49Å; S324-D347 VanDerWaalsContact OG-CG 3.32Å; S324-D347 PolarHBondContact OG-OD1 3.34Å; S324-D347 PolarHBondContact OG-OD2 3.28Å
325P92Very high87.3Confident2 Ų247.1 Ų47.11%0.01325%0.251CS..EExtended strand (participates in β ladder)trans-67.8135.7177.330-34.9000110.4F219 L304 R305 L306 V327 L338 I343F219-P325 HydrophobicContact CD1-CG 4.3Å; F219-P325 HydrophobicContact CD2-CG 4.39Å; F219-P325 HydrophobicContact CE1-CB 4.15Å; F219-P325 HydrophobicContact CE1-CG 3.89Å; F219-P325 HydrophobicContact CE2-CG 3.97Å; F219-P325 HydrophobicContact CZ-CB 4.41Å; F219-P325 HydrophobicContact CZ-CG 3.71Å; L304-P325 HydrophobicContact CD1-CB 4.17Å; R305-P325 WeakPolarHBondContact O-CA 3.29Å; L306-P325 HydrophobicContact CD2-CB 4.34Å; P325-V327 HydrophobicContact CB-CG1 4.35Å; P325-V327 HydrophobicContact CB-CG2 4.49Å; P325-V327 HydrophobicContact CG-CG2 4.26Å; P325-V327 PolarHBondContact O-N 3.12Å; P325-L338 HydrophobicContact CB-CD1 3.91Å; P325-L338 HydrophobicContact CG-CD1 4.24Å; P325-I343 HydrophobicContact CG-CD1 4.33Å; P325-I343 HydrophobicContact CG-CG1 4.44Å
326S87.1Confident87.4Confident35 Ų3539 Ų3925%0.24521%0.211CC..  trans-79.487.7173.1-52.10000109.5R305 R336R305-S326 PolarHBondContact O-N 3.12Å; S326-R336 PolarHBondContact O-NH1 3.48Å
327V84.9Confident87.5Confident9 Ų937.7 Ų37.76%0.05520%0.204CC..  trans-125136.2178.7-72.30000109.7P325 D332 L333 L338 I343 V353P325-V327 HydrophobicContact CB-CG1 4.35Å; P325-V327 HydrophobicContact CB-CG2 4.49Å; P325-V327 HydrophobicContact CG-CG2 4.26Å; P325-V327 PolarHBondContact O-N 3.12Å; V327-D332 HydrophobicContact CB-CB 4.27Å; V327-D332 HydrophobicContact CG1-CB 4.26Å; V327-L333 HydrophobicContact CB-CD2 4.27Å; V327-L333 HydrophobicContact CB-CG 4.45Å; V327-L333 HydrophobicContact CG1-CD2 4.09Å; V327-L333 HydrophobicContact CG2-CD2 3.91Å; V327-L333 HydrophobicContact CG2-CG 4.37Å; V327-L338 HydrophobicContact CG1-CD1 4.26Å; V327-I343 HydrophobicContact CG2-CD1 4.16Å; V327-V353 HydrophobicContact CB-CG2 4.37Å; V327-V353 HydrophobicContact CG2-CG2 3.65Å
328M75.8Confident87.6Confident74 Ų7432.8 Ų32.837%0.36518%0.181SC..  trans-104.2-27.3-174.3-60.4-57.2-147.600113.3T110 D332T110-M328 HydrophobicContact CG2-SD 4Å; M328-D332 PolarHBondContact N-OD2 2.72Å
329N80.3Confident87.5Confident27 Ų2738.9 Ų38.914%0.14420%0.204CC..SBendtrans-147.8176.5-174.560.655000111.7D331 D332 L333N329-D331 VanDerWaalsContact C-N 3.33Å; N329-D331 WeakPolarHBondContact OD1-CA 3.35Å; N329-D331 WeakPolarHBondContact OD1-CB 3.44Å; N329-D331 PolarHBondContact OD1-N 2.64Å; N329-D332 PolarHBondContact O-N 3.25Å; N329-D332 PolarHBondContact OD1-N 3.31Å; N329-D332 PolarHBondContact OD1-OD1 3.12Å; N329-L333 PolarHBondContact O-N 3.29Å
330L85.3Confident87.4Confident64 Ų6441.1 Ų41.134%0.33522%0.215SC..Hα-helixtrans-70.2-28.6-179.2-67173.1000113L333 T334 V353 E357L330-L333 HydrophobicContact CD2-CD1 4.26Å; L330-L333 PolarHBondContact O-N 2.9Å; L330-T334 PolarHBondContact O-N 3.47Å; L330-T334 PolarHBondContact O-OG1 3.41Å; L330-V353 HydrophobicContact CD2-CG1 3.77Å; L330-V353 HydrophobicContact CG-CG1 4.22Å; L330-E357 HydrophobicContact CD1-CG 4.32Å
331D83.3Confident87.2Confident66 Ų6645 Ų4535%0.35324%0.244SC..Hα-helixtrans-66.5-41.8176.1-61.8-33.5000110.6N329 L333 T334 R335 R360N329-D331 VanDerWaalsContact C-N 3.33Å; N329-D331 WeakPolarHBondContact OD1-CA 3.35Å; N329-D331 WeakPolarHBondContact OD1-CB 3.44Å; N329-D331 PolarHBondContact OD1-N 2.64Å; D331-L333 VanDerWaalsContact C-N 3.31Å; D331-L333 PolarHBondContact O-N 3.4Å; D331-T334 WeakPolarHBondContact O-CB 3.05Å; D331-T334 PolarHBondContact O-N 2.95Å; D331-T334 VanDerWaalsContact O-N 3.16Å; D331-R335 WeakPolarHBondContact O-CB 3.4Å; D331-R335 VanDerWaalsContact O-CG 3.27Å; D331-R335 WeakPolarHBondContact O-CG 3.31Å; D331-R335 PolarHBondContact O-N 3.37Å; D331-R360 IonicContact OD2-CZ 3.27Å; D331-R360 IonicContact OD2-NH1 3.86Å; D331-R360 PolarHBondContact OD2-NH1 2.71Å; D331-R360 IonicContact OD2-NH2 2.86Å
332D80.9Confident87Confident31 Ų3145.7 Ų45.717%0.16625%0.248CC..Hα-helixtrans-60.5-40.6177.8-72.1-11.5000111.7V327 M328 N329 R335 R336V327-D332 HydrophobicContact CB-CB 4.27Å; V327-D332 HydrophobicContact CG1-CB 4.26Å; M328-D332 PolarHBondContact N-OD2 2.72Å; N329-D332 PolarHBondContact O-N 3.25Å; N329-D332 PolarHBondContact OD1-N 3.31Å; N329-D332 PolarHBondContact OD1-OD1 3.12Å; D332-R335 PolarHBondContact O-N 3.17Å; D332-R336 WeakPolarHBondContact O-CB 3.4Å; D332-R336 WeakPolarHBondContact O-CG 3.46Å; D332-R336 PolarHBondContact O-N 3.26Å; D332-R336 VanDerWaalsContact O-N 3.11Å
333L86.4Confident86.8Confident4 Ų443.3 Ų43.32%0.02124%0.235CC..Hα-helixtrans-59.6-50.2174.4-77.4175.9000110.5V327 N329 L330 D331 R335 R336 G337 L338 L340 I343 V353V327-L333 HydrophobicContact CB-CD2 4.27Å; V327-L333 HydrophobicContact CB-CG 4.45Å; V327-L333 HydrophobicContact CG1-CD2 4.09Å; V327-L333 HydrophobicContact CG2-CD2 3.91Å; V327-L333 HydrophobicContact CG2-CG 4.37Å; N329-L333 PolarHBondContact O-N 3.29Å; L330-L333 HydrophobicContact CD2-CD1 4.26Å; L330-L333 PolarHBondContact O-N 2.9Å; D331-L333 VanDerWaalsContact C-N 3.31Å; D331-L333 PolarHBondContact O-N 3.4Å; L333-R335 PolarHBondContact O-N 3.39Å; L333-R336 CarbonylContact O-C 3.58Å; L333-R336 PolarHBondContact O-N 2.85Å; L333-R336 VanDerWaalsContact O-N 3.15Å; L333-G337 PolarHBondContact O-N 3.33Å; L333-G337 VanDerWaalsContact O-N 3.15Å; L333-L338 CarbonylContact C-O 3.6Å; L333-L338 HydrophobicContact CB-CB 4.36Å; L333-L338 HydrophobicContact CD2-CB 3.52Å; L333-L338 HydrophobicContact CD2-CD1 4.08Å; L333-L338 HydrophobicContact CD2-CG 4.45Å; L333-L338 PolarHBondContact O-N 3.42Å; L333-L340 HydrophobicContact CD1-CD1 4.24Å; L333-I343 HydrophobicContact CD2-CD1 4.01Å; L333-V353 HydrophobicContact CD1-CG1 3.89Å
334T84.8Confident86.7Confident103 Ų10343.8 Ų43.863%0.63224%0.238SC*.Hα-helixtrans-61.3-45.9-179.8-52.20000111.1L330 D331 R336 G337L330-T334 PolarHBondContact O-N 3.47Å; L330-T334 PolarHBondContact O-OG1 3.41Å; D331-T334 WeakPolarHBondContact O-CB 3.05Å; D331-T334 PolarHBondContact O-N 2.95Å; D331-T334 VanDerWaalsContact O-N 3.16Å; T334-R336 PolarHBondContact O-N 2.99Å; T334-G337 PolarHBondContact O-N 3.34Å; T334-G337 VanDerWaalsContact O-N 3.13Å
335R81.6Confident86.5Confident83 Ų8348.9 Ų48.931%0.31326%0.263SS..Hα-helixtrans-62.3-23.3177.9-71.9174.6-173.3-165.6-0.9113.2V287 D294 I301 D331 D332 L333V287-R335 WeakPolarHBondContact CG1-O 3.25Å; D294-R335 IonicContact OD2-CZ 2.68Å; D294-R335 IonicContact OD2-NH1 3.28Å; D294-R335 IonicContact OD2-NH2 3.43Å; D294-R335 PolarHBondContact OD2-NH2 3.34Å; I301-R335 HydrophobicContact CG2-CB 4.27Å; I301-R335 HydrophobicContact CG2-CG 4.46Å; D331-R335 WeakPolarHBondContact O-CB 3.4Å; D331-R335 VanDerWaalsContact O-CG 3.27Å; D331-R335 WeakPolarHBondContact O-CG 3.31Å; D331-R335 PolarHBondContact O-N 3.37Å; D332-R335 PolarHBondContact O-N 3.17Å; L333-R335 PolarHBondContact O-N 3.39Å
336R85Confident86.3Confident33 Ų3354.6 Ų54.613%0.12529%0.289CS..THydrogen-bonded Turntrans-103.26.1178.4-65-179.6-177.3-177.28.4113.8C303 S326 D332 L333 T334 L338C303-R336 PolarHBondContact O-NE 3.37Å; S326-R336 PolarHBondContact O-NH1 3.48Å; D332-R336 WeakPolarHBondContact O-CB 3.4Å; D332-R336 WeakPolarHBondContact O-CG 3.46Å; D332-R336 PolarHBondContact O-N 3.26Å; D332-R336 VanDerWaalsContact O-N 3.11Å; L333-R336 CarbonylContact O-C 3.58Å; L333-R336 PolarHBondContact O-N 2.85Å; L333-R336 VanDerWaalsContact O-N 3.15Å; T334-R336 PolarHBondContact O-N 2.99Å; R336-L338 HydrophobicContact CB-CD1 4.23Å; R336-L338 HydrophobicContact CB-CG 4.2Å; R336-L338 PolarHBondContact O-N 3.38Å
337G85.5Confident86.3Confident28 Ų2854.1 Ų54.129%0.28928%0.283SS..THydrogen-bonded Turntrans66.223.6-177.800000113.7L333 T334L333-G337 PolarHBondContact O-N 3.33Å; L333-G337 VanDerWaalsContact O-N 3.15Å; T334-G337 PolarHBondContact O-N 3.34Å; T334-G337 VanDerWaalsContact O-N 3.13Å
338L89.6Confident86.3Confident6 Ų656.8 Ų56.83%0.03131%0.306CS..  trans-97148.6176.9-65.3176.9000110.4F219 V239 L304 P325 V327 L333 R336F219-L338 HydrophobicContact CE1-CD2 3.94Å; F219-L338 HydrophobicContact CZ-CD1 4.48Å; F219-L338 HydrophobicContact CZ-CD2 3.84Å; V239-L338 HydrophobicContact CB-CD2 4.5Å; V239-L338 HydrophobicContact CG2-CD2 3.45Å; V239-L338 VanDerWaalsContact CG2-CD2 3.45Å; V239-L338 HydrophobicContact CG2-CG 4.46Å; L304-L338 HydrophobicContact CD1-CD1 3.95Å; P325-L338 HydrophobicContact CB-CD1 3.91Å; P325-L338 HydrophobicContact CG-CD1 4.24Å; V327-L338 HydrophobicContact CG1-CD1 4.26Å; L333-L338 CarbonylContact C-O 3.6Å; L333-L338 HydrophobicContact CB-CB 4.36Å; L333-L338 HydrophobicContact CD2-CB 3.52Å; L333-L338 HydrophobicContact CD2-CD1 4.08Å; L333-L338 HydrophobicContact CD2-CG 4.45Å; L333-L338 PolarHBondContact O-N 3.42Å; R336-L338 HydrophobicContact CB-CD1 4.23Å; R336-L338 HydrophobicContact CB-CG 4.2Å; R336-L338 PolarHBondContact O-N 3.38Å
339Y90.1Very high86.8Confident145 Ų14554.4 Ų54.457%0.56930%0.296SS*.  trans-114.1151.6173.6-57.6-87.6000109.8S341 D342Y339-S341 WeakPolarHBondContact CB-OG 3.49Å; Y339-S341 PolarHBondContact O-N 2.94Å; Y339-S341 VanDerWaalsContact O-N 3.11Å; Y339-D342 WeakPolarHBondContact CA-OD2 3.08Å; Y339-D342 WeakPolarHBondContact CB-OD2 3.27Å; Y339-D342 PolarHBondContact N-OD2 2.93Å; Y339-D342 VanDerWaalsContact O-CB 3.31Å; Y339-D342 WeakPolarHBondContact O-CB 3.46Å; Y339-D342 PolarHBondContact O-N 3.11Å
340L89.8Confident87.2Confident48 Ų4856 Ų5625%0.25130%0.3SS..G310 helixtrans-59.5-25173.9-168.566.1000112.6L333 D342 I343 R350 V353 L354L333-L340 HydrophobicContact CD1-CD1 4.24Å; L340-D342 PolarHBondContact O-N 3.42Å; L340-I343 PolarHBondContact O-N 3.46Å; L340-R350 HydrophobicContact CD1-CG 3.99Å; L340-R350 PolarHBondContact O-NH1 3.41Å; L340-V353 HydrophobicContact CD1-CG1 4.5Å; L340-L354 HydrophobicContact CD2-CD2 4.13Å
341S90.9Very high87.2Confident98 Ų9857.4 Ų57.469%0.68531%0.308SS*.G310 helixtrans-69.2-17.817555.50000114Y339Y339-S341 WeakPolarHBondContact CB-OG 3.49Å; Y339-S341 PolarHBondContact O-N 2.94Å; Y339-S341 VanDerWaalsContact O-N 3.11Å
342D91.2Very high87.1Confident13 Ų1358.3 Ų58.37%0.0731%0.312CS..G310 helixtrans-81.2-21.8178.1-57.5-48.6000112.6P218 F219 A235 R238 Y339 L340 P344P218-D342 WeakPolarHBondContact CB-O 3.18Å; P218-D342 WeakPolarHBondContact CG-O 3.45Å; F219-D342 HydrophobicContact CE2-CB 4.14Å; F219-D342 WeakPolarHBondContact CE2-O 3.38Å; F219-D342 HydrophobicContact CZ-CB 4.17Å; A235-D342 HydrophobicContact CB-CB 3.81Å; R238-D342 IonicContact CZ-OD1 3.72Å; R238-D342 IonicContact CZ-OD2 2.91Å; R238-D342 IonicContact NH1-OD1 3.17Å; R238-D342 PolarHBondContact NH1-OD1 2.86Å; R238-D342 IonicContact NH1-OD2 3.55Å; R238-D342 IonicContact NH2-OD1 3.78Å; R238-D342 PolarHBondContact NH2-OD1 3.44Å; R238-D342 IonicContact NH2-OD2 2.69Å; R238-D342 PolarHBondContact NH2-OD2 2.8Å; Y339-D342 WeakPolarHBondContact CA-OD2 3.08Å; Y339-D342 WeakPolarHBondContact CB-OD2 3.27Å; Y339-D342 PolarHBondContact N-OD2 2.93Å; Y339-D342 VanDerWaalsContact O-CB 3.31Å; Y339-D342 WeakPolarHBondContact O-CB 3.46Å; Y339-D342 PolarHBondContact O-N 3.11Å; L340-D342 PolarHBondContact O-N 3.42Å; D342-P344 WeakPolarHBondContact O-CD 3.39Å
343I91.7Very high87.3Confident1 Ų156.8 Ų56.81%0.00530%0.304CS..SBendtrans-88.5115175.8-54.5179.8000108F219 P325 V327 L333 L340 D347 T349 R350F219-I343 HydrophobicContact CE2-CG1 4.24Å; P325-I343 HydrophobicContact CG-CD1 4.33Å; P325-I343 HydrophobicContact CG-CG1 4.44Å; V327-I343 HydrophobicContact CG2-CD1 4.16Å; L333-I343 HydrophobicContact CD2-CD1 4.01Å; L340-I343 PolarHBondContact O-N 3.46Å; I343-D347 HydrophobicContact CG2-CB 3.88Å; I343-T349 WeakPolarHBondContact CG2-OG1 3.24Å; I343-R350 HydrophobicContact CB-CB 4.38Å; I343-R350 HydrophobicContact CG2-CB 3.72Å; I343-R350 PolarHBondContact O-NH1 3.02Å; I343-R350 VanDerWaalsContact O-NH1 3.12Å
344P90.7Very high87.2Confident20 Ų2060.4 Ų60.413%0.1332%0.323CS..  trans-59.5156-179.4-22.433.3000112.8A216 P218 D342 H346 D347A216-P344 WeakPolarHBondContact O-CG 3.47Å; P218-P344 HydrophobicContact CG-CG 3.94Å; D342-P344 WeakPolarHBondContact O-CD 3.39Å; P344-H346 WeakPolarHBondContact CB-CE1 3.48Å; P344-H346 PolarHBondContact O-N 3.47Å; P344-D347 HydrophobicContact CB-CB 4.32Å; P344-D347 HydrophobicContact CG-CB 4.44Å; P344-D347 WeakPolarHBondContact O-CB 3.33Å; P344-D347 PolarHBondContact O-N 3.2Å; P344-D347 VanDerWaalsContact O-N 3.11Å
345L88.9Confident87Confident137 Ų13759 Ų5972%0.71731%0.311SS*.THydrogen-bonded Turntrans-65.7-23.2177.5-69.1170.5000113.9D347L345-D347 VanDerWaalsContact C-N 3.33Å
346H88.9Confident86.8Confident122 Ų12255.3 Ų55.357%0.56530%0.299SS*.THydrogen-bonded Turntrans-88.5-5.9177.360.8-97.8000112.6A216 F217 P344A216-H346 PolarHBondContact O-CE1 2.8Å; A216-H346 PolarHBondContact O-NE2 2.62Å; F217-H346 AromaticContact CD1-NE2 3.96Å; F217-H346 AromaticContact CE1-NE2 3.68Å; P344-H346 WeakPolarHBondContact CB-CE1 3.48Å; P344-H346 PolarHBondContact O-N 3.47Å
347D86.5Confident86.5Confident25 Ų2556.3 Ų56.313%0.13431%0.305CS..  trans-88119.8177.5-172.5-27.7000108.9S324 I343 P344 L345 T349 R350S324-D347 WeakPolarHBondContact CB-OD2 3.49Å; S324-D347 VanDerWaalsContact OG-CG 3.32Å; S324-D347 PolarHBondContact OG-OD1 3.34Å; S324-D347 PolarHBondContact OG-OD2 3.28Å; I343-D347 HydrophobicContact CG2-CB 3.88Å; P344-D347 HydrophobicContact CB-CB 4.32Å; P344-D347 HydrophobicContact CG-CB 4.44Å; P344-D347 WeakPolarHBondContact O-CB 3.33Å; P344-D347 PolarHBondContact O-N 3.2Å; P344-D347 VanDerWaalsContact O-N 3.11Å; L345-D347 VanDerWaalsContact C-N 3.33Å; D347-T349 PolarHBondContact O-N 2.73Å; D347-T349 VanDerWaalsContact O-N 3.15Å; D347-T349 WeakPolarHBondContact OD1-CB 3.46Å; D347-T349 WeakPolarHBondContact OD1-CG2 3.36Å; D347-T349 PolarHBondContact OD1-N 3.44Å; D347-T349 PolarHBondContact OD1-OG1 2.79Å; D347-T349 PolarHBondContact OD2-OG1 2.82Å; D347-R350 WeakPolarHBondContact O-CB 3.47Å; D347-R350 PolarHBondContact O-N 2.69Å; D347-R350 VanDerWaalsContact O-N 3.11Å
348A85Confident86.3Confident65 Ų6560.8 Ų60.854%0.53732%0.319SS..Hα-helixtrans-60.7-22.8-179.100000113.1R350 D351 L352A348-R350 PolarHBondContact O-N 3.33Å; A348-D351 PolarHBondContact O-N 3.15Å; A348-L352 WeakPolarHBondContact O-CG 3.15Å; A348-L352 PolarHBondContact O-N 3.29Å
349T86.7Confident85.8Confident23 Ų2363.4 Ų63.414%0.14133%0.33CS..Hα-helixtrans-60-27.117656.20000112.7I343 D347 L352 V353I343-T349 WeakPolarHBondContact CG2-OG1 3.24Å; D347-T349 PolarHBondContact O-N 2.73Å; D347-T349 VanDerWaalsContact O-N 3.15Å; D347-T349 WeakPolarHBondContact OD1-CB 3.46Å; D347-T349 WeakPolarHBondContact OD1-CG2 3.36Å; D347-T349 PolarHBondContact OD1-N 3.44Å; D347-T349 PolarHBondContact OD1-OG1 2.79Å; D347-T349 PolarHBondContact OD2-OG1 2.82Å; T349-L352 PolarHBondContact O-N 3.15Å; T349-V353 VanDerWaalsContact O-CG2 3.29Å; T349-V353 WeakPolarHBondContact O-CG2 3.49Å; T349-V353 PolarHBondContact O-N 3.11Å
350R88.6Confident85.2Confident60 Ų6059.9 Ų59.923%0.22632%0.316CS..Hα-helixtrans-64-48.2176.2-172.1-177.7178.2114.7-1111.8L340 I343 D347 A348 L352 V353 L354L340-R350 HydrophobicContact CD1-CG 3.99Å; L340-R350 PolarHBondContact O-NH1 3.41Å; I343-R350 HydrophobicContact CB-CB 4.38Å; I343-R350 HydrophobicContact CG2-CB 3.72Å; I343-R350 PolarHBondContact O-NH1 3.02Å; I343-R350 VanDerWaalsContact O-NH1 3.12Å; D347-R350 WeakPolarHBondContact O-CB 3.47Å; D347-R350 PolarHBondContact O-N 2.69Å; D347-R350 VanDerWaalsContact O-N 3.11Å; A348-R350 PolarHBondContact O-N 3.33Å; R350-L352 VanDerWaalsContact C-N 3.34Å; R350-V353 PolarHBondContact O-N 3.34Å; R350-L354 WeakPolarHBondContact O-CG 3.49Å; R350-L354 PolarHBondContact O-N 3.16Å
351D84.8Confident84.7Confident95 Ų9562 Ų6251%0.50832%0.324SS..Hα-helixtrans-68.9-38179.2-67.1-25.7000110.3A348 V353 L354 L355A348-D351 PolarHBondContact O-N 3.15Å; D351-V353 PolarHBondContact O-N 3.13Å; D351-L354 PolarHBondContact O-N 3.47Å; D351-L355 WeakPolarHBondContact O-CB 3.29Å; D351-L355 VanDerWaalsContact O-CG 3.27Å; D351-L355 WeakPolarHBondContact O-CG 3.36Å; D351-L355 PolarHBondContact O-N 3.5Å
352L81.1Confident84.1Confident84 Ų8462.3 Ų62.344%0.4432%0.315SS..Hα-helixtrans-59.6-43.4174.8-71.5172.6000112.6A348 T349 R350 L354 L355 G356A348-L352 WeakPolarHBondContact O-CG 3.15Å; A348-L352 PolarHBondContact O-N 3.29Å; T349-L352 PolarHBondContact O-N 3.15Å; R350-L352 VanDerWaalsContact C-N 3.34Å; L352-L354 PolarHBondContact O-N 2.88Å; L352-L355 PolarHBondContact O-N 3.15Å; L352-G356 PolarHBondContact O-N 2.99Å
353V84.8Confident83.5Confident0 Ų062.5 Ų62.50%032%0.315CS..Hα-helixtrans-63.3-41.9177.3168.60000111.4V327 L330 L333 L340 T349 R350 D351 G356 E357V327-V353 HydrophobicContact CB-CG2 4.37Å; V327-V353 HydrophobicContact CG2-CG2 3.65Å; L330-V353 HydrophobicContact CD2-CG1 3.77Å; L330-V353 HydrophobicContact CG-CG1 4.22Å; L333-V353 HydrophobicContact CD1-CG1 3.89Å; L340-V353 HydrophobicContact CD1-CG1 4.5Å; T349-V353 VanDerWaalsContact O-CG2 3.29Å; T349-V353 WeakPolarHBondContact O-CG2 3.49Å; T349-V353 PolarHBondContact O-N 3.11Å; R350-V353 PolarHBondContact O-N 3.34Å; D351-V353 PolarHBondContact O-N 3.13Å; V353-G356 PolarHBondContact O-N 3.13Å; V353-E357 PolarHBondContact O-N 3.03Å
354L84.8Confident82.9Confident79 Ų7966.5 Ų66.541%0.41433%0.332SS..Hα-helixtrans-69.4-42.2179.4-67.9174.9000112L340 R350 D351 L352 G356 E357 Q358L340-L354 HydrophobicContact CD2-CD2 4.13Å; R350-L354 WeakPolarHBondContact O-CG 3.49Å; R350-L354 PolarHBondContact O-N 3.16Å; D351-L354 PolarHBondContact O-N 3.47Å; L352-L354 PolarHBondContact O-N 2.88Å; L354-G356 VanDerWaalsContact C-N 3.32Å; L354-E357 PolarHBondContact O-N 3.47Å; L354-Q358 PolarHBondContact O-N 3.48Å
355L81.4Confident82.6Confident74 Ų7470.9 Ų70.939%0.38735%0.354SS..Hα-helixtrans-66-36.4174.8-72172.1000111.5D351 L352 E357 Q358 F359D351-L355 WeakPolarHBondContact O-CB 3.29Å; D351-L355 VanDerWaalsContact O-CG 3.27Å; D351-L355 WeakPolarHBondContact O-CG 3.36Å; D351-L355 PolarHBondContact O-N 3.5Å; L352-L355 PolarHBondContact O-N 3.15Å; L355-E357 VanDerWaalsContact C-N 3.26Å; L355-E357 PolarHBondContact O-N 3.33Å; L355-Q358 PolarHBondContact O-N 2.98Å; L355-Q358 VanDerWaalsContact O-N 3.17Å; L355-F359 HydrophobicContact CB-CD2 4.17Å; L355-F359 HydrophobicContact CB-CE2 3.89Å; L355-F359 WeakPolarHBondContact O-CD2 3.27Å; L355-F359 WeakPolarHBondContact O-CG 3.43Å; L355-F359 PolarHBondContact O-N 3.3Å
356G77.6Confident82Confident6 Ų666.6 Ų66.66%0.06233%0.334CS..Hα-helixtrans-56.3-40.317500000112.4L352 V353 L354 R360L352-G356 PolarHBondContact O-N 2.99Å; V353-G356 PolarHBondContact O-N 3.13Å; L354-G356 VanDerWaalsContact C-N 3.32Å; G356-R360 VanDerWaalsContact O-CB 3.29Å; G356-R360 WeakPolarHBondContact O-CB 3.48Å; G356-R360 PolarHBondContact O-N 3.05Å
357E78.5Confident81.5Confident54 Ų5463.5 Ų63.525%0.25232%0.319SS..Hα-helixtrans-65.8-44.8175.9-163.263.6-158.200111.9L330 V353 L354 L355 R360 E361L330-E357 HydrophobicContact CD1-CG 4.32Å; V353-E357 PolarHBondContact O-N 3.03Å; L354-E357 PolarHBondContact O-N 3.47Å; L355-E357 VanDerWaalsContact C-N 3.26Å; L355-E357 PolarHBondContact O-N 3.33Å; E357-R360 PolarHBondContact O-N 2.97Å; E357-E361 PolarHBondContact O-N 2.94Å; E357-E361 VanDerWaalsContact O-N 3.13Å
358Q81Confident81.2Confident121 Ų12168.6 Ų68.657%0.56534%0.342SS*.Hα-helixtrans-61.3-47.6176.5-178-178.3-20.500111.5L354 L355 R360 E361 E362L354-Q358 PolarHBondContact O-N 3.48Å; L355-Q358 PolarHBondContact O-N 2.98Å; L355-Q358 VanDerWaalsContact O-N 3.17Å; Q358-R360 VanDerWaalsContact C-N 3.29Å; Q358-R360 PolarHBondContact O-N 3.31Å; Q358-E361 PolarHBondContact O-N 3.39Å; Q358-E362 WeakPolarHBondContact O-CB 3.43Å; Q358-E362 PolarHBondContact O-N 3.13Å
359F78.8Confident81Confident62 Ų6270.7 Ų70.727%0.27234%0.344SS..Hα-helixtrans-63.7-35.6178.3-71.3-50.1000112L355 E362 Y363L355-F359 HydrophobicContact CB-CD2 4.17Å; L355-F359 HydrophobicContact CB-CE2 3.89Å; L355-F359 WeakPolarHBondContact O-CD2 3.27Å; L355-F359 WeakPolarHBondContact O-CG 3.43Å; L355-F359 PolarHBondContact O-N 3.3Å; F359-E362 PolarHBondContact O-N 3.28Å; F359-Y363 WeakPolarHBondContact O-CB 3.33Å; F359-Y363 PolarHBondContact O-N 2.96Å
360R77.4Confident80.7Confident70 Ų7071.6 Ų71.626%0.26435%0.347SS..Hα-helixtrans-63.9-43.2176.8-170.3179.1-172.8-176.80.7111.8D331 G356 E357 Q358 Y363 K364D331-R360 IonicContact OD2-CZ 3.27Å; D331-R360 IonicContact OD2-NH1 3.86Å; D331-R360 PolarHBondContact OD2-NH1 2.71Å; D331-R360 IonicContact OD2-NH2 2.86Å; G356-R360 VanDerWaalsContact O-CB 3.29Å; G356-R360 WeakPolarHBondContact O-CB 3.48Å; G356-R360 PolarHBondContact O-N 3.05Å; E357-R360 PolarHBondContact O-N 2.97Å; Q358-R360 VanDerWaalsContact C-N 3.29Å; Q358-R360 PolarHBondContact O-N 3.31Å; R360-Y363 WeakPolarHBondContact O-CB 3.42Å; R360-Y363 PolarHBondContact O-N 3.5Å; R360-K364 WeakPolarHBondContact O-CG 3.35Å; R360-K364 PolarHBondContact O-N 2.95Å
361E78.7Confident80.3Confident94 Ų9471.2 Ų71.244%0.43935%0.349SS..Hα-helixtrans-69.1-42.9177-69.5-56.5119.400112E357 Q358 Y363 K364 L365E357-E361 PolarHBondContact O-N 2.94Å; E357-E361 VanDerWaalsContact O-N 3.13Å; Q358-E361 PolarHBondContact O-N 3.39Å; E361-Y363 VanDerWaalsContact C-N 3.27Å; E361-Y363 PolarHBondContact O-N 3.43Å; E361-K364 PolarHBondContact O-N 3.04Å; E361-K364 IonicContact OE1-NZ 2.75Å; E361-K364 PolarHBondContact OE1-NZ 3.43Å; E361-L365 WeakPolarHBondContact O-CB 3.46Å; E361-L365 PolarHBondContact O-N 3.39Å
362E79.9Confident80.2Confident104 Ų10472.4 Ų72.449%0.48635%0.354SS..Hα-helixtrans-60.6-39.7173.8-172.6177.3177.300111.5Q358 F359 T366Q358-E362 WeakPolarHBondContact O-CB 3.43Å; Q358-E362 PolarHBondContact O-N 3.13Å; F359-E362 PolarHBondContact O-N 3.28Å; E362-T366 WeakPolarHBondContact O-CB 3.34Å; E362-T366 PolarHBondContact O-N 3.29Å; E362-T366 PolarHBondContact O-OG1 2.94Å
363Y77.8Confident80Confident16 Ų1671.2 Ų71.26%0.06335%0.35CS..Hα-helixtrans-61.4-50.7175.4-177.9-83.3000111.7Y2 R40 I111 Y112 P113 F359 R360 E361 L365 T366 Q367Y2-Y363 WeakPolarHBondContact CE1-OH 2.91Å; R40-Y363 HydrophobicContact CB-CE2 4.12Å; R40-Y363 HydrophobicContact CG-CE2 4.04Å; R40-Y363 PolarHBondContact O-OH 2.77Å; I111-Y363 WeakPolarHBondContact O-CD2 3.38Å; Y112-Y363 HydrophobicContact CD1-CE2 4.25Å; P113-Y363 HydrophobicContact CG-CD1 4.27Å; P113-Y363 HydrophobicContact CG-CG 4.34Å; F359-Y363 WeakPolarHBondContact O-CB 3.33Å; F359-Y363 PolarHBondContact O-N 2.96Å; R360-Y363 WeakPolarHBondContact O-CB 3.42Å; R360-Y363 PolarHBondContact O-N 3.5Å; E361-Y363 VanDerWaalsContact C-N 3.27Å; E361-Y363 PolarHBondContact O-N 3.43Å; Y363-L365 VanDerWaalsContact C-N 3.35Å; Y363-L365 PolarHBondContact O-N 3.36Å; Y363-T366 PolarHBondContact O-N 3.01Å; Y363-Q367 HydrophobicContact CE1-CB 4.45Å; Y363-Q367 WeakPolarHBondContact O-CB 3.45Å; Y363-Q367 PolarHBondContact O-N 3.31Å
364K80.1Confident79.5Confident85 Ų8573.5 Ų73.537%0.3736%0.363SS..Hα-helixtrans-57.3-48.6178.1-74.1172.8-172.7166.40111R360 E361 T366 Q367 E368R360-K364 WeakPolarHBondContact O-CG 3.35Å; R360-K364 PolarHBondContact O-N 2.95Å; E361-K364 PolarHBondContact O-N 3.04Å; E361-K364 IonicContact OE1-NZ 2.75Å; E361-K364 PolarHBondContact OE1-NZ 3.43Å; K364-T366 VanDerWaalsContact C-N 3.34Å; K364-T366 PolarHBondContact O-N 3.46Å; K364-Q367 PolarHBondContact O-N 2.9Å; K364-E368 WeakPolarHBondContact O-CG 3.46Å; K364-E368 PolarHBondContact O-N 3.43Å
365L83.5Confident79.4Confident113 Ų11378 Ų7859%0.59237%0.374SS*.Hα-helixtrans-60.4-44.8179.5-17667.4000111.6E361 Y363 E368 L369E361-L365 WeakPolarHBondContact O-CB 3.46Å; E361-L365 PolarHBondContact O-N 3.39Å; Y363-L365 VanDerWaalsContact C-N 3.35Å; Y363-L365 PolarHBondContact O-N 3.36Å; L365-E368 PolarHBondContact O-N 3.28Å; L365-L369 WeakPolarHBondContact O-CB 3.45Å; L365-L369 PolarHBondContact O-N 3.46Å
366T76.9Confident79.3Confident47 Ų4779 Ų7929%0.28838%0.379SS..Hα-helixtrans-66.7-40.2-179.8-52.80000111.6R40 E362 Y363 K364 L369 E370R40-T366 VanDerWaalsContact NE-CG2 3.32Å; E362-T366 WeakPolarHBondContact O-CB 3.34Å; E362-T366 PolarHBondContact O-N 3.29Å; E362-T366 PolarHBondContact O-OG1 2.94Å; Y363-T366 PolarHBondContact O-N 3.01Å; K364-T366 VanDerWaalsContact C-N 3.34Å; K364-T366 PolarHBondContact O-N 3.46Å; T366-L369 PolarHBondContact O-N 3Å; T366-E370 WeakPolarHBondContact O-CB 3.32Å; T366-E370 PolarHBondContact O-N 3.47Å
367Q77Confident79.2Confident56 Ų5683.2 Ų83.226%0.26240%0.397SS..Hα-helixtrans-64-45.5176.6-174.3-176.517.600111.7R40 Y363 K364 L369 E370 I371R40-Q367 HydrophobicContact CB-CB 4.34Å; R40-Q367 HydrophobicContact CB-CG 4.35Å; R40-Q367 PolarHBondContact O-NE2 2.86Å; Y363-Q367 HydrophobicContact CE1-CB 4.45Å; Y363-Q367 WeakPolarHBondContact O-CB 3.45Å; Y363-Q367 PolarHBondContact O-N 3.31Å; K364-Q367 PolarHBondContact O-N 2.9Å; Q367-L369 VanDerWaalsContact C-N 3.29Å; Q367-L369 PolarHBondContact O-N 2.71Å; Q367-E370 PolarHBondContact O-N 3.34Å; Q367-I371 HydrophobicContact CG-CD1 4.17Å; Q367-I371 WeakPolarHBondContact O-CG1 3.44Å; Q367-I371 PolarHBondContact O-N 2.99Å
368E81Confident79.2Confident132 Ų13283.2 Ų83.262%0.61740%0.397SS*.Hα-helixtrans-60.4-41.1175.5-75.3-176.5-179.900111.7K364 L365 I371 L372K364-E368 WeakPolarHBondContact O-CG 3.46Å; K364-E368 PolarHBondContact O-N 3.43Å; L365-E368 PolarHBondContact O-N 3.28Å; E368-I371 PolarHBondContact O-N 3.05Å; E368-L372 VanDerWaalsContact O-CB 3.25Å; E368-L372 WeakPolarHBondContact O-CB 3.37Å; E368-L372 PolarHBondContact O-N 2.81Å
369L81.4Confident79.2Confident109 Ų10981.8 Ų81.857%0.57140%0.397SS*.Hα-helixtrans-65.2-39.3178.3-166.8142.5000111.9L365 T366 Q367 L372 T373L365-L369 WeakPolarHBondContact O-CB 3.45Å; L365-L369 PolarHBondContact O-N 3.46Å; T366-L369 PolarHBondContact O-N 3Å; Q367-L369 VanDerWaalsContact C-N 3.29Å; Q367-L369 PolarHBondContact O-N 2.71Å; L369-L372 PolarHBondContact O-N 2.99Å; L369-T373 WeakPolarHBondContact O-CB 3.37Å; L369-T373 PolarHBondContact O-N 3.21Å; L369-T373 PolarHBondContact O-OG1 2.95Å
370E80Confident79.2Confident43 Ų4383 Ų8320%0.20141%0.406CS..Hα-helixtrans-62.6-50.1174.8-175.7172.8-160.600111.2L38 V39 R40 T366 Q367 L372 T373 D374L38-E370 VanDerWaalsContact CA-OE1 3.24Å; L38-E370 WeakPolarHBondContact CA-OE1 3.48Å; L38-E370 HydrophobicContact CB-CG 4.28Å; L38-E370 WeakPolarHBondContact CB-OE1 3.38Å; L38-E370 HydrophobicContact CD1-CG 4.39Å; L38-E370 HydrophobicContact CD2-CG 3.81Å; L38-E370 HydrophobicContact CG-CG 4.37Å; V39-E370 PolarHBondContact N-OE1 3.28Å; R40-E370 PolarHBondContact N-OE2 2.87Å; T366-E370 WeakPolarHBondContact O-CB 3.32Å; T366-E370 PolarHBondContact O-N 3.47Å; Q367-E370 PolarHBondContact O-N 3.34Å; E370-L372 VanDerWaalsContact C-N 3.34Å; E370-L372 PolarHBondContact O-N 2.81Å; E370-T373 PolarHBondContact O-N 3.21Å; E370-D374 PolarHBondContact O-N 3.27Å
371I80Confident79.3Confident52 Ų5286.3 Ų86.327%0.26742%0.418SS..Hα-helixtrans-61.1-41.8177.6-66.3166.9000111.5I41 Q367 E368 R375I41-I371 HydrophobicContact CD1-CD1 4.45Å; I41-I371 HydrophobicContact CD1-CG1 4.19Å; Q367-I371 HydrophobicContact CG-CD1 4.17Å; Q367-I371 WeakPolarHBondContact O-CG1 3.44Å; Q367-I371 PolarHBondContact O-N 2.99Å; E368-I371 PolarHBondContact O-N 3.05Å; I371-R375 WeakPolarHBondContact O-CG 3.43Å; I371-R375 PolarHBondContact O-N 3.18Å; I371-R375 VanDerWaalsContact O-N 3.09Å
372L82.8Confident79.6Confident119 Ų11984.9 Ų84.962%0.62342%0.423SS*.Hα-helixtrans-69-37.6-179.1-170.8136.8000111.7E368 L369 E370 L376E368-L372 VanDerWaalsContact O-CB 3.25Å; E368-L372 WeakPolarHBondContact O-CB 3.37Å; E368-L372 PolarHBondContact O-N 2.81Å; L369-L372 PolarHBondContact O-N 2.99Å; E370-L372 VanDerWaalsContact C-N 3.34Å; E370-L372 PolarHBondContact O-N 2.81Å; L372-L376 WeakPolarHBondContact O-CB 3.5Å; L372-L376 PolarHBondContact O-N 3.2Å
373T76.2Confident80Confident59 Ų5985.3 Ų85.336%0.36243%0.428SS..Hα-helixtrans-64.5-44.3176.4-59.40000111.2L369 E370 L376 Q377L369-T373 WeakPolarHBondContact O-CB 3.37Å; L369-T373 PolarHBondContact O-N 3.21Å; L369-T373 PolarHBondContact O-OG1 2.95Å; E370-T373 PolarHBondContact O-N 3.21Å; T373-L376 WeakPolarHBondContact O-CB 3.48Å; T373-L376 PolarHBondContact O-N 2.89Å; T373-Q377 WeakPolarHBondContact O-CG 3.43Å; T373-Q377 PolarHBondContact O-N 3.05Å
374D75.3Confident80.2Confident48 Ų4889.9 Ų89.926%0.25745%0.45SS..Hα-helixtrans-59.8-50.7176.1179.470.9000111.8E370 L376 Q377 H378E370-D374 PolarHBondContact O-N 3.27Å; D374-L376 VanDerWaalsContact C-N 3.26Å; D374-L376 PolarHBondContact O-N 3.46Å; D374-Q377 WeakPolarHBondContact O-CB 3.3Å; D374-Q377 PolarHBondContact O-N 3Å; D374-H378 PolarHBondContact O-CD2 2.95Å; D374-H378 PolarHBondContact O-N 3.28Å; D374-H378 IonicContact OD1-CD2 3.39Å; D374-H378 IonicContact OD1-NE2 2.76Å; D374-H378 IonicContact OD2-CD2 2.87Å; D374-H378 IonicContact OD2-NE2 3.48Å
375R81.5Confident80.4Confident173 Ų17389.6 Ų89.665%0.65345%0.452SS*.Hα-helixtrans-57.8-38.3175.1-73.6179.4179.1179.32.1112.9I371 H378 T379I371-R375 WeakPolarHBondContact O-CG 3.43Å; I371-R375 PolarHBondContact O-N 3.18Å; I371-R375 VanDerWaalsContact O-N 3.09Å; R375-H378 PolarHBondContact O-N 3.26Å; R375-T379 WeakPolarHBondContact O-CB 3.44Å; R375-T379 PolarHBondContact O-N 2.91Å; R375-T379 PolarHBondContact O-OG1 3.22Å
376L80.6Confident80.6Confident95 Ų9588.9 Ų88.950%0.49745%0.446SS..Hα-helixtrans-63.9-43.5176.7-177.765.7000110.8L372 T373 D374 T379 L380L372-L376 WeakPolarHBondContact O-CB 3.5Å; L372-L376 PolarHBondContact O-N 3.2Å; T373-L376 WeakPolarHBondContact O-CB 3.48Å; T373-L376 PolarHBondContact O-N 2.89Å; D374-L376 VanDerWaalsContact C-N 3.26Å; D374-L376 PolarHBondContact O-N 3.46Å; L376-T379 PolarHBondContact O-N 3.27Å; L376-L380 HydrophobicContact CG-CD1 4.23Å; L376-L380 WeakPolarHBondContact O-CB 3.33Å; L376-L380 VanDerWaalsContact O-CG 3.3Å; L376-L380 WeakPolarHBondContact O-CG 3.25Å; L376-L380 PolarHBondContact O-N 3.47Å
377Q75.3Confident81Confident95 Ų9592.2 Ų92.244%0.44446%0.456SS..Hα-helixtrans-61.6-45.5176.7-70.2-176.87.900112.1T373 D374 T379 L380 R381T373-Q377 WeakPolarHBondContact O-CG 3.43Å; T373-Q377 PolarHBondContact O-N 3.05Å; D374-Q377 WeakPolarHBondContact O-CB 3.3Å; D374-Q377 PolarHBondContact O-N 3Å; Q377-T379 VanDerWaalsContact C-N 3.32Å; Q377-T379 PolarHBondContact O-N 2.88Å; Q377-L380 PolarHBondContact O-N 3.04Å; Q377-R381 WeakPolarHBondContact O-CG 3.49Å; Q377-R381 PolarHBondContact O-N 3.34Å
378H77.9Confident81.4Confident55 Ų5595.3 Ų95.326%0.25547%0.469SS..Hα-helixtrans-58.2-45.2174.6-80.8-77000111.9E34 D374 R375 L380 R381 A382E34-H378 IonicContact OE2-CE1 3.52Å; E34-H378 PolarHBondContact OE2-CE1 3.24Å; E34-H378 VanDerWaalsContact OE2-CE1 3.28Å; E34-H378 IonicContact OE2-ND1 3.31Å; D374-H378 PolarHBondContact O-CD2 2.95Å; D374-H378 PolarHBondContact O-N 3.28Å; D374-H378 IonicContact OD1-CD2 3.39Å; D374-H378 IonicContact OD1-NE2 2.76Å; D374-H378 IonicContact OD2-CD2 2.87Å; D374-H378 IonicContact OD2-NE2 3.48Å; R375-H378 PolarHBondContact O-N 3.26Å; H378-L380 VanDerWaalsContact C-N 3.35Å; H378-L380 PolarHBondContact O-N 3.37Å; H378-R381 PolarHBondContact O-N 3.04Å; H378-A382 PolarHBondContact O-N 3.49Å
379T80.8Confident81.5Confident90 Ų9094.8 Ų94.855%0.55246%0.464SS*.Hα-helixtrans-63.5-40.7178.8-54.40000111.7R375 L376 Q377 A382 L383R375-T379 WeakPolarHBondContact O-CB 3.44Å; R375-T379 PolarHBondContact O-N 2.91Å; R375-T379 PolarHBondContact O-OG1 3.22Å; L376-T379 PolarHBondContact O-N 3.27Å; Q377-T379 VanDerWaalsContact C-N 3.32Å; Q377-T379 PolarHBondContact O-N 2.88Å; T379-A382 PolarHBondContact O-N 3.04Å; T379-L383 VanDerWaalsContact O-CB 3.31Å; T379-L383 WeakPolarHBondContact O-CB 3.44Å; T379-L383 PolarHBondContact O-N 2.77Å
380L79.4Confident81.7Confident88 Ų8893.3 Ų93.346%0.46146%0.46SS..Hα-helixtrans-63.1-44.3176.9-74.6173.2000111.9L376 Q377 H378 L383 E384L376-L380 HydrophobicContact CG-CD1 4.23Å; L376-L380 WeakPolarHBondContact O-CB 3.33Å; L376-L380 VanDerWaalsContact O-CG 3.3Å; L376-L380 WeakPolarHBondContact O-CG 3.25Å; L376-L380 PolarHBondContact O-N 3.47Å; Q377-L380 PolarHBondContact O-N 3.04Å; H378-L380 VanDerWaalsContact C-N 3.35Å; H378-L380 PolarHBondContact O-N 3.37Å; L380-L383 PolarHBondContact O-N 3Å; L380-E384 WeakPolarHBondContact O-CG 2.98Å; L380-E384 PolarHBondContact O-N 3.21Å
381R79.8Confident81.8Confident140 Ų14092.7 Ų92.753%0.52846%0.458SS..Hα-helixtrans-61.6-47.5176.4-70.3178.3-174.1163.45.2111.8Q377 H378 L383 E384 D385Q377-R381 WeakPolarHBondContact O-CG 3.49Å; Q377-R381 PolarHBondContact O-N 3.34Å; H378-R381 PolarHBondContact O-N 3.04Å; R381-L383 VanDerWaalsContact C-N 3.29Å; R381-L383 PolarHBondContact O-N 3.43Å; R381-E384 WeakPolarHBondContact O-CB 3.49Å; R381-E384 PolarHBondContact O-N 2.9Å; R381-D385 PolarHBondContact O-N 2.99Å
382A83.6Confident82Confident64 Ų64100 Ų10053%0.52948%0.482SS..Hα-helixtrans-60-40.5177.200000111.9H378 T379 D385 E386H378-A382 PolarHBondContact O-N 3.49Å; T379-A382 PolarHBondContact O-N 3.04Å; A382-D385 PolarHBondContact O-N 2.91Å; A382-E386 WeakPolarHBondContact O-CB 3.4Å; A382-E386 PolarHBondContact O-N 3.46Å
383L88.8Confident82Confident113 Ų11399.9 Ų99.959%0.59248%0.482SS*.Hα-helixtrans-64.7-41.1175.7-179.264000112.1T379 L380 R381 E386 K387T379-L383 VanDerWaalsContact O-CB 3.31Å; T379-L383 WeakPolarHBondContact O-CB 3.44Å; T379-L383 PolarHBondContact O-N 2.77Å; L380-L383 PolarHBondContact O-N 3Å; R381-L383 VanDerWaalsContact C-N 3.29Å; R381-L383 PolarHBondContact O-N 3.43Å; L383-E386 PolarHBondContact O-N 3.09Å; L383-K387 VanDerWaalsContact O-CB 3.28Å; L383-K387 WeakPolarHBondContact O-CB 3.28Å; L383-K387 PolarHBondContact O-N 3.37Å
384E81.7Confident82.3Confident112 Ų11299.5 Ų99.552%0.52348%0.477SS..Hα-helixtrans-62.6-41.9175.5-77.2-176.8177.400112.3L380 R381 K387 K388L380-E384 WeakPolarHBondContact O-CG 2.98Å; L380-E384 PolarHBondContact O-N 3.21Å; R381-E384 WeakPolarHBondContact O-CB 3.49Å; R381-E384 PolarHBondContact O-N 2.9Å; E384-K387 WeakPolarHBondContact O-CB 3.45Å; E384-K387 PolarHBondContact O-N 3.17Å; E384-K388 WeakPolarHBondContact O-CG 3.21Å; E384-K388 PolarHBondContact O-N 2.98Å
385D85.3Confident82.6Confident79 Ų79101 Ų10142%0.42248%0.48SS..Hα-helixtrans-69-38.9178.4-73.9-18.6000112.1R381 A382 K387 K388 K389R381-D385 PolarHBondContact O-N 2.99Å; A382-D385 PolarHBondContact O-N 2.91Å; D385-K387 VanDerWaalsContact C-N 3.32Å; D385-K387 PolarHBondContact O-N 2.89Å; D385-K388 PolarHBondContact O-N 3.13Å; D385-K388 IonicContact OD1-NZ 3.73Å; D385-K388 PolarHBondContact OD1-NZ 2.84Å; D385-K389 WeakPolarHBondContact O-CG 3.34Å; D385-K389 PolarHBondContact O-N 2.99Å
386E87Confident82.4Confident97 Ų9797 Ų9745%0.45348%0.479SS..Hα-helixtrans-66.5-36.7174.1-16357.8-154.800111.9A382 L383 K389 T390A382-E386 WeakPolarHBondContact O-CB 3.4Å; A382-E386 PolarHBondContact O-N 3.46Å; L383-E386 PolarHBondContact O-N 3.09Å; E386-K389 PolarHBondContact O-N 2.98Å; E386-K389 WeakPolarHBondContact OE2-CD 3.42Å; E386-K389 IonicContact OE2-NZ 3Å; E386-K389 PolarHBondContact OE2-NZ 3.17Å; E386-K389 VanDerWaalsContact OE2-NZ 3.11Å; E386-T390 WeakPolarHBondContact O-CB 3.39Å; E386-T390 PolarHBondContact O-N 3.4Å; E386-T390 PolarHBondContact O-OG1 3.45Å
387K85.6Confident82.3Confident118 Ų11897.2 Ų97.251%0.51348%0.483SS..Hα-helixtrans-62.3-44.7171.2-178.4-175.8174.3-174.70111.5L383 E384 D385 K389 T390 D391L383-K387 VanDerWaalsContact O-CB 3.28Å; L383-K387 WeakPolarHBondContact O-CB 3.28Å; L383-K387 PolarHBondContact O-N 3.37Å; E384-K387 WeakPolarHBondContact O-CB 3.45Å; E384-K387 PolarHBondContact O-N 3.17Å; D385-K387 VanDerWaalsContact C-N 3.32Å; D385-K387 PolarHBondContact O-N 2.89Å; K387-K389 PolarHBondContact O-N 3.3Å; K387-T390 PolarHBondContact O-N 2.83Å; K387-D391 WeakPolarHBondContact O-CB 3.5Å; K387-D391 PolarHBondContact O-N 3.45Å
388K84.6Confident82.6Confident121 Ų12192.8 Ų92.853%0.52646%0.463SS..Hα-helixtrans-60.9-42.7176.4-72.3170.6-160.6152.80111.8E384 D385 D391 R392E384-K388 WeakPolarHBondContact O-CG 3.21Å; E384-K388 PolarHBondContact O-N 2.98Å; D385-K388 PolarHBondContact O-N 3.13Å; D385-K388 IonicContact OD1-NZ 3.73Å; D385-K388 PolarHBondContact OD1-NZ 2.84Å; K388-D391 PolarHBondContact O-N 2.93Å; K388-R392 WeakPolarHBondContact O-CB 3.31Å; K388-R392 PolarHBondContact O-N 2.86Å
389K85Confident82.8Confident120 Ų12090.2 Ų90.252%0.52245%0.451SS..Hα-helixtrans-61.7-46.1175.4-69.4174.3-161.31610111.1D385 E386 K387 R392 L393D385-K389 WeakPolarHBondContact O-CG 3.34Å; D385-K389 PolarHBondContact O-N 2.99Å; E386-K389 PolarHBondContact O-N 2.98Å; E386-K389 WeakPolarHBondContact OE2-CD 3.42Å; E386-K389 IonicContact OE2-NZ 3Å; E386-K389 PolarHBondContact OE2-NZ 3.17Å; E386-K389 VanDerWaalsContact OE2-NZ 3.11Å; K387-K389 PolarHBondContact O-N 3.3Å; K389-R392 PolarHBondContact O-N 2.89Å; K389-L393 WeakPolarHBondContact O-CG 3.21Å; K389-L393 PolarHBondContact O-N 2.99Å
390T84.9Confident82.9Confident78 Ų7889.8 Ų89.848%0.47945%0.45SS..Hα-helixtrans-61.7-45.6177.9-56.10000111.5E386 K387 L393 L394E386-T390 WeakPolarHBondContact O-CB 3.39Å; E386-T390 PolarHBondContact O-N 3.4Å; E386-T390 PolarHBondContact O-OG1 3.45Å; K387-T390 PolarHBondContact O-N 2.83Å; T390-L393 PolarHBondContact O-N 3.49Å; T390-L394 PolarHBondContact O-N 2.98Å
391D82.8Confident83Confident31 Ų3187.9 Ų87.917%0.16644%0.444CS..Hα-helixtrans-61.5-45176.8-79.6-19.5000110.7K387 K388 L393 L394 Y395 R407K387-D391 WeakPolarHBondContact O-CB 3.5Å; K387-D391 PolarHBondContact O-N 3.45Å; K388-D391 PolarHBondContact O-N 2.93Å; D391-L393 VanDerWaalsContact C-N 3.34Å; D391-L393 PolarHBondContact O-N 2.91Å; D391-L394 PolarHBondContact O-N 3.26Å; D391-Y395 HydrophobicContact CB-CD2 4.45Å; D391-Y395 HydrophobicContact CB-CE2 4.05Å; D391-Y395 WeakPolarHBondContact O-CD2 3.34Å; D391-Y395 PolarHBondContact O-N 2.94Å; D391-R407 IonicContact OD1-CZ 3.78Å; D391-R407 IonicContact OD1-NE 3.49Å; D391-R407 PolarHBondContact OD1-NE 3.26Å; D391-R407 IonicContact OD1-NH2 3.03Å; D391-R407 IonicContact OD2-CZ 2.62Å; D391-R407 IonicContact OD2-NE 2.69Å; D391-R407 IonicContact OD2-NH2 3.3Å; D391-R407 PolarHBondContact OD2-NH2 3.28Å
392R83.1Confident83.1Confident204 Ų20481.6 Ų81.677%0.7742%0.421SS*.Hα-helixtrans-59.8-42.4176.8-176.9178.5175.9-178.5-1.8112.2K388 K389 S396K388-R392 WeakPolarHBondContact O-CB 3.31Å; K388-R392 PolarHBondContact O-N 2.86Å; K389-R392 PolarHBondContact O-N 2.89Å; R392-S396 WeakPolarHBondContact O-CB 3.37Å; R392-S396 PolarHBondContact O-N 2.81Å; R392-S396 VanDerWaalsContact O-N 3.12Å
393L83.9Confident83.2Confident118 Ų11878.5 Ų78.562%0.61840%0.396SS*.Hα-helixtrans-65.5-41.8176.4-69.9173000111.3K389 T390 D391 S396 V397K389-L393 WeakPolarHBondContact O-CG 3.21Å; K389-L393 PolarHBondContact O-N 2.99Å; T390-L393 PolarHBondContact O-N 3.49Å; D391-L393 VanDerWaalsContact C-N 3.34Å; D391-L393 PolarHBondContact O-N 2.91Å; L393-S396 PolarHBondContact O-N 3.49Å; L393-S396 PolarHBondContact O-OG 2.73Å; L393-V397 PolarHBondContact O-N 2.92Å
394L82.4Confident83Confident51 Ų5176.1 Ų76.127%0.26738%0.383SS..Hα-helixtrans-61.6-47.1178.7-174.365.3000112.1T390 D391 S396 V397 L398 A403T390-L394 PolarHBondContact O-N 2.98Å; D391-L394 PolarHBondContact O-N 3.26Å; L394-S396 PolarHBondContact O-N 3.4Å; L394-V397 PolarHBondContact O-N 3.35Å; L394-L398 HydrophobicContact CD1-CD1 4.09Å; L394-L398 PolarHBondContact O-N 3.11Å; L394-A403 HydrophobicContact CD2-CB 4.29Å; L394-A403 HydrophobicContact CG-CB 4.06Å
395Y81.2Confident83.1Confident80 Ų8074.3 Ų74.331%0.31438%0.375SS..Hα-helixtrans-70.7-18.1177.5-63.5-58.5000113.7D391 L398 P400 A403 N404D391-Y395 HydrophobicContact CB-CD2 4.45Å; D391-Y395 HydrophobicContact CB-CE2 4.05Å; D391-Y395 WeakPolarHBondContact O-CD2 3.34Å; D391-Y395 PolarHBondContact O-N 2.94Å; Y395-L398 VanDerWaalsContact O-O 3.12Å; Y395-P400 HydrophobicContact CD1-CB 4.43Å; Y395-A403 HydrophobicContact CD1-CB 3.48Å; Y395-A403 VanDerWaalsContact CD1-CB 3.48Å; Y395-A403 HydrophobicContact CE1-CB 3.6Å; Y395-N404 PolarHBondContact OH-OD1 2.83Å
396S77Confident83Confident89 Ų8973.1 Ų73.162%0.62237%0.368SS*.Hα-helixtrans-76.2-27.2174.975.40000112.9R392 L393 L394R392-S396 WeakPolarHBondContact O-CB 3.37Å; R392-S396 PolarHBondContact O-N 2.81Å; R392-S396 VanDerWaalsContact O-N 3.12Å; L393-S396 PolarHBondContact O-N 3.49Å; L393-S396 PolarHBondContact O-OG 2.73Å; L394-S396 PolarHBondContact O-N 3.4Å
397V77.8Confident82.7Confident98 Ų9873.3 Ų73.359%0.59437%0.365SS*.Hα-helixtrans-97.3-39.1-177178.80000111.4L393 L394 Y470L393-V397 PolarHBondContact O-N 2.92Å; L394-V397 PolarHBondContact O-N 3.35Å; V397-Y470 PolarHBondContact O-OH 3.25Å
398L83Confident82.5Confident3 Ų373.1 Ų73.12%0.01637%0.366CS..SBendtrans-114.2149.8-175.6-64.7177.2000111.1L394 Y395 A403 L406 P538L394-L398 HydrophobicContact CD1-CD1 4.09Å; L394-L398 PolarHBondContact O-N 3.11Å; Y395-L398 VanDerWaalsContact O-O 3.12Å; L398-A403 HydrophobicContact CB-CB 4.19Å; L398-L406 HydrophobicContact CD1-CD1 3.42Å; L398-L406 VanDerWaalsContact CD1-CD1 3.42Å; L398-P538 HydrophobicContact CD1-CB 4.41Å; L398-P538 HydrophobicContact CD1-CG 4.18Å
399P82.2Confident82.2Confident1 Ų176.8 Ų76.81%0.00638%0.381CS..  trans-61.1146.5175-7.417.8000111.4S401 V402 A403 Y470 P486 Y540P399-S401 VanDerWaalsContact C-N 3.3Å; P399-S401 PolarHBondContact O-N 2.9Å; P399-S401 VanDerWaalsContact O-N 3.17Å; P399-V402 HydrophobicContact CB-CG2 4.44Å; P399-V402 HydrophobicContact CG-CB 4.38Å; P399-V402 HydrophobicContact CG-CG2 4.09Å; P399-V402 PolarHBondContact O-N 3.19Å; P399-A403 WeakPolarHBondContact O-CB 3.39Å; P399-A403 PolarHBondContact O-N 2.97Å; P399-Y470 HydrophobicContact CB-CD2 4.32Å; P399-Y470 HydrophobicContact CB-CE2 3.94Å; P399-Y470 VanDerWaalsContact CD-OH 3.26Å; P399-Y470 WeakPolarHBondContact CD-OH 3.44Å; P399-Y470 HydrophobicContact CG-CD2 4.28Å; P399-Y470 HydrophobicContact CG-CE1 3.95Å; P399-Y470 HydrophobicContact CG-CE2 3.66Å; P399-Y470 VanDerWaalsContact CG-CZ 3.49Å; P399-P486 HydrophobicContact CB-CB 4.24Å; P399-P486 HydrophobicContact CB-CG 3.17Å; P399-P486 HydrophobicContact CG-CG 3.67Å; P399-Y540 HydrophobicContact CG-CD1 4.03Å; P399-Y540 HydrophobicContact CG-CE1 4.3Å; P399-Y540 HydrophobicContact CG-CG 4.15Å
400P82Confident82.1Confident80 Ų8077.5 Ų77.552%0.51938%0.381SS..Hα-helixtrans-53-41.8-174.6-29.735.5000114.9Y395 V402 A403 N404Y395-P400 HydrophobicContact CD1-CB 4.43Å; P400-V402 PolarHBondContact O-N 2.92Å; P400-A403 PolarHBondContact O-N 3.33Å; P400-N404 WeakPolarHBondContact O-CB 3.47Å; P400-N404 VanDerWaalsContact O-CG 3.23Å; P400-N404 PolarHBondContact O-N 3.13Å; P400-N404 PolarHBondContact O-ND2 3.4Å; P400-N404 VanDerWaalsContact O-ND2 3.15Å
401S81.6Confident81.7Confident49 Ų4979.3 Ų79.334%0.34339%0.394SS..Hα-helixtrans-62.3-42.5178.2540000112.6P399 E405P399-S401 VanDerWaalsContact C-N 3.3Å; P399-S401 PolarHBondContact O-N 2.9Å; P399-S401 VanDerWaalsContact O-N 3.17Å; S401-E405 WeakPolarHBondContact O-CG 3.21Å; S401-E405 PolarHBondContact O-N 3.26Å
402V82.8Confident81.7Confident7 Ų779.5 Ų79.54%0.04240%0.396CS..Hα-helixtrans-73.6-42179.3176.80000111.3P399 P400 N404 E405 L406 V412 V532 Y540P399-V402 HydrophobicContact CB-CG2 4.44Å; P399-V402 HydrophobicContact CG-CB 4.38Å; P399-V402 HydrophobicContact CG-CG2 4.09Å; P399-V402 PolarHBondContact O-N 3.19Å; P400-V402 PolarHBondContact O-N 2.92Å; V402-N404 VanDerWaalsContact C-N 3.32Å; V402-N404 PolarHBondContact O-N 3.15Å; V402-E405 PolarHBondContact O-N 3.15Å; V402-L406 HydrophobicContact CG1-CD1 4.15Å; V402-L406 WeakPolarHBondContact O-CG 3.49Å; V402-L406 PolarHBondContact O-N 3.06Å; V402-V412 HydrophobicContact CG1-CG1 4.32Å; V402-V412 HydrophobicContact CG1-CG2 4.17Å; V402-V412 HydrophobicContact CG2-CG1 4.43Å; V402-V532 HydrophobicContact CG1-CG2 3.41Å; V402-V532 VanDerWaalsContact CG1-CG2 3.41Å; V402-Y540 HydrophobicContact CG1-CD2 4.36Å; V402-Y540 HydrophobicContact CG2-CD2 3.92Å; V402-Y540 HydrophobicContact CG2-CE2 3.8Å
403A84.6Confident81.8Confident0 Ų074.7 Ų74.70%039%0.391CS..Hα-helixtrans-59.6-42.1176.700000111.6L394 Y395 L398 P399 P400 L406 R407L394-A403 HydrophobicContact CD2-CB 4.29Å; L394-A403 HydrophobicContact CG-CB 4.06Å; Y395-A403 HydrophobicContact CD1-CB 3.48Å; Y395-A403 VanDerWaalsContact CD1-CB 3.48Å; Y395-A403 HydrophobicContact CE1-CB 3.6Å; L398-A403 HydrophobicContact CB-CB 4.19Å; P399-A403 WeakPolarHBondContact O-CB 3.39Å; P399-A403 PolarHBondContact O-N 2.97Å; P400-A403 PolarHBondContact O-N 3.33Å; A403-L406 PolarHBondContact O-N 2.84Å; A403-R407 VanDerWaalsContact O-CB 3.31Å; A403-R407 WeakPolarHBondContact O-CB 3.41Å; A403-R407 PolarHBondContact O-N 2.72Å
404N84.8Confident82Confident63 Ų6372.7 Ų72.734%0.33739%0.392SS..Hα-helixtrans-62.2-45.9176.4-78.4-29.4000112.6Y395 P400 V402 L406 R407 H408Y395-N404 PolarHBondContact OH-OD1 2.83Å; P400-N404 WeakPolarHBondContact O-CB 3.47Å; P400-N404 VanDerWaalsContact O-CG 3.23Å; P400-N404 PolarHBondContact O-N 3.13Å; P400-N404 PolarHBondContact O-ND2 3.4Å; P400-N404 VanDerWaalsContact O-ND2 3.15Å; V402-N404 VanDerWaalsContact C-N 3.32Å; V402-N404 PolarHBondContact O-N 3.15Å; N404-L406 PolarHBondContact O-N 3.45Å; N404-R407 WeakPolarHBondContact O-CB 3.27Å; N404-R407 PolarHBondContact O-N 3.34Å; N404-H408 PolarHBondContact O-CD2 3.05Å; N404-H408 PolarHBondContact O-N 3.32Å
405E84.3Confident82.3Confident74 Ų7475.2 Ų75.235%0.34640%0.401SS..Hα-helixtrans-62-44.3177.3-69.4-64.1157.500111.6S401 V402 R407 H408 K409 R410 V412S401-E405 WeakPolarHBondContact O-CG 3.21Å; S401-E405 PolarHBondContact O-N 3.26Å; V402-E405 PolarHBondContact O-N 3.15Å; E405-R407 PolarHBondContact O-N 3.17Å; E405-H408 CarbonylContact O-C 3.58Å; E405-H408 PolarHBondContact O-N 3.49Å; E405-K409 PolarHBondContact O-N 3.48Å; E405-R410 HydrophobicContact CB-CB 4.44Å; E405-R410 WeakPolarHBondContact O-CB 3.4Å; E405-R410 PolarHBondContact O-N 3Å; E405-R410 WeakPolarHBondContact OE2-CB 3.36Å; E405-R410 WeakPolarHBondContact OE2-CD 3.46Å; E405-R410 IonicContact OE2-NH1 2.71Å; E405-V412 HydrophobicContact CB-CG2 3.61Å; E405-V412 HydrophobicContact CG-CG2 4.45Å
406L81.9Confident82.8Confident53 Ų5378.8 Ų78.828%0.27741%0.414SS..Hα-helixtrans-64.9-38.1176.8-71173.4000112.7L398 V402 A403 N404 H408 K409 V412 V532 P538L398-L406 HydrophobicContact CD1-CD1 3.42Å; L398-L406 VanDerWaalsContact CD1-CD1 3.42Å; V402-L406 HydrophobicContact CG1-CD1 4.15Å; V402-L406 WeakPolarHBondContact O-CG 3.49Å; V402-L406 PolarHBondContact O-N 3.06Å; A403-L406 PolarHBondContact O-N 2.84Å; N404-L406 PolarHBondContact O-N 3.45Å; L406-H408 PolarHBondContact O-N 3.21Å; L406-K409 PolarHBondContact O-N 3.4Å; L406-V412 HydrophobicContact CD2-CG2 4.28Å; L406-V412 HydrophobicContact CG-CG2 4.17Å; L406-V532 HydrophobicContact CD1-CG1 4.32Å; L406-P538 HydrophobicContact CD1-CB 4.13Å; L406-P538 HydrophobicContact CD1-CG 4.35Å
407R80.8Confident83.5Confident102 Ų10275.8 Ų75.839%0.38539%0.389SS..Hα-helixtrans-58.4-36.8174.9-169.8-176.8-170.6-145.64.9111.7D391 A403 N404 E405 K409D391-R407 IonicContact OD1-CZ 3.78Å; D391-R407 IonicContact OD1-NE 3.49Å; D391-R407 PolarHBondContact OD1-NE 3.26Å; D391-R407 IonicContact OD1-NH2 3.03Å; D391-R407 IonicContact OD2-CZ 2.62Å; D391-R407 IonicContact OD2-NE 2.69Å; D391-R407 IonicContact OD2-NH2 3.3Å; D391-R407 PolarHBondContact OD2-NH2 3.28Å; A403-R407 VanDerWaalsContact O-CB 3.31Å; A403-R407 WeakPolarHBondContact O-CB 3.41Å; A403-R407 PolarHBondContact O-N 2.72Å; N404-R407 WeakPolarHBondContact O-CB 3.27Å; N404-R407 PolarHBondContact O-N 3.34Å; E405-R407 PolarHBondContact O-N 3.17Å; R407-K409 VanDerWaalsContact C-N 3.26Å; R407-K409 PolarHBondContact O-N 3.32Å
408H82.8Confident84Confident114 Ų11475.8 Ų75.853%0.52839%0.385SS..THydrogen-bonded Turntrans-86.311.6176.2-68.9-62.5000114N404 E405 L406 R410N404-H408 PolarHBondContact O-CD2 3.05Å; N404-H408 PolarHBondContact O-N 3.32Å; E405-H408 CarbonylContact O-C 3.58Å; E405-H408 PolarHBondContact O-N 3.49Å; L406-H408 PolarHBondContact O-N 3.21Å; H408-R410 HydrophobicContact CB-CG 4.13Å; H408-R410 PolarHBondContact O-N 3.27Å
409K78.3Confident84.4Confident197 Ų19781 Ų8186%0.85741%0.413SS*.THydrogen-bonded Turntrans55.326.6-175.8-58.8-177.4178.7178.40113.3E405 L406 R407E405-K409 PolarHBondContact O-N 3.48Å; L406-K409 PolarHBondContact O-N 3.4Å; R407-K409 VanDerWaalsContact C-N 3.26Å; R407-K409 PolarHBondContact O-N 3.32Å
410R82.2Confident85Confident136 Ų13680.9 Ų80.951%0.51341%0.413SS..  trans-88135.3176.7-66.1174.1-178.2175.82.7109.1E405 H408 V412E405-R410 HydrophobicContact CB-CB 4.44Å; E405-R410 WeakPolarHBondContact O-CB 3.4Å; E405-R410 PolarHBondContact O-N 3Å; E405-R410 WeakPolarHBondContact OE2-CB 3.36Å; E405-R410 WeakPolarHBondContact OE2-CD 3.46Å; E405-R410 IonicContact OE2-NH1 2.71Å; H408-R410 HydrophobicContact CB-CG 4.13Å; H408-R410 PolarHBondContact O-N 3.27Å; R410-V412 PolarHBondContact O-N 2.64Å
411P76.4Confident85.6Confident116 Ų11677.1 Ų77.175%0.75339%0.388SS*.  trans-67.9132176.227.6-32000109.5P413P411-P413 VanDerWaalsContact O-CD 3.23Å; P411-P413 WeakPolarHBondContact O-CD 3.38Å
412V82.9Confident86.3Confident35 Ų3574.8 Ų74.821%0.21237%0.372CS..  trans-91.4104.1174-178.50000108.1V402 E405 L406 R410 V532V402-V412 HydrophobicContact CG1-CG1 4.32Å; V402-V412 HydrophobicContact CG1-CG2 4.17Å; V402-V412 HydrophobicContact CG2-CG1 4.43Å; E405-V412 HydrophobicContact CB-CG2 3.61Å; E405-V412 HydrophobicContact CG-CG2 4.45Å; L406-V412 HydrophobicContact CD2-CG2 4.28Å; L406-V412 HydrophobicContact CG-CG2 4.17Å; R410-V412 PolarHBondContact O-N 2.64Å; V412-V532 HydrophobicContact CB-CG2 3.91Å; V412-V532 HydrophobicContact CG1-CG2 3.93Å; V412-V532 HydrophobicContact CG2-CG2 4.39Å
413P84.1Confident86.9Confident102 Ų10274.4 Ų74.466%0.66237%0.37SS*.  trans-70.2156-177.530.3-35.5000111.3P411P411-P413 VanDerWaalsContact O-CD 3.23Å; P411-P413 WeakPolarHBondContact O-CD 3.38Å
414A88.3Confident87.4Confident77 Ų7774.9 Ų74.964%0.63637%0.372SS*.  trans-65136.817100000110.4V529 T530A414-V529 HydrophobicContact CB-CG1 4.45Å; A414-T530 CarbonylContact C-O 3.59Å; A414-T530 WeakPolarHBondContact CA-O 3.44Å
415K89.4Confident87.8Confident104 Ų10472 Ų7245%0.45236%0.357SS..EExtended strand (participates in β ladder)trans-131.4137.7-177.3-174.8169.5164.9-160.40110.9Y417 V529 T530K415-Y417 HydrophobicContact CB-CD2 4.42Å; K415-Y417 HydrophobicContact CB-CE2 3.75Å; K415-Y417 HydrophobicContact CD-CE1 4.31Å; K415-Y417 HydrophobicContact CD-CE2 3.79Å; K415-Y417 WeakPolarHBondContact CD-OH 3.39Å; K415-Y417 VanDerWaalsContact CE-CZ 3.49Å; K415-Y417 WeakPolarHBondContact CE-OH 3.48Å; K415-Y417 HydrophobicContact CG-CD2 4.1Å; K415-Y417 HydrophobicContact CG-CE2 3.54Å; K415-Y417 PolarHBondContact NZ-OH 3.41Å; K415-Y417 VanDerWaalsContact NZ-OH 3.15Å; K415-V529 CarbonylContact O-C 3.52Å; K415-V529 WeakPolarHBondContact O-CA 3.26Å; K415-T530 PolarHBondContact N-O 3.09Å; K415-T530 PolarHBondContact O-N 3.01Å; K415-T530 PolarHBondContact O-OG1 3.2Å
416R91.4Very high88.1Confident155 Ų15568.6 Ų68.659%0.58534%0.341SS*.EExtended strand (participates in β ladder)trans-93138.4174.6-176.4178.7177-157.8-1.7109.5D418 E527 V528 V529R416-D418 IonicContact CZ-OD1 3.88Å; R416-D418 IonicContact NE-OD1 3.34Å; R416-E527 IonicContact CZ-OE2 3.57Å; R416-E527 IonicContact NE-OE2 3.82Å; R416-E527 PolarHBondContact NE-OE2 2.83Å; R416-E527 IonicContact NH2-OE2 3.23Å; R416-E527 PolarHBondContact NH2-OE2 2.86Å; R416-V528 WeakPolarHBondContact CA-O 3.49Å; R416-V529 HydrophobicContact CB-CG2 4.34Å; R416-V529 HydrophobicContact CG-CG2 4.35Å
417Y91.9Very high88.5Confident26 Ų2667.1 Ų67.110%0.10233%0.333CS..EExtended strand (participates in β ladder)trans-130.8131.2176.2-66.4-101.2000108.7K415 L485 P486 P488 E527 V528 T530K415-Y417 HydrophobicContact CB-CD2 4.42Å; K415-Y417 HydrophobicContact CB-CE2 3.75Å; K415-Y417 HydrophobicContact CD-CE1 4.31Å; K415-Y417 HydrophobicContact CD-CE2 3.79Å; K415-Y417 WeakPolarHBondContact CD-OH 3.39Å; K415-Y417 VanDerWaalsContact CE-CZ 3.49Å; K415-Y417 WeakPolarHBondContact CE-OH 3.48Å; K415-Y417 HydrophobicContact CG-CD2 4.1Å; K415-Y417 HydrophobicContact CG-CE2 3.54Å; K415-Y417 PolarHBondContact NZ-OH 3.41Å; K415-Y417 VanDerWaalsContact NZ-OH 3.15Å; Y417-L485 HydrophobicContact CD1-CD2 3.43Å; Y417-L485 VanDerWaalsContact CD1-CD2 3.43Å; Y417-L485 HydrophobicContact CD2-CD2 3.15Å; Y417-L485 HydrophobicContact CE1-CD2 3.64Å; Y417-L485 HydrophobicContact CE2-CD2 3.35Å; Y417-L485 HydrophobicContact CG-CD2 3.18Å; Y417-L485 HydrophobicContact CG-CG 4.46Å; Y417-P486 PolarHBondContact OH-O 3.13Å; Y417-P486 VanDerWaalsContact OH-O 3.07Å; Y417-P488 HydrophobicContact CD1-CG 4.19Å; Y417-P488 HydrophobicContact CE1-CG 3.99Å; Y417-E527 CarbonylContact O-C 3.54Å; Y417-E527 WeakPolarHBondContact O-CA 3.26Å; Y417-V528 PolarHBondContact N-O 3.27Å; Y417-V528 PolarHBondContact O-N 3.48Å; Y417-T530 HydrophobicContact CD2-CG2 4.14Å; Y417-T530 HydrophobicContact CE2-CG2 4.19Å; Y417-T530 WeakPolarHBondContact CE2-OG1 2.96Å
418D89.2Confident88.9Confident97 Ų9764 Ų6452%0.51933%0.325SS..EExtended strand (participates in β ladder)trans-90-38-170-59.2-51.5000113.3R416 G526 E527R416-D418 IonicContact CZ-OD1 3.88Å; R416-D418 IonicContact NE-OD1 3.34Å; D418-G526 CarbonylContact O-C 3.56Å; D418-E527 WeakPolarHBondContact O-CA 3.34Å; D418-E527 PolarHBondContact O-N 3.46Å
419N89.9Confident89Confident112 Ų11260.6 Ų60.660%0.59932%0.321SS*.EExtended strand (participates in β ladder)trans-112.985.8-176.4-67.6-31.3000110.7
420V94.8Very high89.3Confident0 Ų052.5 Ų52.50%029%0.286CS..EExtended strand (participates in β ladder)trans-126129.4179.9179.60000109.2I422 V482 S483 L485 T525 G526 V528V420-I422 HydrophobicContact CG1-CG1 4.26Å; V420-V482 HydrophobicContact CG1-CG2 3.16Å; V420-S483 WeakPolarHBondContact CG1-O 3.43Å; V420-L485 HydrophobicContact CB-CD1 4.49Å; V420-L485 HydrophobicContact CG1-CD1 3.64Å; V420-L485 HydrophobicContact CG1-CG 3.93Å; V420-L485 HydrophobicContact CG2-CD1 4.03Å; V420-L485 HydrophobicContact CG2-CD2 4.15Å; V420-L485 HydrophobicContact CG2-CG 3.8Å; V420-T525 VanDerWaalsContact O-CA 3.27Å; V420-T525 WeakPolarHBondContact O-CA 3.46Å; V420-G526 PolarHBondContact N-O 3.08Å; V420-G526 PolarHBondContact O-N 3.36Å; V420-V528 HydrophobicContact CB-CG2 4Å; V420-V528 HydrophobicContact CG1-CG2 4.03Å; V420-V528 HydrophobicContact CG2-CB 4.43Å; V420-V528 HydrophobicContact CG2-CG2 4.44Å
421T96.1Very high89.4Confident0 Ų051.8 Ų51.80%029%0.292CS..EExtended strand (participates in β ladder)trans-101.5124.6172.9-600000109.9V482 S483 H492 A493 I496 I523 T525 T568T421-V482 WeakPolarHBondContact O-CA 3.16Å; T421-S483 PolarHBondContact N-O 2.94Å; T421-S483 PolarHBondContact O-N 2.74Å; T421-H492 PolarHBondContact OG1-CE1 2.95Å; T421-H492 VanDerWaalsContact OG1-CE1 3.29Å; T421-H492 PolarHBondContact OG1-ND1 2.65Å; T421-A493 WeakPolarHBondContact OG1-CA 3.39Å; T421-I496 HydrophobicContact CG2-CB 3.88Å; T421-I496 HydrophobicContact CG2-CG1 4.02Å; T421-I496 HydrophobicContact CG2-CG2 3.83Å; T421-I523 HydrophobicContact CG2-CG2 3.45Å; T421-I523 VanDerWaalsContact CG2-CG2 3.45Å; T421-T525 PolarHBondContact OG1-OG1 3.19Å; T421-T568 HydrophobicContact CG2-CG2 4.45Å
422I95.5Very high89.8Confident0 Ų049.4 Ų49.40%028%0.283CS..EExtended strand (participates in β ladder)trans-109.4141.3178.5-51.8179000108.7V420 F424 M480 V482 I523 H524 V528 T546 V547 T550V420-I422 HydrophobicContact CG1-CG1 4.26Å; I422-F424 HydrophobicContact CG2-CD2 4.14Å; I422-F424 HydrophobicContact CG2-CE2 4.02Å; I422-M480 HydrophobicContact CD1-CE 4.42Å; I422-M480 HydrophobicContact CG2-CE 3.74Å; I422-M480 HydrophobicContact CG2-CG 4.32Å; I422-V482 HydrophobicContact CG1-CG2 4.06Å; I422-I523 WeakPolarHBondContact O-CA 3.31Å; I422-H524 PolarHBondContact N-O 2.84Å; I422-H524 PolarHBondContact O-N 2.95Å; I422-H524 VanDerWaalsContact O-N 3.09Å; I422-V528 HydrophobicContact CD1-CG2 3.87Å; I422-T546 HydrophobicContact CD1-CG2 3.91Å; I422-T546 HydrophobicContact CG1-CG2 4.46Å; I422-V547 HydrophobicContact CD1-CB 4.44Å; I422-V547 HydrophobicContact CD1-CG2 3.83Å; I422-T550 HydrophobicContact CB-CG2 3.95Å; I422-T550 HydrophobicContact CG2-CG2 3.93Å; I422-T550 VanDerWaalsContact O-CG2 3.27Å; I422-T550 WeakPolarHBondContact O-CG2 3.37Å
423L95.6Very high89.8Confident0 Ų049.4 Ų49.40%028%0.28CS..EExtended strand (participates in β ladder)trans-118.7132.2170.7178.9155.1000109.8M480 T481 I496 A500 M503 I521 G522 I523L423-M480 WeakPolarHBondContact O-CA 3.48Å; L423-T481 WeakPolarHBondContact CB-OG1 3.26Å; L423-T481 PolarHBondContact N-O 2.61Å; L423-T481 PolarHBondContact O-N 3.49Å; L423-T481 VanDerWaalsContact O-N 3.09Å; L423-I496 HydrophobicContact CB-CD1 4.49Å; L423-I496 HydrophobicContact CB-CG2 3.69Å; L423-I496 HydrophobicContact CD1-CG2 3.8Å; L423-I496 HydrophobicContact CG-CG2 4.37Å; L423-A500 HydrophobicContact CD1-CB 3.64Å; L423-M503 HydrophobicContact CD1-SD 4.4Å; L423-M503 HydrophobicContact CD2-CE 4.28Å; L423-M503 HydrophobicContact CD2-SD 4Å; L423-I521 HydrophobicContact CD1-CG2 3.66Å; L423-I521 HydrophobicContact CD2-CG2 4.04Å; L423-I521 HydrophobicContact CG-CG2 3.58Å; L423-G522 WeakPolarHBondContact CA-O 3.41Å; L423-I523 HydrophobicContact CD1-CD1 4.38Å; L423-I523 HydrophobicContact CD1-CG1 4.27Å; L423-I523 HydrophobicContact CG-CG1 4.36Å
424F94.9Very high89.9Confident9 Ų946.3 Ų46.34%0.03926%0.26CS..EExtended strand (participates in β ladder)trans-114.1132.9164.4-86.6-82.3000109.3I422 K478 Y479 M480 I521 G522 V547 T550 E554I422-F424 HydrophobicContact CG2-CD2 4.14Å; I422-F424 HydrophobicContact CG2-CE2 4.02Å; F424-K478 HydrophobicContact CD1-CB 3.91Å; F424-K478 HydrophobicContact CD1-CD 4.08Å; F424-K478 HydrophobicContact CE1-CB 4.38Å; F424-Y479 WeakPolarHBondContact CA-O 3.4Å; F424-M480 HydrophobicContact CD1-CB 4.31Å; F424-M480 HydrophobicContact CE1-CB 3.98Å; F424-M480 HydrophobicContact CE1-CG 4.04Å; F424-M480 HydrophobicContact CE1-SD 4.1Å; F424-M480 HydrophobicContact CE2-CE 4.45Å; F424-M480 HydrophobicContact CE2-CG 4.31Å; F424-M480 HydrophobicContact CE2-SD 4.24Å; F424-M480 HydrophobicContact CZ-CB 4.38Å; F424-M480 HydrophobicContact CZ-CE 4.33Å; F424-M480 HydrophobicContact CZ-CG 3.93Å; F424-M480 HydrophobicContact CZ-SD 3.61Å; F424-I521 CarbonylContact O-C 3.6Å; F424-I521 WeakPolarHBondContact O-CA 3.34Å; F424-G522 PolarHBondContact N-O 3.33Å; F424-G522 PolarHBondContact O-N 3.28Å; F424-V547 HydrophobicContact CE2-CG1 4.13Å; F424-V547 HydrophobicContact CZ-CG1 4.1Å; F424-T550 HydrophobicContact CD2-CG2 3.6Å; F424-T550 HydrophobicContact CE2-CG2 4.38Å; F424-E554 HydrophobicContact CB-CB 3.98Å; F424-E554 HydrophobicContact CB-CG 4.18Å
425S93.4Very high89.8Confident3 Ų347.1 Ų47.12%0.02126%0.261CS..EExtended strand (participates in β ladder)trans-119.5120.5172.1174.10000109.6K478 Y479 T520S425-K478 CarbonylContact O-C 3.41Å; S425-K478 VanDerWaalsContact O-CA 3.31Å; S425-K478 WeakPolarHBondContact O-CA 3.5Å; S425-Y479 PolarHBondContact N-O 2.66Å; S425-Y479 PolarHBondContact O-N 3.38Å; S425-T520 WeakPolarHBondContact CA-O 3.33Å
426G91.1Very high89.5Confident2 Ų249.4 Ų49.42%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-112.8145.1174.300000111.7I519 T520G426-I519 CarbonylContact O-C 3.53Å; G426-I519 VanDerWaalsContact O-CA 3.32Å; G426-I519 WeakPolarHBondContact O-CA 3.38Å; G426-T520 PolarHBondContact N-O 2.92Å; G426-T520 PolarHBondContact O-N 2.86Å
427I89.6Confident89.1Confident23 Ų2343.4 Ų43.412%0.11825%0.25CC..EExtended strand (participates in β ladder)trans-81.5127.3176.5-63171.1000109.5G429 F430 L450 V517 I519I427-G429 PolarHBondContact O-N 3.01Å; I427-F430 HydrophobicContact CB-CB 4.03Å; I427-F430 HydrophobicContact CB-CD2 4.34Å; I427-F430 HydrophobicContact CD1-CD2 4.25Å; I427-F430 HydrophobicContact CG2-CB 4.22Å; I427-F430 HydrophobicContact CG2-CD2 4.44Å; I427-F430 WeakPolarHBondContact O-CB 3.23Å; I427-F430 PolarHBondContact O-N 3.26Å; I427-L450 HydrophobicContact CD1-CD2 3.92Å; I427-V517 HydrophobicContact CG1-CG1 4.44Å; I427-V517 HydrophobicContact CG2-CG1 4.07Å; I427-I519 HydrophobicContact CG1-CG2 4.25Å
428V88.6Confident88.4Confident36 Ų3646.4 Ų46.422%0.21828%0.28CS..THydrogen-bonded Turntrans-66124.1-179.8178.70000109.7F430 Q518 T520 K559V428-F430 VanDerWaalsContact C-N 3.29Å; V428-F430 PolarHBondContact O-N 3.43Å; V428-Q518 HydrophobicContact CB-CB 4.07Å; V428-Q518 WeakPolarHBondContact CB-O 3.46Å; V428-Q518 HydrophobicContact CG2-CB 4.06Å; V428-Q518 WeakPolarHBondContact CG2-O 3.46Å; V428-Q518 PolarHBondContact N-O 3.37Å; V428-T520 VanDerWaalsContact CG2-OG1 3.27Å; V428-T520 WeakPolarHBondContact CG2-OG1 3.44Å; V428-K559 HydrophobicContact CG1-CB 4.11Å; V428-K559 HydrophobicContact CG1-CD 3.69Å; V428-K559 HydrophobicContact CG1-CG 3.95Å; V428-K559 HydrophobicContact CG2-CB 4.05Å; V428-K559 HydrophobicContact CG2-CG 4.33Å
429G84.8Confident88.3Confident43 Ų4345.2 Ų45.244%0.44328%0.279SS..THydrogen-bonded Turntrans7710.7176.900000114.8I427 N431 A432 F433I427-G429 PolarHBondContact O-N 3.01Å; G429-N431 VanDerWaalsContact C-N 3.33Å; G429-N431 PolarHBondContact O-N 3.12Å; G429-A432 WeakPolarHBondContact O-CB 3.3Å; G429-A432 PolarHBondContact O-N 3.32Å; G429-F433 PolarHBondContact O-N 2.82Å
430F85.4Confident87.7Confident26 Ų2643.9 Ų43.911%0.11428%0.284CS..Hα-helixtrans-52.7-45.5-179.2-174.7-102.7000113.5I427 V428 A432 F433 C434 I446 L450 D477I427-F430 HydrophobicContact CB-CB 4.03Å; I427-F430 HydrophobicContact CB-CD2 4.34Å; I427-F430 HydrophobicContact CD1-CD2 4.25Å; I427-F430 HydrophobicContact CG2-CB 4.22Å; I427-F430 HydrophobicContact CG2-CD2 4.44Å; I427-F430 WeakPolarHBondContact O-CB 3.23Å; I427-F430 PolarHBondContact O-N 3.26Å; V428-F430 VanDerWaalsContact C-N 3.29Å; V428-F430 PolarHBondContact O-N 3.43Å; F430-A432 VanDerWaalsContact C-N 3.29Å; F430-A432 PolarHBondContact O-N 2.96Å; F430-F433 WeakPolarHBondContact O-CB 3.42Å; F430-F433 PolarHBondContact O-N 2.9Å; F430-F433 VanDerWaalsContact O-N 3.13Å; F430-C434 WeakPolarHBondContact CE1-SG 3.43Å; F430-C434 WeakPolarHBondContact CZ-SG 3.39Å; F430-C434 PolarHBondContact O-N 3.22Å; F430-C434 PolarHBondContact O-SG 3.2Å; F430-C434 VanDerWaalsContact O-SG 3.33Å; F430-I446 HydrophobicContact CE2-CG2 3.9Å; F430-I446 HydrophobicContact CZ-CG2 3.84Å; F430-L450 HydrophobicContact CE2-CD1 4.23Å; F430-L450 HydrophobicContact CE2-CD2 3.84Å; F430-L450 HydrophobicContact CE2-CG 4.12Å; F430-L450 HydrophobicContact CZ-CD1 3.97Å; F430-L450 HydrophobicContact CZ-CD2 4.22Å; F430-L450 HydrophobicContact CZ-CG 4.37Å; F430-D477 HydrophobicContact CD1-CB 3.32Å; F430-D477 WeakPolarHBondContact CD1-OD2 3.37Å; F430-D477 HydrophobicContact CD2-CB 4.48Å; F430-D477 HydrophobicContact CE1-CB 3.41Å; F430-D477 VanDerWaalsContact CE1-CB 3.41Å; F430-D477 HydrophobicContact CG-CB 3.91Å; F430-D477 HydrophobicContact CZ-CB 4.05Å
431N85Confident87Confident121 Ų12151.3 Ų51.365%0.64732%0.319SS*.Hα-helixtrans-60.6-36.8177.8-69.7-24.7000113.3G429 S435G429-N431 VanDerWaalsContact C-N 3.33Å; G429-N431 PolarHBondContact O-N 3.12Å; N431-S435 WeakPolarHBondContact O-CB 3.45Å; N431-S435 PolarHBondContact O-N 3.32Å; N431-S435 PolarHBondContact O-OG 2.99Å
432A84.8Confident86.4Confident67 Ų6751.5 Ų51.555%0.55432%0.32SS*.Hα-helixtrans-71.5-39.517600000111G429 F430 S435 K436G429-A432 WeakPolarHBondContact O-CB 3.3Å; G429-A432 PolarHBondContact O-N 3.32Å; F430-A432 VanDerWaalsContact C-N 3.29Å; F430-A432 PolarHBondContact O-N 2.96Å; A432-S435 PolarHBondContact O-N 3.3Å; A432-K436 WeakPolarHBondContact O-CB 3.36Å; A432-K436 PolarHBondContact O-N 2.94Å
433F83Confident85.8Confident35 Ų3553.7 Ų53.715%0.15434%0.338CS..Hα-helixtrans-60.7-47.1173.9-174.2-105000111.5G429 F430 S435 K436 H437 I446 L449 V512G429-F433 PolarHBondContact O-N 2.82Å; F430-F433 WeakPolarHBondContact O-CB 3.42Å; F430-F433 PolarHBondContact O-N 2.9Å; F430-F433 VanDerWaalsContact O-N 3.13Å; F433-S435 VanDerWaalsContact C-N 3.33Å; F433-S435 PolarHBondContact O-N 3.3Å; F433-K436 PolarHBondContact O-N 3.06Å; F433-H437 AromaticContact CD2-CD2 3.61Å; F433-H437 AromaticContact CD2-NE2 3.9Å; F433-H437 AromaticContact CE2-CD2 3.38Å; F433-H437 WeakPolarHBondContact CE2-CD2 3.49Å; F433-H437 AromaticContact CE2-NE2 3.43Å; F433-H437 WeakPolarHBondContact CE2-NE2 3.35Å; F433-H437 AromaticContact CZ-CD2 3.72Å; F433-H437 PolarHBondContact O-CD2 2.83Å; F433-H437 VanDerWaalsContact O-CD2 3.27Å; F433-H437 PolarHBondContact O-N 3.38Å; F433-I446 HydrophobicContact CD1-CG1 3.87Å; F433-I446 HydrophobicContact CE1-CB 4.43Å; F433-I446 HydrophobicContact CE1-CG1 3.59Å; F433-L449 HydrophobicContact CD1-CD2 4.35Å; F433-L449 HydrophobicContact CE1-CD2 3.86Å; F433-L449 HydrophobicContact CZ-CD2 4.36Å; F433-V512 HydrophobicContact CD2-CG1 4.32Å; F433-V512 HydrophobicContact CE1-CG1 4.42Å; F433-V512 HydrophobicContact CE2-CG1 3.38Å; F433-V512 HydrophobicContact CZ-CG1 3.45Å; F433-V512 VanDerWaalsContact CZ-CG1 3.45Å
434C85.1Confident85.4Confident36 Ų3658.6 Ų58.624%0.24336%0.363CS..Hα-helixtrans-60.2-41.4174.9-68.70000112.7F430 H437 A438 I446F430-C434 WeakPolarHBondContact CE1-SG 3.43Å; F430-C434 WeakPolarHBondContact CZ-SG 3.39Å; F430-C434 PolarHBondContact O-N 3.22Å; F430-C434 PolarHBondContact O-SG 3.2Å; F430-C434 VanDerWaalsContact O-SG 3.33Å; C434-H437 CarbonylContact O-C 3.23Å; C434-H437 PolarHBondContact O-N 2.84Å; C434-A438 PolarHBondContact O-N 3.16Å; C434-I446 HydrophobicContact CB-CD1 4.24Å
435S85.8Confident84.9Confident94 Ų9463.8 Ų63.866%0.65739%0.386SS*.Hα-helixtrans-66.9-36.2177.8-57.50000112.4N431 A432 F433 H437N431-S435 WeakPolarHBondContact O-CB 3.45Å; N431-S435 PolarHBondContact O-N 3.32Å; N431-S435 PolarHBondContact O-OG 2.99Å; A432-S435 PolarHBondContact O-N 3.3Å; F433-S435 VanDerWaalsContact C-N 3.33Å; F433-S435 PolarHBondContact O-N 3.3Å; S435-H437 VanDerWaalsContact C-N 3.35Å
436K84.4Confident84.6Confident153 Ų15364.6 Ų64.667%0.66539%0.39SS*.Hα-helixtrans-70.1-30.9177.1-173.3-174.8176-163.40112.3A432 F433A432-K436 WeakPolarHBondContact O-CB 3.36Å; A432-K436 PolarHBondContact O-N 2.94Å; F433-K436 PolarHBondContact O-N 3.06Å
437H82.2Confident84.4Confident29 Ų2968.9 Ų68.913%0.13442%0.415CS..THydrogen-bonded Turntrans-111.544.6-175.5-67.1-75.1000112.7F433 C434 S435 S439 G442 A443 I446 D513F433-H437 AromaticContact CD2-CD2 3.61Å; F433-H437 AromaticContact CD2-NE2 3.9Å; F433-H437 AromaticContact CE2-CD2 3.38Å; F433-H437 WeakPolarHBondContact CE2-CD2 3.49Å; F433-H437 AromaticContact CE2-NE2 3.43Å; F433-H437 WeakPolarHBondContact CE2-NE2 3.35Å; F433-H437 AromaticContact CZ-CD2 3.72Å; F433-H437 PolarHBondContact O-CD2 2.83Å; F433-H437 VanDerWaalsContact O-CD2 3.27Å; F433-H437 PolarHBondContact O-N 3.38Å; C434-H437 CarbonylContact O-C 3.23Å; C434-H437 PolarHBondContact O-N 2.84Å; S435-H437 VanDerWaalsContact C-N 3.35Å; H437-S439 PolarHBondContact O-N 3.22Å; H437-G442 CarbonylContact O-C 3.6Å; H437-A443 PolarHBondContact O-N 2.99Å; H437-I446 HydrophobicContact CB-CD1 4.03Å; H437-I446 HydrophobicContact CB-CG1 4.38Å; H437-D513 IonicContact NE2-OD2 2.62Å
438A77.3Confident84.3Confident89 Ų8972.5 Ų72.574%0.73644%0.435SS*.  trans-73.6-5-177.100000115.4C434C434-A438 PolarHBondContact O-N 3.16Å
439S86.3Confident84.2Confident71 Ų7171.7 Ų71.750%0.49743%0.429SS..SBendtrans-75.5160.7174.866.10000111.8H437 E441 G442 A443H437-S439 PolarHBondContact O-N 3.22Å; S439-E441 VanDerWaalsContact C-N 3.28Å; S439-E441 PolarHBondContact O-N 3.35Å; S439-G442 WeakPolarHBondContact O-CA 3.33Å; S439-G442 PolarHBondContact O-N 2.94Å; S439-G442 PolarHBondContact OG-N 3.26Å; S439-A443 PolarHBondContact O-N 3.47Å
440A78.4Confident84.4Confident84 Ų8471.2 Ų71.269%0.69442%0.417SS*.Hα-helixtrans-57.9-39.4177.600000112.7A443 I444A440-A443 PolarHBondContact O-N 3.11Å; A440-I444 PolarHBondContact O-N 3.33Å
441E79.9Confident84.5Confident157 Ų15774.8 Ų74.873%0.73444%0.437SS*.Hα-helixtrans-69.2-35.8174.7-65.7179.4176.800112.6S439 I444 K445S439-E441 VanDerWaalsContact C-N 3.28Å; S439-E441 PolarHBondContact O-N 3.35Å; E441-I444 PolarHBondContact O-N 3.47Å; E441-K445 PolarHBondContact O-N 3.16Å
442G82.7Confident84.7Confident3 Ų371.9 Ų71.93%0.03142%0.421CS..Hα-helixtrans-65.4-39.1174.100000112.8H437 S439 I444 K445 I446H437-G442 CarbonylContact O-C 3.6Å; S439-G442 WeakPolarHBondContact O-CA 3.33Å; S439-G442 PolarHBondContact O-N 2.94Å; S439-G442 PolarHBondContact OG-N 3.26Å; G442-I444 VanDerWaalsContact C-N 3.35Å; G442-I444 PolarHBondContact O-N 3.03Å; G442-K445 WeakPolarHBondContact O-CB 3.15Å; G442-K445 PolarHBondContact O-N 3.43Å; G442-K445 VanDerWaalsContact O-N 3.15Å; G442-I446 WeakPolarHBondContact O-CG1 2.97Å; G442-I446 PolarHBondContact O-N 3Å; G442-I446 VanDerWaalsContact O-N 3.08Å
443A84.6Confident84.9Confident46 Ų4668.8 Ų68.838%0.3840%0.395SS..Hα-helixtrans-61.6-40175.500000112.5H437 S439 A440 K445 I446 V447H437-A443 PolarHBondContact O-N 2.99Å; S439-A443 PolarHBondContact O-N 3.47Å; A440-A443 PolarHBondContact O-N 3.11Å; A443-K445 VanDerWaalsContact C-N 3.3Å; A443-K445 PolarHBondContact O-N 3.27Å; A443-I446 PolarHBondContact O-N 3.25Å; A443-V447 WeakPolarHBondContact O-CG2 3.46Å; A443-V447 PolarHBondContact O-N 3.37Å
444I86.6Confident85.2Confident104 Ų10468.7 Ų68.753%0.53339%0.394SS..Hα-helixtrans-60.9-40.9174.6-64.7168.5000110.7A440 E441 G442 I446 V447 N448A440-I444 PolarHBondContact O-N 3.33Å; E441-I444 PolarHBondContact O-N 3.47Å; G442-I444 VanDerWaalsContact C-N 3.35Å; G442-I444 PolarHBondContact O-N 3.03Å; I444-I446 PolarHBondContact O-N 3.47Å; I444-V447 PolarHBondContact O-N 2.72Å; I444-N448 WeakPolarHBondContact O-CB 3.21Å; I444-N448 PolarHBondContact O-N 3.34Å; I444-N448 PolarHBondContact O-ND2 3.37Å
445K85.1Confident85.4Confident118 Ų11870 Ų7051%0.51340%0.401SS..Hα-helixtrans-62-41.5175.5-67.8-176.2175.3-171.10112.2E441 G442 A443 N448 L449E441-K445 PolarHBondContact O-N 3.16Å; G442-K445 WeakPolarHBondContact O-CB 3.15Å; G442-K445 PolarHBondContact O-N 3.43Å; G442-K445 VanDerWaalsContact O-N 3.15Å; A443-K445 VanDerWaalsContact C-N 3.3Å; A443-K445 PolarHBondContact O-N 3.27Å; K445-N448 PolarHBondContact O-N 2.78Å; K445-L449 WeakPolarHBondContact O-CB 3.45Å; K445-L449 PolarHBondContact O-N 3.41Å
446I86.5Confident85.7Confident20 Ų2068.8 Ų68.810%0.10338%0.382CS..Hα-helixtrans-62.3-45.2176.4-63.4162000110.7F430 F433 C434 H437 G442 A443 I444 L449 L450F430-I446 HydrophobicContact CE2-CG2 3.9Å; F430-I446 HydrophobicContact CZ-CG2 3.84Å; F433-I446 HydrophobicContact CD1-CG1 3.87Å; F433-I446 HydrophobicContact CE1-CB 4.43Å; F433-I446 HydrophobicContact CE1-CG1 3.59Å; C434-I446 HydrophobicContact CB-CD1 4.24Å; H437-I446 HydrophobicContact CB-CD1 4.03Å; H437-I446 HydrophobicContact CB-CG1 4.38Å; G442-I446 WeakPolarHBondContact O-CG1 2.97Å; G442-I446 PolarHBondContact O-N 3Å; G442-I446 VanDerWaalsContact O-N 3.08Å; A443-I446 PolarHBondContact O-N 3.25Å; I444-I446 PolarHBondContact O-N 3.47Å; I446-L449 PolarHBondContact O-N 3.37Å; I446-L450 HydrophobicContact CG2-CD1 4.22Å; I446-L450 WeakPolarHBondContact O-CG 3.43Å; I446-L450 PolarHBondContact O-N 3.43Å
447V87.6Confident86.1Confident92 Ų9261.6 Ų61.656%0.55835%0.351SS*.Hα-helixtrans-63.9-44.6179.1172.80000111.2A443 I444 L449 L450 N451A443-V447 WeakPolarHBondContact O-CG2 3.46Å; A443-V447 PolarHBondContact O-N 3.37Å; I444-V447 PolarHBondContact O-N 2.72Å; V447-L449 VanDerWaalsContact C-N 3.34Å; V447-L449 PolarHBondContact O-N 3.09Å; V447-L450 PolarHBondContact O-N 3.36Å; V447-N451 WeakPolarHBondContact O-CB 3.29Å; V447-N451 PolarHBondContact O-N 3.04Å
448N87.3Confident86.4Confident99 Ų9963 Ų6353%0.52936%0.36SS..Hα-helixtrans-63.2-40.1178.2-72.6-18.6000112.2I444 K445 N451 D452I444-N448 WeakPolarHBondContact O-CB 3.21Å; I444-N448 PolarHBondContact O-N 3.34Å; I444-N448 PolarHBondContact O-ND2 3.37Å; K445-N448 PolarHBondContact O-N 2.78Å; N448-N451 PolarHBondContact O-N 2.85Å; N448-D452 PolarHBondContact O-N 3.23Å
449L86.4Confident87.1Confident19 Ų1963.7 Ų63.710%0.09935%0.35CS..Hα-helixtrans-59.7-51.9173.9170.558.4000111.6F433 K445 I446 V447 N451 D452 V453 V510 V512 V517F433-L449 HydrophobicContact CD1-CD2 4.35Å; F433-L449 HydrophobicContact CE1-CD2 3.86Å; F433-L449 HydrophobicContact CZ-CD2 4.36Å; K445-L449 WeakPolarHBondContact O-CB 3.45Å; K445-L449 PolarHBondContact O-N 3.41Å; I446-L449 PolarHBondContact O-N 3.37Å; V447-L449 VanDerWaalsContact C-N 3.34Å; V447-L449 PolarHBondContact O-N 3.09Å; L449-N451 VanDerWaalsContact C-N 3.26Å; L449-N451 PolarHBondContact O-N 3.13Å; L449-D452 PolarHBondContact O-N 2.97Å; L449-V453 HydrophobicContact CD1-CG2 3.96Å; L449-V453 WeakPolarHBondContact O-CG2 3.39Å; L449-V453 PolarHBondContact O-N 2.92Å; L449-V510 HydrophobicContact CD1-CG1 3.94Å; L449-V512 HydrophobicContact CD1-CG2 3.17Å; L449-V512 HydrophobicContact CD2-CG1 4.37Å; L449-V512 HydrophobicContact CD2-CG2 3.49Å; L449-V512 VanDerWaalsContact CD2-CG2 3.49Å; L449-V512 HydrophobicContact CG-CG2 3.86Å; L449-V517 HydrophobicContact CD1-CG2 3.85Å
450L87.8Confident87.2Confident33 Ų3360.7 Ų60.717%0.17333%0.328CS..Hα-helixtrans-59.1-41.1178.1-73.5174.6000111.2I427 F430 I446 V447 Y454I427-L450 HydrophobicContact CD1-CD2 3.92Å; F430-L450 HydrophobicContact CE2-CD1 4.23Å; F430-L450 HydrophobicContact CE2-CD2 3.84Å; F430-L450 HydrophobicContact CE2-CG 4.12Å; F430-L450 HydrophobicContact CZ-CD1 3.97Å; F430-L450 HydrophobicContact CZ-CD2 4.22Å; F430-L450 HydrophobicContact CZ-CG 4.37Å; I446-L450 HydrophobicContact CG2-CD1 4.22Å; I446-L450 WeakPolarHBondContact O-CG 3.43Å; I446-L450 PolarHBondContact O-N 3.43Å; V447-L450 PolarHBondContact O-N 3.36Å; L450-Y454 HydrophobicContact CD2-CE2 4.37Å; L450-Y454 VanDerWaalsContact O-CB 3.23Å; L450-Y454 WeakPolarHBondContact O-CB 3.44Å; L450-Y454 VanDerWaalsContact O-CG 3.25Å; L450-Y454 PolarHBondContact O-N 3.47Å
451N88.1Confident87.7Confident101 Ų10157.2 Ų57.254%0.5430%0.298SS..Hα-helixtrans-65.5-41.8179.1-165.853.1000112.3V447 N448 L449 T455V447-N451 WeakPolarHBondContact O-CB 3.29Å; V447-N451 PolarHBondContact O-N 3.04Å; N448-N451 PolarHBondContact O-N 2.85Å; L449-N451 VanDerWaalsContact C-N 3.26Å; L449-N451 PolarHBondContact O-N 3.13Å; N451-T455 WeakPolarHBondContact O-CB 3.47Å; N451-T455 PolarHBondContact O-N 3.34Å; N451-T455 PolarHBondContact O-OG1 3.33Å
452D88.5Confident88.1Confident60 Ų6052.1 Ų52.132%0.32128%0.276SS..Hα-helixtrans-64.8-49.2176.5-172.421.3000111N448 L449 Y454 T455 R456N448-D452 PolarHBondContact O-N 3.23Å; L449-D452 PolarHBondContact O-N 2.97Å; D452-Y454 PolarHBondContact O-N 3.36Å; D452-T455 PolarHBondContact O-N 3.35Å; D452-R456 WeakPolarHBondContact O-CG 3.31Å; D452-R456 PolarHBondContact O-N 3.49Å; D452-R456 VanDerWaalsContact O-N 3.13Å; D452-R456 IonicContact OD1-CZ 3.57Å; D452-R456 IonicContact OD1-NE 3.2Å; D452-R456 PolarHBondContact OD1-NE 2.96Å; D452-R456 IonicContact OD1-NH2 3.9Å; D452-R456 PolarHBondContact OD1-NH2 3.15Å; D452-R456 IonicContact OD2-CZ 3.37Å; D452-R456 IonicContact OD2-NE 2.69Å; D452-R456 IonicContact OD2-NH2 3.76Å; D452-R456 PolarHBondContact OD2-NH2 3.17Å
453V88.8Confident87.9Confident1 Ų156 Ų561%0.00630%0.303CS..Hα-helixtrans-60-48.8178.8175.40000111L449 R456 F457 V510L449-V453 HydrophobicContact CD1-CG2 3.96Å; L449-V453 WeakPolarHBondContact O-CG2 3.39Å; L449-V453 PolarHBondContact O-N 2.92Å; V453-R456 PolarHBondContact O-N 3.18Å; V453-F457 HydrophobicContact CG1-CD2 3.94Å; V453-F457 HydrophobicContact CG1-CE1 4.23Å; V453-F457 HydrophobicContact CG1-CE2 3.39Å; V453-F457 HydrophobicContact CG1-CZ 3.55Å; V453-F457 WeakPolarHBondContact O-CG 3.35Å; V453-F457 PolarHBondContact O-N 3.32Å; V453-V510 HydrophobicContact CG2-CB 4.33Å; V453-V510 HydrophobicContact CG2-CG1 3.95Å; V453-V510 HydrophobicContact CG2-CG2 4.25Å
454Y89.9Confident87.7Confident33 Ų3364.1 Ų64.113%0.12932%0.323CS..Hα-helixtrans-71.7-34.4-177.9-68.2-9000113L450 D452 R456 F457 D458 D477 Y479L450-Y454 HydrophobicContact CD2-CE2 4.37Å; L450-Y454 VanDerWaalsContact O-CB 3.23Å; L450-Y454 WeakPolarHBondContact O-CB 3.44Å; L450-Y454 VanDerWaalsContact O-CG 3.25Å; L450-Y454 PolarHBondContact O-N 3.47Å; D452-Y454 PolarHBondContact O-N 3.36Å; Y454-R456 VanDerWaalsContact C-N 3.28Å; Y454-R456 PolarHBondContact O-N 3.43Å; Y454-F457 HydrophobicContact CD1-CD2 4.16Å; Y454-F457 PolarHBondContact O-N 2.61Å; Y454-D458 VanDerWaalsContact O-CB 3.3Å; Y454-D458 WeakPolarHBondContact O-CB 3.49Å; Y454-D458 PolarHBondContact O-N 3.29Å; Y454-D477 PolarHBondContact OH-O 3.21Å; Y454-Y479 AromaticContact CD1-CD2 3.53Å; Y454-Y479 HydrophobicContact CD1-CD2 3.53Å; Y454-Y479 HydrophobicContact CD1-CE2 4.2Å; Y454-Y479 HydrophobicContact CD1-CG 4.34Å; Y454-Y479 AromaticContact CE1-CD2 3.76Å; Y454-Y479 HydrophobicContact CE1-CD2 3.76Å; Y454-Y479 HydrophobicContact CE1-CG 4.28Å; Y454-Y479 AromaticContact CG-CD2 3.99Å; Y454-Y479 HydrophobicContact CG-CD2 3.99Å; Y454-Y479 HydrophobicContact CG-CE2 4.33Å
455T90.1Very high87.5Confident64 Ų6465.4 Ų65.439%0.39333%0.325SS..Hα-helixtrans-60.9-41.9174-62.40000110.5N451 D452 D458 I459N451-T455 WeakPolarHBondContact O-CB 3.47Å; N451-T455 PolarHBondContact O-N 3.34Å; N451-T455 PolarHBondContact O-OG1 3.33Å; D452-T455 PolarHBondContact O-N 3.35Å; T455-D458 PolarHBondContact O-N 2.73Å; T455-I459 HydrophobicContact CG2-CD1 4.47Å; T455-I459 WeakPolarHBondContact O-CG1 3.49Å; T455-I459 PolarHBondContact O-N 3.5Å; T455-I459 VanDerWaalsContact O-N 3.09Å
456R91.1Very high87.5Confident69 Ų6961.1 Ų61.126%0.2631%0.308SS..Hα-helixtrans-69-38.1177.2-62.4179.1-166.4-151.110.2112.5D452 V453 Y454 D458 I459 L460 I506D452-R456 WeakPolarHBondContact O-CG 3.31Å; D452-R456 PolarHBondContact O-N 3.49Å; D452-R456 VanDerWaalsContact O-N 3.13Å; D452-R456 IonicContact OD1-CZ 3.57Å; D452-R456 IonicContact OD1-NE 3.2Å; D452-R456 PolarHBondContact OD1-NE 2.96Å; D452-R456 IonicContact OD1-NH2 3.9Å; D452-R456 PolarHBondContact OD1-NH2 3.15Å; D452-R456 IonicContact OD2-CZ 3.37Å; D452-R456 IonicContact OD2-NE 2.69Å; D452-R456 IonicContact OD2-NH2 3.76Å; D452-R456 PolarHBondContact OD2-NH2 3.17Å; V453-R456 PolarHBondContact O-N 3.18Å; Y454-R456 VanDerWaalsContact C-N 3.28Å; Y454-R456 PolarHBondContact O-N 3.43Å; R456-D458 VanDerWaalsContact C-N 3.33Å; R456-I459 PolarHBondContact O-N 3.46Å; R456-L460 PolarHBondContact O-N 2.88Å; R456-I506 HydrophobicContact CB-CG2 3.58Å; R456-I506 HydrophobicContact CG-CG2 4.25Å
457F92.1Very high87.4Confident2 Ų264.4 Ų64.41%0.00933%0.33CS..Hα-helixtrans-66.8-34.8173-65.1-13.8000112.4V453 Y454 I459 L460 T461 Y479 M503 A507 I519V453-F457 HydrophobicContact CG1-CD2 3.94Å; V453-F457 HydrophobicContact CG1-CE1 4.23Å; V453-F457 HydrophobicContact CG1-CE2 3.39Å; V453-F457 HydrophobicContact CG1-CZ 3.55Å; V453-F457 WeakPolarHBondContact O-CG 3.35Å; V453-F457 PolarHBondContact O-N 3.32Å; Y454-F457 HydrophobicContact CD1-CD2 4.16Å; Y454-F457 PolarHBondContact O-N 2.61Å; F457-I459 VanDerWaalsContact C-N 3.31Å; F457-I459 PolarHBondContact O-N 2.98Å; F457-L460 WeakPolarHBondContact O-CB 3.43Å; F457-L460 PolarHBondContact O-N 3.05Å; F457-L460 VanDerWaalsContact O-N 3.11Å; F457-T461 WeakPolarHBondContact O-CG2 3.46Å; F457-T461 PolarHBondContact O-N 3.02Å; F457-T461 PolarHBondContact O-OG1 3.2Å; F457-Y479 HydrophobicContact CB-CD1 4.28Å; F457-Y479 HydrophobicContact CB-CD2 4.38Å; F457-Y479 HydrophobicContact CB-CE1 3.73Å; F457-Y479 HydrophobicContact CB-CE2 3.86Å; F457-Y479 AromaticContact CD2-CD1 3.93Å; F457-Y479 HydrophobicContact CD2-CD1 3.93Å; F457-Y479 AromaticContact CD2-CD2 4Å; F457-Y479 HydrophobicContact CD2-CD2 4Å; F457-Y479 HydrophobicContact CD2-CE1 4.25Å; F457-Y479 HydrophobicContact CD2-CE2 4.32Å; F457-Y479 AromaticContact CD2-CG 3.78Å; F457-Y479 HydrophobicContact CD2-CG 3.78Å; F457-Y479 HydrophobicContact CG-CD1 4.49Å; F457-Y479 HydrophobicContact CG-CE1 4.39Å; F457-Y479 PolarHBondContact O-OH 3.23Å; F457-M503 HydrophobicContact CB-CE 4.48Å; F457-M503 HydrophobicContact CD1-CB 4.37Å; F457-M503 HydrophobicContact CD1-CE 4.02Å; F457-M503 HydrophobicContact CD1-CG 3.93Å; F457-M503 HydrophobicContact CD2-CE 3.42Å; F457-M503 VanDerWaalsContact CD2-CE 3.42Å; F457-M503 HydrophobicContact CE1-CB 3.93Å; F457-M503 HydrophobicContact CE1-CE 4.01Å; F457-M503 HydrophobicContact CE1-CG 4Å; F457-M503 HydrophobicContact CE2-CE 3.4Å; F457-M503 HydrophobicContact CG-CE 3.73Å; F457-M503 HydrophobicContact CG-CG 4.43Å; F457-M503 HydrophobicContact CZ-CB 4.35Å; F457-M503 HydrophobicContact CZ-CE 3.72Å; F457-A507 HydrophobicContact CZ-CB 4.44Å; F457-I519 HydrophobicContact CZ-CD1 3.96Å
458D90.1Very high87.4Confident59 Ų5965.5 Ų65.532%0.31633%0.325SS..Hα-helixtrans-65.5-35.8175.9-72.7-1.9000111.3Y454 T455 R456 L460 T461 D462 K471 Y479Y454-D458 VanDerWaalsContact O-CB 3.3Å; Y454-D458 WeakPolarHBondContact O-CB 3.49Å; Y454-D458 PolarHBondContact O-N 3.29Å; T455-D458 PolarHBondContact O-N 2.73Å; R456-D458 VanDerWaalsContact C-N 3.33Å; D458-L460 VanDerWaalsContact C-N 3.32Å; D458-L460 PolarHBondContact O-N 3.45Å; D458-T461 WeakPolarHBondContact CA-OG1 3.46Å; D458-T461 CarbonylContact O-C 3.42Å; D458-T461 PolarHBondContact O-N 2.89Å; D458-T461 PolarHBondContact O-OG1 3.1Å; D458-D462 PolarHBondContact O-N 3.42Å; D458-K471 VanDerWaalsContact OD1-CD 3.26Å; D458-K471 WeakPolarHBondContact OD1-CD 3.5Å; D458-K471 VanDerWaalsContact OD1-CE 3.25Å; D458-K471 WeakPolarHBondContact OD1-CE 3.49Å; D458-K471 IonicContact OD1-NZ 3.83Å; D458-K471 PolarHBondContact OD1-NZ 3.06Å; D458-K471 IonicContact OD2-NZ 3.81Å; D458-K471 PolarHBondContact OD2-NZ 3.32Å; D458-Y479 PolarHBondContact N-OH 3.45Å; D458-Y479 WeakPolarHBondContact OD1-CE2 3.25Å; D458-Y479 PolarHBondContact OD1-OH 2.96Å
459I90.5Very high87.6Confident103 Ų10361.2 Ų61.253%0.52830%0.303SS..Hα-helixtrans-64.7-35.9171.8-65.9163.8000111.5T455 R456 F457 T461T455-I459 HydrophobicContact CG2-CD1 4.47Å; T455-I459 WeakPolarHBondContact O-CG1 3.49Å; T455-I459 PolarHBondContact O-N 3.5Å; T455-I459 VanDerWaalsContact O-N 3.09Å; R456-I459 PolarHBondContact O-N 3.46Å; F457-I459 VanDerWaalsContact C-N 3.31Å; F457-I459 PolarHBondContact O-N 2.98Å; I459-T461 VanDerWaalsContact C-N 3.33Å
460L89.9Confident87.7Confident7 Ų762.2 Ų62.24%0.03731%0.305CS..Hα-helixtrans-70.8-29.8175.4-68.3-174.6000113.1R456 F457 D458 L499 D502 M503 I506R456-L460 PolarHBondContact O-N 2.88Å; F457-L460 WeakPolarHBondContact O-CB 3.43Å; F457-L460 PolarHBondContact O-N 3.05Å; F457-L460 VanDerWaalsContact O-N 3.11Å; D458-L460 VanDerWaalsContact C-N 3.32Å; D458-L460 PolarHBondContact O-N 3.45Å; L460-L499 HydrophobicContact CB-CD1 3.7Å; L460-L499 HydrophobicContact CD1-CD1 4.07Å; L460-D502 HydrophobicContact CD1-CB 3.81Å; L460-D502 HydrophobicContact CD2-CB 4.28Å; L460-M503 HydrophobicContact CD1-CG 3.9Å; L460-I506 HydrophobicContact CD1-CD1 3.74Å; L460-I506 HydrophobicContact CD1-CG1 4.47Å; L460-I506 HydrophobicContact CD2-CD1 3.66Å; L460-I506 HydrophobicContact CG-CD1 3.74Å
461T89.1Confident87.9Confident12 Ų1263.9 Ų63.97%0.07431%0.311CS..Hα-helixtrans-994.4-177.857.90000113.4F457 D458 I459 S463 V469 Y479 T481 L499F457-T461 WeakPolarHBondContact O-CG2 3.46Å; F457-T461 PolarHBondContact O-N 3.02Å; F457-T461 PolarHBondContact O-OG1 3.2Å; D458-T461 WeakPolarHBondContact CA-OG1 3.46Å; D458-T461 CarbonylContact O-C 3.42Å; D458-T461 PolarHBondContact O-N 2.89Å; D458-T461 PolarHBondContact O-OG1 3.1Å; I459-T461 VanDerWaalsContact C-N 3.33Å; T461-S463 PolarHBondContact O-N 3.05Å; T461-V469 HydrophobicContact CG2-CG1 4.2Å; T461-Y479 HydrophobicContact CG2-CE1 4.32Å; T461-Y479 PolarHBondContact OG1-OH 3.1Å; T461-T481 HydrophobicContact CG2-CG2 3.75Å; T461-L499 HydrophobicContact CG2-CD1 4.08Å; T461-L499 HydrophobicContact CG2-CD2 3.91Å
462D86.4Confident87.8Confident50 Ų5059.5 Ų59.527%0.26729%0.288SS..  trans-56.2125.8173.3-175.7-15000109.1D458 R464 K465 N466D458-D462 PolarHBondContact O-N 3.42Å; D462-R464 PolarHBondContact O-N 3.13Å; D462-R464 PolarHBondContact OD1-N 3.18Å; D462-R464 IonicContact OD1-NE 2.79Å; D462-R464 IonicContact OD2-CZ 2.99Å; D462-R464 IonicContact OD2-NE 3.11Å; D462-R464 PolarHBondContact OD2-NE 2.88Å; D462-R464 IonicContact OD2-NH2 2.94Å; D462-R464 PolarHBondContact OD2-NH2 3.3Å; D462-K465 PolarHBondContact O-N 2.97Å; D462-N466 PolarHBondContact O-N 3.4Å
463S78.7Confident87.4Confident84 Ų8461 Ų6159%0.58729%0.293SS*.THydrogen-bonded Turntrans-47.5-29.1175.559.80000114.4T461 P467T461-S463 PolarHBondContact O-N 3.05Å; S463-P467 WeakPolarHBondContact O-CA 3.36Å
464R81.9Confident86.4Confident216 Ų21663.1 Ų63.182%0.81531%0.306SS*.THydrogen-bonded Turntrans-73-31.2176.1-67.8-179.2-66.9-174.91.7113.3D462D462-R464 PolarHBondContact O-N 3.13Å; D462-R464 PolarHBondContact OD1-N 3.18Å; D462-R464 IonicContact OD1-NE 2.79Å; D462-R464 IonicContact OD2-CZ 2.99Å; D462-R464 IonicContact OD2-NE 3.11Å; D462-R464 PolarHBondContact OD2-NE 2.88Å; D462-R464 IonicContact OD2-NH2 2.94Å; D462-R464 PolarHBondContact OD2-NH2 3.3Å
465K81.9Confident85.3Confident132 Ų13266.6 Ų66.657%0.57433%0.33SS*.THydrogen-bonded Turntrans-92.9-39.8-179.3-170.1178.5-179.5-175.20111.5D462D462-K465 PolarHBondContact O-N 2.97Å
466N83.9Confident84.4Confident28 Ų2866.7 Ų66.715%0.1534%0.344CS..  trans-136.783.3-179.3-163.1-12.7000110.9D462 Y468 V469D462-N466 PolarHBondContact O-N 3.4Å; N466-Y468 PolarHBondContact O-N 3.26Å; N466-Y468 VanDerWaalsContact O-N 3.09Å; N466-V469 VanDerWaalsContact ND2-CG2 3.34Å; N466-V469 WeakPolarHBondContact ND2-CG2 3.26Å; N466-V469 PolarHBondContact O-N 2.96Å
467P84.5Confident83.5Confident88 Ų8865 Ų6557%0.57134%0.34SS*.THydrogen-bonded Turntrans-67.3-13.3-173.926.2-34.2000113.8S463S463-P467 WeakPolarHBondContact O-CA 3.36Å
468Y88.3Confident83.2Confident115 Ų11566.5 Ų66.545%0.45135%0.347SS..THydrogen-bonded Turntrans-98.2-1.5-175.2-54.1-72.1000113.8N466 S483 C489 H491N466-Y468 PolarHBondContact O-N 3.26Å; N466-Y468 VanDerWaalsContact O-N 3.09Å; Y468-S483 VanDerWaalsContact O-CB 3.26Å; Y468-S483 WeakPolarHBondContact O-CB 3.26Å; Y468-S483 PolarHBondContact O-OG 3.04Å; Y468-C489 HydrophobicContact CD1-CB 4.42Å; Y468-H491 AromaticContact CD1-CE1 3.67Å; Y468-H491 AromaticContact CD2-CE1 3.49Å; Y468-H491 VanDerWaalsContact CD2-CE1 3.49Å; Y468-H491 WeakPolarHBondContact CD2-CE1 3.48Å; Y468-H491 AromaticContact CE1-CE1 3.75Å; Y468-H491 AromaticContact CE1-NE2 3.92Å; Y468-H491 AromaticContact CE2-CE1 3.56Å; Y468-H491 AromaticContact CG-CE1 3.53Å; Y468-H491 AromaticContact CZ-CE1 3.69Å; Y468-H491 AromaticContact CZ-NE2 3.78Å
469V90.8Very high83.2Confident9 Ų963.7 Ų63.76%0.05533%0.332CS..EExtended strand (participates in β ladder)trans-115.4132.6177.7179.30000109.5T461 N466 T481 I496 L499T461-V469 HydrophobicContact CG2-CG1 4.2Å; N466-V469 VanDerWaalsContact ND2-CG2 3.34Å; N466-V469 WeakPolarHBondContact ND2-CG2 3.26Å; N466-V469 PolarHBondContact O-N 2.96Å; V469-T481 HydrophobicContact CG1-CG2 4.36Å; V469-I496 HydrophobicContact CG1-CD1 4.14Å; V469-I496 HydrophobicContact CG2-CD1 4.1Å; V469-L499 HydrophobicContact CG1-CD2 3.83Å
470Y90Very high83.3Confident40 Ų4059.1 Ų59.116%0.15731%0.309CS..EExtended strand (participates in β ladder)trans-116.6130.2175.6-179.5-106000110.1V397 P399 V472 T481 V482 Y540V397-Y470 PolarHBondContact O-OH 3.25Å; P399-Y470 HydrophobicContact CB-CD2 4.32Å; P399-Y470 HydrophobicContact CB-CE2 3.94Å; P399-Y470 VanDerWaalsContact CD-OH 3.26Å; P399-Y470 WeakPolarHBondContact CD-OH 3.44Å; P399-Y470 HydrophobicContact CG-CD2 4.28Å; P399-Y470 HydrophobicContact CG-CE1 3.95Å; P399-Y470 HydrophobicContact CG-CE2 3.66Å; P399-Y470 VanDerWaalsContact CG-CZ 3.49Å; Y470-V472 HydrophobicContact CD1-CG2 4.1Å; Y470-V472 HydrophobicContact CE1-CG2 4.3Å; Y470-T481 WeakPolarHBondContact O-CA 3.42Å; Y470-V482 HydrophobicContact CD1-CG1 4.12Å; Y470-V482 PolarHBondContact N-O 2.74Å; Y470-V482 PolarHBondContact O-N 2.85Å; Y470-Y540 AromaticContact CE1-CD1 3.9Å; Y470-Y540 HydrophobicContact CE1-CD1 3.9Å; Y470-Y540 HydrophobicContact CE1-CE1 4.46Å
471K90.3Very high83.5Confident69 Ų6958.8 Ų58.830%0.331%0.307SS..EExtended strand (participates in β ladder)trans-78.4125.9171.8177.9-170.4177.8178.40109.4D458 Y479D458-K471 VanDerWaalsContact OD1-CD 3.26Å; D458-K471 WeakPolarHBondContact OD1-CD 3.5Å; D458-K471 VanDerWaalsContact OD1-CE 3.25Å; D458-K471 WeakPolarHBondContact OD1-CE 3.49Å; D458-K471 IonicContact OD1-NZ 3.83Å; D458-K471 PolarHBondContact OD1-NZ 3.06Å; D458-K471 IonicContact OD2-NZ 3.81Å; D458-K471 PolarHBondContact OD2-NZ 3.32Å; K471-Y479 HydrophobicContact CD-CE2 4.22Å; K471-Y479 HydrophobicContact CG-CE2 4.49Å
472V87Confident83.7Confident8 Ų858.2 Ų58.25%0.04830%0.303CS..PPolyproline II helixtrans-95.7156.4174.5-1780000109.1Y470 T474 M480 V482 L542Y470-V472 HydrophobicContact CD1-CG2 4.1Å; Y470-V472 HydrophobicContact CE1-CG2 4.3Å; V472-T474 PolarHBondContact O-N 3.37Å; V472-M480 HydrophobicContact CB-CB 4.4Å; V472-M480 HydrophobicContact CB-CE 4.33Å; V472-M480 HydrophobicContact CB-CG 4.06Å; V472-M480 HydrophobicContact CB-SD 3.95Å; V472-M480 HydrophobicContact CG1-CE 4.21Å; V472-M480 HydrophobicContact CG1-SD 3.82Å; V472-M480 HydrophobicContact CG2-CE 4.28Å; V472-M480 PolarHBondContact N-O 3.15Å; V472-V482 HydrophobicContact CG2-CB 4.23Å; V472-V482 HydrophobicContact CG2-CG1 3.62Å; V472-L542 HydrophobicContact CB-CD1 4.38Å; V472-L542 HydrophobicContact CG1-CD1 3.72Å; V472-L542 HydrophobicContact CG2-CD1 3.65Å; V472-L542 HydrophobicContact CG2-CD2 4.18Å
473E79Confident84Confident92 Ų9255.9 Ų55.943%0.4329%0.291SS..PPolyproline II helixtrans-51.4126.7170.6-168.4180-179.100110.4R539E473-R539 IonicContact OE1-CZ 3.28Å; E473-R539 IonicContact OE1-NE 2.88Å; E473-R539 IonicContact OE1-NH1 2.87Å; E473-R539 PolarHBondContact OE1-NH1 2.99Å; E473-R539 IonicContact OE1-NH2 3.61Å; E473-R539 VanDerWaalsContact OE2-CD 3.27Å; E473-R539 WeakPolarHBondContact OE2-CD 3.48Å; E473-R539 IonicContact OE2-CZ 2.81Å; E473-R539 IonicContact OE2-NE 3.79Å; E473-R539 IonicContact OE2-NH1 3.63Å; E473-R539 PolarHBondContact OE2-NH1 3.45Å
474T68.9Low84.5Confident46 Ų4652 Ų5228%0.28226%0.264SS..PPolyproline II helixtrans-75.5151-176.651.90000111.3V472 K478 Y479V472-T474 PolarHBondContact O-N 3.37Å; T474-K478 VanDerWaalsContact CB-O 3.24Å; T474-K478 WeakPolarHBondContact CB-O 3.32Å; T474-K478 WeakPolarHBondContact CG2-O 3.43Å; T474-Y479 HydrophobicContact CG2-CD2 4.05Å
475V66.9Low84.8Confident105 Ų10541.9 Ų41.964%0.63623%0.226SC*.BIsolated β-bridgetrans-115104.5175.8-177.50000108.2D477 K478V475-D477 PolarHBondContact O-N 2.86Å; V475-K478 PolarHBondContact O-N 2.9Å
476G70.1Confident84.5Confident66 Ų6636.7 Ų36.768%0.6821%0.206SC*.THydrogen-bonded Turntrans67-125-178.900000112.8K478G476-K478 VanDerWaalsContact C-N 3.3Å
477D73.2Confident84.5Confident34 Ų3442.3 Ų42.318%0.18223%0.231CC..THydrogen-bonded Turntrans-88.56.4-178.668-38.3000113.9F430 Y454 V475F430-D477 HydrophobicContact CD1-CB 3.32Å; F430-D477 WeakPolarHBondContact CD1-OD2 3.37Å; F430-D477 HydrophobicContact CD2-CB 4.48Å; F430-D477 HydrophobicContact CE1-CB 3.41Å; F430-D477 VanDerWaalsContact CE1-CB 3.41Å; F430-D477 HydrophobicContact CG-CB 3.91Å; F430-D477 HydrophobicContact CZ-CB 4.05Å; Y454-D477 PolarHBondContact OH-O 3.21Å; V475-D477 PolarHBondContact O-N 2.86Å
478K85.6Confident84.6Confident33 Ų3343 Ų4314%0.14324%0.235CC..EExtended strand (participates in β ladder)trans-103.7125.7-174.9-50.7-169.7-178-156.60111.9F424 S425 T474 V475 G476 S551 E554F424-K478 HydrophobicContact CD1-CB 3.91Å; F424-K478 HydrophobicContact CD1-CD 4.08Å; F424-K478 HydrophobicContact CE1-CB 4.38Å; S425-K478 CarbonylContact O-C 3.41Å; S425-K478 VanDerWaalsContact O-CA 3.31Å; S425-K478 WeakPolarHBondContact O-CA 3.5Å; T474-K478 VanDerWaalsContact CB-O 3.24Å; T474-K478 WeakPolarHBondContact CB-O 3.32Å; T474-K478 WeakPolarHBondContact CG2-O 3.43Å; V475-K478 PolarHBondContact O-N 2.9Å; G476-K478 VanDerWaalsContact C-N 3.3Å; K478-S551 PolarHBondContact NZ-OG 3.1Å; K478-E554 WeakPolarHBondContact CE-OE2 3.34Å; K478-E554 IonicContact NZ-OE2 2.67Å; K478-E554 PolarHBondContact NZ-OE2 2.97Å
479Y90.8Very high84.6Confident1 Ų138.4 Ų38.40%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-85.3125.3172-163.7-96.4000109.9F424 S425 Y454 F457 D458 T461 K471 T474 T481 M503F424-Y479 WeakPolarHBondContact CA-O 3.4Å; S425-Y479 PolarHBondContact N-O 2.66Å; S425-Y479 PolarHBondContact O-N 3.38Å; Y454-Y479 AromaticContact CD1-CD2 3.53Å; Y454-Y479 HydrophobicContact CD1-CD2 3.53Å; Y454-Y479 HydrophobicContact CD1-CE2 4.2Å; Y454-Y479 HydrophobicContact CD1-CG 4.34Å; Y454-Y479 AromaticContact CE1-CD2 3.76Å; Y454-Y479 HydrophobicContact CE1-CD2 3.76Å; Y454-Y479 HydrophobicContact CE1-CG 4.28Å; Y454-Y479 AromaticContact CG-CD2 3.99Å; Y454-Y479 HydrophobicContact CG-CD2 3.99Å; Y454-Y479 HydrophobicContact CG-CE2 4.33Å; F457-Y479 HydrophobicContact CB-CD1 4.28Å; F457-Y479 HydrophobicContact CB-CD2 4.38Å; F457-Y479 HydrophobicContact CB-CE1 3.73Å; F457-Y479 HydrophobicContact CB-CE2 3.86Å; F457-Y479 AromaticContact CD2-CD1 3.93Å; F457-Y479 HydrophobicContact CD2-CD1 3.93Å; F457-Y479 AromaticContact CD2-CD2 4Å; F457-Y479 HydrophobicContact CD2-CD2 4Å; F457-Y479 HydrophobicContact CD2-CE1 4.25Å; F457-Y479 HydrophobicContact CD2-CE2 4.32Å; F457-Y479 AromaticContact CD2-CG 3.78Å; F457-Y479 HydrophobicContact CD2-CG 3.78Å; F457-Y479 HydrophobicContact CG-CD1 4.49Å; F457-Y479 HydrophobicContact CG-CE1 4.39Å; F457-Y479 PolarHBondContact O-OH 3.23Å; D458-Y479 PolarHBondContact N-OH 3.45Å; D458-Y479 WeakPolarHBondContact OD1-CE2 3.25Å; D458-Y479 PolarHBondContact OD1-OH 2.96Å; T461-Y479 HydrophobicContact CG2-CE1 4.32Å; T461-Y479 PolarHBondContact OG1-OH 3.1Å; K471-Y479 HydrophobicContact CD-CE2 4.22Å; K471-Y479 HydrophobicContact CG-CE2 4.49Å; T474-Y479 HydrophobicContact CG2-CD2 4.05Å; Y479-T481 HydrophobicContact CD1-CG2 3.81Å; Y479-T481 HydrophobicContact CE1-CG2 3.33Å; Y479-M503 HydrophobicContact CD1-CE 3.66Å; Y479-M503 HydrophobicContact CE1-CE 4.22Å; Y479-M503 HydrophobicContact CG-CE 4.39Å
480M92.2Very high84.6Confident7 Ų742 Ų423%0.03424%0.242CC..EExtended strand (participates in β ladder)trans-117.6124-175.1-175.4-177.717300110.9I422 L423 F424 V472 L542 V547I422-M480 HydrophobicContact CD1-CE 4.42Å; I422-M480 HydrophobicContact CG2-CE 3.74Å; I422-M480 HydrophobicContact CG2-CG 4.32Å; L423-M480 WeakPolarHBondContact O-CA 3.48Å; F424-M480 HydrophobicContact CD1-CB 4.31Å; F424-M480 HydrophobicContact CE1-CB 3.98Å; F424-M480 HydrophobicContact CE1-CG 4.04Å; F424-M480 HydrophobicContact CE1-SD 4.1Å; F424-M480 HydrophobicContact CE2-CE 4.45Å; F424-M480 HydrophobicContact CE2-CG 4.31Å; F424-M480 HydrophobicContact CE2-SD 4.24Å; F424-M480 HydrophobicContact CZ-CB 4.38Å; F424-M480 HydrophobicContact CZ-CE 4.33Å; F424-M480 HydrophobicContact CZ-CG 3.93Å; F424-M480 HydrophobicContact CZ-SD 3.61Å; V472-M480 HydrophobicContact CB-CB 4.4Å; V472-M480 HydrophobicContact CB-CE 4.33Å; V472-M480 HydrophobicContact CB-CG 4.06Å; V472-M480 HydrophobicContact CB-SD 3.95Å; V472-M480 HydrophobicContact CG1-CE 4.21Å; V472-M480 HydrophobicContact CG1-SD 3.82Å; V472-M480 HydrophobicContact CG2-CE 4.28Å; V472-M480 PolarHBondContact N-O 3.15Å; M480-L542 HydrophobicContact CE-CB 4.32Å; M480-L542 HydrophobicContact CE-CD2 3.87Å; M480-V547 HydrophobicContact CE-CG1 4.23Å
481T93.2Very high84.6Confident0 Ų042.5 Ų42.50%025%0.246CC..EExtended strand (participates in β ladder)trans-130.3152.9174.456.30000110.7L423 T461 V469 Y470 Y479 L499L423-T481 WeakPolarHBondContact CB-OG1 3.26Å; L423-T481 PolarHBondContact N-O 2.61Å; L423-T481 PolarHBondContact O-N 3.49Å; L423-T481 VanDerWaalsContact O-N 3.09Å; T461-T481 HydrophobicContact CG2-CG2 3.75Å; V469-T481 HydrophobicContact CG1-CG2 4.36Å; Y470-T481 WeakPolarHBondContact O-CA 3.42Å; Y479-T481 HydrophobicContact CD1-CG2 3.81Å; Y479-T481 HydrophobicContact CE1-CG2 3.33Å; T481-L499 HydrophobicContact CG2-CD2 4.01Å; T481-L499 WeakPolarHBondContact OG1-CD2 3.35Å
482V93.6Very high84.8Confident0 Ų039.6 Ų39.60%023%0.233CC..EExtended strand (participates in β ladder)trans-139.5146.9-176.270.20000111.1V420 T421 I422 Y470 V472 L485 L542V420-V482 HydrophobicContact CG1-CG2 3.16Å; T421-V482 WeakPolarHBondContact O-CA 3.16Å; I422-V482 HydrophobicContact CG1-CG2 4.06Å; Y470-V482 HydrophobicContact CD1-CG1 4.12Å; Y470-V482 PolarHBondContact N-O 2.74Å; Y470-V482 PolarHBondContact O-N 2.85Å; V472-V482 HydrophobicContact CG2-CB 4.23Å; V472-V482 HydrophobicContact CG2-CG1 3.62Å; V482-L485 HydrophobicContact CG1-CB 4.24Å; V482-L485 HydrophobicContact CG2-CB 4.47Å; V482-L485 HydrophobicContact CG2-CD1 3.94Å; V482-L485 HydrophobicContact CG2-CG 4.46Å; V482-L542 HydrophobicContact CB-CD2 4.21Å; V482-L542 HydrophobicContact CG1-CD2 4.2Å; V482-L542 HydrophobicContact CG2-CD2 3.97Å
483S93.9Very high85.2Confident0 Ų039.2 Ų39.20%023%0.231CC..EExtended strand (participates in β ladder)trans-131.3148170.2-171.10000110.2V420 T421 Y468 H492 I496V420-S483 WeakPolarHBondContact CG1-O 3.43Å; T421-S483 PolarHBondContact N-O 2.94Å; T421-S483 PolarHBondContact O-N 2.74Å; Y468-S483 VanDerWaalsContact O-CB 3.26Å; Y468-S483 WeakPolarHBondContact O-CB 3.26Å; Y468-S483 PolarHBondContact O-OG 3.04Å; S483-H492 WeakPolarHBondContact CB-O 3.33Å; S483-H492 WeakPolarHBondContact OG-CA 3.24Å; S483-I496 VanDerWaalsContact CB-CG1 3.49Å
484G88.6Confident85.9Confident2 Ų237.7 Ų37.72%0.02122%0.223CC..SBendtrans92.26.3-166.400000113.8E487G484-E487 CarbonylContact C-O 3.57Å; G484-E487 VanDerWaalsContact C-O 3.3Å
485L87.1Confident87.1Confident5 Ų536.1 Ų36.13%0.02621%0.213CC..  trans-143.4147.4175.2-66172.8000109.3Y417 V420 V482 E487 V528 T530 L542Y417-L485 HydrophobicContact CD1-CD2 3.43Å; Y417-L485 VanDerWaalsContact CD1-CD2 3.43Å; Y417-L485 HydrophobicContact CD2-CD2 3.15Å; Y417-L485 HydrophobicContact CE1-CD2 3.64Å; Y417-L485 HydrophobicContact CE2-CD2 3.35Å; Y417-L485 HydrophobicContact CG-CD2 3.18Å; Y417-L485 HydrophobicContact CG-CG 4.46Å; V420-L485 HydrophobicContact CB-CD1 4.49Å; V420-L485 HydrophobicContact CG1-CD1 3.64Å; V420-L485 HydrophobicContact CG1-CG 3.93Å; V420-L485 HydrophobicContact CG2-CD1 4.03Å; V420-L485 HydrophobicContact CG2-CD2 4.15Å; V420-L485 HydrophobicContact CG2-CG 3.8Å; V482-L485 HydrophobicContact CG1-CB 4.24Å; V482-L485 HydrophobicContact CG2-CB 4.47Å; V482-L485 HydrophobicContact CG2-CD1 3.94Å; V482-L485 HydrophobicContact CG2-CG 4.46Å; L485-E487 VanDerWaalsContact C-N 3.31Å; L485-E487 PolarHBondContact N-O 3.26Å; L485-V528 HydrophobicContact CD1-CB 4.47Å; L485-V528 HydrophobicContact CD1-CG1 4.27Å; L485-T530 HydrophobicContact CD1-CG2 3.57Å; L485-T530 HydrophobicContact CD2-CG2 3.78Å; L485-T530 HydrophobicContact CG-CG2 4.31Å; L485-L542 HydrophobicContact CD1-CD2 3.72Å; L485-L542 HydrophobicContact CD1-CG 4.19Å
486P75.9Confident88.5Confident23 Ų2331.1 Ų31.115%0.14918%0.183CC..SBendcis-73.3-23.1-5.6-1.116.5000112.5P399 Y417P399-P486 HydrophobicContact CB-CB 4.24Å; P399-P486 HydrophobicContact CB-CG 3.17Å; P399-P486 HydrophobicContact CG-CG 3.67Å; Y417-P486 PolarHBondContact OH-O 3.13Å; Y417-P486 VanDerWaalsContact OH-O 3.07Å
487E85.2Confident89.6Confident146 Ų14628 Ų2868%0.68215%0.151SC*.SBendtrans-93127.7174.3-58.4-136.9156.800109.6G484 L485 C489G484-E487 CarbonylContact C-O 3.57Å; G484-E487 VanDerWaalsContact C-O 3.3Å; L485-E487 VanDerWaalsContact C-N 3.31Å; L485-E487 PolarHBondContact N-O 3.26Å; E487-C489 PolarHBondContact O-N 3.04Å
488P86.3Confident90.6Very high101 Ų10128.5 Ų28.566%0.65615%0.152SC*.  trans-57.8138.5174-23.834000111.1Y417Y417-P488 HydrophobicContact CD1-CG 4.19Å; Y417-P488 HydrophobicContact CE1-CG 3.99Å
489C88.6Confident91.1Very high19 Ų1927 Ų2713%0.12815%0.146CC..  trans-132.9137.8-178.9174.60000108.4Y468 E487 H491 H492Y468-C489 HydrophobicContact CD1-CB 4.42Å; E487-C489 PolarHBondContact O-N 3.04Å; C489-H491 PolarHBondContact SG-CE1 3.35Å; C489-H491 PolarHBondContact SG-ND1 2.87Å; C489-H492 HydrophobicContact CB-CB 4.28Å; C489-H492 PolarHBondContact O-CD2 3.03Å
490T89.2Confident91.3Very high85 Ų8527 Ų2752%0.52115%0.145SC..THydrogen-bonded Turntrans-78.6-37.7-179.648.70000112.1H492 E576 N577T490-H492 VanDerWaalsContact C-N 3.27Å; T490-H492 PolarHBondContact O-CD2 3.45Å; T490-H492 PolarHBondContact O-N 3.18Å; T490-E576 WeakPolarHBondContact CB-OE2 3.48Å; T490-N577 PolarHBondContact O-ND2 2.86Å
491H92Very high91.4Very high50 Ų5027 Ų2723%0.23115%0.146CC..THydrogen-bonded Turntrans-92.131177.757.167.9000113.1Y468 C489 A493 K494 S495 E576 N577Y468-H491 AromaticContact CD1-CE1 3.67Å; Y468-H491 AromaticContact CD2-CE1 3.49Å; Y468-H491 VanDerWaalsContact CD2-CE1 3.49Å; Y468-H491 WeakPolarHBondContact CD2-CE1 3.48Å; Y468-H491 AromaticContact CE1-CE1 3.75Å; Y468-H491 AromaticContact CE1-NE2 3.92Å; Y468-H491 AromaticContact CE2-CE1 3.56Å; Y468-H491 AromaticContact CG-CE1 3.53Å; Y468-H491 AromaticContact CZ-CE1 3.69Å; Y468-H491 AromaticContact CZ-NE2 3.78Å; C489-H491 PolarHBondContact SG-CE1 3.35Å; C489-H491 PolarHBondContact SG-ND1 2.87Å; H491-A493 PolarHBondContact O-N 3.42Å; H491-K494 HydrophobicContact CB-CB 4.34Å; H491-K494 WeakPolarHBondContact O-CB 3.46Å; H491-K494 PolarHBondContact O-N 2.84Å; H491-S495 PolarHBondContact ND1-OG 3.03Å; H491-S495 PolarHBondContact O-N 3.43Å; H491-S495 PolarHBondContact O-OG 3.14Å; H491-E576 WeakPolarHBondContact CB-O 3.27Å; H491-N577 WeakPolarHBondContact CA-OD1 3.31Å; H491-N577 PolarHBondContact O-OD1 2.86Å
492H93.7Very high91.4Very high9 Ų929.5 Ų29.54%0.04216%0.159CC..Hα-helixtrans-59.9-41-174.561.687.6000113.4T421 S483 C489 T490 I496 N577T421-H492 PolarHBondContact OG1-CE1 2.95Å; T421-H492 VanDerWaalsContact OG1-CE1 3.29Å; T421-H492 PolarHBondContact OG1-ND1 2.65Å; S483-H492 WeakPolarHBondContact CB-O 3.33Å; S483-H492 WeakPolarHBondContact OG-CA 3.24Å; C489-H492 HydrophobicContact CB-CB 4.28Å; C489-H492 PolarHBondContact O-CD2 3.03Å; T490-H492 VanDerWaalsContact C-N 3.27Å; T490-H492 PolarHBondContact O-CD2 3.45Å; T490-H492 PolarHBondContact O-N 3.18Å; H492-I496 WeakPolarHBondContact O-CG1 3.23Å; H492-I496 PolarHBondContact O-N 3.1Å; H492-N577 PolarHBondContact N-OD1 3.33Å
493A94.8Very high91.4Very high0 Ų029.5 Ų29.50%016%0.159CC..Hα-helixtrans-70.1-39.3179.600000111.1T421 H491 I496 C497 T568 C571 L572 N577T421-A493 WeakPolarHBondContact OG1-CA 3.39Å; H491-A493 PolarHBondContact O-N 3.42Å; A493-I496 PolarHBondContact O-N 3.29Å; A493-C497 WeakPolarHBondContact O-CB 3.36Å; A493-C497 PolarHBondContact O-N 2.91Å; A493-C497 PolarHBondContact O-SG 3.16Å; A493-T568 HydrophobicContact CB-CG2 4.31Å; A493-C571 HydrophobicContact CB-CB 4.06Å; A493-L572 HydrophobicContact CB-CD2 4.17Å; A493-N577 HydrophobicContact CB-CB 4.31Å; A493-N577 WeakPolarHBondContact CB-OD1 3.47Å; A493-N577 PolarHBondContact N-OD1 2.98Å
494K94.3Very high91.3Very high60 Ų6032 Ų3226%0.26117%0.172SC..Hα-helixtrans-60.5-47.3175.4175.9172.8178.2156.50112.2H491 I496 C497 H498 N577 D579 F582H491-K494 HydrophobicContact CB-CB 4.34Å; H491-K494 WeakPolarHBondContact O-CB 3.46Å; H491-K494 PolarHBondContact O-N 2.84Å; K494-I496 VanDerWaalsContact C-N 3.32Å; K494-I496 PolarHBondContact O-N 3.32Å; K494-C497 PolarHBondContact O-N 3.07Å; K494-H498 PolarHBondContact O-CD2 3Å; K494-H498 PolarHBondContact O-N 3.02Å; K494-N577 HydrophobicContact CB-CB 4.34Å; K494-N577 PolarHBondContact N-OD1 3.46Å; K494-D579 HydrophobicContact CD-CB 4.48Å; K494-D579 WeakPolarHBondContact CE-OD2 3.32Å; K494-D579 IonicContact NZ-OD2 3.77Å; K494-D579 PolarHBondContact NZ-OD2 3.45Å; K494-F582 HydrophobicContact CB-CE2 4.48Å; K494-F582 HydrophobicContact CG-CE2 4.15Å; K494-F582 HydrophobicContact CG-CZ 4.22Å
495S93.6Very high91.4Very high12 Ų1236.7 Ų36.78%0.08419%0.193CC..Hα-helixtrans-60.9-40.3179.3-64.80000112.3H491 L499H491-S495 PolarHBondContact ND1-OG 3.03Å; H491-S495 PolarHBondContact O-N 3.43Å; H491-S495 PolarHBondContact O-OG 3.14Å; S495-L499 PolarHBondContact O-N 3.45Å; S495-L499 VanDerWaalsContact O-N 3.08Å
496I95.9Very high91.6Very high0 Ų038 Ų380%020%0.2CC..Hα-helixtrans-70.4-38.1176.6-69.9-68.3000112.1T421 L423 V469 S483 H492 A493 K494 L499 A500 I523T421-I496 HydrophobicContact CG2-CB 3.88Å; T421-I496 HydrophobicContact CG2-CG1 4.02Å; T421-I496 HydrophobicContact CG2-CG2 3.83Å; L423-I496 HydrophobicContact CB-CD1 4.49Å; L423-I496 HydrophobicContact CB-CG2 3.69Å; L423-I496 HydrophobicContact CD1-CG2 3.8Å; L423-I496 HydrophobicContact CG-CG2 4.37Å; V469-I496 HydrophobicContact CG1-CD1 4.14Å; V469-I496 HydrophobicContact CG2-CD1 4.1Å; S483-I496 VanDerWaalsContact CB-CG1 3.49Å; H492-I496 WeakPolarHBondContact O-CG1 3.23Å; H492-I496 PolarHBondContact O-N 3.1Å; A493-I496 PolarHBondContact O-N 3.29Å; K494-I496 VanDerWaalsContact C-N 3.32Å; K494-I496 PolarHBondContact O-N 3.32Å; I496-L499 PolarHBondContact O-N 3.41Å; I496-A500 WeakPolarHBondContact O-CB 3.48Å; I496-A500 PolarHBondContact O-N 3.39Å; I496-I523 HydrophobicContact CG2-CD1 4.21Å; I496-I523 HydrophobicContact CG2-CG1 4.36Å; I496-I523 HydrophobicContact CG2-CG2 3.81Å
497C95.1Very high92.2Very high0 Ų037 Ų370%019%0.193CC..Hα-helixtrans-65.4-41.1176.7-74.60000112.4A493 K494 A500 L501 F582 L604A493-C497 WeakPolarHBondContact O-CB 3.36Å; A493-C497 PolarHBondContact O-N 2.91Å; A493-C497 PolarHBondContact O-SG 3.16Å; K494-C497 PolarHBondContact O-N 3.07Å; C497-A500 WeakPolarHBondContact O-CB 3.44Å; C497-A500 PolarHBondContact O-N 3.34Å; C497-L501 WeakPolarHBondContact O-CG 3.5Å; C497-L501 PolarHBondContact O-N 3.47Å; C497-L501 VanDerWaalsContact O-N 3.16Å; C497-F582 HydrophobicContact CB-CE1 4.04Å; C497-F582 HydrophobicContact CB-CE2 3.86Å; C497-F582 HydrophobicContact CB-CZ 3.6Å; C497-L604 HydrophobicContact CB-CD2 3.68Å
498H93.9Very high92.2Very high45 Ų4531.9 Ų31.921%0.20818%0.179CC..Hα-helixtrans-61.7-46.4171.9-82.8-57.1000111.7K494 A500 L501 D502 D579 F582K494-H498 PolarHBondContact O-CD2 3Å; K494-H498 PolarHBondContact O-N 3.02Å; H498-A500 VanDerWaalsContact C-N 3.3Å; H498-A500 PolarHBondContact O-N 3.23Å; H498-L501 PolarHBondContact O-N 3.21Å; H498-D502 PolarHBondContact O-N 3.34Å; H498-D579 IonicContact CE1-OD2 3.82Å; H498-D579 IonicContact NE2-OD2 3.77Å; H498-D579 PolarHBondContact NE2-OD2 3.07Å; H498-F582 AromaticContact CD2-CZ 3.6Å; H498-F582 AromaticContact CE1-CE1 3.56Å; H498-F582 AromaticContact CE1-CZ 3.79Å; H498-F582 AromaticContact CG-CZ 3.94Å; H498-F582 AromaticContact ND1-CE1 3.73Å; H498-F582 AromaticContact NE2-CE1 3.78Å; H498-F582 AromaticContact NE2-CZ 3.5Å; H498-F582 WeakPolarHBondContact NE2-CZ 3.32Å
499L94.8Very high92.3Very high2 Ų233 Ų331%0.0118%0.176CC..Hα-helixtrans-57-43.8174.2175.167.1000111.8L460 T461 V469 T481 S495 I496 L501 D502 M503L460-L499 HydrophobicContact CB-CD1 3.7Å; L460-L499 HydrophobicContact CD1-CD1 4.07Å; T461-L499 HydrophobicContact CG2-CD1 4.08Å; T461-L499 HydrophobicContact CG2-CD2 3.91Å; V469-L499 HydrophobicContact CG1-CD2 3.83Å; T481-L499 HydrophobicContact CG2-CD2 4.01Å; T481-L499 WeakPolarHBondContact OG1-CD2 3.35Å; S495-L499 PolarHBondContact O-N 3.45Å; S495-L499 VanDerWaalsContact O-N 3.08Å; I496-L499 PolarHBondContact O-N 3.41Å; L499-L501 VanDerWaalsContact C-N 3.3Å; L499-L501 PolarHBondContact O-N 2.92Å; L499-D502 PolarHBondContact O-N 3.09Å; L499-M503 HydrophobicContact CD1-CG 3.9Å; L499-M503 HydrophobicContact CD1-SD 4.08Å; L499-M503 HydrophobicContact CD2-SD 4.06Å; L499-M503 HydrophobicContact CG-CG 4.07Å; L499-M503 HydrophobicContact CG-SD 3.74Å; L499-M503 WeakPolarHBondContact O-CB 3.38Å; L499-M503 VanDerWaalsContact O-CG 3.23Å; L499-M503 WeakPolarHBondContact O-CG 3.23Å; L499-M503 PolarHBondContact O-N 3.19Å
500A95.4Very high92.2Very high0 Ų032.2 Ų32.20%017%0.17CC..Hα-helixtrans-60.3-40.4-179.400000112.3L423 I496 C497 H498 M504 I521 I523 I562L423-A500 HydrophobicContact CD1-CB 3.64Å; I496-A500 WeakPolarHBondContact O-CB 3.48Å; I496-A500 PolarHBondContact O-N 3.39Å; C497-A500 WeakPolarHBondContact O-CB 3.44Å; C497-A500 PolarHBondContact O-N 3.34Å; H498-A500 VanDerWaalsContact C-N 3.3Å; H498-A500 PolarHBondContact O-N 3.23Å; A500-M504 WeakPolarHBondContact O-CG 3.27Å; A500-M504 PolarHBondContact O-N 3.2Å; A500-M504 VanDerWaalsContact O-N 3.1Å; A500-I521 HydrophobicContact CB-CD1 4.08Å; A500-I521 HydrophobicContact CB-CG2 4.16Å; A500-I521 WeakPolarHBondContact O-CD1 3.49Å; A500-I523 HydrophobicContact CB-CD1 3.79Å; A500-I562 HydrophobicContact CB-CD1 3.95Å; A500-I562 HydrophobicContact CB-CG2 4.13Å
501L94.1Very high91.9Very high9 Ų934.9 Ų34.95%0.04718%0.175CC..Hα-helixtrans-66.8-46.3177.3-65.3165.4000111.1C497 H498 L499 M503 M504 E505 I562 F582 L604 R606C497-L501 WeakPolarHBondContact O-CG 3.5Å; C497-L501 PolarHBondContact O-N 3.47Å; C497-L501 VanDerWaalsContact O-N 3.16Å; H498-L501 PolarHBondContact O-N 3.21Å; L499-L501 VanDerWaalsContact C-N 3.3Å; L499-L501 PolarHBondContact O-N 2.92Å; L501-M503 VanDerWaalsContact C-N 3.32Å; L501-M503 PolarHBondContact O-N 2.79Å; L501-M504 PolarHBondContact O-N 2.83Å; L501-E505 PolarHBondContact O-N 2.77Å; L501-E505 VanDerWaalsContact O-N 3.16Å; L501-I562 HydrophobicContact CD2-CD1 3.68Å; L501-I562 HydrophobicContact CG-CD1 4.22Å; L501-F582 HydrophobicContact CD1-CD1 3.96Å; L501-F582 HydrophobicContact CD1-CE1 3.81Å; L501-L604 HydrophobicContact CD2-CG 4.38Å; L501-L604 HydrophobicContact CG-CD2 4.44Å; L501-R606 HydrophobicContact CD1-CG 3.84Å; L501-R606 HydrophobicContact CD2-CG 3.92Å; L501-R606 HydrophobicContact CG-CG 4.3Å
502D93.5Very high91.3Very high51 Ų5133.9 Ų33.927%0.27317%0.172SC..Hα-helixtrans-63-38.8177.1-66.7-6.7000111.6L460 H498 L499 E505 I506 R606L460-D502 HydrophobicContact CD1-CB 3.81Å; L460-D502 HydrophobicContact CD2-CB 4.28Å; H498-D502 PolarHBondContact O-N 3.34Å; L499-D502 PolarHBondContact O-N 3.09Å; D502-E505 PolarHBondContact O-N 2.83Å; D502-I506 WeakPolarHBondContact O-CB 3.48Å; D502-I506 WeakPolarHBondContact O-CG1 3.31Å; D502-I506 PolarHBondContact O-N 3.46Å; D502-R606 IonicContact OD1-CZ 3.99Å; D502-R606 IonicContact OD1-NH2 3.36Å; D502-R606 PolarHBondContact OD1-NH2 3.22Å
503M93.6Very high90.5Very high0 Ų037.9 Ų37.90%019%0.194CC..Hα-helixtrans-63.3-41.2175.8-75.1177.27800112.1L423 F457 L460 Y479 L499 L501 A507 I519 I521L423-M503 HydrophobicContact CD1-SD 4.4Å; L423-M503 HydrophobicContact CD2-CE 4.28Å; L423-M503 HydrophobicContact CD2-SD 4Å; F457-M503 HydrophobicContact CB-CE 4.48Å; F457-M503 HydrophobicContact CD1-CB 4.37Å; F457-M503 HydrophobicContact CD1-CE 4.02Å; F457-M503 HydrophobicContact CD1-CG 3.93Å; F457-M503 HydrophobicContact CD2-CE 3.42Å; F457-M503 VanDerWaalsContact CD2-CE 3.42Å; F457-M503 HydrophobicContact CE1-CB 3.93Å; F457-M503 HydrophobicContact CE1-CE 4.01Å; F457-M503 HydrophobicContact CE1-CG 4Å; F457-M503 HydrophobicContact CE2-CE 3.4Å; F457-M503 HydrophobicContact CG-CE 3.73Å; F457-M503 HydrophobicContact CG-CG 4.43Å; F457-M503 HydrophobicContact CZ-CB 4.35Å; F457-M503 HydrophobicContact CZ-CE 3.72Å; L460-M503 HydrophobicContact CD1-CG 3.9Å; Y479-M503 HydrophobicContact CD1-CE 3.66Å; Y479-M503 HydrophobicContact CE1-CE 4.22Å; Y479-M503 HydrophobicContact CG-CE 4.39Å; L499-M503 HydrophobicContact CD1-CG 3.9Å; L499-M503 HydrophobicContact CD1-SD 4.08Å; L499-M503 HydrophobicContact CD2-SD 4.06Å; L499-M503 HydrophobicContact CG-CG 4.07Å; L499-M503 HydrophobicContact CG-SD 3.74Å; L499-M503 WeakPolarHBondContact O-CB 3.38Å; L499-M503 VanDerWaalsContact O-CG 3.23Å; L499-M503 WeakPolarHBondContact O-CG 3.23Å; L499-M503 PolarHBondContact O-N 3.19Å; L501-M503 VanDerWaalsContact C-N 3.32Å; L501-M503 PolarHBondContact O-N 2.79Å; M503-A507 VanDerWaalsContact O-CB 3.24Å; M503-A507 WeakPolarHBondContact O-CB 3.25Å; M503-A507 PolarHBondContact O-N 2.89Å; M503-I519 HydrophobicContact CB-CD1 4.21Å; M503-I521 HydrophobicContact CB-CD1 4.08Å
504M91.6Very high89.7Confident53 Ų5344.7 Ų44.726%0.26123%0.23SC..Hα-helixtrans-62.6-41.8176.4-73.2-65.6-62.300111.8A500 L501 G508 I519 I521 G560 I562A500-M504 WeakPolarHBondContact O-CG 3.27Å; A500-M504 PolarHBondContact O-N 3.2Å; A500-M504 VanDerWaalsContact O-N 3.1Å; L501-M504 PolarHBondContact O-N 2.83Å; M504-G508 PolarHBondContact O-N 3.07Å; M504-I519 HydrophobicContact SD-CD1 3.94Å; M504-I519 HydrophobicContact SD-CG1 3.48Å; M504-I519 WeakPolarHBondContact SD-CG1 3.44Å; M504-I521 HydrophobicContact CG-CD1 3.89Å; M504-I521 HydrophobicContact SD-CD1 4Å; M504-I521 HydrophobicContact SD-CG1 4.15Å; M504-G560 WeakPolarHBondContact CE-O 3.49Å; M504-I562 HydrophobicContact CG-CD1 3.77Å; M504-I562 HydrophobicContact CG-CG1 3.69Å; M504-I562 HydrophobicContact SD-CG1 4.22Å
505E90.6Very high89.1Confident101 Ų10148.8 Ų48.847%0.47225%0.25SS..Hα-helixtrans-67.1-45.1178.9-72.5169.5-157.300112.1L501 D502 G508 R606L501-E505 PolarHBondContact O-N 2.77Å; L501-E505 VanDerWaalsContact O-N 3.16Å; D502-E505 PolarHBondContact O-N 2.83Å; E505-G508 PolarHBondContact O-N 2.98Å; E505-R606 IonicContact OE1-CZ 3.95Å; E505-R606 IonicContact OE1-NE 2.62Å; E505-R606 PolarHBondContact OE1-NE 3.04Å; E505-R606 IonicContact OE1-NH2 2.76Å; E505-R606 PolarHBondContact OE1-NH2 3.26Å; E505-R606 IonicContact OE2-NH2 2.62Å; E505-R606 PolarHBondContact OE2-NH2 3.39Å
506I90.8Very high88.7Confident33 Ų3351.6 Ų51.617%0.16927%0.268CS..Hα-helixtrans-68.2-38.8179.1-72-167.4000111.7R456 L460 D502 G508 Q509R456-I506 HydrophobicContact CB-CG2 3.58Å; R456-I506 HydrophobicContact CG-CG2 4.25Å; L460-I506 HydrophobicContact CD1-CD1 3.74Å; L460-I506 HydrophobicContact CD1-CG1 4.47Å; L460-I506 HydrophobicContact CD2-CD1 3.66Å; L460-I506 HydrophobicContact CG-CD1 3.74Å; D502-I506 WeakPolarHBondContact O-CB 3.48Å; D502-I506 WeakPolarHBondContact O-CG1 3.31Å; D502-I506 PolarHBondContact O-N 3.46Å; I506-G508 VanDerWaalsContact C-N 3.26Å; I506-G508 PolarHBondContact O-N 3.09Å; I506-Q509 WeakPolarHBondContact O-CB 3.14Å; I506-Q509 PolarHBondContact O-N 2.95Å
507A89.4Confident88.3Confident1 Ų152.2 Ų52.21%0.00827%0.272CS..Hα-helixtrans-60.3-38.2177.800000111.9F457 M503 Q509 V510 V517 I519F457-A507 HydrophobicContact CZ-CB 4.44Å; M503-A507 VanDerWaalsContact O-CB 3.24Å; M503-A507 WeakPolarHBondContact O-CB 3.25Å; M503-A507 PolarHBondContact O-N 2.89Å; A507-Q509 PolarHBondContact O-N 2.88Å; A507-V510 PolarHBondContact O-N 3.09Å; A507-V510 VanDerWaalsContact O-N 3.1Å; A507-V517 CarbonylContact C-O 3.59Å; A507-I519 HydrophobicContact CB-CD1 3.74Å; A507-I519 HydrophobicContact CB-CG1 3.93Å; A507-I519 HydrophobicContact CB-CG2 3.94Å
508G85.6Confident88.1Confident38 Ų3857.6 Ų57.639%0.39230%0.297SS..THydrogen-bonded Turntrans-64.6-17.1175.600000114.8M504 E505 I506M504-G508 PolarHBondContact O-N 3.07Å; E505-G508 PolarHBondContact O-N 2.98Å; I506-G508 VanDerWaalsContact C-N 3.26Å; I506-G508 PolarHBondContact O-N 3.09Å
509Q87.6Confident88Confident124 Ų12455.5 Ų55.558%0.57929%0.288SS*.THydrogen-bonded Turntrans-84.8-18.4175.8-59.3172.34.800112.8I506 A507I506-Q509 WeakPolarHBondContact O-CB 3.14Å; I506-Q509 PolarHBondContact O-N 2.95Å; A507-Q509 PolarHBondContact O-N 2.88Å
510V87Confident88Confident3 Ų355.8 Ų55.82%0.01829%0.29CS..  trans-86.2129176.4-176.10000108.1L449 V453 A507 P516 V517L449-V510 HydrophobicContact CD1-CG1 3.94Å; V453-V510 HydrophobicContact CG2-CB 4.33Å; V453-V510 HydrophobicContact CG2-CG1 3.95Å; V453-V510 HydrophobicContact CG2-CG2 4.25Å; A507-V510 PolarHBondContact O-N 3.09Å; A507-V510 VanDerWaalsContact O-N 3.1Å; V510-P516 WeakPolarHBondContact O-CA 3.43Å; V510-V517 HydrophobicContact CB-CB 4.46Å; V510-V517 HydrophobicContact CB-CG2 4.05Å; V510-V517 HydrophobicContact CG1-CG2 3.85Å; V510-V517 PolarHBondContact O-N 3.04Å
511K83.7Confident88.1Confident141 Ų14155.8 Ų55.861%0.61329%0.29SS*.EExtended strand (participates in β ladder)trans-116.4141.2179.2-65.8-174.3179-173.80111.3E515K511-E515 CarbonylContact C-O 3.49Å; K511-E515 VanDerWaalsContact CA-O 3.32Å; K511-E515 WeakPolarHBondContact CA-O 3.43Å
512V78.8Confident88.2Confident30 Ų3055.4 Ų55.418%0.18229%0.287CS..EExtended strand (participates in β ladder)trans-127.9121.9175.3179.10000107.3F433 L449 D514 E515 V517F433-V512 HydrophobicContact CD2-CG1 4.32Å; F433-V512 HydrophobicContact CE1-CG1 4.42Å; F433-V512 HydrophobicContact CE2-CG1 3.38Å; F433-V512 HydrophobicContact CZ-CG1 3.45Å; F433-V512 VanDerWaalsContact CZ-CG1 3.45Å; L449-V512 HydrophobicContact CD1-CG2 3.17Å; L449-V512 HydrophobicContact CD2-CG1 4.37Å; L449-V512 HydrophobicContact CD2-CG2 3.49Å; L449-V512 VanDerWaalsContact CD2-CG2 3.49Å; L449-V512 HydrophobicContact CG-CG2 3.86Å; V512-D514 PolarHBondContact O-N 3.36Å; V512-D514 VanDerWaalsContact O-N 3.16Å; V512-E515 PolarHBondContact N-O 3.24Å; V512-E515 PolarHBondContact O-N 2.78Å; V512-V517 HydrophobicContact CG2-CG2 3.64Å
513D76.7Confident88.4Confident93 Ų9353 Ų5350%0.49727%0.274SS..THydrogen-bonded Turntrans48.541.9-176.1-60.6-23.2000112.2H437 E515H437-D513 IonicContact NE2-OD2 2.62Å; D513-E515 PolarHBondContact O-N 2.98Å
514D76.7Confident88.5Confident142 Ų14253.1 Ų53.176%0.75928%0.275SS*.THydrogen-bonded Turntrans65.72.4-175.3-71.8-46000117.5V512V512-D514 PolarHBondContact O-N 3.36Å; V512-D514 VanDerWaalsContact O-N 3.16Å
515E81.9Confident88.7Confident146 Ų14650.9 Ų50.968%0.68226%0.264SS*.EExtended strand (participates in β ladder)trans-96.9136.6172.1-65.3-170.2168.100111.7K511 V512 D513K511-E515 CarbonylContact C-O 3.49Å; K511-E515 VanDerWaalsContact CA-O 3.32Å; K511-E515 WeakPolarHBondContact CA-O 3.43Å; V512-E515 PolarHBondContact N-O 3.24Å; V512-E515 PolarHBondContact O-N 2.78Å; D513-E515 PolarHBondContact O-N 2.98Å
516P85.4Confident88.9Confident71 Ų7146.9 Ų46.946%0.46125%0.25SS..EExtended strand (participates in β ladder)trans-68.8139.4177.428.8-33.6000111.1V510 Q518V510-P516 WeakPolarHBondContact O-CA 3.43Å; P516-Q518 PolarHBondContact O-N 2.78Å
517V88.4Confident89Confident13 Ų1349.8 Ų49.88%0.07926%0.263CS..PPolyproline II helixtrans-67.1122.1177.4178.80000109.5I427 L449 A507 V510 V512 I519I427-V517 HydrophobicContact CG1-CG1 4.44Å; I427-V517 HydrophobicContact CG2-CG1 4.07Å; L449-V517 HydrophobicContact CD1-CG2 3.85Å; A507-V517 CarbonylContact C-O 3.59Å; V510-V517 HydrophobicContact CB-CB 4.46Å; V510-V517 HydrophobicContact CB-CG2 4.05Å; V510-V517 HydrophobicContact CG1-CG2 3.85Å; V510-V517 PolarHBondContact O-N 3.04Å; V512-V517 HydrophobicContact CG2-CG2 3.64Å; V517-I519 HydrophobicContact CG1-CG2 4.19Å
518Q89.8Confident89.2Confident113 Ų11349.8 Ų49.853%0.52826%0.263SS..PPolyproline II helixtrans-97.8131.2171.7-68.3-172.8-10.700110.3V428 P516V428-Q518 HydrophobicContact CB-CB 4.07Å; V428-Q518 WeakPolarHBondContact CB-O 3.46Å; V428-Q518 HydrophobicContact CG2-CB 4.06Å; V428-Q518 WeakPolarHBondContact CG2-O 3.46Å; V428-Q518 PolarHBondContact N-O 3.37Å; P516-Q518 PolarHBondContact O-N 2.78Å
519I93.2Very high89.5Confident2 Ų250.9 Ų50.91%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-115.4150.6174.964.1173.9000110.5G426 I427 F457 M503 M504 A507 V517 I521 G560G426-I519 CarbonylContact O-C 3.53Å; G426-I519 VanDerWaalsContact O-CA 3.32Å; G426-I519 WeakPolarHBondContact O-CA 3.38Å; I427-I519 HydrophobicContact CG1-CG2 4.25Å; F457-I519 HydrophobicContact CZ-CD1 3.96Å; M503-I519 HydrophobicContact CB-CD1 4.21Å; M504-I519 HydrophobicContact SD-CD1 3.94Å; M504-I519 HydrophobicContact SD-CG1 3.48Å; M504-I519 WeakPolarHBondContact SD-CG1 3.44Å; A507-I519 HydrophobicContact CB-CD1 3.74Å; A507-I519 HydrophobicContact CB-CG1 3.93Å; A507-I519 HydrophobicContact CB-CG2 3.94Å; V517-I519 HydrophobicContact CG1-CG2 4.19Å; I519-I521 HydrophobicContact CD1-CD1 3.85Å; I519-I521 HydrophobicContact CD1-CG1 4.05Å; I519-I521 HydrophobicContact CG1-CG1 4.33Å; I519-G560 VanDerWaalsContact O-CA 3.31Å; I519-G560 WeakPolarHBondContact O-CA 3.27Å
520T94.9Very high89.6Confident8 Ų845.1 Ų45.15%0.04924%0.235CC..EExtended strand (participates in β ladder)trans-111.5128.2169.6-560000107.7S425 G426 V428 K559S425-T520 WeakPolarHBondContact CA-O 3.33Å; G426-T520 PolarHBondContact N-O 2.92Å; G426-T520 PolarHBondContact O-N 2.86Å; V428-T520 VanDerWaalsContact CG2-OG1 3.27Å; V428-T520 WeakPolarHBondContact CG2-OG1 3.44Å; T520-K559 WeakPolarHBondContact OG1-CA 3.31Å
521I96.3Very high89.6Confident0 Ų045.4 Ų45.40%024%0.239CC..EExtended strand (participates in β ladder)trans-111.7133.8-179.9-58.2-175.4000109.3L423 F424 A500 M503 M504 I519 I523 K561 I562 N563L423-I521 HydrophobicContact CD1-CG2 3.66Å; L423-I521 HydrophobicContact CD2-CG2 4.04Å; L423-I521 HydrophobicContact CG-CG2 3.58Å; F424-I521 CarbonylContact O-C 3.6Å; F424-I521 WeakPolarHBondContact O-CA 3.34Å; A500-I521 HydrophobicContact CB-CD1 4.08Å; A500-I521 HydrophobicContact CB-CG2 4.16Å; A500-I521 WeakPolarHBondContact O-CD1 3.49Å; M503-I521 HydrophobicContact CB-CD1 4.08Å; M504-I521 HydrophobicContact CG-CD1 3.89Å; M504-I521 HydrophobicContact SD-CD1 4Å; M504-I521 HydrophobicContact SD-CG1 4.15Å; I519-I521 HydrophobicContact CD1-CD1 3.85Å; I519-I521 HydrophobicContact CD1-CG1 4.05Å; I519-I521 HydrophobicContact CG1-CG1 4.33Å; I521-I523 HydrophobicContact CG2-CD1 4.41Å; I521-I523 HydrophobicContact CG2-CG1 3.98Å; I521-K561 PolarHBondContact N-O 3.34Å; I521-I562 HydrophobicContact CB-CB 4.46Å; I521-I562 HydrophobicContact CB-CG1 4.24Å; I521-I562 HydrophobicContact CB-CG2 4.21Å; I521-I562 HydrophobicContact CD1-CG1 4.35Å; I521-I562 HydrophobicContact CG2-CG2 4.14Å; I521-N563 PolarHBondContact O-N 3.42Å; I521-N563 PolarHBondContact O-ND2 2.91Å
522G96.2Very high89.8Confident0 Ų040.4 Ų40.40%022%0.22CC..EExtended strand (participates in β ladder)trans-119.5129.8170.200000111.2L423 F424 T550 N563L423-G522 WeakPolarHBondContact CA-O 3.41Å; F424-G522 PolarHBondContact N-O 3.33Å; F424-G522 PolarHBondContact O-N 3.28Å; G522-T550 WeakPolarHBondContact O-CG2 3.43Å; G522-N563 CarbonylContact C-O 3.58Å; G522-N563 WeakPolarHBondContact CA-O 3.46Å
523I97.4Very high90.1Very high0 Ų043 Ų430%023%0.232CC..EExtended strand (participates in β ladder)trans-123.5126.4-177.6-50.4175000110.2T421 I422 L423 I496 A500 I521 I562 N563 V564 S565 T568T421-I523 HydrophobicContact CG2-CG2 3.45Å; T421-I523 VanDerWaalsContact CG2-CG2 3.45Å; I422-I523 WeakPolarHBondContact O-CA 3.31Å; L423-I523 HydrophobicContact CD1-CD1 4.38Å; L423-I523 HydrophobicContact CD1-CG1 4.27Å; L423-I523 HydrophobicContact CG-CG1 4.36Å; I496-I523 HydrophobicContact CG2-CD1 4.21Å; I496-I523 HydrophobicContact CG2-CG1 4.36Å; I496-I523 HydrophobicContact CG2-CG2 3.81Å; A500-I523 HydrophobicContact CB-CD1 3.79Å; I521-I523 HydrophobicContact CG2-CD1 4.41Å; I521-I523 HydrophobicContact CG2-CG1 3.98Å; I523-I562 HydrophobicContact CD1-CG2 3.65Å; I523-I562 HydrophobicContact CG1-CG2 4.25Å; I523-N563 PolarHBondContact N-O 3.22Å; I523-V564 HydrophobicContact CD1-CG2 4.39Å; I523-S565 PolarHBondContact O-N 3.34Å; I523-S565 PolarHBondContact O-OG 3.38Å; I523-T568 HydrophobicContact CG2-CG2 3.81Å
524H96.3Very high90.2Very high4 Ų440.8 Ų40.82%0.01923%0.232CC..EExtended strand (participates in β ladder)trans-142.1146.6177.7177.560.4000111.8I422 T550 S565 Y567 T568I422-H524 PolarHBondContact N-O 2.84Å; I422-H524 PolarHBondContact O-N 2.95Å; I422-H524 VanDerWaalsContact O-N 3.09Å; H524-T550 HydrophobicContact CB-CG2 4.06Å; H524-T550 WeakPolarHBondContact CB-OG1 3.47Å; H524-S565 WeakPolarHBondContact CA-OG 3.39Å; H524-S565 VanDerWaalsContact ND1-CB 3.34Å; H524-S565 WeakPolarHBondContact ND1-CB 3.48Å; H524-S565 PolarHBondContact ND1-OG 2.67Å; H524-Y567 AromaticContact CE1-CD2 3.5Å; H524-T568 VanDerWaalsContact C-OG1 3.29Å; H524-T568 VanDerWaalsContact CA-OG1 3.25Å; H524-T568 WeakPolarHBondContact CA-OG1 3.36Å
525T96.1Very high89.9Confident5 Ų543.4 Ų43.43%0.03124%0.239CC..EExtended strand (participates in β ladder)trans-120.5134.6-176.7-57.40000109.5V420 T421 Y567 T568V420-T525 VanDerWaalsContact O-CA 3.27Å; V420-T525 WeakPolarHBondContact O-CA 3.46Å; T421-T525 PolarHBondContact OG1-OG1 3.19Å; T525-Y567 VanDerWaalsContact O-CB 3.3Å; T525-Y567 WeakPolarHBondContact O-CB 3.27Å; T525-T568 PolarHBondContact N-OG1 3.2Å; T525-T568 VanDerWaalsContact N-OG1 3.09Å; T525-T568 PolarHBondContact OG1-OG1 3.08Å
526G93.9Very high89.5Confident17 Ų1748 Ų4818%0.17525%0.25CS..EExtended strand (participates in β ladder)trans176.2-169.3176.700000112.1D418 V420D418-G526 CarbonylContact O-C 3.56Å; V420-G526 PolarHBondContact N-O 3.08Å; V420-G526 PolarHBondContact O-N 3.36Å
527E94Very high89.1Confident94 Ų9451 Ų5144%0.43926%0.26SS..EExtended strand (participates in β ladder)trans-76.4146.2-178.663.4175.8167.700112.8R416 Y417 D418 T546R416-E527 IonicContact CZ-OE2 3.57Å; R416-E527 IonicContact NE-OE2 3.82Å; R416-E527 PolarHBondContact NE-OE2 2.83Å; R416-E527 IonicContact NH2-OE2 3.23Å; R416-E527 PolarHBondContact NH2-OE2 2.86Å; Y417-E527 CarbonylContact O-C 3.54Å; Y417-E527 WeakPolarHBondContact O-CA 3.26Å; D418-E527 WeakPolarHBondContact O-CA 3.34Å; D418-E527 PolarHBondContact O-N 3.46Å; E527-T546 PolarHBondContact N-OG1 2.91Å; E527-T546 VanDerWaalsContact O-CB 3.23Å; E527-T546 WeakPolarHBondContact O-CB 3.44Å; E527-T546 PolarHBondContact O-OG1 2.84Å
528V93.6Very high88.8Confident1 Ų152.2 Ų52.21%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-139.8141.8178.3-179.80000109.7R416 Y417 V420 I422 L485 T530 L542 T546R416-V528 WeakPolarHBondContact CA-O 3.49Å; Y417-V528 PolarHBondContact N-O 3.27Å; Y417-V528 PolarHBondContact O-N 3.48Å; V420-V528 HydrophobicContact CB-CG2 4Å; V420-V528 HydrophobicContact CG1-CG2 4.03Å; V420-V528 HydrophobicContact CG2-CB 4.43Å; V420-V528 HydrophobicContact CG2-CG2 4.44Å; I422-V528 HydrophobicContact CD1-CG2 3.87Å; L485-V528 HydrophobicContact CD1-CB 4.47Å; L485-V528 HydrophobicContact CD1-CG1 4.27Å; V528-T530 HydrophobicContact CG1-CG2 4.11Å; V528-L542 HydrophobicContact CG1-CB 3.78Å; V528-L542 HydrophobicContact CG1-CD2 4Å; V528-L542 HydrophobicContact CG1-CG 3.88Å; V528-T546 HydrophobicContact CG2-CG2 4.29Å
529V91.6Very high88.5Confident61 Ų6152.1 Ų52.137%0.3726%0.263SS..EExtended strand (participates in β ladder)trans-103.5124.6167.3-1800000108.4A414 K415 R416 F543A414-V529 HydrophobicContact CB-CG1 4.45Å; K415-V529 CarbonylContact O-C 3.52Å; K415-V529 WeakPolarHBondContact O-CA 3.26Å; R416-V529 HydrophobicContact CB-CG2 4.34Å; R416-V529 HydrophobicContact CG-CG2 4.35Å; V529-F543 PolarHBondContact N-O 3.26Å; V529-F543 PolarHBondContact O-N 3Å
530T90.2Very high88.2Confident3 Ų352.6 Ų52.62%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-109.6148.4179.664.10000111A414 K415 Y417 L485 V528 Y540 C541 L542A414-T530 CarbonylContact C-O 3.59Å; A414-T530 WeakPolarHBondContact CA-O 3.44Å; K415-T530 PolarHBondContact N-O 3.09Å; K415-T530 PolarHBondContact O-N 3.01Å; K415-T530 PolarHBondContact O-OG1 3.2Å; Y417-T530 HydrophobicContact CD2-CG2 4.14Å; Y417-T530 HydrophobicContact CE2-CG2 4.19Å; Y417-T530 WeakPolarHBondContact CE2-OG1 2.96Å; L485-T530 HydrophobicContact CD1-CG2 3.57Å; L485-T530 HydrophobicContact CD2-CG2 3.78Å; L485-T530 HydrophobicContact CG-CG2 4.31Å; V528-T530 HydrophobicContact CG1-CG2 4.11Å; T530-Y540 VanDerWaalsContact CB-OH 3.31Å; T530-Y540 WeakPolarHBondContact CB-OH 3.43Å; T530-Y540 HydrophobicContact CG2-CE1 4.33Å; T530-Y540 WeakPolarHBondContact CG2-OH 3.39Å; T530-Y540 PolarHBondContact OG1-OH 3.32Å; T530-C541 WeakPolarHBondContact CA-O 3.41Å; T530-L542 HydrophobicContact CG2-CG 4.21Å
531G87Confident87.8Confident9 Ų953.6 Ų53.69%0.09327%0.271CS..EExtended strand (participates in β ladder)trans-163.4161.517200000112.5C541G531-C541 PolarHBondContact N-O 3.37Å; G531-C541 VanDerWaalsContact N-O 3.1Å; G531-C541 PolarHBondContact O-N 2.88Å
532V86.8Confident87.5Confident36 Ų3654.4 Ų54.422%0.21828%0.276CS..EExtended strand (participates in β ladder)trans-91.4124.7173-178.50000109.3V402 L406 V412 P538 R539 Y540V402-V532 HydrophobicContact CG1-CG2 3.41Å; V402-V532 VanDerWaalsContact CG1-CG2 3.41Å; L406-V532 HydrophobicContact CD1-CG1 4.32Å; V412-V532 HydrophobicContact CB-CG2 3.91Å; V412-V532 HydrophobicContact CG1-CG2 3.93Å; V412-V532 HydrophobicContact CG2-CG2 4.39Å; V532-P538 HydrophobicContact CG1-CB 3.57Å; V532-R539 CarbonylContact C-O 3.59Å; V532-R539 WeakPolarHBondContact CA-O 3.49Å; V532-Y540 HydrophobicContact CG2-CD2 4.18Å
533I84.9Confident87.1Confident84 Ų8459.3 Ų59.343%0.43130%0.297SS..EExtended strand (participates in β ladder)trans-113.8137.1179.1-62.4179.3000110.1P538 R539 C541 F543I533-P538 WeakPolarHBondContact O-CA 3.39Å; I533-R539 PolarHBondContact N-O 3.39Å; I533-R539 PolarHBondContact O-N 3.36Å; I533-C541 HydrophobicContact CD1-CB 4.07Å; I533-F543 HydrophobicContact CD1-CE2 3.49Å; I533-F543 VanDerWaalsContact CD1-CE2 3.49Å; I533-F543 HydrophobicContact CD1-CZ 3.29Å; I533-F543 HydrophobicContact CG1-CE2 4.5Å
534G78.7Confident86.7Confident48 Ų4860.9 Ų60.950%0.49531%0.313SS..  trans94.3135.8175.300000113P538G534-P538 WeakPolarHBondContact O-CA 3.2Å
535Q72.3Confident86.4Confident196 Ų19664.9 Ų64.992%0.91634%0.335SS*.SBendtrans-88.2-38.7179.8-171.6-179.64.500112.6
536R72.4Confident86.2Confident243 Ų24365 Ų6592%0.91734%0.336SS*.SBendtrans-87.6-34.3-179.9-71-173176.5-172.1-1.2113.4
537M77.6Confident86.1Confident134 Ų13465.3 Ų65.366%0.6633%0.334SS*.SBendtrans-129.781.3177.1-69-170.2-66.500108.3R539M537-R539 PolarHBondContact O-N 3.45Å
538P81.7Confident85.9Confident39 Ų3965 Ų6525%0.25334%0.335SS..  trans-66.1128.4-178.226.5-33000110.4L398 L406 V532 I533 G534L398-P538 HydrophobicContact CD1-CB 4.41Å; L398-P538 HydrophobicContact CD1-CG 4.18Å; L406-P538 HydrophobicContact CD1-CB 4.13Å; L406-P538 HydrophobicContact CD1-CG 4.35Å; V532-P538 HydrophobicContact CG1-CB 3.57Å; I533-P538 WeakPolarHBondContact O-CA 3.39Å; G534-P538 WeakPolarHBondContact O-CA 3.2Å
539R83.5Confident85.8Confident111 Ų11165.5 Ų65.542%0.41934%0.338SS..EExtended strand (participates in β ladder)trans-123.9131178.7-67.6166.3178.8-142.1-2.5109.8E473 V532 I533 M537 C541E473-R539 IonicContact OE1-CZ 3.28Å; E473-R539 IonicContact OE1-NE 2.88Å; E473-R539 IonicContact OE1-NH1 2.87Å; E473-R539 PolarHBondContact OE1-NH1 2.99Å; E473-R539 IonicContact OE1-NH2 3.61Å; E473-R539 VanDerWaalsContact OE2-CD 3.27Å; E473-R539 WeakPolarHBondContact OE2-CD 3.48Å; E473-R539 IonicContact OE2-CZ 2.81Å; E473-R539 IonicContact OE2-NE 3.79Å; E473-R539 IonicContact OE2-NH1 3.63Å; E473-R539 PolarHBondContact OE2-NH1 3.45Å; V532-R539 CarbonylContact C-O 3.59Å; V532-R539 WeakPolarHBondContact CA-O 3.49Å; I533-R539 PolarHBondContact N-O 3.39Å; I533-R539 PolarHBondContact O-N 3.36Å; M537-R539 PolarHBondContact O-N 3.45Å; R539-C541 PolarHBondContact O-N 2.94Å
540Y86.5Confident85.9Confident12 Ų1262.6 Ų62.65%0.04732%0.321CS..EExtended strand (participates in β ladder)trans-82.9101.7174.3-171-107.4000109.4P399 V402 Y470 T530 V532 L542P399-Y540 HydrophobicContact CG-CD1 4.03Å; P399-Y540 HydrophobicContact CG-CE1 4.3Å; P399-Y540 HydrophobicContact CG-CG 4.15Å; V402-Y540 HydrophobicContact CG1-CD2 4.36Å; V402-Y540 HydrophobicContact CG2-CD2 3.92Å; V402-Y540 HydrophobicContact CG2-CE2 3.8Å; Y470-Y540 AromaticContact CE1-CD1 3.9Å; Y470-Y540 HydrophobicContact CE1-CD1 3.9Å; Y470-Y540 HydrophobicContact CE1-CE1 4.46Å; T530-Y540 VanDerWaalsContact CB-OH 3.31Å; T530-Y540 WeakPolarHBondContact CB-OH 3.43Å; T530-Y540 HydrophobicContact CG2-CE1 4.33Å; T530-Y540 WeakPolarHBondContact CG2-OH 3.39Å; T530-Y540 PolarHBondContact OG1-OH 3.32Å; V532-Y540 HydrophobicContact CG2-CD2 4.18Å; Y540-L542 HydrophobicContact CD1-CD1 4.22Å; Y540-L542 HydrophobicContact CE1-CD1 4.24Å
541C87.2Confident85.9Confident28 Ų2863.9 Ų63.919%0.18933%0.329CS..EExtended strand (participates in β ladder)trans-106.2144.4-172.7-62.70000111.6T530 G531 I533 R539 F543T530-C541 WeakPolarHBondContact CA-O 3.41Å; G531-C541 PolarHBondContact N-O 3.37Å; G531-C541 VanDerWaalsContact N-O 3.1Å; G531-C541 PolarHBondContact O-N 2.88Å; I533-C541 HydrophobicContact CD1-CB 4.07Å; R539-C541 PolarHBondContact O-N 2.94Å; C541-F543 HydrophobicContact CB-CD2 4.42Å; C541-F543 HydrophobicContact CB-CE2 3.51Å; C541-F543 HydrophobicContact CB-CZ 3.78Å
542L89.4Confident86.1Confident18 Ų1866.5 Ų66.59%0.09434%0.337CS..EExtended strand (participates in β ladder)trans-106132.5175.5-74.372.1000109.7V472 M480 V482 L485 V528 T530 Y540 V547V472-L542 HydrophobicContact CB-CD1 4.38Å; V472-L542 HydrophobicContact CG1-CD1 3.72Å; V472-L542 HydrophobicContact CG2-CD1 3.65Å; V472-L542 HydrophobicContact CG2-CD2 4.18Å; M480-L542 HydrophobicContact CE-CB 4.32Å; M480-L542 HydrophobicContact CE-CD2 3.87Å; V482-L542 HydrophobicContact CB-CD2 4.21Å; V482-L542 HydrophobicContact CG1-CD2 4.2Å; V482-L542 HydrophobicContact CG2-CD2 3.97Å; L485-L542 HydrophobicContact CD1-CD2 3.72Å; L485-L542 HydrophobicContact CD1-CG 4.19Å; V528-L542 HydrophobicContact CG1-CB 3.78Å; V528-L542 HydrophobicContact CG1-CD2 4Å; V528-L542 HydrophobicContact CG1-CG 3.88Å; T530-L542 HydrophobicContact CG2-CG 4.21Å; Y540-L542 HydrophobicContact CD1-CD1 4.22Å; Y540-L542 HydrophobicContact CE1-CD1 4.24Å; L542-V547 HydrophobicContact CB-CG2 4.12Å
543F88Confident86.3Confident102 Ų10264.9 Ų64.945%0.44733%0.326SS..EExtended strand (participates in β ladder)trans-125.7149.2178.3-63.1-81.3000111.1V529 I533 C541V529-F543 PolarHBondContact N-O 3.26Å; V529-F543 PolarHBondContact O-N 3Å; I533-F543 HydrophobicContact CD1-CE2 3.49Å; I533-F543 VanDerWaalsContact CD1-CE2 3.49Å; I533-F543 HydrophobicContact CD1-CZ 3.29Å; I533-F543 HydrophobicContact CG1-CE2 4.5Å; C541-F543 HydrophobicContact CB-CD2 4.42Å; C541-F543 HydrophobicContact CB-CE2 3.51Å; C541-F543 HydrophobicContact CB-CZ 3.78Å
544G88.6Confident86.7Confident33 Ų3361.7 Ų61.734%0.3431%0.31SS..SBendtrans141.8168.3173.900000112.9T546 V547G544-T546 PolarHBondContact O-N 3.47Å; G544-V547 PolarHBondContact O-N 3.32Å
545N89.6Confident87.3Confident89 Ų8963.3 Ų63.348%0.47631%0.31SS..Hα-helixtrans-64.2-32.2176.7-164.727.5000111.4V547 N548 L549N545-V547 VanDerWaalsContact C-N 3.34Å; N545-V547 PolarHBondContact O-N 3.31Å; N545-N548 PolarHBondContact O-N 3.48Å; N545-N548 VanDerWaalsContact O-N 3.15Å; N545-L549 WeakPolarHBondContact O-CG 3.23Å; N545-L549 PolarHBondContact O-N 2.92Å
546T92.4Very high88.2Confident8 Ų856.3 Ų56.35%0.04928%0.281CS..Hα-helixtrans-55.5-43.2178-52.10000112.5I422 E527 V528 G544 N548 L549 T550I422-T546 HydrophobicContact CD1-CG2 3.91Å; I422-T546 HydrophobicContact CG1-CG2 4.46Å; E527-T546 PolarHBondContact N-OG1 2.91Å; E527-T546 VanDerWaalsContact O-CB 3.23Å; E527-T546 WeakPolarHBondContact O-CB 3.44Å; E527-T546 PolarHBondContact O-OG1 2.84Å; V528-T546 HydrophobicContact CG2-CG2 4.29Å; G544-T546 PolarHBondContact O-N 3.47Å; T546-N548 PolarHBondContact O-N 3.22Å; T546-L549 PolarHBondContact O-N 2.92Å; T546-T550 WeakPolarHBondContact O-CB 3.18Å; T546-T550 PolarHBondContact O-N 2.83Å; T546-T550 PolarHBondContact O-OG1 2.85Å
547V91.1Very high89Confident23 Ų2345.4 Ų45.414%0.13924%0.244CC..Hα-helixtrans-59.9-47.6177.6-177.10000110.6I422 F424 M480 L542 G544 N545 T550 S551I422-V547 HydrophobicContact CD1-CB 4.44Å; I422-V547 HydrophobicContact CD1-CG2 3.83Å; F424-V547 HydrophobicContact CE2-CG1 4.13Å; F424-V547 HydrophobicContact CZ-CG1 4.1Å; M480-V547 HydrophobicContact CE-CG1 4.23Å; L542-V547 HydrophobicContact CB-CG2 4.12Å; G544-V547 PolarHBondContact O-N 3.32Å; N545-V547 VanDerWaalsContact C-N 3.34Å; N545-V547 PolarHBondContact O-N 3.31Å; V547-T550 PolarHBondContact O-N 2.69Å; V547-S551 PolarHBondContact O-N 2.86Å
548N90.3Very high89.6Confident86 Ų8642 Ų4246%0.4623%0.229SC..Hα-helixtrans-67.2-40-180-69.9-52.1000112.6N545 T546 T550 S551 R552N545-N548 PolarHBondContact O-N 3.48Å; N545-N548 VanDerWaalsContact O-N 3.15Å; T546-N548 PolarHBondContact O-N 3.22Å; N548-T550 VanDerWaalsContact C-N 3.35Å; N548-S551 PolarHBondContact O-N 2.92Å; N548-R552 VanDerWaalsContact O-CG 3.3Å; N548-R552 WeakPolarHBondContact O-CG 3.3Å; N548-R552 PolarHBondContact O-N 3.04Å
549L91.4Very high90.1Very high13 Ų1347.6 Ų47.67%0.06825%0.249CC..Hα-helixtrans-66.5-36.8176.3-71.8175.5000111.8N545 T546 R552 T553 M599N545-L549 WeakPolarHBondContact O-CG 3.23Å; N545-L549 PolarHBondContact O-N 2.92Å; T546-L549 PolarHBondContact O-N 2.92Å; L549-R552 PolarHBondContact O-N 2.84Å; L549-T553 WeakPolarHBondContact O-CB 3.25Å; L549-T553 PolarHBondContact O-N 2.89Å; L549-T553 PolarHBondContact O-OG1 3.43Å; L549-M599 HydrophobicContact CD1-CE 4.43Å; L549-M599 HydrophobicContact CD2-CE 4.41Å
550T93.3Very high90.4Very high0 Ų043.6 Ų43.60%024%0.242CC..Hα-helixtrans-64.1-48174.7-44.90000110.7I422 F424 G522 H524 T546 V547 N548 R552 T553 E554I422-T550 HydrophobicContact CB-CG2 3.95Å; I422-T550 HydrophobicContact CG2-CG2 3.93Å; I422-T550 VanDerWaalsContact O-CG2 3.27Å; I422-T550 WeakPolarHBondContact O-CG2 3.37Å; F424-T550 HydrophobicContact CD2-CG2 3.6Å; F424-T550 HydrophobicContact CE2-CG2 4.38Å; G522-T550 WeakPolarHBondContact O-CG2 3.43Å; H524-T550 HydrophobicContact CB-CG2 4.06Å; H524-T550 WeakPolarHBondContact CB-OG1 3.47Å; T546-T550 WeakPolarHBondContact O-CB 3.18Å; T546-T550 PolarHBondContact O-N 2.83Å; T546-T550 PolarHBondContact O-OG1 2.85Å; V547-T550 PolarHBondContact O-N 2.69Å; N548-T550 VanDerWaalsContact C-N 3.35Å; T550-R552 VanDerWaalsContact C-N 3.27Å; T550-R552 PolarHBondContact O-N 3.33Å; T550-T553 WeakPolarHBondContact O-CB 3.36Å; T550-T553 PolarHBondContact O-N 2.64Å; T550-T553 VanDerWaalsContact O-N 3.09Å; T550-E554 PolarHBondContact O-N 2.78Å
551S91.4Very high90.8Very high29 Ų2947.2 Ų47.220%0.20326%0.258CS..Hα-helixtrans-59.1-38.6175.6-163.60000111.9K478 V547 N548 E554 T555K478-S551 PolarHBondContact NZ-OG 3.1Å; V547-S551 PolarHBondContact O-N 2.86Å; N548-S551 PolarHBondContact O-N 2.92Å; S551-E554 PolarHBondContact O-N 3.31Å; S551-T555 WeakPolarHBondContact O-CG2 3.48Å; S551-T555 PolarHBondContact O-N 2.88Å; S551-T555 PolarHBondContact O-OG1 3.12Å
552R90.9Very high91.2Very high65 Ų6546.2 Ų46.225%0.24525%0.251CS..Hα-helixtrans-66.8-39.7174.5-73.5172.1-177.2146.310.3112.7N548 L549 T550 E554 T555 T556 M592 K593N548-R552 VanDerWaalsContact O-CG 3.3Å; N548-R552 WeakPolarHBondContact O-CG 3.3Å; N548-R552 PolarHBondContact O-N 3.04Å; L549-R552 PolarHBondContact O-N 2.84Å; T550-R552 VanDerWaalsContact C-N 3.27Å; T550-R552 PolarHBondContact O-N 3.33Å; R552-E554 PolarHBondContact O-N 2.91Å; R552-T555 WeakPolarHBondContact CA-OG1 3.4Å; R552-T555 PolarHBondContact O-N 3.35Å; R552-T555 PolarHBondContact O-OG1 3.36Å; R552-T555 VanDerWaalsContact O-OG1 3.11Å; R552-T556 WeakPolarHBondContact O-CB 3.44Å; R552-T556 WeakPolarHBondContact O-CG2 3.33Å; R552-T556 PolarHBondContact O-N 2.77Å; R552-T556 PolarHBondContact O-OG1 3.32Å; R552-M592 HydrophobicContact CB-CG 4.41Å; R552-M592 HydrophobicContact CB-SD 4.14Å; R552-K593 WeakPolarHBondContact CD-O 3.39Å; R552-K593 VanDerWaalsContact CZ-O 3.25Å; R552-K593 PolarHBondContact NE-O 3.27Å; R552-K593 VanDerWaalsContact NH1-C 3.31Å; R552-K593 PolarHBondContact NH1-O 3.13Å
553T91.8Very high91.6Very high1 Ų145.3 Ų45.31%0.00625%0.246CC..Hα-helixtrans-60.3-37176.1-56.20000111.3L549 T550 G557 N563 M592L549-T553 WeakPolarHBondContact O-CB 3.25Å; L549-T553 PolarHBondContact O-N 2.89Å; L549-T553 PolarHBondContact O-OG1 3.43Å; T550-T553 WeakPolarHBondContact O-CB 3.36Å; T550-T553 PolarHBondContact O-N 2.64Å; T550-T553 VanDerWaalsContact O-N 3.09Å; T553-G557 PolarHBondContact O-N 2.66Å; T553-N563 HydrophobicContact CG2-CB 4.18Å; T553-M592 HydrophobicContact CG2-CE 4.45Å
554E93.3Very high92Very high18 Ų1840.5 Ų40.58%0.08423%0.225CC..Hα-helixtrans-69-56.7172.7179-84.2138.400111.5F424 K478 T550 S551 R552 T556 G557F424-E554 HydrophobicContact CB-CB 3.98Å; F424-E554 HydrophobicContact CB-CG 4.18Å; K478-E554 WeakPolarHBondContact CE-OE2 3.34Å; K478-E554 IonicContact NZ-OE2 2.67Å; K478-E554 PolarHBondContact NZ-OE2 2.97Å; T550-E554 PolarHBondContact O-N 2.78Å; S551-E554 PolarHBondContact O-N 3.31Å; R552-E554 PolarHBondContact O-N 2.91Å; E554-T556 VanDerWaalsContact C-N 3.33Å; E554-T556 PolarHBondContact O-N 2.9Å; E554-G557 WeakPolarHBondContact O-CA 3.41Å; E554-G557 PolarHBondContact O-N 3.42Å
555T90.3Very high92.3Very high82 Ų8238.9 Ų38.950%0.50321%0.209SC..Hα-helixtrans-63.3-31-17653.50000115.4S551 R552 G557S551-T555 WeakPolarHBondContact O-CG2 3.48Å; S551-T555 PolarHBondContact O-N 2.88Å; S551-T555 PolarHBondContact O-OG1 3.12Å; R552-T555 WeakPolarHBondContact CA-OG1 3.4Å; R552-T555 PolarHBondContact O-N 3.35Å; R552-T555 PolarHBondContact O-OG1 3.36Å; R552-T555 VanDerWaalsContact O-OG1 3.11Å; T555-G557 VanDerWaalsContact C-N 3.32Å
556T90.9Very high92.5Very high48 Ų4835.9 Ų35.929%0.29419%0.191SC..THydrogen-bonded Turntrans-92.51.1175.661.50000112.1R552 E554 R587R552-T556 WeakPolarHBondContact O-CB 3.44Å; R552-T556 WeakPolarHBondContact O-CG2 3.33Å; R552-T556 PolarHBondContact O-N 2.77Å; R552-T556 PolarHBondContact O-OG1 3.32Å; E554-T556 VanDerWaalsContact C-N 3.33Å; E554-T556 PolarHBondContact O-N 2.9Å; T556-R587 PolarHBondContact O-NH1 3.39Å; T556-R587 PolarHBondContact O-NH2 3.09Å
557G89Confident92.6Very high14 Ų1440.5 Ų40.514%0.14421%0.209CC..SBendtrans-68.6155.517700000112.7T553 E554 T555 N563T553-G557 PolarHBondContact O-N 2.66Å; E554-G557 WeakPolarHBondContact O-CA 3.41Å; E554-G557 PolarHBondContact O-N 3.42Å; T555-G557 VanDerWaalsContact C-N 3.32Å; G557-N563 VanDerWaalsContact CA-CG 3.41Å; G557-N563 WeakPolarHBondContact CA-ND2 3.37Å; G557-N563 VanDerWaalsContact CA-OD1 3.25Å; G557-N563 WeakPolarHBondContact CA-OD1 3.42Å
558D91.1Very high92.8Very high64 Ų6439.4 Ų39.434%0.34220%0.202SC..PPolyproline II helixtrans-72.4137.6169.1-75.84000109.6K561 N563 R587 F603D558-K561 HydrophobicContact CB-CD 4.18Å; D558-K561 PolarHBondContact O-N 3.31Å; D558-N563 PolarHBondContact N-OD1 2.94Å; D558-R587 IonicContact OD1-CZ 3.71Å; D558-R587 VanDerWaalsContact OD1-CZ 3.23Å; D558-R587 IonicContact OD1-NE 2.93Å; D558-R587 PolarHBondContact OD1-NE 3.28Å; D558-R587 IonicContact OD1-NH2 3.79Å; D558-R587 PolarHBondContact OD1-NH2 3.06Å; D558-R587 IonicContact OD2-NE 2.9Å; D558-F603 HydrophobicContact CB-CE1 3.9Å; D558-F603 HydrophobicContact CB-CZ 4.02Å; D558-F603 VanDerWaalsContact OD2-CZ 3.23Å; D558-F603 WeakPolarHBondContact OD2-CZ 3.38Å
559K91.5Very high93.1Very high156 Ų15637.9 Ų37.968%0.67819%0.19SC*.THydrogen-bonded Turntrans-60.2137-177.8-65.9174.9174.9-175.60111V428 T520 K561V428-K559 HydrophobicContact CG1-CB 4.11Å; V428-K559 HydrophobicContact CG1-CD 3.69Å; V428-K559 HydrophobicContact CG1-CG 3.95Å; V428-K559 HydrophobicContact CG2-CB 4.05Å; V428-K559 HydrophobicContact CG2-CG 4.33Å; T520-K559 WeakPolarHBondContact OG1-CA 3.31Å; K559-K561 PolarHBondContact O-N 2.68Å
560G90.8Very high93.2Very high26 Ų2644 Ų4427%0.26821%0.212SC..THydrogen-bonded Turntrans72.413.217700000114.4M504 I519M504-G560 WeakPolarHBondContact CE-O 3.49Å; I519-G560 VanDerWaalsContact O-CA 3.31Å; I519-G560 WeakPolarHBondContact O-CA 3.27Å
561K93.9Very high93.2Very high88 Ų8845.3 Ų45.338%0.38322%0.222SC..SBendtrans-123156.2177.5-65.1-170.1177-174.90111.6I521 D558 K559 N563 F603I521-K561 PolarHBondContact N-O 3.34Å; D558-K561 HydrophobicContact CB-CD 4.18Å; D558-K561 PolarHBondContact O-N 3.31Å; K559-K561 PolarHBondContact O-N 2.68Å; K561-N563 PolarHBondContact O-ND2 3.1Å; K561-N563 VanDerWaalsContact O-ND2 3.1Å; K561-F603 HydrophobicContact CB-CD1 3.92Å; K561-F603 HydrophobicContact CB-CE1 4.12Å; K561-F603 HydrophobicContact CD-CD1 3.7Å; K561-F603 HydrophobicContact CD-CD2 4.25Å; K561-F603 HydrophobicContact CD-CE1 3.65Å; K561-F603 HydrophobicContact CD-CE2 4.21Å; K561-F603 HydrophobicContact CD-CG 4.01Å; K561-F603 HydrophobicContact CD-CZ 3.91Å; K561-F603 HydrophobicContact CG-CD1 4.46Å
562I96.7Very high93.3Very high7 Ų744.3 Ų44.34%0.03621%0.214CC..EExtended strand (participates in β ladder)trans-90118.3170.7-53.5170.1000108.3A500 L501 M504 I521 I523 V564 F603 L604A500-I562 HydrophobicContact CB-CD1 3.95Å; A500-I562 HydrophobicContact CB-CG2 4.13Å; L501-I562 HydrophobicContact CD2-CD1 3.68Å; L501-I562 HydrophobicContact CG-CD1 4.22Å; M504-I562 HydrophobicContact CG-CD1 3.77Å; M504-I562 HydrophobicContact CG-CG1 3.69Å; M504-I562 HydrophobicContact SD-CG1 4.22Å; I521-I562 HydrophobicContact CB-CB 4.46Å; I521-I562 HydrophobicContact CB-CG1 4.24Å; I521-I562 HydrophobicContact CB-CG2 4.21Å; I521-I562 HydrophobicContact CD1-CG1 4.35Å; I521-I562 HydrophobicContact CG2-CG2 4.14Å; I523-I562 HydrophobicContact CD1-CG2 3.65Å; I523-I562 HydrophobicContact CG1-CG2 4.25Å; I562-V564 HydrophobicContact CG2-CG2 4.38Å; I562-F603 VanDerWaalsContact O-CA 3.31Å; I562-F603 WeakPolarHBondContact O-CA 3.45Å; I562-L604 HydrophobicContact CB-CB 4.08Å; I562-L604 HydrophobicContact CD1-CD2 4.43Å; I562-L604 HydrophobicContact CG2-CB 3.95Å; I562-L604 HydrophobicContact CG2-CD2 4.17Å; I562-L604 PolarHBondContact O-N 3.36Å
563N96.5Very high93.2Very high0 Ų047 Ų470%023%0.229CC..EExtended strand (participates in β ladder)trans-104.5120.5-176.5-63-96.5000109.8I521 G522 I523 T553 G557 D558 K561 R587 V601 F603I521-N563 PolarHBondContact O-N 3.42Å; I521-N563 PolarHBondContact O-ND2 2.91Å; G522-N563 CarbonylContact C-O 3.58Å; G522-N563 WeakPolarHBondContact CA-O 3.46Å; I523-N563 PolarHBondContact N-O 3.22Å; T553-N563 HydrophobicContact CG2-CB 4.18Å; G557-N563 VanDerWaalsContact CA-CG 3.41Å; G557-N563 WeakPolarHBondContact CA-ND2 3.37Å; G557-N563 VanDerWaalsContact CA-OD1 3.25Å; G557-N563 WeakPolarHBondContact CA-OD1 3.42Å; D558-N563 PolarHBondContact N-OD1 2.94Å; K561-N563 PolarHBondContact O-ND2 3.1Å; K561-N563 VanDerWaalsContact O-ND2 3.1Å; N563-R587 PolarHBondContact OD1-NH1 3.27Å; N563-V601 HydrophobicContact CB-CG1 4.19Å; N563-F603 WeakPolarHBondContact OD1-CE1 3.44Å
564V96.6Very high93.2Very high0 Ų049.1 Ų49.10%024%0.244CC..EExtended strand (participates in β ladder)trans-112.9123.1-175.4-177.10000109.7I523 I562 T568 L572 L584 V601 W602 L604I523-V564 HydrophobicContact CD1-CG2 4.39Å; I562-V564 HydrophobicContact CG2-CG2 4.38Å; V564-T568 HydrophobicContact CG1-CG2 3.65Å; V564-L572 HydrophobicContact CG1-CD1 4.31Å; V564-L584 HydrophobicContact CG2-CD2 4.49Å; V564-V601 WeakPolarHBondContact O-CA 3.41Å; V564-W602 HydrophobicContact CB-CB 4.45Å; V564-W602 PolarHBondContact N-O 3.25Å; V564-W602 PolarHBondContact O-N 3.3Å; V564-L604 HydrophobicContact CG2-CB 3.73Å
565S95.6Very high92.9Very high0 Ų053.1 Ų53.10%028%0.28CS..EExtended strand (participates in β ladder)trans-68.2160175.572.50000113I523 H524 Y567 T568 Y569 M599I523-S565 PolarHBondContact O-N 3.34Å; I523-S565 PolarHBondContact O-OG 3.38Å; H524-S565 WeakPolarHBondContact CA-OG 3.39Å; H524-S565 VanDerWaalsContact ND1-CB 3.34Å; H524-S565 WeakPolarHBondContact ND1-CB 3.48Å; H524-S565 PolarHBondContact ND1-OG 2.67Å; S565-Y567 VanDerWaalsContact C-N 3.25Å; S565-Y567 PolarHBondContact O-N 2.75Å; S565-T568 PolarHBondContact O-N 3.38Å; S565-T568 PolarHBondContact OG-N 2.99Å; S565-T568 PolarHBondContact OG-OG1 3.43Å; S565-Y569 PolarHBondContact O-N 3.27Å; S565-M599 VanDerWaalsContact CB-SD 3.55Å
566E94.6Very high92.8Very high25 Ų2555 Ų5512%0.11728%0.284CS..Hα-helixtrans-51.2-39174.3-172.8172.8-164.500115.1Y569 R570 K600 W602E566-Y569 PolarHBondContact O-N 3.15Å; E566-R570 WeakPolarHBondContact O-CG 3.25Å; E566-R570 PolarHBondContact O-N 3.34Å; E566-R570 IonicContact OE1-CZ 2.75Å; E566-R570 IonicContact OE1-NE 3.65Å; E566-R570 IonicContact OE1-NH2 3.96Å; E566-R570 PolarHBondContact OE1-NH2 3.34Å; E566-K600 HydrophobicContact CB-CB 4.22Å; E566-K600 HydrophobicContact CG-CB 4.4Å; E566-K600 PolarHBondContact N-O 3.28Å; E566-W602 HydrophobicContact CB-CH2 4.19Å; E566-W602 HydrophobicContact CB-CZ3 3.68Å; E566-W602 HydrophobicContact CG-CH2 4.02Å; E566-W602 HydrophobicContact CG-CZ3 4.03Å
567Y94.2Very high92.8Very high106 Ų10652.9 Ų52.942%0.41627%0.27SS..Hα-helixtrans-68.6-46.1-178.5-66.9-91.6000111.1H524 T525 S565 Y569 R570 C571 M599H524-Y567 AromaticContact CE1-CD2 3.5Å; T525-Y567 VanDerWaalsContact O-CB 3.3Å; T525-Y567 WeakPolarHBondContact O-CB 3.27Å; S565-Y567 VanDerWaalsContact C-N 3.25Å; S565-Y567 PolarHBondContact O-N 2.75Å; Y567-Y569 VanDerWaalsContact C-N 3.33Å; Y567-Y569 PolarHBondContact O-N 3.32Å; Y567-R570 PolarHBondContact O-N 3.42Å; Y567-C571 PolarHBondContact O-N 2.89Å; Y567-C571 PolarHBondContact O-SG 3.17Å; Y567-C571 VanDerWaalsContact O-SG 3.39Å; Y567-M599 HydrophobicContact CE2-CE 4.45Å
568T95.6Very high92.9Very high0 Ų054.5 Ų54.50%028%0.282CS..Hα-helixtrans-63.8-39.8174.5-53.70000111.3T421 A493 I523 H524 T525 V564 S565 R570 C571 L572T421-T568 HydrophobicContact CG2-CG2 4.45Å; A493-T568 HydrophobicContact CB-CG2 4.31Å; I523-T568 HydrophobicContact CG2-CG2 3.81Å; H524-T568 VanDerWaalsContact C-OG1 3.29Å; H524-T568 VanDerWaalsContact CA-OG1 3.25Å; H524-T568 WeakPolarHBondContact CA-OG1 3.36Å; T525-T568 PolarHBondContact N-OG1 3.2Å; T525-T568 VanDerWaalsContact N-OG1 3.09Å; T525-T568 PolarHBondContact OG1-OG1 3.08Å; V564-T568 HydrophobicContact CG1-CG2 3.65Å; S565-T568 PolarHBondContact O-N 3.38Å; S565-T568 PolarHBondContact OG-N 2.99Å; S565-T568 PolarHBondContact OG-OG1 3.43Å; T568-R570 PolarHBondContact O-N 3.45Å; T568-C571 WeakPolarHBondContact O-CB 3.43Å; T568-C571 PolarHBondContact O-N 3.49Å; T568-C571 VanDerWaalsContact O-N 3.14Å; T568-L572 HydrophobicContact CG2-CD1 4.23Å; T568-L572 HydrophobicContact CG2-CG 4.37Å; T568-L572 WeakPolarHBondContact O-CG 3.42Å; T568-L572 PolarHBondContact O-N 3.32Å
569Y95.4Very high92.8Very high54 Ų5452.6 Ų52.621%0.21227%0.272CS..Hα-helixtrans-58.1-46.9176.1175.8-105.3000111.9S565 E566 Y567 C571 L572 Q573 L584 W602S565-Y569 PolarHBondContact O-N 3.27Å; E566-Y569 PolarHBondContact O-N 3.15Å; Y567-Y569 VanDerWaalsContact C-N 3.33Å; Y567-Y569 PolarHBondContact O-N 3.32Å; Y569-C571 VanDerWaalsContact C-N 3.32Å; Y569-C571 PolarHBondContact O-N 3.46Å; Y569-L572 PolarHBondContact O-N 2.62Å; Y569-Q573 HydrophobicContact CE1-CG 4.31Å; Y569-Q573 WeakPolarHBondContact O-CG 3.48Å; Y569-Q573 PolarHBondContact O-N 2.88Å; Y569-Q573 VanDerWaalsContact O-N 3.13Å; Y569-Q573 PolarHBondContact OH-NE2 3.38Å; Y569-L584 HydrophobicContact CD2-CB 4.33Å; Y569-L584 HydrophobicContact CD2-CD1 4.04Å; Y569-L584 HydrophobicContact CD2-CD2 4.01Å; Y569-L584 HydrophobicContact CD2-CG 4.34Å; Y569-L584 HydrophobicContact CE2-CB 3.99Å; Y569-L584 HydrophobicContact CE2-CD1 4.01Å; Y569-L584 HydrophobicContact CE2-CG 4.39Å; Y569-W602 HydrophobicContact CD1-CD2 4.12Å; Y569-W602 AromaticContact CD1-CE2 3.68Å; Y569-W602 HydrophobicContact CD1-CE3 4.38Å; Y569-W602 AromaticContact CD1-CH2 3.91Å; Y569-W602 HydrophobicContact CD1-CH2 3.91Å; Y569-W602 AromaticContact CD1-CZ2 3.57Å; Y569-W602 HydrophobicContact CD1-CZ2 3.57Å; Y569-W602 HydrophobicContact CD1-CZ3 4.32Å; Y569-W602 AromaticContact CD2-CD1 3.86Å; Y569-W602 AromaticContact CD2-CD2 3.9Å; Y569-W602 HydrophobicContact CD2-CD2 3.9Å; Y569-W602 AromaticContact CD2-CE2 3.96Å; Y569-W602 AromaticContact CD2-CG 3.86Å; Y569-W602 HydrophobicContact CD2-CG 3.86Å; Y569-W602 AromaticContact CD2-NE1 3.9Å; Y569-W602 AromaticContact CE1-CE2 3.78Å; Y569-W602 HydrophobicContact CE1-CH2 4.44Å; Y569-W602 AromaticContact CE1-CZ2 3.69Å; Y569-W602 HydrophobicContact CE1-CZ2 3.69Å; Y569-W602 AromaticContact CE1-NE1 3.91Å; Y569-W602 AromaticContact CE2-CD1 3.74Å; Y569-W602 HydrophobicContact CE2-CD2 4.39Å; Y569-W602 HydrophobicContact CE2-CG 4.21Å; Y569-W602 AromaticContact CE2-NE1 3.61Å; Y569-W602 AromaticContact CG-CD2 3.73Å; Y569-W602 HydrophobicContact CG-CD2 3.73Å; Y569-W602 AromaticContact CG-CE2 3.75Å; Y569-W602 HydrophobicContact CG-CE3 4.01Å; Y569-W602 HydrophobicContact CG-CG 4.19Å; Y569-W602 HydrophobicContact CG-CH2 4.36Å; Y569-W602 HydrophobicContact CG-CZ2 4.08Å; Y569-W602 HydrophobicContact CG-CZ3 4.35Å; Y569-W602 AromaticContact CZ-CE2 3.96Å; Y569-W602 AromaticContact CZ-NE1 3.61Å
570R93.7Very high92.7Very high140 Ų14050.1 Ų50.153%0.52827%0.272SS..Hα-helixtrans-61.6-39.4174.9-69.5176.6-168.9-177.53.2112E566 Y567 T568 Q573E566-R570 WeakPolarHBondContact O-CG 3.25Å; E566-R570 PolarHBondContact O-N 3.34Å; E566-R570 IonicContact OE1-CZ 2.75Å; E566-R570 IonicContact OE1-NE 3.65Å; E566-R570 IonicContact OE1-NH2 3.96Å; E566-R570 PolarHBondContact OE1-NH2 3.34Å; Y567-R570 PolarHBondContact O-N 3.42Å; T568-R570 PolarHBondContact O-N 3.45Å; R570-Q573 PolarHBondContact O-N 3.44Å
571C92.8Very high92.7Very high29 Ų2953.4 Ų53.420%0.19628%0.28CS..Hα-helixtrans-60.5-45.4173.3-69.80000111.3A493 Y567 T568 Y569 Q573 S574 N577A493-C571 HydrophobicContact CB-CB 4.06Å; Y567-C571 PolarHBondContact O-N 2.89Å; Y567-C571 PolarHBondContact O-SG 3.17Å; Y567-C571 VanDerWaalsContact O-SG 3.39Å; T568-C571 WeakPolarHBondContact O-CB 3.43Å; T568-C571 PolarHBondContact O-N 3.49Å; T568-C571 VanDerWaalsContact O-N 3.14Å; Y569-C571 VanDerWaalsContact C-N 3.32Å; Y569-C571 PolarHBondContact O-N 3.46Å; C571-Q573 PolarHBondContact O-N 3.06Å; C571-S574 VanDerWaalsContact O-CB 3.29Å; C571-S574 WeakPolarHBondContact O-CB 3.24Å; C571-S574 PolarHBondContact O-N 3.15Å; C571-S574 PolarHBondContact O-OG 2.86Å; C571-N577 WeakPolarHBondContact O-CB 3.32Å
572L93.2Very high92.7Very high8 Ų849.9 Ų49.94%0.04227%0.265CS..Hα-helixtrans-65.6-18178.2-66.9171.1000113.9A493 V564 T568 Y569 S574 N577 A578 F582 L584A493-L572 HydrophobicContact CB-CD2 4.17Å; V564-L572 HydrophobicContact CG1-CD1 4.31Å; T568-L572 HydrophobicContact CG2-CD1 4.23Å; T568-L572 HydrophobicContact CG2-CG 4.37Å; T568-L572 WeakPolarHBondContact O-CG 3.42Å; T568-L572 PolarHBondContact O-N 3.32Å; Y569-L572 PolarHBondContact O-N 2.62Å; L572-S574 VanDerWaalsContact C-N 3.33Å; L572-N577 HydrophobicContact CD2-CB 4.43Å; L572-A578 VanDerWaalsContact O-CA 3.26Å; L572-A578 WeakPolarHBondContact O-CA 3.36Å; L572-A578 WeakPolarHBondContact O-CB 3.41Å; L572-F582 HydrophobicContact CD2-CD2 4.08Å; L572-F582 HydrophobicContact CD2-CE2 4Å; L572-L584 HydrophobicContact CD1-CD1 4.27Å; L572-L584 HydrophobicContact CD1-CD2 4.19Å
573Q90.7Very high92.5Very high121 Ų12153.5 Ų53.557%0.56528%0.281SS*.THydrogen-bonded Turntrans-80.4-14.1172.1-68.8-178.6-39.200113.2Y569 R570 C571Y569-Q573 HydrophobicContact CE1-CG 4.31Å; Y569-Q573 WeakPolarHBondContact O-CG 3.48Å; Y569-Q573 PolarHBondContact O-N 2.88Å; Y569-Q573 VanDerWaalsContact O-N 3.13Å; Y569-Q573 PolarHBondContact OH-NE2 3.38Å; R570-Q573 PolarHBondContact O-N 3.44Å; C571-Q573 PolarHBondContact O-N 3.06Å
574S91Very high92.4Very high46 Ų4655.8 Ų55.832%0.32229%0.294SS..SBendtrans-74.6150.1175.573.60000111.4C571 L572 E576 N577 A578C571-S574 VanDerWaalsContact O-CB 3.29Å; C571-S574 WeakPolarHBondContact O-CB 3.24Å; C571-S574 PolarHBondContact O-N 3.15Å; C571-S574 PolarHBondContact O-OG 2.86Å; L572-S574 VanDerWaalsContact C-N 3.33Å; S574-E576 PolarHBondContact O-N 3.35Å; S574-E576 VanDerWaalsContact O-N 3.15Å; S574-N577 PolarHBondContact O-N 3.44Å; S574-A578 VanDerWaalsContact O-CB 3.27Å; S574-A578 WeakPolarHBondContact O-CB 3.23Å; S574-A578 PolarHBondContact O-N 2.81Å
575A87.6Confident92.3Very high102 Ų10260.9 Ų60.984%0.84332%0.317SS*.THydrogen-bonded Turntrans-58.1-29.8-17900000113.6
576E88.1Confident92.2Very high122 Ų12266.4 Ų66.457%0.5734%0.339SS*.THydrogen-bonded Turntrans-75.7-27.9-177.4-61.8179178.300113.3T490 H491 S574T490-E576 WeakPolarHBondContact CB-OE2 3.48Å; H491-E576 WeakPolarHBondContact CB-O 3.27Å; S574-E576 PolarHBondContact O-N 3.35Å; S574-E576 VanDerWaalsContact O-N 3.15Å
577N90.8Very high92.1Very high3 Ų368.6 Ų68.62%0.01635%0.346CS..THydrogen-bonded Turntrans-115.6-8.4-175.7-73.5-86.2000113.7T490 H491 H492 A493 K494 C571 L572 S574T490-N577 PolarHBondContact O-ND2 2.86Å; H491-N577 WeakPolarHBondContact CA-OD1 3.31Å; H491-N577 PolarHBondContact O-OD1 2.86Å; H492-N577 PolarHBondContact N-OD1 3.33Å; A493-N577 HydrophobicContact CB-CB 4.31Å; A493-N577 WeakPolarHBondContact CB-OD1 3.47Å; A493-N577 PolarHBondContact N-OD1 2.98Å; K494-N577 HydrophobicContact CB-CB 4.34Å; K494-N577 PolarHBondContact N-OD1 3.46Å; C571-N577 WeakPolarHBondContact O-CB 3.32Å; L572-N577 HydrophobicContact CD2-CB 4.43Å; S574-N577 PolarHBondContact O-N 3.44Å
578A89.8Confident91.9Very high47 Ų4764 Ų6439%0.38833%0.331SS..  trans-64.4138.3175.700000111L572 S574L572-A578 VanDerWaalsContact O-CA 3.26Å; L572-A578 WeakPolarHBondContact O-CA 3.36Å; L572-A578 WeakPolarHBondContact O-CB 3.41Å; S574-A578 VanDerWaalsContact O-CB 3.27Å; S574-A578 WeakPolarHBondContact O-CB 3.23Å; S574-A578 PolarHBondContact O-N 2.81Å
579D90.6Very high91.8Very high24 Ų2468.3 Ų68.313%0.12836%0.359CS..  trans-139128.3171.3-163-53.3000108.7K494 H498 Q581 F582K494-D579 HydrophobicContact CD-CB 4.48Å; K494-D579 WeakPolarHBondContact CE-OD2 3.32Å; K494-D579 IonicContact NZ-OD2 3.77Å; K494-D579 PolarHBondContact NZ-OD2 3.45Å; H498-D579 IonicContact CE1-OD2 3.82Å; H498-D579 IonicContact NE2-OD2 3.77Å; H498-D579 PolarHBondContact NE2-OD2 3.07Å; D579-Q581 PolarHBondContact O-N 2.67Å; D579-Q581 VanDerWaalsContact O-N 3.13Å; D579-Q581 WeakPolarHBondContact OD1-CB 3.43Å; D579-Q581 WeakPolarHBondContact OD1-CG 3.38Å; D579-Q581 PolarHBondContact OD1-N 2.86Å; D579-F582 HydrophobicContact CB-CD1 4.38Å; D579-F582 HydrophobicContact CB-CD2 3.53Å; D579-F582 HydrophobicContact CB-CE1 4.28Å; D579-F582 HydrophobicContact CB-CE2 3.41Å; D579-F582 VanDerWaalsContact CB-CE2 3.41Å; D579-F582 HydrophobicContact CB-CG 4.02Å; D579-F582 HydrophobicContact CB-CZ 3.82Å; D579-F582 PolarHBondContact O-N 2.92Å; D579-F582 VanDerWaalsContact O-N 3.13Å
580P88.8Confident91.6Very high104 Ų10466.8 Ų66.868%0.67536%0.355SS*.THydrogen-bonded Turntrans-60.5-21.7179.924.8-35.2000113.4F582 K607P580-F582 VanDerWaalsContact C-N 3.28Å; P580-F582 PolarHBondContact O-N 3.36Å; P580-K607 WeakPolarHBondContact O-CD 3.43Å; P580-K607 WeakPolarHBondContact O-CE 3.42Å; P580-K607 PolarHBondContact O-NZ 2.93Å
581Q90.6Very high91.4Very high95 Ų9565.6 Ų65.644%0.44436%0.364SS..THydrogen-bonded Turntrans-71.3-21.1178.5-63.9-17610.200113.4D579 R606 K607D579-Q581 PolarHBondContact O-N 2.67Å; D579-Q581 VanDerWaalsContact O-N 3.13Å; D579-Q581 WeakPolarHBondContact OD1-CB 3.43Å; D579-Q581 WeakPolarHBondContact OD1-CG 3.38Å; D579-Q581 PolarHBondContact OD1-N 2.86Å; Q581-R606 WeakPolarHBondContact O-CA 3.25Å; Q581-K607 PolarHBondContact O-N 3.21Å
582F93.3Very high91.1Very high14 Ų1464.5 Ų64.56%0.06136%0.356CS..EExtended strand (participates in β ladder)trans-79.2124.6-177.9-59-25.1000111.1K494 C497 H498 L501 L572 D579 P580 L604 K607K494-F582 HydrophobicContact CB-CE2 4.48Å; K494-F582 HydrophobicContact CG-CE2 4.15Å; K494-F582 HydrophobicContact CG-CZ 4.22Å; C497-F582 HydrophobicContact CB-CE1 4.04Å; C497-F582 HydrophobicContact CB-CE2 3.86Å; C497-F582 HydrophobicContact CB-CZ 3.6Å; H498-F582 AromaticContact CD2-CZ 3.6Å; H498-F582 AromaticContact CE1-CE1 3.56Å; H498-F582 AromaticContact CE1-CZ 3.79Å; H498-F582 AromaticContact CG-CZ 3.94Å; H498-F582 AromaticContact ND1-CE1 3.73Å; H498-F582 AromaticContact NE2-CE1 3.78Å; H498-F582 AromaticContact NE2-CZ 3.5Å; H498-F582 WeakPolarHBondContact NE2-CZ 3.32Å; L501-F582 HydrophobicContact CD1-CD1 3.96Å; L501-F582 HydrophobicContact CD1-CE1 3.81Å; L572-F582 HydrophobicContact CD2-CD2 4.08Å; L572-F582 HydrophobicContact CD2-CE2 4Å; D579-F582 HydrophobicContact CB-CD1 4.38Å; D579-F582 HydrophobicContact CB-CD2 3.53Å; D579-F582 HydrophobicContact CB-CE1 4.28Å; D579-F582 HydrophobicContact CB-CE2 3.41Å; D579-F582 VanDerWaalsContact CB-CE2 3.41Å; D579-F582 HydrophobicContact CB-CG 4.02Å; D579-F582 HydrophobicContact CB-CZ 3.82Å; D579-F582 PolarHBondContact O-N 2.92Å; D579-F582 VanDerWaalsContact O-N 3.13Å; P580-F582 VanDerWaalsContact C-N 3.28Å; P580-F582 PolarHBondContact O-N 3.36Å; F582-L604 HydrophobicContact CB-CD1 3.76Å; F582-L604 HydrophobicContact CD1-CD1 4.15Å; F582-L604 HydrophobicContact CG-CD1 4.01Å; F582-K607 WeakPolarHBondContact O-CE 3.41Å
583H94.1Very high90.5Very high83 Ų8372.3 Ų72.338%0.38439%0.389SS..EExtended strand (participates in β ladder)trans-106.5126.6168-176.172.5000109.3L604 S605 K607H583-L604 WeakPolarHBondContact O-CA 3.5Å; H583-S605 PolarHBondContact CD2-OG 3.11Å; H583-S605 PolarHBondContact N-O 2.93Å; H583-S605 PolarHBondContact O-N 3.48Å; H583-K607 HydrophobicContact CB-CG 3.82Å
584L92.9Very high89.7Confident49 Ų4969.4 Ų69.426%0.25739%0.392SS..EExtended strand (participates in β ladder)trans-120.9113.7-174.9-73.4144.2000110.1V564 Y569 L572 W602 F603 L604V564-L584 HydrophobicContact CG2-CD2 4.49Å; Y569-L584 HydrophobicContact CD2-CB 4.33Å; Y569-L584 HydrophobicContact CD2-CD1 4.04Å; Y569-L584 HydrophobicContact CD2-CD2 4.01Å; Y569-L584 HydrophobicContact CD2-CG 4.34Å; Y569-L584 HydrophobicContact CE2-CB 3.99Å; Y569-L584 HydrophobicContact CE2-CD1 4.01Å; Y569-L584 HydrophobicContact CE2-CG 4.39Å; L572-L584 HydrophobicContact CD1-CD1 4.27Å; L572-L584 HydrophobicContact CD1-CD2 4.19Å; L584-W602 HydrophobicContact CD2-CB 4.16Å; L584-F603 CarbonylContact C-O 3.56Å; L584-F603 VanDerWaalsContact CA-O 3.26Å; L584-F603 WeakPolarHBondContact CA-O 3.49Å; L584-L604 HydrophobicContact CD2-CD1 4.2Å; L584-L604 HydrophobicContact CG-CD1 4.28Å
585E94.9Very high89.2Confident107 Ų10769.6 Ų69.650%0.539%0.387SS..EExtended strand (participates in β ladder)trans-104.6130.2179.7-173.3-172179.200110.2R587 W602 F603E585-R587 PolarHBondContact O-N 3.17Å; E585-W602 CarbonylContact O-C 3.56Å; E585-W602 WeakPolarHBondContact O-CA 3.42Å; E585-W602 WeakPolarHBondContact O-CB 3.45Å; E585-F603 HydrophobicContact CB-CB 4.35Å; E585-F603 PolarHBondContact N-O 3.36Å; E585-F603 PolarHBondContact O-N 2.98Å
586Y94.5Very high88.8Confident116 Ų11675.1 Ų75.146%0.45539%0.392SS..EExtended strand (participates in β ladder)trans-75.4118.8-179.5-178.6-118.7000111.5K600 W602Y586-K600 HydrophobicContact CE2-CB 4.04Å; Y586-K600 HydrophobicContact CE2-CD 4.5Å; Y586-K600 HydrophobicContact CE2-CG 4.28Å; Y586-W602 HydrophobicContact CD2-CD2 4.1Å; Y586-W602 AromaticContact CD2-CE2 3.58Å; Y586-W602 HydrophobicContact CD2-CG 4.47Å; Y586-W602 HydrophobicContact CD2-CH2 4.42Å; Y586-W602 AromaticContact CD2-CZ2 3.79Å; Y586-W602 HydrophobicContact CD2-CZ2 3.79Å; Y586-W602 AromaticContact CD2-NE1 3.67Å; Y586-W602 HydrophobicContact CE2-CH2 4.29Å; Y586-W602 HydrophobicContact CE2-CZ2 4.02Å
587R90.9Very high88.8Confident71 Ų7176.4 Ų76.427%0.26840%0.398SS..EExtended strand (participates in β ladder)trans-82.7-39.8179.3-178.3-174.4-176.9-155.9-7.8112.4T556 D558 N563 E585 V601 F603T556-R587 PolarHBondContact O-NH1 3.39Å; T556-R587 PolarHBondContact O-NH2 3.09Å; D558-R587 IonicContact OD1-CZ 3.71Å; D558-R587 VanDerWaalsContact OD1-CZ 3.23Å; D558-R587 IonicContact OD1-NE 2.93Å; D558-R587 PolarHBondContact OD1-NE 3.28Å; D558-R587 IonicContact OD1-NH2 3.79Å; D558-R587 PolarHBondContact OD1-NH2 3.06Å; D558-R587 IonicContact OD2-NE 2.9Å; N563-R587 PolarHBondContact OD1-NH1 3.27Å; E585-R587 PolarHBondContact O-N 3.17Å; R587-V601 HydrophobicContact CB-CB 4.5Å; R587-V601 WeakPolarHBondContact CB-O 3.49Å; R587-V601 PolarHBondContact N-O 3.4Å; R587-F603 HydrophobicContact CB-CD2 4.23Å; R587-F603 HydrophobicContact CB-CE1 4.45Å; R587-F603 HydrophobicContact CB-CE2 3.73Å; R587-F603 HydrophobicContact CB-CZ 3.86Å; R587-F603 HydrophobicContact CG-CE1 4.19Å; R587-F603 HydrophobicContact CG-CE2 3.7Å; R587-F603 HydrophobicContact CG-CZ 3.43Å; R587-F603 VanDerWaalsContact CG-CZ 3.43Å
588G91.3Very high88.7Confident10 Ų1079.3 Ų79.310%0.10342%0.417CS..EExtended strand (participates in β ladder)trans122.6-178.1-171.900000114.1V601G588-V601 PolarHBondContact O-N 2.83Å; G588-V601 VanDerWaalsContact O-N 3.12Å
589P92.6Very high88.7Confident89 Ų8977.1 Ų77.158%0.57840%0.398SS*.EExtended strand (participates in β ladder)trans-77.9132177.729.4-31.5000112.5P598 M599P589-P598 HydrophobicContact CB-CB 3.63Å; P589-M599 CarbonylContact C-O 3.48Å; P589-M599 WeakPolarHBondContact CA-O 3.28Å
590V91.9Very high88.9Confident22 Ų2280.4 Ų80.413%0.13341%0.412CS..EExtended strand (participates in β ladder)trans-119.5125.7177.4-178.10000110.2M592 P598 M599 V601V590-M592 HydrophobicContact CB-CE 4.34Å; V590-M592 HydrophobicContact CG1-CE 4.23Å; V590-M592 HydrophobicContact CG1-CG 4.42Å; V590-M592 PolarHBondContact O-N 3.44Å; V590-P598 CarbonylContact O-C 3.6Å; V590-P598 WeakPolarHBondContact O-CA 3.3Å; V590-M599 PolarHBondContact N-O 3.33Å; V590-M599 PolarHBondContact O-N 3.04Å; V590-V601 HydrophobicContact CB-CG2 4.17Å; V590-V601 HydrophobicContact CG2-CB 4.29Å; V590-V601 HydrophobicContact CG2-CG2 3.87Å
591T89.3Confident89.2Confident115 Ų11575.5 Ų75.571%0.70638%0.38SS*.  trans-76.8118.8177.4-54.70000110.2
592M87.3Confident89.5Confident6 Ų672 Ų723%0.0336%0.363CS..  trans-118.5134.7177.7-61.5-178.6-172.900109.7R552 T553 V590 G594 K595 M599 V601R552-M592 HydrophobicContact CB-CG 4.41Å; R552-M592 HydrophobicContact CB-SD 4.14Å; T553-M592 HydrophobicContact CG2-CE 4.45Å; V590-M592 HydrophobicContact CB-CE 4.34Å; V590-M592 HydrophobicContact CG1-CE 4.23Å; V590-M592 HydrophobicContact CG1-CG 4.42Å; V590-M592 PolarHBondContact O-N 3.44Å; M592-G594 PolarHBondContact O-N 2.97Å; M592-K595 PolarHBondContact O-N 3.3Å; M592-M599 HydrophobicContact CE-CB 4.2Å; M592-M599 HydrophobicContact CE-CG 4.47Å; M592-M599 HydrophobicContact CE-SD 3.98Å; M592-M599 HydrophobicContact SD-CB 4.24Å; M592-M599 HydrophobicContact SD-CE 4.27Å; M592-M599 HydrophobicContact SD-SD 3.95Å; M592-V601 HydrophobicContact CE-CG2 4.14Å
593K79.4Confident89.6Confident173 Ų17372.2 Ų72.275%0.75236%0.363SS*.THydrogen-bonded Turntrans-52141.9170-171.1172.8-178.31770108.6R552 K595R552-K593 WeakPolarHBondContact CD-O 3.39Å; R552-K593 VanDerWaalsContact CZ-O 3.25Å; R552-K593 PolarHBondContact NE-O 3.27Å; R552-K593 VanDerWaalsContact NH1-C 3.31Å; R552-K593 PolarHBondContact NH1-O 3.13Å; K593-K595 VanDerWaalsContact C-N 3.33Å; K593-K595 PolarHBondContact O-N 3.01Å
594G73.2Confident89.7Confident59 Ų5968.7 Ų68.761%0.60835%0.347SS*.THydrogen-bonded Turntrans81.1-1.2179.700000116.4M592M592-G594 PolarHBondContact O-N 2.97Å
595K80.6Confident89.7Confident50 Ų5068.9 Ų68.922%0.21735%0.353CS..  trans-118.3132.9166.9-159.2178.3176.2179.70109.4M592 K593 E597 M599M592-K595 PolarHBondContact O-N 3.3Å; K593-K595 VanDerWaalsContact C-N 3.33Å; K593-K595 PolarHBondContact O-N 3.01Å; K595-E597 VanDerWaalsContact CD-O 3.28Å; K595-E597 WeakPolarHBondContact CD-O 3.48Å; K595-E597 VanDerWaalsContact CG-O 3.25Å; K595-E597 WeakPolarHBondContact CG-O 3.37Å; K595-M599 HydrophobicContact CD-CB 4.02Å; K595-M599 HydrophobicContact CD-CE 3.82Å
596K80.3Confident89.5Confident218 Ų21867.6 Ų67.695%0.94834%0.343SS*.SBendtrans-70.6-37.1-179.5-68.9-176.1178.6179.70112.2
597E87Confident89Confident149 Ų14967.3 Ų67.370%0.69634%0.344SS*.SBendtrans-106.8144.7177.9-66178.6-179.300110.6K595 M599K595-E597 VanDerWaalsContact CD-O 3.28Å; K595-E597 WeakPolarHBondContact CD-O 3.48Å; K595-E597 VanDerWaalsContact CG-O 3.25Å; K595-E597 WeakPolarHBondContact CG-O 3.37Å; E597-M599 PolarHBondContact O-N 2.77Å
598P88.6Confident87.9Confident64 Ų6469.3 Ų69.342%0.41637%0.365SS..PPolyproline II helixtrans-53.2133.6173-26.135.2000111.9P589 V590P589-P598 HydrophobicContact CB-CB 3.63Å; V590-P598 CarbonylContact O-C 3.6Å; V590-P598 WeakPolarHBondContact O-CA 3.3Å
599M91.4Very high85.9Confident1 Ų176.5 Ų76.51%0.00540%0.401CS..EExtended strand (participates in β ladder)trans-79.7128.4177.6-176.6172.5-68.100109.7L549 S565 Y567 P589 V590 M592 K595 E597 V601L549-M599 HydrophobicContact CD1-CE 4.43Å; L549-M599 HydrophobicContact CD2-CE 4.41Å; S565-M599 VanDerWaalsContact CB-SD 3.55Å; Y567-M599 HydrophobicContact CE2-CE 4.45Å; P589-M599 CarbonylContact C-O 3.48Å; P589-M599 WeakPolarHBondContact CA-O 3.28Å; V590-M599 PolarHBondContact N-O 3.33Å; V590-M599 PolarHBondContact O-N 3.04Å; M592-M599 HydrophobicContact CE-CB 4.2Å; M592-M599 HydrophobicContact CE-CG 4.47Å; M592-M599 HydrophobicContact CE-SD 3.98Å; M592-M599 HydrophobicContact SD-CB 4.24Å; M592-M599 HydrophobicContact SD-CE 4.27Å; M592-M599 HydrophobicContact SD-SD 3.95Å; K595-M599 HydrophobicContact CD-CB 4.02Å; K595-M599 HydrophobicContact CD-CE 3.82Å; E597-M599 PolarHBondContact O-N 2.77Å; M599-V601 HydrophobicContact CG-CG2 4.45Å
600K93.8Very high83.6Confident94 Ų9479 Ų7941%0.40941%0.409SS..EExtended strand (participates in β ladder)trans-68.8134.4168.7-66.4179.9-174.4172.10109.4E566 Y586 W602E566-K600 HydrophobicContact CB-CB 4.22Å; E566-K600 HydrophobicContact CG-CB 4.4Å; E566-K600 PolarHBondContact N-O 3.28Å; Y586-K600 HydrophobicContact CE2-CB 4.04Å; Y586-K600 HydrophobicContact CE2-CD 4.5Å; Y586-K600 HydrophobicContact CE2-CG 4.28Å; K600-W602 HydrophobicContact CB-CH2 3.42Å; K600-W602 VanDerWaalsContact CB-CH2 3.42Å; K600-W602 HydrophobicContact CB-CZ2 4.46Å; K600-W602 HydrophobicContact CB-CZ3 3.44Å; K600-W602 VanDerWaalsContact CB-CZ3 3.44Å; K600-W602 HydrophobicContact CD-CH2 4.17Å; K600-W602 HydrophobicContact CG-CH2 4.43Å; K600-W602 VanDerWaalsContact O-CZ3 3.25Å; K600-W602 WeakPolarHBondContact O-CZ3 3.33Å
601V94.9Very high81.1Confident1 Ų184.3 Ų84.31%0.00644%0.442CS..EExtended strand (participates in β ladder)trans-128.4147.3-177.7-179.90000110.2N563 V564 R587 G588 V590 M592 M599N563-V601 HydrophobicContact CB-CG1 4.19Å; V564-V601 WeakPolarHBondContact O-CA 3.41Å; R587-V601 HydrophobicContact CB-CB 4.5Å; R587-V601 WeakPolarHBondContact CB-O 3.49Å; R587-V601 PolarHBondContact N-O 3.4Å; G588-V601 PolarHBondContact O-N 2.83Å; G588-V601 VanDerWaalsContact O-N 3.12Å; V590-V601 HydrophobicContact CB-CG2 4.17Å; V590-V601 HydrophobicContact CG2-CB 4.29Å; V590-V601 HydrophobicContact CG2-CG2 3.87Å; M592-V601 HydrophobicContact CE-CG2 4.14Å; M599-V601 HydrophobicContact CG-CG2 4.45Å
602W96.6Very high78.5Confident22 Ų2287.8 Ų87.88%0.08345%0.45CS..EExtended strand (participates in β ladder)trans-124152.8175.9-69.5-104.3000110.5V564 E566 Y569 L584 E585 Y586 K600V564-W602 HydrophobicContact CB-CB 4.45Å; V564-W602 PolarHBondContact N-O 3.25Å; V564-W602 PolarHBondContact O-N 3.3Å; E566-W602 HydrophobicContact CB-CH2 4.19Å; E566-W602 HydrophobicContact CB-CZ3 3.68Å; E566-W602 HydrophobicContact CG-CH2 4.02Å; E566-W602 HydrophobicContact CG-CZ3 4.03Å; Y569-W602 HydrophobicContact CD1-CD2 4.12Å; Y569-W602 AromaticContact CD1-CE2 3.68Å; Y569-W602 HydrophobicContact CD1-CE3 4.38Å; Y569-W602 AromaticContact CD1-CH2 3.91Å; Y569-W602 HydrophobicContact CD1-CH2 3.91Å; Y569-W602 AromaticContact CD1-CZ2 3.57Å; Y569-W602 HydrophobicContact CD1-CZ2 3.57Å; Y569-W602 HydrophobicContact CD1-CZ3 4.32Å; Y569-W602 AromaticContact CD2-CD1 3.86Å; Y569-W602 AromaticContact CD2-CD2 3.9Å; Y569-W602 HydrophobicContact CD2-CD2 3.9Å; Y569-W602 AromaticContact CD2-CE2 3.96Å; Y569-W602 AromaticContact CD2-CG 3.86Å; Y569-W602 HydrophobicContact CD2-CG 3.86Å; Y569-W602 AromaticContact CD2-NE1 3.9Å; Y569-W602 AromaticContact CE1-CE2 3.78Å; Y569-W602 HydrophobicContact CE1-CH2 4.44Å; Y569-W602 AromaticContact CE1-CZ2 3.69Å; Y569-W602 HydrophobicContact CE1-CZ2 3.69Å; Y569-W602 AromaticContact CE1-NE1 3.91Å; Y569-W602 AromaticContact CE2-CD1 3.74Å; Y569-W602 HydrophobicContact CE2-CD2 4.39Å; Y569-W602 HydrophobicContact CE2-CG 4.21Å; Y569-W602 AromaticContact CE2-NE1 3.61Å; Y569-W602 AromaticContact CG-CD2 3.73Å; Y569-W602 HydrophobicContact CG-CD2 3.73Å; Y569-W602 AromaticContact CG-CE2 3.75Å; Y569-W602 HydrophobicContact CG-CE3 4.01Å; Y569-W602 HydrophobicContact CG-CG 4.19Å; Y569-W602 HydrophobicContact CG-CH2 4.36Å; Y569-W602 HydrophobicContact CG-CZ2 4.08Å; Y569-W602 HydrophobicContact CG-CZ3 4.35Å; Y569-W602 AromaticContact CZ-CE2 3.96Å; Y569-W602 AromaticContact CZ-NE1 3.61Å; L584-W602 HydrophobicContact CD2-CB 4.16Å; E585-W602 CarbonylContact O-C 3.56Å; E585-W602 WeakPolarHBondContact O-CA 3.42Å; E585-W602 WeakPolarHBondContact O-CB 3.45Å; Y586-W602 HydrophobicContact CD2-CD2 4.1Å; Y586-W602 AromaticContact CD2-CE2 3.58Å; Y586-W602 HydrophobicContact CD2-CG 4.47Å; Y586-W602 HydrophobicContact CD2-CH2 4.42Å; Y586-W602 AromaticContact CD2-CZ2 3.79Å; Y586-W602 HydrophobicContact CD2-CZ2 3.79Å; Y586-W602 AromaticContact CD2-NE1 3.67Å; Y586-W602 HydrophobicContact CE2-CH2 4.29Å; Y586-W602 HydrophobicContact CE2-CZ2 4.02Å; K600-W602 HydrophobicContact CB-CH2 3.42Å; K600-W602 VanDerWaalsContact CB-CH2 3.42Å; K600-W602 HydrophobicContact CB-CZ2 4.46Å; K600-W602 HydrophobicContact CB-CZ3 3.44Å; K600-W602 VanDerWaalsContact CB-CZ3 3.44Å; K600-W602 HydrophobicContact CD-CH2 4.17Å; K600-W602 HydrophobicContact CG-CH2 4.43Å; K600-W602 VanDerWaalsContact O-CZ3 3.25Å; K600-W602 WeakPolarHBondContact O-CZ3 3.33Å
603F96.3Very high76.1Confident17 Ų1793 Ų938%0.07549%0.485CS..EExtended strand (participates in β ladder)trans-91.6141.1165.3-60.4-56.1000110.4D558 K561 I562 N563 L584 E585 R587D558-F603 HydrophobicContact CB-CE1 3.9Å; D558-F603 HydrophobicContact CB-CZ 4.02Å; D558-F603 VanDerWaalsContact OD2-CZ 3.23Å; D558-F603 WeakPolarHBondContact OD2-CZ 3.38Å; K561-F603 HydrophobicContact CB-CD1 3.92Å; K561-F603 HydrophobicContact CB-CE1 4.12Å; K561-F603 HydrophobicContact CD-CD1 3.7Å; K561-F603 HydrophobicContact CD-CD2 4.25Å; K561-F603 HydrophobicContact CD-CE1 3.65Å; K561-F603 HydrophobicContact CD-CE2 4.21Å; K561-F603 HydrophobicContact CD-CG 4.01Å; K561-F603 HydrophobicContact CD-CZ 3.91Å; K561-F603 HydrophobicContact CG-CD1 4.46Å; I562-F603 VanDerWaalsContact O-CA 3.31Å; I562-F603 WeakPolarHBondContact O-CA 3.45Å; N563-F603 WeakPolarHBondContact OD1-CE1 3.44Å; L584-F603 CarbonylContact C-O 3.56Å; L584-F603 VanDerWaalsContact CA-O 3.26Å; L584-F603 WeakPolarHBondContact CA-O 3.49Å; E585-F603 HydrophobicContact CB-CB 4.35Å; E585-F603 PolarHBondContact N-O 3.36Å; E585-F603 PolarHBondContact O-N 2.98Å; R587-F603 HydrophobicContact CB-CD2 4.23Å; R587-F603 HydrophobicContact CB-CE1 4.45Å; R587-F603 HydrophobicContact CB-CE2 3.73Å; R587-F603 HydrophobicContact CB-CZ 3.86Å; R587-F603 HydrophobicContact CG-CE1 4.19Å; R587-F603 HydrophobicContact CG-CE2 3.7Å; R587-F603 HydrophobicContact CG-CZ 3.43Å; R587-F603 VanDerWaalsContact CG-CZ 3.43Å
604L95.3Very high74.3Confident9 Ų990.8 Ų90.85%0.04749%0.488CS..EExtended strand (participates in β ladder)trans-107.2131.6172.6176.770.3000110.2C497 L501 I562 V564 F582 H583 L584C497-L604 HydrophobicContact CB-CD2 3.68Å; L501-L604 HydrophobicContact CD2-CG 4.38Å; L501-L604 HydrophobicContact CG-CD2 4.44Å; I562-L604 HydrophobicContact CB-CB 4.08Å; I562-L604 HydrophobicContact CD1-CD2 4.43Å; I562-L604 HydrophobicContact CG2-CB 3.95Å; I562-L604 HydrophobicContact CG2-CD2 4.17Å; I562-L604 PolarHBondContact O-N 3.36Å; V564-L604 HydrophobicContact CG2-CB 3.73Å; F582-L604 HydrophobicContact CB-CD1 3.76Å; F582-L604 HydrophobicContact CD1-CD1 4.15Å; F582-L604 HydrophobicContact CG-CD1 4.01Å; H583-L604 WeakPolarHBondContact O-CA 3.5Å; L584-L604 HydrophobicContact CD2-CD1 4.2Å; L584-L604 HydrophobicContact CG-CD1 4.28Å
605S93.6Very high72.7Confident53 Ų5392.4 Ų92.437%0.37150%0.495SS..EExtended strand (participates in β ladder)trans-140.6165.5169.559.60000111.2H583H583-S605 PolarHBondContact CD2-OG 3.11Å; H583-S605 PolarHBondContact N-O 2.93Å; H583-S605 PolarHBondContact O-N 3.48Å
606R91.1Very high71.1Confident80 Ų8096.9 Ų96.930%0.30253%0.526SS..EExtended strand (participates in β ladder)trans-75.3138.7167.8-65.3-165.2-159-106.65109.3L501 D502 E505 Q581 T608L501-R606 HydrophobicContact CD1-CG 3.84Å; L501-R606 HydrophobicContact CD2-CG 3.92Å; L501-R606 HydrophobicContact CG-CG 4.3Å; D502-R606 IonicContact OD1-CZ 3.99Å; D502-R606 IonicContact OD1-NH2 3.36Å; D502-R606 PolarHBondContact OD1-NH2 3.22Å; E505-R606 IonicContact OE1-CZ 3.95Å; E505-R606 IonicContact OE1-NE 2.62Å; E505-R606 PolarHBondContact OE1-NE 3.04Å; E505-R606 IonicContact OE1-NH2 2.76Å; E505-R606 PolarHBondContact OE1-NH2 3.26Å; E505-R606 IonicContact OE2-NH2 2.62Å; E505-R606 PolarHBondContact OE2-NH2 3.39Å; Q581-R606 WeakPolarHBondContact O-CA 3.25Å; R606-T608 PolarHBondContact O-N 3.43Å
607K84.3Confident69.2Low110 Ų11095.4 Ų95.448%0.47852%0.52SS..PPolyproline II helixtrans-64123.9165.2-72.3-172.8-168.9155.40109.2P580 Q581 F582 H583P580-K607 WeakPolarHBondContact O-CD 3.43Å; P580-K607 WeakPolarHBondContact O-CE 3.42Å; P580-K607 PolarHBondContact O-NZ 2.93Å; Q581-K607 PolarHBondContact O-N 3.21Å; F582-K607 WeakPolarHBondContact O-CE 3.41Å; H583-K607 HydrophobicContact CB-CG 3.82Å
608T66.5Low67.7Low113 Ų11397.9 Ų97.969%0.69355%0.549SS*.PPolyproline II helixtrans-74.6124166.542.90000108.4R606 D610R606-T608 PolarHBondContact O-N 3.43Å; T608-D610 PolarHBondContact O-N 3.41Å
609N49.6Very low66.7Low161 Ų16199.6 Ų99.686%0.86156%0.556SS**  trans-75.660170.6-81.6-11.8000110.1
610D43.8Very low65.4Low142 Ų142104.7 Ų104.776%0.75959%0.585SS**  trans-9985.7172-80.2-31.7000110.1T608T608-D610 PolarHBondContact O-N 3.41Å
611T40.7Very low63.8Low134 Ų134105.3 Ų105.382%0.82259%0.594SS**  trans-141.577.1152.147.60000109.9
612E33.3Very low62Low188 Ų188111.5 Ų111.588%0.87963%0.629SS**  trans-124118.6142.2-83.9-169.6163.600107.6
613P38.3Very low59.8Low116 Ų116117.1 Ų117.175%0.75366%0.663SS**PPolyproline II helixtrans-68.3148.6171.628.6-30.6000109.5A615P613-A615 PolarHBondContact O-N 2.59Å
614P41Very low57.4Low125 Ų125123.7 Ų123.781%0.81270%0.702SS**PPolyproline II helixtrans-61.3124-176.424.4-32000110.3V616P614-V616 PolarHBondContact O-N 3.5Å
615A39.3Very low54.7Low93 Ų93131.9 Ų131.977%0.76975%0.749SS**PPolyproline II helixtrans-57.3119.6174.600000110.3P613 K617P613-A615 PolarHBondContact O-N 2.59Å; A615-K617 PolarHBondContact O-N 3.44Å
616V47.6Very low51.7Low144 Ų144138 Ų13887%0.87378%0.778SS**  trans-61.6115.6167.2178.60000107.4P614P614-V616 PolarHBondContact O-N 3.5Å
617K41.1Very low48.4Very low187 Ų187142.8 Ų142.881%0.81382%0.818SS**  trans-75.5144.4170.6-79.5-176.6177.3179.30109.9A615A615-K617 PolarHBondContact O-N 3.44Å
618P55.1Low45.1Very low201 Ų201145.8 Ų145.8100%1.30585%0.849SS**  trans-66.50-179.828.7-34.8000113.4

Retrieved 618 of 618 residues in 284.9 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).