A0A023SER7_HUMAN Loading...

MHC class I polypeptide-related protein A

AlphaFold DB , UniProt , Accession A0A023SER7, Species HUMAN (Homo sapiens, Human), Gene MICA, Length 322 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
1P88.7Confident94.6Very high79 Ų7934.2 Ų34.251%0.51318%0.176SC..  0148.6024.1-35.6000109E96 I97P1-E96 HydrophobicContact CB-CB 4.49Å; P1-I97 CarbonylContact C-O 3.58Å; P1-I97 VanDerWaalsContact CA-O 3.27Å; P1-I97 WeakPolarHBondContact CA-O 3.41Å; P1-I97 WeakPolarHBondContact CB-O 3.45Å
2H91.6Very high94.5Very high79 Ų7931.3 Ų31.337%0.36616%0.161SC..EExtended strand (participates in β ladder)trans-77144.5165.9-70.1-65.8000109.4D28 E96 I97 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.47Å; H2-D28 WeakPolarHBondContact CB-OD1 3.39Å; H2-D28 IonicContact CE1-OD2 2.86Å; H2-D28 PolarHBondContact CE1-OD2 2.85Å; H2-D28 IonicContact CG-OD1 3.75Å; H2-D28 IonicContact CG-OD2 3.88Å; H2-D28 IonicContact ND1-OD1 3.68Å; H2-D28 PolarHBondContact ND1-OD1 3.35Å; H2-D28 IonicContact ND1-OD2 3.83Å; H2-D28 PolarHBondContact ND1-OD2 3.3Å; H2-E96 CarbonylContact O-C 3.49Å; H2-E96 WeakPolarHBondContact O-CA 3.4Å; H2-I97 PolarHBondContact N-O 3.44Å; H2-I97 PolarHBondContact O-N 2.85Å; H2-L167 HydrophobicContact CB-CD1 4.27Å; H2-L171 HydrophobicContact CB-CD1 3.85Å; H2-L171 HydrophobicContact CB-CD2 3.99Å; H2-L171 HydrophobicContact CB-CG 4.5Å; H2-L171 VanDerWaalsContact CG-CD2 3.49Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.36Å
3S94.8Very high94.1Very high22 Ų2230.6 Ų30.615%0.15417%0.166CC..EExtended strand (participates in β ladder)trans-143.1147.2-176.967.20000113.2L27 D28 C95S3-L27 WeakPolarHBondContact O-CA 3.48Å; S3-D28 PolarHBondContact N-OD1 3.45Å; S3-D28 PolarHBondContact O-N 2.86Å; S3-C95 CarbonylContact C-O 3.53Å; S3-C95 VanDerWaalsContact CA-O 3.28Å; S3-C95 WeakPolarHBondContact CA-O 3.41Å
4L96.3Very high93.3Very high0 Ų037.8 Ų37.80%020%0.204CC..EExtended strand (participates in β ladder)trans-127.6121172.4-178.563.5000108.3Y6 V25 H26 L27 V94 C95 E166 L167 Y170L4-Y6 HydrophobicContact CD1-CE2 4.34Å; L4-Y6 HydrophobicContact CD2-CE2 3.6Å; L4-Y6 WeakPolarHBondContact CD2-OH 3.37Å; L4-Y6 HydrophobicContact CG-CD2 4.32Å; L4-Y6 HydrophobicContact CG-CE2 3.62Å; L4-V25 HydrophobicContact CD1-CG1 3.61Å; L4-H26 WeakPolarHBondContact CA-O 3.43Å; L4-L27 HydrophobicContact CD1-CD1 4.32Å; L4-V94 WeakPolarHBondContact O-CA 3.46Å; L4-C95 PolarHBondContact N-O 3.42Å; L4-C95 PolarHBondContact O-N 3.17Å; L4-E166 HydrophobicContact CD2-CB 3.8Å; L4-L167 HydrophobicContact CB-CB 3.95Å; L4-L167 HydrophobicContact CB-CD1 4Å; L4-L167 HydrophobicContact CB-CD2 4.49Å; L4-L167 HydrophobicContact CB-CG 4.35Å; L4-L167 HydrophobicContact CD2-CB 4.13Å; L4-Y170 HydrophobicContact CD1-CD2 4.22Å; L4-Y170 HydrophobicContact CD1-CE2 4.21Å; L4-Y170 HydrophobicContact CD2-CD2 4.16Å; L4-Y170 HydrophobicContact CD2-CE2 4.12Å
5R97.1Very high92.2Very high93 Ų9338.1 Ų38.135%0.35122%0.22SC..EExtended strand (participates in β ladder)trans-125118.3-175178.8-175.6173.2108.4-7.9110.1V25 H26 I92 R93 V94R5-V25 CarbonylContact O-C 3.5Å; R5-V25 VanDerWaalsContact O-CA 3.26Å; R5-V25 WeakPolarHBondContact O-CA 3.47Å; R5-H26 HydrophobicContact CB-CB 4.34Å; R5-H26 PolarHBondContact N-O 3.46Å; R5-H26 PolarHBondContact O-N 3.32Å; R5-I92 HydrophobicContact CG-CG2 3.98Å; R5-R93 CarbonylContact C-O 3.54Å; R5-R93 WeakPolarHBondContact CA-O 3.46Å; R5-V94 HydrophobicContact CB-CB 4.48Å; R5-V94 HydrophobicContact CB-CG2 4.29Å
6Y96Very high91.9Very high10 Ų1040.8 Ų40.84%0.03924%0.242CC..EExtended strand (participates in β ladder)trans-98.1125171.1-63.5-90000109L4 V25 E61 L65 I92 R93L4-Y6 HydrophobicContact CD1-CE2 4.34Å; L4-Y6 HydrophobicContact CD2-CE2 3.6Å; L4-Y6 WeakPolarHBondContact CD2-OH 3.37Å; L4-Y6 HydrophobicContact CG-CD2 4.32Å; L4-Y6 HydrophobicContact CG-CE2 3.62Å; Y6-V25 HydrophobicContact CD1-CB 4.23Å; Y6-V25 HydrophobicContact CD1-CG1 3.75Å; Y6-V25 HydrophobicContact CD1-CG2 3.49Å; Y6-V25 VanDerWaalsContact CD1-CG2 3.49Å; Y6-V25 HydrophobicContact CE1-CB 4.37Å; Y6-V25 HydrophobicContact CE1-CG1 3.66Å; Y6-V25 HydrophobicContact CE1-CG2 3.74Å; Y6-V25 HydrophobicContact CG-CG1 4.27Å; Y6-V25 HydrophobicContact CG-CG2 4.48Å; Y6-E61 WeakPolarHBondContact CE1-OE2 3.43Å; Y6-E61 PolarHBondContact OH-OE1 3.43Å; Y6-L65 HydrophobicContact CD1-CD2 3.93Å; Y6-L65 HydrophobicContact CE1-CD2 4.42Å; Y6-I92 CarbonylContact O-C 3.58Å; Y6-I92 VanDerWaalsContact O-CA 3.3Å; Y6-I92 WeakPolarHBondContact O-CA 3.35Å; Y6-R93 PolarHBondContact N-O 3.12Å; Y6-R93 PolarHBondContact O-N 3.28Å
7N96.4Very high91.8Very high24 Ų2440.5 Ų40.513%0.12824%0.24CC..EExtended strand (participates in β ladder)trans-117.9108.6174.2-177.5-7.1000108.9A23 E24 Q90N7-A23 CarbonylContact O-C 3.51Å; N7-A23 VanDerWaalsContact O-CA 3.24Å; N7-A23 WeakPolarHBondContact O-CA 3.45Å; N7-E24 PolarHBondContact N-O 2.86Å; N7-E24 PolarHBondContact O-N 3.35Å; N7-Q90 PolarHBondContact ND2-NE2 2.67Å; N7-Q90 WeakPolarHBondContact OD1-CG 3.24Å; N7-Q90 PolarHBondContact OD1-NE2 2.96Å
8L95.6Very high91.8Very high0 Ų043.2 Ų43.20%025%0.25CC..EExtended strand (participates in β ladder)trans-110.3133.6178.8-7577.7000109.7L22 A23 L65 N68 L72 Q90 E91L8-L22 CarbonylContact C-O 3.55Å; L8-L22 WeakPolarHBondContact CA-O 3.39Å; L8-A23 HydrophobicContact CG-CB 4.04Å; L8-L65 HydrophobicContact CD1-CD2 4.02Å; L8-L65 HydrophobicContact CD2-CD2 4.42Å; L8-L65 HydrophobicContact CG-CD2 4.4Å; L8-N68 HydrophobicContact CD2-CB 3.46Å; L8-N68 VanDerWaalsContact CD2-CB 3.46Å; L8-L72 HydrophobicContact CB-CD2 3.95Å; L8-Q90 CarbonylContact O-C 3.57Å; L8-Q90 WeakPolarHBondContact O-CA 3.11Å; L8-Q90 WeakPolarHBondContact O-CG 3.36Å; L8-E91 PolarHBondContact N-O 3.14Å; L8-E91 PolarHBondContact O-N 3.11Å
9T95.8Very high91.5Very high24 Ų2444.3 Ų44.315%0.14726%0.26CS..EExtended strand (participates in β ladder)trans-129.9134.2179.2-52.50000110.7L11 F21 L22 L89 Q90T9-L11 HydrophobicContact CG2-CD2 4.26Å; T9-F21 WeakPolarHBondContact O-CA 3.41Å; T9-L22 PolarHBondContact N-O 3.25Å; T9-L22 PolarHBondContact O-N 3.22Å; T9-L89 WeakPolarHBondContact CA-O 3.18Å; T9-Q90 PolarHBondContact OG1-NE2 3.01Å
10V94.9Very high91.2Very high0 Ų043 Ų430%026%0.257CS..EExtended strand (participates in β ladder)trans-123.9149.9173-64.50000109.3F21 L72 R73 L76 S88 L89V10-F21 HydrophobicContact CG1-CB 3.72Å; V10-L72 HydrophobicContact CG1-CB 4.13Å; V10-L72 HydrophobicContact CG1-CD2 4.06Å; V10-L72 HydrophobicContact CG1-CG 4.16Å; V10-L72 HydrophobicContact CG2-CB 4.41Å; V10-L72 HydrophobicContact CG2-CD2 4.03Å; V10-L72 HydrophobicContact CG2-CG 3.75Å; V10-R73 HydrophobicContact CB-CG 3.93Å; V10-R73 HydrophobicContact CG1-CG 3.47Å; V10-R73 VanDerWaalsContact CG1-CG 3.47Å; V10-L76 HydrophobicContact CB-CD2 4.36Å; V10-L76 HydrophobicContact CG2-CB 3.93Å; V10-L76 HydrophobicContact CG2-CD2 3.75Å; V10-L76 HydrophobicContact CG2-CG 4.46Å; V10-S88 WeakPolarHBondContact O-CA 3.4Å; V10-L89 HydrophobicContact CG2-CB 3.85Å; V10-L89 HydrophobicContact CG2-CG 4.49Å; V10-L89 WeakPolarHBondContact CG2-O 3.34Å; V10-L89 PolarHBondContact N-O 2.91Å; V10-L89 PolarHBondContact O-N 3.13Å
11L93.8Very high91.2Very high45 Ų4541.4 Ų41.424%0.23625%0.247CC..EExtended strand (participates in β ladder)trans-123.5150.4-175.1-57.8176.9000110.5T9 Q18 H87T9-L11 HydrophobicContact CG2-CD2 4.26Å; L11-Q18 HydrophobicContact CB-CG 4.34Å; L11-Q18 WeakPolarHBondContact O-CB 3.4Å; L11-Q18 PolarHBondContact O-N 3.38Å; L11-H87 CarbonylContact C-O 3.57Å; L11-H87 VanDerWaalsContact CA-O 3.29Å; L11-H87 WeakPolarHBondContact CA-O 3.44Å
12S92.7Very high91.4Very high0 Ų040.8 Ų40.80%024%0.239CC..EExtended strand (participates in β ladder)trans-129.7149.8163.965.50000110.7S16 Q82 L86 H87S12-S16 CarbonylContact C-O 3.57Å; S12-S16 WeakPolarHBondContact CA-O 3.28Å; S12-S16 VanDerWaalsContact CB-O 3.27Å; S12-S16 WeakPolarHBondContact CB-O 3.33Å; S12-Q82 VanDerWaalsContact OG-CD 3.25Å; S12-Q82 PolarHBondContact OG-OE1 2.03Å; S12-L86 WeakPolarHBondContact O-CA 3.38Å; S12-L86 WeakPolarHBondContact O-CD1 3.37Å; S12-H87 PolarHBondContact N-O 3.4Å; S12-H87 PolarHBondContact O-N 2.88Å
13G89.6Confident91.5Very high22 Ų2237.1 Ų37.123%0.22722%0.222CC..EExtended strand (participates in β ladder)trans-130.8132174.400000109.4G15 S16 G85G13-G15 PolarHBondContact O-N 3.03Å; G13-S16 PolarHBondContact N-O 3.49Å; G13-S16 PolarHBondContact O-N 3.43Å; G13-G85 WeakPolarHBondContact CA-O 3.01Å
14D82.4Confident91.4Very high131 Ų13139.2 Ų39.270%0.70123%0.229SC*.THydrogen-bonded Turntrans51.343.5177.7-54.7-37.1000112.8S16 G85D14-S16 VanDerWaalsContact C-N 3.28Å; D14-S16 PolarHBondContact O-N 3.36Å; D14-G85 PolarHBondContact N-O 3.22Å; D14-G85 PolarHBondContact OD1-N 3.47Å
15G77Confident91.3Very high43 Ų4339.2 Ų39.244%0.44323%0.229SC..THydrogen-bonded Turntrans76.33.9-179.200000115.7G13G13-G15 PolarHBondContact O-N 3.03Å
16S87.3Confident91Very high80 Ų8036.6 Ų36.656%0.55922%0.221SC*.EExtended strand (participates in β ladder)trans-111.5121.8178.6-163.70000112.3S12 G13 D14 Q18S12-S16 CarbonylContact C-O 3.57Å; S12-S16 WeakPolarHBondContact CA-O 3.28Å; S12-S16 VanDerWaalsContact CB-O 3.27Å; S12-S16 WeakPolarHBondContact CB-O 3.33Å; G13-S16 PolarHBondContact N-O 3.49Å; G13-S16 PolarHBondContact O-N 3.43Å; D14-S16 VanDerWaalsContact C-N 3.28Å; D14-S16 PolarHBondContact O-N 3.36Å; S16-Q18 PolarHBondContact O-N 2.85Å
17V91.2Very high90.8Very high36 Ų3636.2 Ų36.222%0.21822%0.22CC..EExtended strand (participates in β ladder)trans-71.2126177.5-178.20000110.4R73 L76 A77V17-R73 HydrophobicContact CG1-CB 3.93Å; V17-R73 HydrophobicContact CG1-CG 3.86Å; V17-L76 HydrophobicContact CG1-CD2 4.25Å; V17-L76 HydrophobicContact CG2-CB 4.43Å; V17-L76 HydrophobicContact CG2-CD2 4.26Å; V17-L76 HydrophobicContact CG2-CG 4.01Å; V17-A77 HydrophobicContact CG2-CB 3.9Å
18Q90.8Very high90.5Very high89 Ų8936.5 Ų36.542%0.41622%0.221SC..EExtended strand (participates in β ladder)trans-65.3149.8177-61.3-174.619.800110.9L11 S16 G20 R73L11-Q18 HydrophobicContact CB-CG 4.34Å; L11-Q18 WeakPolarHBondContact O-CB 3.4Å; L11-Q18 PolarHBondContact O-N 3.38Å; S16-Q18 PolarHBondContact O-N 2.85Å; Q18-G20 VanDerWaalsContact C-N 3.34Å; Q18-G20 PolarHBondContact O-N 2.9Å; Q18-R73 WeakPolarHBondContact O-CD 3.31Å
19S86.1Confident90Very high64 Ų6438.8 Ų38.845%0.44825%0.245SC..EExtended strand (participates in β ladder)trans-77.1-19-176.337.80000113.8Q38S19-Q38 PolarHBondContact OG-NE2 3.28Å
20G86.8Confident89.4Confident18 Ų1839.4 Ų39.419%0.18625%0.246CC..EExtended strand (participates in β ladder)trans-91.7167.6176.500000113.3Q18Q18-G20 VanDerWaalsContact C-N 3.34Å; Q18-G20 PolarHBondContact O-N 2.9Å
21F91.2Very high89Confident11 Ų1142.5 Ų42.55%0.04827%0.266CS..EExtended strand (participates in β ladder)trans-140160.4167.668.7-83.6000108.9T9 V10 A23 R37 C40 L65T9-F21 WeakPolarHBondContact O-CA 3.41Å; V10-F21 HydrophobicContact CG1-CB 3.72Å; F21-A23 HydrophobicContact CD2-CB 4.23Å; F21-A23 HydrophobicContact CE2-CB 4.01Å; F21-R37 PolarHBondContact O-N 3.3Å; F21-C40 HydrophobicContact CE1-CB 4.21Å; F21-C40 HydrophobicContact CE2-CB 4.33Å; F21-C40 HydrophobicContact CZ-CB 3.6Å; F21-L65 HydrophobicContact CE2-CB 4.33Å; F21-L65 WeakPolarHBondContact CE2-O 3.13Å; F21-L65 HydrophobicContact CZ-CB 4.49Å; F21-L65 VanDerWaalsContact CZ-O 3.3Å; F21-L65 WeakPolarHBondContact CZ-O 3.43Å
22L92.3Very high88.7Confident66 Ų6640.4 Ų40.435%0.34626%0.255SS..EExtended strand (participates in β ladder)trans-107.8139.8171.8-62.3168.3000107.9L8 T9 D36L8-L22 CarbonylContact C-O 3.55Å; L8-L22 WeakPolarHBondContact CA-O 3.39Å; T9-L22 PolarHBondContact N-O 3.25Å; T9-L22 PolarHBondContact O-N 3.22Å; L22-D36 HydrophobicContact CD2-CB 4.28Å; L22-D36 WeakPolarHBondContact CD2-OD1 3.48Å
23A93.1Very high88.4Confident1 Ų140.5 Ų40.51%0.00826%0.255CS..EExtended strand (participates in β ladder)trans-138.3134.6170.300000111.4N7 L8 F21 R34 C35 L65N7-A23 CarbonylContact O-C 3.51Å; N7-A23 VanDerWaalsContact O-CA 3.24Å; N7-A23 WeakPolarHBondContact O-CA 3.45Å; L8-A23 HydrophobicContact CG-CB 4.04Å; F21-A23 HydrophobicContact CD2-CB 4.23Å; F21-A23 HydrophobicContact CE2-CB 4.01Å; A23-R34 WeakPolarHBondContact O-CA 3.38Å; A23-C35 HydrophobicContact CB-CB 4.11Å; A23-C35 PolarHBondContact N-O 3.03Å; A23-C35 PolarHBondContact O-N 3.43Å; A23-L65 HydrophobicContact CB-CD1 4.29Å; A23-L65 HydrophobicContact CB-CD2 4.07Å
24E93.1Very high88.3Confident66 Ų6644.6 Ų44.631%0.30826%0.264SS..EExtended strand (participates in β ladder)trans-126.8127.9173.2-64.5-172.2165.300109N7 H26 R34N7-E24 PolarHBondContact N-O 2.86Å; N7-E24 PolarHBondContact O-N 3.35Å; E24-H26 IonicContact OE2-CE1 2.78Å; E24-R34 HydrophobicContact CG-CG 4.3Å; E24-R34 IonicContact OE1-CZ 3.67Å; E24-R34 IonicContact OE1-NE 2.77Å; E24-R34 IonicContact OE1-NH1 3.8Å; E24-R34 PolarHBondContact OE1-NH1 3.21Å
25V93.4Very high88.3Confident1 Ų138.4 Ų38.41%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-112.9131176.7-166.30000108.3L4 R5 Y6 F32 L33 L65L4-V25 HydrophobicContact CD1-CG1 3.61Å; R5-V25 CarbonylContact O-C 3.5Å; R5-V25 VanDerWaalsContact O-CA 3.26Å; R5-V25 WeakPolarHBondContact O-CA 3.47Å; Y6-V25 HydrophobicContact CD1-CB 4.23Å; Y6-V25 HydrophobicContact CD1-CG1 3.75Å; Y6-V25 HydrophobicContact CD1-CG2 3.49Å; Y6-V25 VanDerWaalsContact CD1-CG2 3.49Å; Y6-V25 HydrophobicContact CE1-CB 4.37Å; Y6-V25 HydrophobicContact CE1-CG1 3.66Å; Y6-V25 HydrophobicContact CE1-CG2 3.74Å; Y6-V25 HydrophobicContact CG-CG1 4.27Å; Y6-V25 HydrophobicContact CG-CG2 4.48Å; V25-F32 HydrophobicContact CG1-CD1 4.36Å; V25-F32 WeakPolarHBondContact O-CB 3.17Å; V25-F32 PolarHBondContact O-N 3.35Å; V25-L33 HydrophobicContact CB-CB 3.91Å; V25-L33 HydrophobicContact CG2-CB 3.98Å; V25-L33 HydrophobicContact CG2-CD1 4.22Å; V25-L33 HydrophobicContact CG2-CD2 4.14Å; V25-L33 HydrophobicContact CG2-CG 4.37Å; V25-L33 PolarHBondContact N-O 2.95Å; V25-L33 PolarHBondContact O-N 3.34Å; V25-L65 HydrophobicContact CG2-CD1 4.33Å
26H92.6Very high88Confident38 Ų3840.2 Ų40.218%0.17623%0.231CC..EExtended strand (participates in β ladder)trans-114.9135.2176.1-61.670.3000109.7L4 R5 E24 Q30L4-H26 WeakPolarHBondContact CA-O 3.43Å; R5-H26 HydrophobicContact CB-CB 4.34Å; R5-H26 PolarHBondContact N-O 3.46Å; R5-H26 PolarHBondContact O-N 3.32Å; E24-H26 IonicContact OE2-CE1 2.78Å; H26-Q30 CarbonylContact C-O 3.56Å; H26-Q30 WeakPolarHBondContact CA-O 3.46Å
27L91.8Very high87.1Confident2 Ų245.6 Ų45.61%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-115.6120.9173.3179.664.9000107.6S3 L4 G29 Q30 F32 W48 L167 Y170 V175 V176S3-L27 WeakPolarHBondContact O-CA 3.48Å; L4-L27 HydrophobicContact CD1-CD1 4.32Å; L27-G29 PolarHBondContact O-N 3.32Å; L27-Q30 PolarHBondContact N-O 2.89Å; L27-Q30 WeakPolarHBondContact O-CB 3.36Å; L27-Q30 PolarHBondContact O-N 3.45Å; L27-F32 HydrophobicContact CB-CB 3.91Å; L27-F32 HydrophobicContact CB-CD1 4.49Å; L27-F32 HydrophobicContact CB-CD2 4.32Å; L27-F32 HydrophobicContact CB-CG 4Å; L27-F32 HydrophobicContact CD2-CD2 4.18Å; L27-F32 HydrophobicContact CD2-CE2 4.2Å; L27-W48 HydrophobicContact CD2-CZ3 4.36Å; L27-L167 HydrophobicContact CD1-CD1 3.6Å; L27-Y170 HydrophobicContact CD2-CG 4.35Å; L27-V175 HydrophobicContact CD2-CG1 3.56Å; L27-V176 HydrophobicContact CD1-CG2 4.43Å; L27-V176 HydrophobicContact CD2-CG2 3.62Å; L27-V176 HydrophobicContact CG-CG2 3.95Å
28D89.6Confident85.8Confident30 Ų3049.7 Ų49.716%0.1626%0.255CS..THydrogen-bonded Turntrans5139.3-173-62.9-14.2000113.1H2 S3 Q30 V176 Y207H2-D28 WeakPolarHBondContact CA-OD1 3.47Å; H2-D28 WeakPolarHBondContact CB-OD1 3.39Å; H2-D28 IonicContact CE1-OD2 2.86Å; H2-D28 PolarHBondContact CE1-OD2 2.85Å; H2-D28 IonicContact CG-OD1 3.75Å; H2-D28 IonicContact CG-OD2 3.88Å; H2-D28 IonicContact ND1-OD1 3.68Å; H2-D28 PolarHBondContact ND1-OD1 3.35Å; H2-D28 IonicContact ND1-OD2 3.83Å; H2-D28 PolarHBondContact ND1-OD2 3.3Å; S3-D28 PolarHBondContact N-OD1 3.45Å; S3-D28 PolarHBondContact O-N 2.86Å; D28-Q30 PolarHBondContact O-N 3.3Å; D28-V176 VanDerWaalsContact OD2-CG1 3.26Å; D28-V176 WeakPolarHBondContact OD2-CG1 3.42Å; D28-Y207 PolarHBondContact O-OH 2.96Å
29G84.8Confident84.6Confident48 Ų4854.5 Ų54.550%0.49528%0.275SS..THydrogen-bonded Turntrans77.3-2.7-178.200000115.1L27L27-G29 PolarHBondContact O-N 3.32Å
30Q83.5Confident83.8Confident37 Ų3751.7 Ų51.717%0.17326%0.255CS..EExtended strand (participates in β ladder)trans-94.8136.8178.3-60.9-60.2-5500111.3H26 L27 D28 F32 W48 Y207H26-Q30 CarbonylContact C-O 3.56Å; H26-Q30 WeakPolarHBondContact CA-O 3.46Å; L27-Q30 PolarHBondContact N-O 2.89Å; L27-Q30 WeakPolarHBondContact O-CB 3.36Å; L27-Q30 PolarHBondContact O-N 3.45Å; D28-Q30 PolarHBondContact O-N 3.3Å; Q30-F32 PolarHBondContact O-N 2.9Å; Q30-W48 HydrophobicContact CB-CZ2 4.24Å; Q30-Y207 HydrophobicContact CG-CE2 3.89Å; Q30-Y207 WeakPolarHBondContact CG-OH 3.37Å
31P87.4Confident83.3Confident65 Ų6560.2 Ų60.242%0.42228%0.282SS..EExtended strand (participates in β ladder)trans-55.6123.6172.1-23.233000110Q45 W48P31-Q45 HydrophobicContact CB-CB 4.21Å; P31-Q45 HydrophobicContact CB-CG 4.41Å; P31-Q45 WeakPolarHBondContact O-CB 3.3Å; P31-W48 WeakPolarHBondContact O-CZ2 3.25Å
32F86.2Confident82.7Confident0 Ų060.1 Ų60.10%028%0.283CS..EExtended strand (participates in β ladder)trans-119.8-39.3-171.8172.2-111.2000112V25 L27 Q30 Q45 W48 A49 L53 W58 Y170 V175V25-F32 HydrophobicContact CG1-CD1 4.36Å; V25-F32 WeakPolarHBondContact O-CB 3.17Å; V25-F32 PolarHBondContact O-N 3.35Å; L27-F32 HydrophobicContact CB-CB 3.91Å; L27-F32 HydrophobicContact CB-CD1 4.49Å; L27-F32 HydrophobicContact CB-CD2 4.32Å; L27-F32 HydrophobicContact CB-CG 4Å; L27-F32 HydrophobicContact CD2-CD2 4.18Å; L27-F32 HydrophobicContact CD2-CE2 4.2Å; Q30-F32 PolarHBondContact O-N 2.9Å; F32-Q45 PolarHBondContact O-N 3.47Å; F32-W48 HydrophobicContact CB-CH2 4.21Å; F32-W48 AromaticContact CD2-CH2 3.55Å; F32-W48 HydrophobicContact CD2-CH2 3.55Å; F32-W48 HydrophobicContact CD2-CZ2 4.32Å; F32-W48 AromaticContact CD2-CZ3 3.87Å; F32-W48 HydrophobicContact CD2-CZ3 3.87Å; F32-W48 HydrophobicContact CE2-CH2 4.43Å; F32-W48 HydrophobicContact CE2-CZ3 4.32Å; F32-W48 HydrophobicContact CG-CH2 4.34Å; F32-A49 HydrophobicContact CD2-CB 3.9Å; F32-A49 HydrophobicContact CE2-CB 3.86Å; F32-L53 HydrophobicContact CE1-CD1 4.43Å; F32-L53 HydrophobicContact CE2-CD1 3.44Å; F32-L53 VanDerWaalsContact CE2-CD1 3.44Å; F32-L53 HydrophobicContact CZ-CD1 3.19Å; F32-W58 HydrophobicContact CE1-CH2 4.23Å; F32-W58 HydrophobicContact CE1-CZ3 4.17Å; F32-W58 HydrophobicContact CE2-CH2 4.08Å; F32-W58 AromaticContact CZ-CH2 3.83Å; F32-W58 HydrophobicContact CZ-CH2 3.83Å; F32-W58 HydrophobicContact CZ-CZ3 4.2Å; F32-Y170 HydrophobicContact CE1-CD1 4.16Å; F32-Y170 HydrophobicContact CE1-CD2 4.35Å; F32-Y170 AromaticContact CE1-CE1 3.63Å; F32-Y170 HydrophobicContact CE1-CE1 3.63Å; F32-Y170 AromaticContact CE1-CE2 3.87Å; F32-Y170 HydrophobicContact CE1-CE2 3.87Å; F32-Y170 AromaticContact CE1-CZ 3.48Å; F32-Y170 VanDerWaalsContact CE1-CZ 3.48Å; F32-Y170 AromaticContact CZ-CD1 3.65Å; F32-Y170 HydrophobicContact CZ-CD1 3.65Å; F32-Y170 AromaticContact CZ-CE1 3.39Å; F32-Y170 HydrophobicContact CZ-CE1 3.39Å; F32-Y170 HydrophobicContact CZ-CE2 4.35Å; F32-Y170 HydrophobicContact CZ-CG 4.25Å; F32-Y170 AromaticContact CZ-CZ 3.78Å; F32-V175 HydrophobicContact CE2-CG1 4.47Å; F32-V175 HydrophobicContact CE2-CG2 4.15Å
33L86.9Confident82Confident2 Ų263.5 Ų63.51%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-143.3138179-176173.6000109.3V25 A42 K43 W58 E61 L65V25-L33 HydrophobicContact CB-CB 3.91Å; V25-L33 HydrophobicContact CG2-CB 3.98Å; V25-L33 HydrophobicContact CG2-CD1 4.22Å; V25-L33 HydrophobicContact CG2-CD2 4.14Å; V25-L33 HydrophobicContact CG2-CG 4.37Å; V25-L33 PolarHBondContact N-O 2.95Å; V25-L33 PolarHBondContact O-N 3.34Å; L33-A42 HydrophobicContact CD1-CB 3.46Å; L33-A42 VanDerWaalsContact CD1-CB 3.46Å; L33-A42 HydrophobicContact CD2-CB 3.83Å; L33-A42 HydrophobicContact CG-CB 3.67Å; L33-K43 WeakPolarHBondContact CA-O 3.34Å; L33-W58 HydrophobicContact CB-CZ3 4.19Å; L33-W58 HydrophobicContact CD1-CE3 4.06Å; L33-W58 HydrophobicContact CD1-CZ3 3.92Å; L33-W58 HydrophobicContact CG-CE3 4.41Å; L33-W58 HydrophobicContact CG-CZ3 4.11Å; L33-E61 HydrophobicContact CD1-CB 3.63Å; L33-E61 HydrophobicContact CD1-CG 3.89Å; L33-L65 HydrophobicContact CD1-CD1 4.19Å; L33-L65 HydrophobicContact CD2-CD1 3.7Å
34R86.7Confident81.5Confident109 Ų10964.9 Ų64.941%0.41130%0.304SS..EExtended strand (participates in β ladder)trans-126.4137.5168.9-173172.8171.8136.4-11.4111.4A23 E24 D36 K43 Q45A23-R34 WeakPolarHBondContact O-CA 3.38Å; E24-R34 HydrophobicContact CG-CG 4.3Å; E24-R34 IonicContact OE1-CZ 3.67Å; E24-R34 IonicContact OE1-NE 2.77Å; E24-R34 IonicContact OE1-NH1 3.8Å; E24-R34 PolarHBondContact OE1-NH1 3.21Å; R34-D36 IonicContact NH2-OD2 3.51Å; R34-K43 PolarHBondContact N-O 2.99Å; R34-K43 PolarHBondContact O-N 3.3Å; R34-Q45 HydrophobicContact CB-CG 4.16Å
35C83.3Confident81Confident1 Ų165 Ų651%0.00730%0.304CS..EExtended strand (participates in β ladder)trans-123.1123.5169.4-94.90000109.7A23 C40 A42A23-C35 HydrophobicContact CB-CB 4.11Å; A23-C35 PolarHBondContact N-O 3.03Å; A23-C35 PolarHBondContact O-N 3.43Å; C35-C40 HydrophobicContact CB-CB 3.78Å; C35-C40 WeakPolarHBondContact CB-SG 3.33Å; C35-C40 WeakPolarHBondContact SG-CB 3.17Å; C35-C40 CovalentContact SG-SG 2.04Å; C35-C40 PolarHBondContact SG-SG 2.97Å; C35-A42 PolarHBondContact SG-N 3Å; C35-A42 VanDerWaalsContact SG-N 3.4Å
36D69.4Low80.1Confident81 Ų8167 Ų6743%0.43333%0.325SS..EExtended strand (participates in β ladder)trans-125.6124.5175.6-164-28.6000107.1L22 R34L22-D36 HydrophobicContact CD2-CB 4.28Å; L22-D36 WeakPolarHBondContact CD2-OD1 3.48Å; R34-D36 IonicContact NH2-OD2 3.51Å
37R70.3Confident79.3Confident192 Ų19272.5 Ų72.573%0.72535%0.351SS*.SBendtrans95.9170.9174.1-50.9172.5-179.5-170.6-2.4117.8F21 K39 C40F21-R37 PolarHBondContact O-N 3.3Å; R37-K39 PolarHBondContact O-N 3.04Å; R37-K39 VanDerWaalsContact O-N 3.13Å; R37-C40 PolarHBondContact O-N 3.44Å
38Q62.7Low78.6Confident122 Ų12274.2 Ų74.257%0.5736%0.357SS*.SBendtrans-49.8-32.7-178.6-71173.6-0.400115.5S19S19-Q38 PolarHBondContact OG-NE2 3.28Å
39K65.4Low78Confident190 Ų19072.8 Ų72.883%0.82635%0.349SS*.SBendtrans-111.375.6175.1-68.6-178.1-177.4176.90107.7R37 R41R37-K39 PolarHBondContact O-N 3.04Å; R37-K39 VanDerWaalsContact O-N 3.13Å; K39-R41 PolarHBondContact O-N 3.41Å
40C68.8Low77.6Confident6 Ų676.4 Ų76.44%0.04135%0.353CS..  trans-49.2126.1171.8167.90000108.1F21 C35 R37 T62F21-C40 HydrophobicContact CE1-CB 4.21Å; F21-C40 HydrophobicContact CE2-CB 4.33Å; F21-C40 HydrophobicContact CZ-CB 3.6Å; C35-C40 HydrophobicContact CB-CB 3.78Å; C35-C40 WeakPolarHBondContact CB-SG 3.33Å; C35-C40 WeakPolarHBondContact SG-CB 3.17Å; C35-C40 CovalentContact SG-SG 2.04Å; C35-C40 PolarHBondContact SG-SG 2.97Å; R37-C40 PolarHBondContact O-N 3.44Å; C40-T62 WeakPolarHBondContact O-CG2 3.45Å
41R77.9Confident77.2Confident197 Ų19779.5 Ų79.574%0.74337%0.371SS*.  trans-123.9111.6159.4-78-167.1-167.4-1434.2104.4K39 K43K39-R41 PolarHBondContact O-N 3.41Å; R41-K43 PolarHBondContact O-N 3.39Å
42A77.8Confident76.7Confident9 Ų978.3 Ų78.37%0.07436%0.363CS..  trans-53.5113.217400000108.7L33 C35 W58 E61 T62L33-A42 HydrophobicContact CD1-CB 3.46Å; L33-A42 VanDerWaalsContact CD1-CB 3.46Å; L33-A42 HydrophobicContact CD2-CB 3.83Å; L33-A42 HydrophobicContact CG-CB 3.67Å; C35-A42 PolarHBondContact SG-N 3Å; C35-A42 VanDerWaalsContact SG-N 3.4Å; A42-W58 HydrophobicContact CB-CB 4.31Å; A42-W58 HydrophobicContact CB-CE3 4.07Å; A42-W58 WeakPolarHBondContact CB-O 3.34Å; A42-E61 HydrophobicContact CB-CB 4.05Å; A42-T62 WeakPolarHBondContact CB-OG1 3.44Å; A42-T62 PolarHBondContact N-OG1 3.01Å
43K78.3Confident76.5Confident136 Ų13678.8 Ų78.859%0.59137%0.365SS*.EExtended strand (participates in β ladder)trans-107.9131.4173.9-70.8-174.8-179.3-1750109.3L33 R34 R41L33-K43 WeakPolarHBondContact CA-O 3.34Å; R34-K43 PolarHBondContact N-O 2.99Å; R34-K43 PolarHBondContact O-N 3.3Å; R41-K43 PolarHBondContact O-N 3.39Å
44P82.6Confident76.2Confident30 Ų3081 Ų8120%0.19539%0.388CS..EExtended strand (participates in β ladder)trans-55.7144.9171.121-29.5000110.2A49 E50 W58P44-A49 HydrophobicContact CB-CB 3.81Å; P44-E50 HydrophobicContact CB-CB 4.06Å; P44-E50 HydrophobicContact CG-CB 3.76Å; P44-E50 HydrophobicContact CG-CG 3.99Å; P44-W58 HydrophobicContact CB-CH2 3.76Å; P44-W58 HydrophobicContact CB-CZ2 3.56Å; P44-W58 HydrophobicContact CG-CZ2 4.08Å
45Q81.5Confident76Confident69 Ų6981.8 Ų81.832%0.32240%0.4SS..SBendtrans-104.4102.6170.2-67-61.4-51.600108.8P31 F32 R34 W48P31-Q45 HydrophobicContact CB-CB 4.21Å; P31-Q45 HydrophobicContact CB-CG 4.41Å; P31-Q45 WeakPolarHBondContact O-CB 3.3Å; F32-Q45 PolarHBondContact O-N 3.47Å; R34-Q45 HydrophobicContact CB-CG 4.16Å; Q45-W48 PolarHBondContact O-NE1 3.38Å; Q45-W48 VanDerWaalsContact O-NE1 3.15Å
46G75.6Confident76.1Confident42 Ų4290.5 Ų90.543%0.43344%0.438SS..SBendtrans93154.2-18000000114.6W48 A49 E50G46-W48 PolarHBondContact O-N 3.01Å; G46-A49 PolarHBondContact O-N 3.42Å; G46-E50 PolarHBondContact O-N 2.95Å
47Q75.6Confident76.9Confident154 Ų15487.3 Ų87.372%0.7242%0.422SS*.Hα-helixtrans-59.7-31-177-70179.1-20.200113A49 E50 D51Q47-A49 VanDerWaalsContact C-N 3.27Å; Q47-A49 PolarHBondContact O-N 3.4Å; Q47-E50 PolarHBondContact O-N 2.97Å; Q47-D51 PolarHBondContact O-N 3.42Å; Q47-D51 VanDerWaalsContact O-N 3.11Å
48W75.7Confident77.6Confident38 Ų3879.1 Ų79.114%0.14439%0.391CS..Hα-helixtrans-63.6-30.2-179.964.7-86.3000113.1L27 Q30 P31 F32 Q45 G46 V52 V175 R179L27-W48 HydrophobicContact CD2-CZ3 4.36Å; Q30-W48 HydrophobicContact CB-CZ2 4.24Å; P31-W48 WeakPolarHBondContact O-CZ2 3.25Å; F32-W48 HydrophobicContact CB-CH2 4.21Å; F32-W48 AromaticContact CD2-CH2 3.55Å; F32-W48 HydrophobicContact CD2-CH2 3.55Å; F32-W48 HydrophobicContact CD2-CZ2 4.32Å; F32-W48 AromaticContact CD2-CZ3 3.87Å; F32-W48 HydrophobicContact CD2-CZ3 3.87Å; F32-W48 HydrophobicContact CE2-CH2 4.43Å; F32-W48 HydrophobicContact CE2-CZ3 4.32Å; F32-W48 HydrophobicContact CG-CH2 4.34Å; Q45-W48 PolarHBondContact O-NE1 3.38Å; Q45-W48 VanDerWaalsContact O-NE1 3.15Å; G46-W48 PolarHBondContact O-N 3.01Å; W48-V52 WeakPolarHBondContact O-CG2 3.44Å; W48-V175 HydrophobicContact CE3-CG2 3.67Å; W48-V175 HydrophobicContact CZ3-CG1 4.44Å; W48-V175 HydrophobicContact CZ3-CG2 3.78Å; W48-V175 WeakPolarHBondContact O-CG2 3.26Å; W48-R179 HydrophobicContact CD2-CB 4.47Å; W48-R179 HydrophobicContact CE3-CB 4.47Å
49A77.6Confident78.8Confident0 Ų078 Ų780%039%0.389CS..Hα-helixtrans-86.8-37.3176.300000112.3F32 P44 G46 Q47 L53 W58 V175F32-A49 HydrophobicContact CD2-CB 3.9Å; F32-A49 HydrophobicContact CE2-CB 3.86Å; P44-A49 HydrophobicContact CB-CB 3.81Å; G46-A49 PolarHBondContact O-N 3.42Å; Q47-A49 VanDerWaalsContact C-N 3.27Å; Q47-A49 PolarHBondContact O-N 3.4Å; A49-L53 PolarHBondContact O-N 2.94Å; A49-W58 HydrophobicContact CB-CH2 4.31Å; A49-W58 HydrophobicContact CB-CZ2 4.49Å; A49-V175 HydrophobicContact CB-CG2 4.44Å
50E76.4Confident80Confident124 Ų12473.1 Ų73.158%0.57937%0.365SS*.Hα-helixtrans-65.9-44.5-177.9-171.2169.3-166.500112.6P44 G46 Q47 V52P44-E50 HydrophobicContact CB-CB 4.06Å; P44-E50 HydrophobicContact CG-CB 3.76Å; P44-E50 HydrophobicContact CG-CG 3.99Å; G46-E50 PolarHBondContact O-N 2.95Å; Q47-E50 PolarHBondContact O-N 2.97Å; E50-V52 VanDerWaalsContact C-N 3.3Å; E50-V52 PolarHBondContact O-N 3.45Å
51D74.3Confident80.9Confident103 Ų10373 Ų7355%0.55136%0.364SS*.THydrogen-bonded Turntrans-72.3-22-175-71.6-10.2000114.2Q47 R178Q47-D51 PolarHBondContact O-N 3.42Å; Q47-D51 VanDerWaalsContact O-N 3.11Å; D51-R178 VanDerWaalsContact CB-NH1 3.25Å; D51-R178 IonicContact OD2-NH1 2.96Å; D51-R178 PolarHBondContact OD2-NH1 3.43Å
52V78.8Confident81.5Confident40 Ų4064.9 Ų64.924%0.24234%0.336CS..THydrogen-bonded Turntrans-100.6-32.6-169.9179.80000111.7W48 E50 S173 V175 R178W48-V52 WeakPolarHBondContact O-CG2 3.44Å; E50-V52 VanDerWaalsContact C-N 3.3Å; E50-V52 PolarHBondContact O-N 3.45Å; V52-S173 VanDerWaalsContact CG1-O 3.25Å; V52-S173 WeakPolarHBondContact CG1-O 3.4Å; V52-V175 HydrophobicContact CB-CB 4.25Å; V52-V175 HydrophobicContact CB-CG2 4.05Å; V52-V175 HydrophobicContact CG1-CB 3.91Å; V52-V175 HydrophobicContact CG1-CG2 4.25Å; V52-V175 HydrophobicContact CG2-CG2 4.46Å; V52-R178 HydrophobicContact CG2-CG 4.04Å
53L81.4Confident82.1Confident10 Ų1073.1 Ų73.15%0.05237%0.366CS..SBendtrans-109.7119-170.9-62.1171.9000111.5F32 A49 T57 W58 Y170 V175F32-L53 HydrophobicContact CE1-CD1 4.43Å; F32-L53 HydrophobicContact CE2-CD1 3.44Å; F32-L53 VanDerWaalsContact CE2-CD1 3.44Å; F32-L53 HydrophobicContact CZ-CD1 3.19Å; A49-L53 PolarHBondContact O-N 2.94Å; L53-T57 HydrophobicContact CB-CG2 4.4Å; L53-T57 HydrophobicContact CD1-CG2 4.41Å; L53-W58 HydrophobicContact CB-CZ2 3.68Å; L53-W58 HydrophobicContact CD1-CH2 3.83Å; L53-W58 HydrophobicContact CD1-CZ2 3.79Å; L53-W58 HydrophobicContact CG-CZ2 4.39Å; L53-W58 PolarHBondContact O-NE1 3.12Å; L53-Y170 HydrophobicContact CD1-CD1 4Å; L53-Y170 HydrophobicContact CD1-CE1 3.88Å; L53-Y170 HydrophobicContact CD2-CD1 4.19Å; L53-Y170 HydrophobicContact CD2-CE1 4.37Å; L53-V175 HydrophobicContact CD1-CG2 4.09Å; L53-V175 HydrophobicContact CG-CG2 4.28Å
54G79.9Confident82.7Confident47 Ų4769.9 Ų69.949%0.48536%0.355SS..  trans-74.7162.8178.900000114.1K56 T57G54-K56 PolarHBondContact O-N 3.46Å; G54-T57 VanDerWaalsContact O-CB 3.31Å; G54-T57 WeakPolarHBondContact O-CB 3.09Å; G54-T57 PolarHBondContact O-N 3.03Å
55N82.8Confident83.1Confident126 Ų12668.5 Ų68.567%0.67435%0.346SS*.Hα-helixtrans-47.9-35.7-177.6-67.6-5.3000114.9T57 W58 D59N55-T57 PolarHBondContact O-N 2.95Å; N55-W58 PolarHBondContact O-N 3.42Å; N55-D59 VanDerWaalsContact O-CG 3.29Å; N55-D59 PolarHBondContact O-N 3.02Å
56K85.8Confident83.6Confident184 Ų18468 Ų6880%0.835%0.347SS*.Hα-helixtrans-57.1-34177.4-68.5-175.2179.2-179.60113.3G54 R60G54-K56 PolarHBondContact O-N 3.46Å; K56-R60 PolarHBondContact O-N 3Å
57T85.9Confident84.4Confident15 Ų1567.6 Ų67.69%0.09234%0.344CS..Hα-helixtrans-65.7-50.6175.3-65.10000110.3L53 G54 N55 D59 R60 E61 R169 Y170L53-T57 HydrophobicContact CB-CG2 4.4Å; L53-T57 HydrophobicContact CD1-CG2 4.41Å; G54-T57 VanDerWaalsContact O-CB 3.31Å; G54-T57 WeakPolarHBondContact O-CB 3.09Å; G54-T57 PolarHBondContact O-N 3.03Å; N55-T57 PolarHBondContact O-N 2.95Å; T57-D59 VanDerWaalsContact C-N 3.34Å; T57-D59 PolarHBondContact O-N 2.83Å; T57-R60 PolarHBondContact O-N 3.31Å; T57-E61 PolarHBondContact O-N 3.12Å; T57-R169 VanDerWaalsContact CG2-NH2 3.31Å; T57-R169 PolarHBondContact OG1-NH1 3.03Å; T57-Y170 HydrophobicContact CG2-CE1 3.87Å
58W85.9Confident85.1Confident20 Ų2062.4 Ų62.48%0.07632%0.321CS..Hα-helixtrans-66.2-36.2-177.8-53.9123.6000112.3F32 L33 A42 P44 A49 L53 N55 R60 T62F32-W58 HydrophobicContact CE1-CH2 4.23Å; F32-W58 HydrophobicContact CE1-CZ3 4.17Å; F32-W58 HydrophobicContact CE2-CH2 4.08Å; F32-W58 AromaticContact CZ-CH2 3.83Å; F32-W58 HydrophobicContact CZ-CH2 3.83Å; F32-W58 HydrophobicContact CZ-CZ3 4.2Å; L33-W58 HydrophobicContact CB-CZ3 4.19Å; L33-W58 HydrophobicContact CD1-CE3 4.06Å; L33-W58 HydrophobicContact CD1-CZ3 3.92Å; L33-W58 HydrophobicContact CG-CE3 4.41Å; L33-W58 HydrophobicContact CG-CZ3 4.11Å; A42-W58 HydrophobicContact CB-CB 4.31Å; A42-W58 HydrophobicContact CB-CE3 4.07Å; A42-W58 WeakPolarHBondContact CB-O 3.34Å; P44-W58 HydrophobicContact CB-CH2 3.76Å; P44-W58 HydrophobicContact CB-CZ2 3.56Å; P44-W58 HydrophobicContact CG-CZ2 4.08Å; A49-W58 HydrophobicContact CB-CH2 4.31Å; A49-W58 HydrophobicContact CB-CZ2 4.49Å; L53-W58 HydrophobicContact CB-CZ2 3.68Å; L53-W58 HydrophobicContact CD1-CH2 3.83Å; L53-W58 HydrophobicContact CD1-CZ2 3.79Å; L53-W58 HydrophobicContact CG-CZ2 4.39Å; L53-W58 PolarHBondContact O-NE1 3.12Å; N55-W58 PolarHBondContact O-N 3.42Å; W58-R60 VanDerWaalsContact C-N 3.35Å; W58-T62 WeakPolarHBondContact O-CB 3.44Å; W58-T62 PolarHBondContact O-N 3.35Å; W58-T62 PolarHBondContact O-OG1 2.8Å
59D87.9Confident86Confident98 Ų9860.6 Ų60.652%0.52431%0.314SS..Hα-helixtrans-65.2-38.4174.8-68.8-31.6000112N55 T57 R63N55-D59 VanDerWaalsContact O-CG 3.29Å; N55-D59 PolarHBondContact O-N 3.02Å; T57-D59 VanDerWaalsContact C-N 3.34Å; T57-D59 PolarHBondContact O-N 2.83Å; D59-R63 PolarHBondContact O-N 3.38Å; D59-R63 VanDerWaalsContact O-N 3.14Å
60R88.6Confident86.6Confident87 Ų8766.3 Ų66.333%0.32834%0.339SS..Hα-helixtrans-68.3-52.7175.8-176.7168.271.3-133.33.2111.2K56 T57 W58 T62 R63 D64 E166 R169K56-R60 PolarHBondContact O-N 3Å; T57-R60 PolarHBondContact O-N 3.31Å; W58-R60 VanDerWaalsContact C-N 3.35Å; R60-T62 PolarHBondContact O-N 2.82Å; R60-R63 WeakPolarHBondContact O-CA 3.39Å; R60-R63 WeakPolarHBondContact O-CB 3.36Å; R60-R63 PolarHBondContact O-N 2.84Å; R60-D64 WeakPolarHBondContact CG-OD2 3.39Å; R60-D64 PolarHBondContact O-N 2.79Å; R60-E166 IonicContact CZ-OE1 3.97Å; R60-E166 IonicContact NE-OE1 3.87Å; R60-E166 PolarHBondContact NE-OE1 3.42Å; R60-E166 VanDerWaalsContact NH2-CD 3.33Å; R60-E166 IonicContact NH2-OE1 3.5Å; R60-E166 PolarHBondContact NH2-OE1 3.45Å; R60-E166 IonicContact NH2-OE2 2.74Å; R60-E166 PolarHBondContact NH2-OE2 3.11Å; R60-R169 VanDerWaalsContact NH2-CD 3.27Å
61E89.7Confident87.4Confident3 Ų363 Ų631%0.01433%0.325CS..Hα-helixtrans-56-40.6176.8-75.6-70.4175.200111.8Y6 L33 A42 T57 R63 D64 L65 Y170Y6-E61 WeakPolarHBondContact CE1-OE2 3.43Å; Y6-E61 PolarHBondContact OH-OE1 3.43Å; L33-E61 HydrophobicContact CD1-CB 3.63Å; L33-E61 HydrophobicContact CD1-CG 3.89Å; A42-E61 HydrophobicContact CB-CB 4.05Å; T57-E61 PolarHBondContact O-N 3.12Å; E61-R63 VanDerWaalsContact C-N 3.34Å; E61-R63 PolarHBondContact O-N 2.7Å; E61-D64 PolarHBondContact O-N 2.99Å; E61-L65 WeakPolarHBondContact O-CB 3.34Å; E61-L65 WeakPolarHBondContact O-CG 3.48Å; E61-L65 PolarHBondContact O-N 2.66Å; E61-Y170 VanDerWaalsContact CD-OH 3.26Å; E61-Y170 VanDerWaalsContact CG-OH 3.29Å; E61-Y170 WeakPolarHBondContact CG-OH 3.46Å; E61-Y170 PolarHBondContact OE1-OH 3.33Å
62T89.6Confident88.4Confident27 Ų2758.2 Ų58.217%0.16630%0.299CS..Hα-helixtrans-58.6-45.4174.6-65.40000112C40 A42 W58 R60 T66C40-T62 WeakPolarHBondContact O-CG2 3.45Å; A42-T62 WeakPolarHBondContact CB-OG1 3.44Å; A42-T62 PolarHBondContact N-OG1 3.01Å; W58-T62 WeakPolarHBondContact O-CB 3.44Å; W58-T62 PolarHBondContact O-N 3.35Å; W58-T62 PolarHBondContact O-OG1 2.8Å; R60-T62 PolarHBondContact O-N 2.82Å; T62-T66 VanDerWaalsContact O-CB 3.25Å; T62-T66 WeakPolarHBondContact O-CB 3.13Å; T62-T66 PolarHBondContact O-N 2.73Å; T62-T66 PolarHBondContact O-OG1 3.19Å
63R90.4Very high89.1Confident183 Ų18359.8 Ų59.869%0.69130%0.301SS*.Hα-helixtrans-64.2-47.7179.9-173-173.2-57.4166.23.6111.2D59 R60 E61 T66 G67D59-R63 PolarHBondContact O-N 3.38Å; D59-R63 VanDerWaalsContact O-N 3.14Å; R60-R63 WeakPolarHBondContact O-CA 3.39Å; R60-R63 WeakPolarHBondContact O-CB 3.36Å; R60-R63 PolarHBondContact O-N 2.84Å; E61-R63 VanDerWaalsContact C-N 3.34Å; E61-R63 PolarHBondContact O-N 2.7Å; R63-T66 PolarHBondContact O-N 3.26Å; R63-G67 PolarHBondContact O-N 3.02Å
64D90.6Very high89.7Confident67 Ų6763.4 Ų63.436%0.35832%0.319SS..Hα-helixtrans-69.6-44.8-174.4-59.9-19.7000110.7R60 E61 T66 G67 N68R60-D64 WeakPolarHBondContact CG-OD2 3.39Å; R60-D64 PolarHBondContact O-N 2.79Å; E61-D64 PolarHBondContact O-N 2.99Å; D64-T66 VanDerWaalsContact C-N 3.31Å; D64-T66 PolarHBondContact O-N 2.89Å; D64-G67 PolarHBondContact O-N 3.44Å; D64-N68 VanDerWaalsContact O-CG 3.24Å; D64-N68 PolarHBondContact O-N 2.84Å; D64-N68 PolarHBondContact O-ND2 3.45Å
65L91.8Very high90.4Very high1 Ų161.5 Ų61.51%0.00530%0.297CS..Hα-helixtrans-61.6-37.9174-70.3174.6000112.5Y6 L8 F21 A23 V25 L33 E61 N68 G69Y6-L65 HydrophobicContact CD1-CD2 3.93Å; Y6-L65 HydrophobicContact CE1-CD2 4.42Å; L8-L65 HydrophobicContact CD1-CD2 4.02Å; L8-L65 HydrophobicContact CD2-CD2 4.42Å; L8-L65 HydrophobicContact CG-CD2 4.4Å; F21-L65 HydrophobicContact CE2-CB 4.33Å; F21-L65 WeakPolarHBondContact CE2-O 3.13Å; F21-L65 HydrophobicContact CZ-CB 4.49Å; F21-L65 VanDerWaalsContact CZ-O 3.3Å; F21-L65 WeakPolarHBondContact CZ-O 3.43Å; A23-L65 HydrophobicContact CB-CD1 4.29Å; A23-L65 HydrophobicContact CB-CD2 4.07Å; V25-L65 HydrophobicContact CG2-CD1 4.33Å; L33-L65 HydrophobicContact CD1-CD1 4.19Å; L33-L65 HydrophobicContact CD2-CD1 3.7Å; E61-L65 WeakPolarHBondContact O-CB 3.34Å; E61-L65 WeakPolarHBondContact O-CG 3.48Å; E61-L65 PolarHBondContact O-N 2.66Å; L65-N68 PolarHBondContact O-N 3.26Å; L65-G69 PolarHBondContact O-N 2.94Å
66T91.4Very high91Very high58 Ų5855.5 Ų55.536%0.35627%0.265SS..Hα-helixtrans-65.9-39.9177-60.30000111.7T62 R63 D64 K70T62-T66 VanDerWaalsContact O-CB 3.25Å; T62-T66 WeakPolarHBondContact O-CB 3.13Å; T62-T66 PolarHBondContact O-N 2.73Å; T62-T66 PolarHBondContact O-OG1 3.19Å; R63-T66 PolarHBondContact O-N 3.26Å; D64-T66 VanDerWaalsContact C-N 3.31Å; D64-T66 PolarHBondContact O-N 2.89Å; T66-K70 PolarHBondContact O-N 2.88Å; T66-K70 VanDerWaalsContact O-N 3.12Å
67G91.6Very high91.3Very high35 Ų3549.8 Ų49.836%0.36125%0.253SS..Hα-helixtrans-60.5-52.3172.600000111.6R63 D64 G69 K70 D71R63-G67 PolarHBondContact O-N 3.02Å; D64-G67 PolarHBondContact O-N 3.44Å; G67-G69 PolarHBondContact O-N 3.16Å; G67-K70 WeakPolarHBondContact O-CB 3.45Å; G67-K70 PolarHBondContact O-N 3.29Å; G67-K70 VanDerWaalsContact O-N 3.09Å; G67-D71 PolarHBondContact O-N 2.83Å
68N92.2Very high91.5Very high44 Ų4451.9 Ų51.924%0.23526%0.261CS..Hα-helixtrans-62.6-40.2-179.4-64.3-26.2000112.5L8 D64 L65 K70 D71 L72 R93L8-N68 HydrophobicContact CD2-CB 3.46Å; L8-N68 VanDerWaalsContact CD2-CB 3.46Å; D64-N68 VanDerWaalsContact O-CG 3.24Å; D64-N68 PolarHBondContact O-N 2.84Å; D64-N68 PolarHBondContact O-ND2 3.45Å; L65-N68 PolarHBondContact O-N 3.26Å; N68-K70 VanDerWaalsContact C-N 3.29Å; N68-K70 PolarHBondContact O-N 2.91Å; N68-D71 PolarHBondContact O-N 2.84Å; N68-L72 WeakPolarHBondContact O-CB 3.11Å; N68-L72 PolarHBondContact O-N 2.84Å; N68-R93 PolarHBondContact ND2-NH2 3.26Å; N68-R93 VanDerWaalsContact ND2-NH2 3.16Å
69G92.6Very high91.7Very high0 Ų051.1 Ų51.10%026%0.259CS..Hα-helixtrans-64.9-31.3175.100000113.1L65 G67 R73L65-G69 PolarHBondContact O-N 2.94Å; G67-G69 PolarHBondContact O-N 3.16Å; G69-R73 WeakPolarHBondContact O-CG 3.02Å; G69-R73 PolarHBondContact O-N 3.4Å
70K92.2Very high91Very high120 Ų12055.4 Ų55.452%0.52227%0.273SS..Hα-helixtrans-69.6-46.4172.2-175.9-177.4174.7-171.50111.2T66 G67 N68 L72 R73 M74T66-K70 PolarHBondContact O-N 2.88Å; T66-K70 VanDerWaalsContact O-N 3.12Å; G67-K70 WeakPolarHBondContact O-CB 3.45Å; G67-K70 PolarHBondContact O-N 3.29Å; G67-K70 VanDerWaalsContact O-N 3.09Å; N68-K70 VanDerWaalsContact C-N 3.29Å; N68-K70 PolarHBondContact O-N 2.91Å; K70-L72 VanDerWaalsContact C-N 3.33Å; K70-L72 PolarHBondContact O-N 3.06Å; K70-R73 PolarHBondContact O-N 2.98Å; K70-M74 HydrophobicContact CG-CE 4.48Å; K70-M74 WeakPolarHBondContact O-CG 2.96Å; K70-M74 PolarHBondContact O-N 2.88Å; K70-M74 VanDerWaalsContact O-N 3.13Å
71D92.9Very high90.3Very high54 Ų5453.8 Ų53.829%0.28927%0.27SS..Hα-helixtrans-57.9-46.7176.7-77.28.3000111G67 N68 R73 M74 T75 K151G67-D71 PolarHBondContact O-N 2.83Å; N68-D71 PolarHBondContact O-N 2.84Å; D71-R73 VanDerWaalsContact C-N 3.33Å; D71-R73 PolarHBondContact O-N 3.37Å; D71-M74 HydrophobicContact CB-CE 4.47Å; D71-M74 WeakPolarHBondContact O-CB 3.49Å; D71-M74 PolarHBondContact O-N 2.9Å; D71-M74 VanDerWaalsContact O-N 3.11Å; D71-M74 VanDerWaalsContact OD1-CE 3.32Å; D71-M74 WeakPolarHBondContact OD1-CE 3.32Å; D71-T75 PolarHBondContact O-N 2.9Å; D71-T75 PolarHBondContact O-OG1 2.88Å; D71-K151 IonicContact OD2-NZ 3.1Å; D71-K151 PolarHBondContact OD2-NZ 3.3Å
72L94.9Very high89Confident3 Ų355 Ų552%0.01628%0.276CS..Hα-helixtrans-64.2-35.3-180-164.863.3000112.9L8 V10 N68 K70 T75 L76 L89 E91 F109L8-L72 HydrophobicContact CB-CD2 3.95Å; V10-L72 HydrophobicContact CG1-CB 4.13Å; V10-L72 HydrophobicContact CG1-CD2 4.06Å; V10-L72 HydrophobicContact CG1-CG 4.16Å; V10-L72 HydrophobicContact CG2-CB 4.41Å; V10-L72 HydrophobicContact CG2-CD2 4.03Å; V10-L72 HydrophobicContact CG2-CG 3.75Å; N68-L72 WeakPolarHBondContact O-CB 3.11Å; N68-L72 PolarHBondContact O-N 2.84Å; K70-L72 VanDerWaalsContact C-N 3.33Å; K70-L72 PolarHBondContact O-N 3.06Å; L72-T75 WeakPolarHBondContact O-CB 3.46Å; L72-T75 PolarHBondContact O-N 3.13Å; L72-L76 PolarHBondContact O-N 2.77Å; L72-L89 HydrophobicContact CD1-CD2 3.62Å; L72-L89 HydrophobicContact CD1-CG 3.85Å; L72-L89 HydrophobicContact CG-CD2 4.1Å; L72-L89 HydrophobicContact CG-CG 4.28Å; L72-E91 HydrophobicContact CD1-CB 3.73Å; L72-E91 HydrophobicContact CD2-CB 3.9Å; L72-E91 HydrophobicContact CG-CB 4.46Å; L72-F109 HydrophobicContact CD1-CD1 4.41Å; L72-F109 HydrophobicContact CD1-CE1 4.19Å
73R93.8Very high88Confident74 Ų7461.1 Ų61.128%0.27930%0.3SS..Hα-helixtrans-65.4-39.4173.1-76.8-172.6-60.2130.4-1.5112.5V10 V17 Q18 G69 K70 D71 T75 L76 A77V10-R73 HydrophobicContact CB-CG 3.93Å; V10-R73 HydrophobicContact CG1-CG 3.47Å; V10-R73 VanDerWaalsContact CG1-CG 3.47Å; V17-R73 HydrophobicContact CG1-CB 3.93Å; V17-R73 HydrophobicContact CG1-CG 3.86Å; Q18-R73 WeakPolarHBondContact O-CD 3.31Å; G69-R73 WeakPolarHBondContact O-CG 3.02Å; G69-R73 PolarHBondContact O-N 3.4Å; K70-R73 PolarHBondContact O-N 2.98Å; D71-R73 VanDerWaalsContact C-N 3.33Å; D71-R73 PolarHBondContact O-N 3.37Å; R73-T75 VanDerWaalsContact C-N 3.32Å; R73-L76 PolarHBondContact O-N 3.33Å; R73-A77 WeakPolarHBondContact O-CB 3.33Å; R73-A77 PolarHBondContact O-N 2.9Å
74M93.6Very high87.4Confident86 Ų8661.1 Ų61.142%0.42431%0.308SS..Hα-helixtrans-64.8-40.3175.4-65.7-174.9-63.700110.6K70 D71 A77 H78 F144K70-M74 HydrophobicContact CG-CE 4.48Å; K70-M74 WeakPolarHBondContact O-CG 2.96Å; K70-M74 PolarHBondContact O-N 2.88Å; K70-M74 VanDerWaalsContact O-N 3.13Å; D71-M74 HydrophobicContact CB-CE 4.47Å; D71-M74 WeakPolarHBondContact O-CB 3.49Å; D71-M74 PolarHBondContact O-N 2.9Å; D71-M74 VanDerWaalsContact O-N 3.11Å; D71-M74 VanDerWaalsContact OD1-CE 3.32Å; D71-M74 WeakPolarHBondContact OD1-CE 3.32Å; M74-A77 PolarHBondContact O-N 3.06Å; M74-H78 PolarHBondContact O-N 3.42Å; M74-F144 HydrophobicContact CB-CZ 4.11Å
75T95Very high87Confident6 Ų659.6 Ų59.64%0.03731%0.308CS..Hα-helixtrans-60.6-48173.1-53.70000111.7D71 L72 R73 A77 H78 I79 L89 V141 F144D71-T75 PolarHBondContact O-N 2.9Å; D71-T75 PolarHBondContact O-OG1 2.88Å; L72-T75 WeakPolarHBondContact O-CB 3.46Å; L72-T75 PolarHBondContact O-N 3.13Å; R73-T75 VanDerWaalsContact C-N 3.32Å; T75-A77 VanDerWaalsContact C-N 3.33Å; T75-A77 PolarHBondContact O-N 3.1Å; T75-H78 PolarHBondContact O-N 2.94Å; T75-H78 VanDerWaalsContact O-N 3.12Å; T75-I79 PolarHBondContact O-N 2.87Å; T75-L89 HydrophobicContact CG2-CD2 3.8Å; T75-V141 HydrophobicContact CG2-CB 4.5Å; T75-V141 HydrophobicContact CG2-CG1 3.8Å; T75-V141 HydrophobicContact CG2-CG2 4.06Å; T75-F144 HydrophobicContact CG2-CD1 4.27Å; T75-F144 HydrophobicContact CG2-CE1 4.46Å; T75-F144 WeakPolarHBondContact OG1-CE1 3.4Å
76L94.5Very high87Confident0 Ų065.1 Ų65.10%034%0.337CS..Hα-helixtrans-58.1-47.6177.2176.955.4000110.3V10 V17 L72 R73 H78 I79 Q82 L89 Y111V10-L76 HydrophobicContact CB-CD2 4.36Å; V10-L76 HydrophobicContact CG2-CB 3.93Å; V10-L76 HydrophobicContact CG2-CD2 3.75Å; V10-L76 HydrophobicContact CG2-CG 4.46Å; V17-L76 HydrophobicContact CG1-CD2 4.25Å; V17-L76 HydrophobicContact CG2-CB 4.43Å; V17-L76 HydrophobicContact CG2-CD2 4.26Å; V17-L76 HydrophobicContact CG2-CG 4.01Å; L72-L76 PolarHBondContact O-N 2.77Å; R73-L76 PolarHBondContact O-N 3.33Å; L76-H78 PolarHBondContact O-N 2.83Å; L76-I79 HydrophobicContact CD1-CD1 4.42Å; L76-I79 WeakPolarHBondContact O-CB 3.43Å; L76-I79 PolarHBondContact O-N 2.81Å; L76-Q82 VanDerWaalsContact C-NE2 3.29Å; L76-Q82 HydrophobicContact CD1-CG 4.39Å; L76-Q82 PolarHBondContact O-NE2 2.97Å; L76-L89 HydrophobicContact CB-CB 4.1Å; L76-L89 HydrophobicContact CB-CD2 3.86Å; L76-L89 HydrophobicContact CD1-CB 3.98Å; L76-L89 HydrophobicContact CD2-CB 4.39Å; L76-L89 HydrophobicContact CG-CB 4.36Å; L76-Y111 HydrophobicContact CD1-CE2 3.87Å
77A91.9Very high87.1Confident65 Ų6563.3 Ų63.354%0.53733%0.325SS..Hα-helixtrans-56.6-24.817900000114.2V17 R73 M74 T75V17-A77 HydrophobicContact CG2-CB 3.9Å; R73-A77 WeakPolarHBondContact O-CB 3.33Å; R73-A77 PolarHBondContact O-N 2.9Å; M74-A77 PolarHBondContact O-N 3.06Å; T75-A77 VanDerWaalsContact C-N 3.33Å; T75-A77 PolarHBondContact O-N 3.1Å
78H90.3Very high87.2Confident58 Ų5863 Ų6327%0.26932%0.317SS..Hα-helixtrans-82.3-20.9177.1-167.886.9000113.4M74 T75 L76 K80 N140 F144M74-H78 PolarHBondContact O-N 3.42Å; T75-H78 PolarHBondContact O-N 2.94Å; T75-H78 VanDerWaalsContact O-N 3.12Å; L76-H78 PolarHBondContact O-N 2.83Å; H78-K80 PolarHBondContact O-N 3.01Å; H78-N140 PolarHBondContact CD2-ND2 3.23Å; H78-N140 PolarHBondContact NE2-ND2 3.17Å; H78-N140 VanDerWaalsContact NE2-ND2 3.12Å; H78-N140 PolarHBondContact O-OD1 2.83Å; H78-F144 HydrophobicContact CB-CD2 3.71Å; H78-F144 HydrophobicContact CB-CE2 4.04Å; H78-F144 HydrophobicContact CB-CG 4.05Å; H78-F144 AromaticContact CD2-CD2 4Å; H78-F144 AromaticContact CG-CD2 3.44Å; H78-F144 VanDerWaalsContact CG-CD2 3.44Å; H78-F144 AromaticContact CG-CG 3.87Å; H78-F144 AromaticContact ND1-CD2 3.48Å; H78-F144 WeakPolarHBondContact ND1-CD2 3.42Å
79I89.6Confident87.5Confident5 Ų561 Ų613%0.02631%0.306CS..  trans-70.5115.6177.5-62.9174.1000109.3T75 L76 D81 L89 Y111 L137 V141T75-I79 PolarHBondContact O-N 2.87Å; L76-I79 HydrophobicContact CD1-CD1 4.42Å; L76-I79 WeakPolarHBondContact O-CB 3.43Å; L76-I79 PolarHBondContact O-N 2.81Å; I79-D81 VanDerWaalsContact C-N 3.3Å; I79-D81 HydrophobicContact CG2-CB 4.14Å; I79-D81 PolarHBondContact O-N 2.91Å; I79-L89 HydrophobicContact CD1-CD1 4.19Å; I79-L89 HydrophobicContact CD1-CD2 4.23Å; I79-Y111 HydrophobicContact CD1-CD2 3.92Å; I79-Y111 HydrophobicContact CD1-CE2 4.08Å; I79-Y111 HydrophobicContact CG2-CE2 3.97Å; I79-L137 HydrophobicContact CG2-CD2 3.7Å; I79-V141 HydrophobicContact CD1-CG2 3.99Å; I79-V141 HydrophobicContact CG1-CG2 4Å
80K74.8Confident87.7Confident187 Ų18763.3 Ų63.381%0.81332%0.317SS*.THydrogen-bonded Turntrans-80-4.1-174.9-59.9-173.8179-178.50115H78 Q82H78-K80 PolarHBondContact O-N 3.01Å; K80-Q82 PolarHBondContact O-N 2.89Å
81D72.1Confident88Confident53 Ų5358.6 Ų58.628%0.28330%0.297SS..THydrogen-bonded Turntrans-81.93.3-179.1-161.435.7000113.3I79 K83 Y111 R133I79-D81 VanDerWaalsContact C-N 3.3Å; I79-D81 HydrophobicContact CG2-CB 4.14Å; I79-D81 PolarHBondContact O-N 2.91Å; D81-K83 VanDerWaalsContact C-N 3.29Å; D81-K83 PolarHBondContact O-N 2.83Å; D81-Y111 HydrophobicContact CB-CE1 4.41Å; D81-R133 IonicContact OD2-CZ 3.06Å; D81-R133 IonicContact OD2-NE 4Å; D81-R133 IonicContact OD2-NH2 3.89Å; D81-R133 PolarHBondContact OD2-NH2 3.38Å
82Q63.6Low88.3Confident29 Ų2956.1 Ų56.114%0.13628%0.284CS..  trans-72.380.7179-62.4-174.139.800111.5S12 L76 K80S12-Q82 VanDerWaalsContact OG-CD 3.25Å; S12-Q82 PolarHBondContact OG-OE1 2.03Å; L76-Q82 VanDerWaalsContact C-NE2 3.29Å; L76-Q82 HydrophobicContact CD1-CG 4.39Å; L76-Q82 PolarHBondContact O-NE2 2.97Å; K80-Q82 PolarHBondContact O-N 2.89Å
83K68.6Low88.4Confident155 Ų15556.9 Ų56.967%0.67429%0.286SS*.  trans-79.9-169.4171.8-68-176.6-179.5175.10110.1D81 H87D81-K83 VanDerWaalsContact C-N 3.29Å; D81-K83 PolarHBondContact O-N 2.83Å; K83-H87 PolarHBondContact N-NE2 2.87Å; K83-H87 PolarHBondContact O-NE2 2.76Å
84E77.9Confident88.6Confident184 Ų18454.2 Ų54.286%0.8628%0.278SS*.SBendtrans-53.3141.2170.4-64-179.517200110.9
85G82.9Confident88.7Confident34 Ų3450.1 Ų50.135%0.35126%0.258SS..SBendtrans106.9-173.2-18000000114.7G13 D14G13-G85 WeakPolarHBondContact CA-O 3.01Å; D14-G85 PolarHBondContact N-O 3.22Å; D14-G85 PolarHBondContact OD1-N 3.47Å
86L90.6Very high88.8Confident118 Ų11852.5 Ų52.562%0.61827%0.269SS*.EExtended strand (participates in β ladder)trans-96.4126.4-177-173.178.2000109.8S12S12-L86 WeakPolarHBondContact O-CA 3.38Å; S12-L86 WeakPolarHBondContact O-CD1 3.37Å
87H93.1Very high88.8Confident20 Ų2053.4 Ų53.49%0.09327%0.273CS..EExtended strand (participates in β ladder)trans-119.5156.9174.2-62.2-76.5000111.6L11 S12 K83 Y111 D112L11-H87 CarbonylContact C-O 3.57Å; L11-H87 VanDerWaalsContact CA-O 3.29Å; L11-H87 WeakPolarHBondContact CA-O 3.44Å; S12-H87 PolarHBondContact N-O 3.4Å; S12-H87 PolarHBondContact O-N 2.88Å; K83-H87 PolarHBondContact N-NE2 2.87Å; K83-H87 PolarHBondContact O-NE2 2.76Å; H87-Y111 HydrophobicContact CB-CE2 4.38Å; H87-Y111 AromaticContact ND1-CZ 4Å; H87-Y111 PolarHBondContact ND1-OH 3.38Å; H87-D112 VanDerWaalsContact CA-OD1 3.25Å; H87-D112 WeakPolarHBondContact CA-OD1 3.48Å; H87-D112 IonicContact CE1-OD2 2.74Å; H87-D112 IonicContact CG-OD2 3.66Å; H87-D112 IonicContact ND1-OD1 3Å; H87-D112 IonicContact ND1-OD2 3.01Å; H87-D112 PolarHBondContact ND1-OD2 3.23Å
88S95.2Very high88.8Confident29 Ų2952.3 Ų52.320%0.20326%0.257CS..EExtended strand (participates in β ladder)trans-136.7139.4-178.462.10000111.5V10 Y111 D112V10-S88 WeakPolarHBondContact O-CA 3.4Å; S88-Y111 WeakPolarHBondContact O-CA 3.38Å; S88-Y111 VanDerWaalsContact O-CD2 3.26Å; S88-Y111 WeakPolarHBondContact O-CD2 3.21Å; S88-D112 PolarHBondContact N-OD1 2.81Å; S88-D112 PolarHBondContact O-N 3.19Å; S88-D112 WeakPolarHBondContact OG-CA 3.37Å; S88-D112 PolarHBondContact OG-N 2.8Å; S88-D112 PolarHBondContact OG-OD1 2.93Å
89L96.9Very high88.6Confident0 Ų057.5 Ų57.50%028%0.281CS..EExtended strand (participates in β ladder)trans-123.1127.5166.5176.268.7000108.1T9 V10 L72 T75 L76 I79 Y110 F116T9-L89 WeakPolarHBondContact CA-O 3.18Å; V10-L89 HydrophobicContact CG2-CB 3.85Å; V10-L89 HydrophobicContact CG2-CG 4.49Å; V10-L89 WeakPolarHBondContact CG2-O 3.34Å; V10-L89 PolarHBondContact N-O 2.91Å; V10-L89 PolarHBondContact O-N 3.13Å; L72-L89 HydrophobicContact CD1-CD2 3.62Å; L72-L89 HydrophobicContact CD1-CG 3.85Å; L72-L89 HydrophobicContact CG-CD2 4.1Å; L72-L89 HydrophobicContact CG-CG 4.28Å; T75-L89 HydrophobicContact CG2-CD2 3.8Å; L76-L89 HydrophobicContact CB-CB 4.1Å; L76-L89 HydrophobicContact CB-CD2 3.86Å; L76-L89 HydrophobicContact CD1-CB 3.98Å; L76-L89 HydrophobicContact CD2-CB 4.39Å; L76-L89 HydrophobicContact CG-CB 4.36Å; I79-L89 HydrophobicContact CD1-CD1 4.19Å; I79-L89 HydrophobicContact CD1-CD2 4.23Å; L89-Y110 WeakPolarHBondContact CA-O 3.29Å; L89-F116 HydrophobicContact CD1-CE1 3.83Å; L89-F116 HydrophobicContact CD1-CZ 4Å
90Q98.1Very high88.7Confident50 Ų5062.9 Ų62.923%0.23431%0.31CS..EExtended strand (participates in β ladder)trans-120.9135.3179.1-176.4176.381.600110.2N7 L8 T9 I92 F109 Y110N7-Q90 PolarHBondContact ND2-NE2 2.67Å; N7-Q90 WeakPolarHBondContact OD1-CG 3.24Å; N7-Q90 PolarHBondContact OD1-NE2 2.96Å; L8-Q90 CarbonylContact O-C 3.57Å; L8-Q90 WeakPolarHBondContact O-CA 3.11Å; L8-Q90 WeakPolarHBondContact O-CG 3.36Å; T9-Q90 PolarHBondContact OG1-NE2 3.01Å; Q90-I92 HydrophobicContact CG-CD1 4.42Å; Q90-I92 HydrophobicContact CG-CG1 4Å; Q90-F109 CarbonylContact O-C 3.52Å; Q90-F109 VanDerWaalsContact O-CA 3.31Å; Q90-F109 WeakPolarHBondContact O-CA 3.29Å; Q90-Y110 PolarHBondContact N-O 2.83Å; Q90-Y110 PolarHBondContact O-N 3.33Å
91E97.9Very high89.4Confident20 Ų2060.2 Ų60.29%0.09331%0.305CS..EExtended strand (participates in β ladder)trans-115.6123.4172.2178.8-168-103.500108.9L8 L72 R93 Q107 H108 F109L8-E91 PolarHBondContact N-O 3.14Å; L8-E91 PolarHBondContact O-N 3.11Å; L72-E91 HydrophobicContact CD1-CB 3.73Å; L72-E91 HydrophobicContact CD2-CB 3.9Å; L72-E91 HydrophobicContact CG-CB 4.46Å; E91-R93 HydrophobicContact CG-CG 4.21Å; E91-R93 IonicContact OE2-NE 3.19Å; E91-R93 PolarHBondContact OE2-NE 2.85Å; E91-Q107 HydrophobicContact CG-CG 4.05Å; E91-Q107 PolarHBondContact OE1-NE2 3.35Å; E91-H108 CarbonylContact C-O 3.51Å; E91-H108 WeakPolarHBondContact CA-O 3.47Å; E91-F109 HydrophobicContact CB-CD1 4.2Å; E91-F109 HydrophobicContact CB-CE1 4.04Å; E91-F109 HydrophobicContact CG-CD1 4.35Å; E91-F109 HydrophobicContact CG-CE1 3.86Å; E91-F109 HydrophobicContact CG-CZ 4.23Å
92I98.1Very high90.5Very high3 Ų359.8 Ų59.82%0.01531%0.306CS..EExtended strand (participates in β ladder)trans-116.1112.8177.1-52.4-173.3000108.8R5 Y6 Q90 Q107 H108 Y110R5-I92 HydrophobicContact CG-CG2 3.98Å; Y6-I92 CarbonylContact O-C 3.58Å; Y6-I92 VanDerWaalsContact O-CA 3.3Å; Y6-I92 WeakPolarHBondContact O-CA 3.35Å; Q90-I92 HydrophobicContact CG-CD1 4.42Å; Q90-I92 HydrophobicContact CG-CG1 4Å; I92-Q107 CarbonylContact O-C 3.48Å; I92-Q107 VanDerWaalsContact O-CA 3.32Å; I92-Q107 WeakPolarHBondContact O-CA 3.28Å; I92-H108 HydrophobicContact CB-CB 4.37Å; I92-H108 PolarHBondContact N-O 3.32Å; I92-H108 PolarHBondContact O-N 2.69Å; I92-Y110 HydrophobicContact CB-CE2 4.49Å; I92-Y110 HydrophobicContact CD1-CD2 3.98Å; I92-Y110 HydrophobicContact CD1-CE2 3.57Å; I92-Y110 HydrophobicContact CG1-CD2 4.2Å; I92-Y110 HydrophobicContact CG1-CE2 4.02Å
93R97.1Very high92Very high19 Ų1960.1 Ų60.17%0.07231%0.31CS..EExtended strand (participates in β ladder)trans-106.1130.6173.5-66.6179.1-67.3108.88.1109.2R5 Y6 N68 E91 S106 Q107 M159R5-R93 CarbonylContact C-O 3.54Å; R5-R93 WeakPolarHBondContact CA-O 3.46Å; Y6-R93 PolarHBondContact N-O 3.12Å; Y6-R93 PolarHBondContact O-N 3.28Å; N68-R93 PolarHBondContact ND2-NH2 3.26Å; N68-R93 VanDerWaalsContact ND2-NH2 3.16Å; E91-R93 HydrophobicContact CG-CG 4.21Å; E91-R93 IonicContact OE2-NE 3.19Å; E91-R93 PolarHBondContact OE2-NE 2.85Å; R93-S106 WeakPolarHBondContact CA-O 3.28Å; R93-Q107 HydrophobicContact CG-CB 4.14Å; R93-Q107 HydrophobicContact CG-CG 3.83Å; R93-M159 WeakPolarHBondContact CD-SD 3.36Å; R93-M159 HydrophobicContact CG-SD 4.19Å
94V97.8Very high93.2Very high17 Ų1759.8 Ų59.810%0.10331%0.305CS..EExtended strand (participates in β ladder)trans-134139.3178.962.20000110.4L4 R5 E96 S105 S106L4-V94 WeakPolarHBondContact O-CA 3.46Å; R5-V94 HydrophobicContact CB-CB 4.48Å; R5-V94 HydrophobicContact CB-CG2 4.29Å; V94-E96 HydrophobicContact CG2-CG 4.26Å; V94-S105 CarbonylContact O-C 3.57Å; V94-S105 WeakPolarHBondContact O-CA 3.36Å; V94-S105 VanDerWaalsContact O-CB 3.28Å; V94-S105 WeakPolarHBondContact O-CB 3.37Å; V94-S106 WeakPolarHBondContact CG1-OG 3.4Å; V94-S106 PolarHBondContact N-O 3.18Å; V94-S106 PolarHBondContact O-N 3.05Å
95C97.3Very high94.1Very high0 Ų051.3 Ų51.30%027%0.265CS..EExtended strand (participates in β ladder)trans-131.2148.4165.756.40000110.7S3 L4 R104 C163 L164S3-C95 CarbonylContact C-O 3.53Å; S3-C95 VanDerWaalsContact CA-O 3.28Å; S3-C95 WeakPolarHBondContact CA-O 3.41Å; L4-C95 PolarHBondContact N-O 3.42Å; L4-C95 PolarHBondContact O-N 3.17Å; C95-R104 CarbonylContact C-O 3.6Å; C95-R104 VanDerWaalsContact CA-O 3.23Å; C95-R104 WeakPolarHBondContact CA-O 3.48Å; C95-C163 HydrophobicContact CB-CB 3.75Å; C95-C163 WeakPolarHBondContact CB-SG 3.37Å; C95-C163 WeakPolarHBondContact SG-CB 3.26Å; C95-C163 PolarHBondContact SG-O 2.53Å; C95-C163 CovalentContact SG-SG 2.04Å; C95-C163 PolarHBondContact SG-SG 2.88Å; C95-L164 HydrophobicContact CB-CD2 3.87Å; C95-L164 HydrophobicContact CB-CG 4.17Å
96E96.5Very high94.8Very high57 Ų5751 Ų5127%0.26626%0.258SS..EExtended strand (participates in β ladder)trans-133.6146-174.3-53.9-17715600110.4P1 H2 V94 H98 T103 R104P1-E96 HydrophobicContact CB-CB 4.49Å; H2-E96 CarbonylContact O-C 3.49Å; H2-E96 WeakPolarHBondContact O-CA 3.4Å; V94-E96 HydrophobicContact CG2-CG 4.26Å; E96-H98 IonicContact OE2-NE2 2.96Å; E96-T103 VanDerWaalsContact O-CA 3.28Å; E96-T103 WeakPolarHBondContact O-CA 3.39Å; E96-R104 HydrophobicContact CB-CB 4.28Å; E96-R104 PolarHBondContact N-O 3.15Å; E96-R104 PolarHBondContact O-N 2.87Å; E96-R104 VanDerWaalsContact O-N 3.09Å
97I94.8Very high95.1Very high19 Ų1945.5 Ų45.510%0.09723%0.229CC..EExtended strand (participates in β ladder)trans-123118.4169.5-62169.1000107.5P1 H2 T103 L164 L167 R168 L171P1-I97 CarbonylContact C-O 3.58Å; P1-I97 VanDerWaalsContact CA-O 3.27Å; P1-I97 WeakPolarHBondContact CA-O 3.41Å; P1-I97 WeakPolarHBondContact CB-O 3.45Å; H2-I97 PolarHBondContact N-O 3.44Å; H2-I97 PolarHBondContact O-N 2.85Å; I97-T103 HydrophobicContact CG1-CG2 4.44Å; I97-L164 HydrophobicContact CD1-CD2 4.43Å; I97-L164 HydrophobicContact CG1-CD2 3.95Å; I97-L167 HydrophobicContact CB-CD2 4.39Å; I97-L167 HydrophobicContact CD1-CD2 3.77Å; I97-L167 HydrophobicContact CD1-CG 4.02Å; I97-L167 HydrophobicContact CG1-CD2 3.79Å; I97-R168 HydrophobicContact CD1-CG 3.64Å; I97-L171 HydrophobicContact CD1-CD1 4.39Å
98H91.6Very high95.3Very high42 Ų4246.5 Ų46.519%0.19423%0.234CC..  trans-86.1169.6179.1-66.8-92.6000111.9E96 D100 N101 S102 R104E96-H98 IonicContact OE2-NE2 2.96Å; H98-D100 VanDerWaalsContact C-N 3.25Å; H98-D100 WeakPolarHBondContact CB-OD1 3.46Å; H98-D100 PolarHBondContact O-N 2.88Å; H98-N101 WeakPolarHBondContact O-CA 3.37Å; H98-N101 PolarHBondContact O-N 2.93Å; H98-S102 WeakPolarHBondContact CB-OG 3.49Å; H98-S102 PolarHBondContact CD2-O 2.81Å; H98-S102 PolarHBondContact N-O 2.89Å; H98-R104 VanDerWaalsContact NE2-CD 3.32Å; H98-R104 WeakPolarHBondContact NE2-CD 3.43Å; H98-R104 PolarHBondContact NE2-NE 3.36Å
99E86.8Confident95.5Very high167 Ų16745.2 Ų45.278%0.7823%0.225SC*.THydrogen-bonded Turntrans-63.5-31.4-178.9-66.4176.6-17400112.6N101E99-N101 PolarHBondContact O-N 2.95Å
100D91.4Very high95.5Very high118 Ų11848 Ų4863%0.63124%0.235SC*.THydrogen-bonded Turntrans-79.37.6173.567.1-10.4000113.3H98 S102H98-D100 VanDerWaalsContact C-N 3.25Å; H98-D100 WeakPolarHBondContact CB-OD1 3.46Å; H98-D100 PolarHBondContact O-N 2.88Å; D100-S102 PolarHBondContact O-N 2.86Å; D100-S102 WeakPolarHBondContact OD1-CB 3.33Å; D100-S102 PolarHBondContact OD1-N 2.8Å; D100-S102 PolarHBondContact OD1-OG 2.97Å; D100-S102 PolarHBondContact OD2-OG 2.77Å
101N89.6Confident95.5Very high130 Ų13045.8 Ų45.870%0.69523%0.225SC*.SBendtrans62.19.7-171.7-59.3-68.5000115.1H98 E99H98-N101 WeakPolarHBondContact O-CA 3.37Å; H98-N101 PolarHBondContact O-N 2.93Å; E99-N101 PolarHBondContact O-N 2.95Å
102S94.3Very high95.3Very high45 Ų4547.5 Ų47.532%0.31524%0.235SC..  trans-64146.9167.467.90000109.7H98 D100H98-S102 WeakPolarHBondContact CB-OG 3.49Å; H98-S102 PolarHBondContact CD2-O 2.81Å; H98-S102 PolarHBondContact N-O 2.89Å; D100-S102 PolarHBondContact O-N 2.86Å; D100-S102 WeakPolarHBondContact OD1-CB 3.33Å; D100-S102 PolarHBondContact OD1-N 2.8Å; D100-S102 PolarHBondContact OD1-OG 2.97Å; D100-S102 PolarHBondContact OD2-OG 2.77Å
103T95.2Very high95.2Very high35 Ų3550.3 Ų50.322%0.21526%0.264CS..EExtended strand (participates in β ladder)trans-105.9157.9176.960.20000109.6E96 I97 E122 L164E96-T103 VanDerWaalsContact O-CA 3.28Å; E96-T103 WeakPolarHBondContact O-CA 3.39Å; I97-T103 HydrophobicContact CG1-CG2 4.44Å; T103-E122 WeakPolarHBondContact CB-OE1 3.31Å; T103-E122 PolarHBondContact OG1-OE1 3.47Å; T103-L164 HydrophobicContact CG2-CD1 3.85Å; T103-L164 HydrophobicContact CG2-CD2 3.82Å
104R94.5Very high95.2Very high149 Ų14955 Ų5556%0.56229%0.287SS*.EExtended strand (participates in β ladder)trans-136.7145.3160.8-65.5-176.1-176.4-162.7-1.9108.2C95 E96 H98 E122C95-R104 CarbonylContact C-O 3.6Å; C95-R104 VanDerWaalsContact CA-O 3.23Å; C95-R104 WeakPolarHBondContact CA-O 3.48Å; E96-R104 HydrophobicContact CB-CB 4.28Å; E96-R104 PolarHBondContact N-O 3.15Å; E96-R104 PolarHBondContact O-N 2.87Å; E96-R104 VanDerWaalsContact O-N 3.09Å; H98-R104 VanDerWaalsContact NE2-CD 3.32Å; H98-R104 WeakPolarHBondContact NE2-CD 3.43Å; H98-R104 PolarHBondContact NE2-NE 3.36Å; R104-E122 WeakPolarHBondContact CA-OE1 3.14Å; R104-E122 PolarHBondContact N-OE1 2.89Å; R104-E122 VanDerWaalsContact N-OE1 3.14Å
105S96.2Very high95.2Very high5 Ų557.2 Ų57.24%0.03530%0.298CS..EExtended strand (participates in β ladder)trans-154.4149.8165.761.30000113.2V94 L121 H160V94-S105 CarbonylContact O-C 3.57Å; V94-S105 WeakPolarHBondContact O-CA 3.36Å; V94-S105 VanDerWaalsContact O-CB 3.28Å; V94-S105 WeakPolarHBondContact O-CB 3.37Å; S105-L121 PolarHBondContact O-N 3.34Å; S105-L121 WeakPolarHBondContact OG-CB 3.26Å; S105-H160 PolarHBondContact OG-CD2 2.89Å
106S97.2Very high95.2Very high27 Ų2757.4 Ų57.419%0.18930%0.299CS..EExtended strand (participates in β ladder)trans-155.7159.2-175.550.30000111.8R93 V94 H108 Q119R93-S106 WeakPolarHBondContact CA-O 3.28Å; V94-S106 WeakPolarHBondContact CG1-OG 3.4Å; V94-S106 PolarHBondContact N-O 3.18Å; V94-S106 PolarHBondContact O-N 3.05Å; S106-H108 PolarHBondContact OG-CE1 2.88Å; S106-Q119 CarbonylContact C-O 3.59Å; S106-Q119 WeakPolarHBondContact CA-O 3.45Å; S106-Q119 VanDerWaalsContact CB-O 3.28Å; S106-Q119 WeakPolarHBondContact CB-O 3.14Å
107Q97.3Very high95.2Very high3 Ų354.7 Ų54.71%0.01429%0.286CS..EExtended strand (participates in β ladder)trans-125.3141.2173-179.9176.741.700109.3E91 I92 R93 F109 S118 Q119 L121E91-Q107 HydrophobicContact CG-CG 4.05Å; E91-Q107 PolarHBondContact OE1-NE2 3.35Å; I92-Q107 CarbonylContact O-C 3.48Å; I92-Q107 VanDerWaalsContact O-CA 3.32Å; I92-Q107 WeakPolarHBondContact O-CA 3.28Å; R93-Q107 HydrophobicContact CG-CB 4.14Å; R93-Q107 HydrophobicContact CG-CG 3.83Å; Q107-F109 VanDerWaalsContact CD-CZ 3.49Å; Q107-F109 HydrophobicContact CG-CD2 4.39Å; Q107-F109 HydrophobicContact CG-CE2 3.7Å; Q107-F109 HydrophobicContact CG-CZ 3.95Å; Q107-S118 CarbonylContact O-C 3.59Å; Q107-S118 WeakPolarHBondContact O-CA 3.34Å; Q107-Q119 PolarHBondContact N-O 2.86Å; Q107-Q119 PolarHBondContact O-N 3.18Å; Q107-L121 HydrophobicContact CB-CD1 4.45Å
108H98.3Very high95.4Very high42 Ų4254.8 Ų54.819%0.19429%0.288CS..EExtended strand (participates in β ladder)trans-134.4137.7-178.1-52.984.7000109.7E91 I92 S106 Y110 L115 S118E91-H108 CarbonylContact C-O 3.51Å; E91-H108 WeakPolarHBondContact CA-O 3.47Å; I92-H108 HydrophobicContact CB-CB 4.37Å; I92-H108 PolarHBondContact N-O 3.32Å; I92-H108 PolarHBondContact O-N 2.69Å; S106-H108 PolarHBondContact OG-CE1 2.88Å; H108-Y110 HydrophobicContact CB-CD2 4.34Å; H108-Y110 HydrophobicContact CB-CE2 3.58Å; H108-L115 HydrophobicContact CB-CD1 4.06Å; H108-S118 VanDerWaalsContact CD2-CB 3.47Å; H108-S118 WeakPolarHBondContact CD2-CB 3.49Å
109F98.1Very high95.7Very high2 Ų252.9 Ų52.91%0.00928%0.28CS..EExtended strand (participates in β ladder)trans-115.3128.3176.1-63.6-89.4000110.3L72 Q90 E91 Q107 F116 L117 W126 L145L72-F109 HydrophobicContact CD1-CD1 4.41Å; L72-F109 HydrophobicContact CD1-CE1 4.19Å; Q90-F109 CarbonylContact O-C 3.52Å; Q90-F109 VanDerWaalsContact O-CA 3.31Å; Q90-F109 WeakPolarHBondContact O-CA 3.29Å; E91-F109 HydrophobicContact CB-CD1 4.2Å; E91-F109 HydrophobicContact CB-CE1 4.04Å; E91-F109 HydrophobicContact CG-CD1 4.35Å; E91-F109 HydrophobicContact CG-CE1 3.86Å; E91-F109 HydrophobicContact CG-CZ 4.23Å; Q107-F109 VanDerWaalsContact CD-CZ 3.49Å; Q107-F109 HydrophobicContact CG-CD2 4.39Å; Q107-F109 HydrophobicContact CG-CE2 3.7Å; Q107-F109 HydrophobicContact CG-CZ 3.95Å; F109-F116 HydrophobicContact CB-CD1 4.33Å; F109-F116 HydrophobicContact CB-CE1 3.56Å; F109-F116 HydrophobicContact CB-CE2 4.15Å; F109-F116 HydrophobicContact CB-CZ 3.46Å; F109-F116 VanDerWaalsContact CB-CZ 3.46Å; F109-F116 HydrophobicContact CG-CZ 4.35Å; F109-F116 VanDerWaalsContact O-CD1 3.3Å; F109-F116 WeakPolarHBondContact O-CD1 3.25Å; F109-F116 PolarHBondContact O-N 3.5Å; F109-F116 VanDerWaalsContact O-N 3.08Å; F109-L117 HydrophobicContact CB-CB 4.29Å; F109-L117 HydrophobicContact CD2-CB 4.33Å; F109-L117 HydrophobicContact CD2-CD2 4.21Å; F109-L117 HydrophobicContact CD2-CG 4.3Å; F109-L117 PolarHBondContact N-O 3.15Å; F109-W126 HydrophobicContact CE2-CZ3 4.33Å; F109-L145 HydrophobicContact CZ-CD1 4.44Å
110Y98.3Very high96.1Very high58 Ų5847.7 Ų47.723%0.22726%0.257CS..EExtended strand (participates in β ladder)trans-118.8134.7177-60.4-105.8000109.3L89 Q90 I92 H108 E114 L115L89-Y110 WeakPolarHBondContact CA-O 3.29Å; Q90-Y110 PolarHBondContact N-O 2.83Å; Q90-Y110 PolarHBondContact O-N 3.33Å; I92-Y110 HydrophobicContact CB-CE2 4.49Å; I92-Y110 HydrophobicContact CD1-CD2 3.98Å; I92-Y110 HydrophobicContact CD1-CE2 3.57Å; I92-Y110 HydrophobicContact CG1-CD2 4.2Å; I92-Y110 HydrophobicContact CG1-CE2 4.02Å; H108-Y110 HydrophobicContact CB-CD2 4.34Å; H108-Y110 HydrophobicContact CB-CE2 3.58Å; Y110-E114 CarbonylContact C-O 3.59Å; Y110-E114 WeakPolarHBondContact CA-O 2.97Å; Y110-L115 HydrophobicContact CD1-CB 3.85Å; Y110-L115 HydrophobicContact CD1-CD1 4.48Å; Y110-L115 VanDerWaalsContact CD1-N 3.33Å; Y110-L115 HydrophobicContact CD2-CD1 4.48Å; Y110-L115 HydrophobicContact CE1-CB 3.59Å; Y110-L115 HydrophobicContact CE1-CD1 4.08Å; Y110-L115 HydrophobicContact CE1-CG 4.38Å; Y110-L115 HydrophobicContact CE2-CD1 4.07Å
111Y96.5Very high96.2Very high3 Ų342.3 Ų42.31%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-119.4123.5174.9-173.6-106000108.2L76 I79 D81 H87 S88 G113 E114 L137L76-Y111 HydrophobicContact CD1-CE2 3.87Å; I79-Y111 HydrophobicContact CD1-CD2 3.92Å; I79-Y111 HydrophobicContact CD1-CE2 4.08Å; I79-Y111 HydrophobicContact CG2-CE2 3.97Å; D81-Y111 HydrophobicContact CB-CE1 4.41Å; H87-Y111 HydrophobicContact CB-CE2 4.38Å; H87-Y111 AromaticContact ND1-CZ 4Å; H87-Y111 PolarHBondContact ND1-OH 3.38Å; S88-Y111 WeakPolarHBondContact O-CA 3.38Å; S88-Y111 VanDerWaalsContact O-CD2 3.26Å; S88-Y111 WeakPolarHBondContact O-CD2 3.21Å; Y111-G113 PolarHBondContact O-N 2.97Å; Y111-G113 VanDerWaalsContact O-N 3.15Å; Y111-E114 PolarHBondContact N-O 2.88Å; Y111-E114 PolarHBondContact O-N 2.94Å; Y111-L137 HydrophobicContact CD1-CD1 3.8Å; Y111-L137 HydrophobicContact CD1-CD2 4.31Å; Y111-L137 HydrophobicContact CG-CD1 4.18Å
112D95Very high96.2Very high57 Ų5739.5 Ų39.531%0.30521%0.211SC..THydrogen-bonded Turntrans50.537.5-174.5-63.6-18.2000113.8H87 S88 E114H87-D112 VanDerWaalsContact CA-OD1 3.25Å; H87-D112 WeakPolarHBondContact CA-OD1 3.48Å; H87-D112 IonicContact CE1-OD2 2.74Å; H87-D112 IonicContact CG-OD2 3.66Å; H87-D112 IonicContact ND1-OD1 3Å; H87-D112 IonicContact ND1-OD2 3.01Å; H87-D112 PolarHBondContact ND1-OD2 3.23Å; S88-D112 PolarHBondContact N-OD1 2.81Å; S88-D112 PolarHBondContact O-N 3.19Å; S88-D112 WeakPolarHBondContact OG-CA 3.37Å; S88-D112 PolarHBondContact OG-N 2.8Å; S88-D112 PolarHBondContact OG-OD1 2.93Å; D112-E114 VanDerWaalsContact C-N 3.3Å; D112-E114 PolarHBondContact O-N 3.17Å
113G95Very high96.1Very high61 Ų6140.7 Ų40.763%0.62922%0.216SC*.THydrogen-bonded Turntrans84.2-7.4179.500000115.1Y111Y111-G113 PolarHBondContact O-N 2.97Å; Y111-G113 VanDerWaalsContact O-N 3.15Å
114E96.8Very high95.8Very high119 Ų11941 Ų4156%0.55622%0.216SC*.EExtended strand (participates in β ladder)trans-97.8129.5179.7-63.4-170.5166.200111.7Y110 Y111 D112 F116Y110-E114 CarbonylContact C-O 3.59Å; Y110-E114 WeakPolarHBondContact CA-O 2.97Å; Y111-E114 PolarHBondContact N-O 2.88Å; Y111-E114 PolarHBondContact O-N 2.94Å; D112-E114 VanDerWaalsContact C-N 3.3Å; D112-E114 PolarHBondContact O-N 3.17Å; E114-F116 PolarHBondContact O-N 2.86Å
115L98.3Very high95.8Very high63 Ų6340 Ų4033%0.3322%0.217SC..EExtended strand (participates in β ladder)trans-62.6131.9172.3178.467.1000108.9H108 Y110 P129H108-L115 HydrophobicContact CB-CD1 4.06Å; Y110-L115 HydrophobicContact CD1-CB 3.85Å; Y110-L115 HydrophobicContact CD1-CD1 4.48Å; Y110-L115 VanDerWaalsContact CD1-N 3.33Å; Y110-L115 HydrophobicContact CD2-CD1 4.48Å; Y110-L115 HydrophobicContact CE1-CB 3.59Å; Y110-L115 HydrophobicContact CE1-CD1 4.08Å; Y110-L115 HydrophobicContact CE1-CG 4.38Å; Y110-L115 HydrophobicContact CE2-CD1 4.07Å; L115-P129 HydrophobicContact CD2-CG 4.46Å; L115-P129 HydrophobicContact CG-CG 4.3Å; L115-P129 WeakPolarHBondContact O-CG 2.9Å
116F97.3Very high95.8Very high3 Ų342 Ų421%0.01322%0.224CC..EExtended strand (participates in β ladder)trans-129.8-2117472.2-90.2000114L89 F109 E114 P129 A134 L137 A138 V141L89-F116 HydrophobicContact CD1-CE1 3.83Å; L89-F116 HydrophobicContact CD1-CZ 4Å; F109-F116 HydrophobicContact CB-CD1 4.33Å; F109-F116 HydrophobicContact CB-CE1 3.56Å; F109-F116 HydrophobicContact CB-CE2 4.15Å; F109-F116 HydrophobicContact CB-CZ 3.46Å; F109-F116 VanDerWaalsContact CB-CZ 3.46Å; F109-F116 HydrophobicContact CG-CZ 4.35Å; F109-F116 VanDerWaalsContact O-CD1 3.3Å; F109-F116 WeakPolarHBondContact O-CD1 3.25Å; F109-F116 PolarHBondContact O-N 3.5Å; F109-F116 VanDerWaalsContact O-N 3.08Å; E114-F116 PolarHBondContact O-N 2.86Å; F116-P129 VanDerWaalsContact O-CD 3.26Å; F116-P129 WeakPolarHBondContact O-CD 3.39Å; F116-A134 HydrophobicContact CB-CB 3.97Å; F116-L137 HydrophobicContact CB-CB 4.28Å; F116-L137 HydrophobicContact CB-CD1 4.4Å; F116-L137 HydrophobicContact CD2-CB 3.61Å; F116-L137 HydrophobicContact CE2-CB 4.07Å; F116-L137 HydrophobicContact CG-CB 3.95Å; F116-L137 HydrophobicContact CG-CD1 4.38Å; F116-A138 HydrophobicContact CD2-CB 4.23Å; F116-V141 HydrophobicContact CE2-CB 4.13Å; F116-V141 HydrophobicContact CE2-CG2 3.87Å; F116-V141 HydrophobicContact CZ-CG2 3.96Å
117L97.9Very high95.8Very high1 Ų144.9 Ų44.91%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-149.8136.6-179-176.561.4000110.5F109 W126 A138 V141F109-L117 HydrophobicContact CB-CB 4.29Å; F109-L117 HydrophobicContact CD2-CB 4.33Å; F109-L117 HydrophobicContact CD2-CD2 4.21Å; F109-L117 HydrophobicContact CD2-CG 4.3Å; F109-L117 PolarHBondContact N-O 3.15Å; L117-W126 HydrophobicContact CD1-CD2 4.45Å; L117-W126 HydrophobicContact CD1-CE3 3.48Å; L117-W126 VanDerWaalsContact CD1-CE3 3.48Å; L117-W126 HydrophobicContact CD1-CZ3 4.06Å; L117-W126 HydrophobicContact CD2-CE3 3.85Å; L117-W126 HydrophobicContact CD2-CZ3 3.53Å; L117-W126 HydrophobicContact CG-CE3 3.64Å; L117-W126 HydrophobicContact CG-CZ3 3.67Å; L117-A138 HydrophobicContact CB-CB 4.25Å; L117-A138 HydrophobicContact CD1-CB 3.99Å; L117-V141 HydrophobicContact CD2-CG1 4.25Å
118S97.8Very high95.8Very high20 Ų2048.1 Ų48.114%0.1426%0.256CS..EExtended strand (participates in β ladder)trans-137.2156.7169.664.40000111.4Q107 H108 W126 T127Q107-S118 CarbonylContact O-C 3.59Å; Q107-S118 WeakPolarHBondContact O-CA 3.34Å; H108-S118 VanDerWaalsContact CD2-CB 3.47Å; H108-S118 WeakPolarHBondContact CD2-CB 3.49Å; S118-W126 CarbonylContact O-C 3.57Å; S118-W126 WeakPolarHBondContact O-CA 3.43Å; S118-T127 PolarHBondContact N-O 3.2Å; S118-T127 PolarHBondContact O-N 2.93Å; S118-T127 PolarHBondContact OG-O 3.45Å
119Q97.3Very high95.7Very high3 Ų348.1 Ų48.11%0.01426%0.26CS..EExtended strand (participates in β ladder)trans-134.6132.1175.6-165.1-172.613.800109.6S106 Q107 E125 W126 Y156S106-Q119 CarbonylContact C-O 3.59Å; S106-Q119 WeakPolarHBondContact CA-O 3.45Å; S106-Q119 VanDerWaalsContact CB-O 3.28Å; S106-Q119 WeakPolarHBondContact CB-O 3.14Å; Q107-Q119 PolarHBondContact N-O 2.86Å; Q107-Q119 PolarHBondContact O-N 3.18Å; Q119-E125 WeakPolarHBondContact CA-O 3.26Å; Q119-W126 HydrophobicContact CB-CD2 3.98Å; Q119-W126 HydrophobicContact CB-CE3 3.72Å; Q119-W126 HydrophobicContact CB-CH2 4.13Å; Q119-W126 HydrophobicContact CB-CZ2 4.33Å; Q119-W126 HydrophobicContact CB-CZ3 3.81Å; Q119-W126 VanDerWaalsContact CD-CE2 3.43Å; Q119-W126 HydrophobicContact CG-CD2 3.82Å; Q119-W126 HydrophobicContact CG-CE3 4.11Å; Q119-W126 HydrophobicContact CG-CG 4.22Å; Q119-W126 HydrophobicContact CG-CH2 4.36Å; Q119-W126 HydrophobicContact CG-CZ2 4.05Å; Q119-W126 HydrophobicContact CG-CZ3 4.37Å; Q119-W126 VanDerWaalsContact OE1-CZ2 3.29Å; Q119-Y156 VanDerWaalsContact OE1-CE1 3.29Å
120N96.3Very high95.4Very high58 Ų5856.3 Ų56.331%0.3130%0.298SS..EExtended strand (participates in β ladder)trans-79.2117.8161.8-177-34.3000107.9E122 T123 E124 E125N120-E122 VanDerWaalsContact C-N 3.27Å; N120-E122 PolarHBondContact O-N 2.86Å; N120-E122 WeakPolarHBondContact OD1-CA 3.43Å; N120-E122 WeakPolarHBondContact OD1-CB 3.48Å; N120-E122 PolarHBondContact OD1-N 3.07Å; N120-T123 WeakPolarHBondContact CB-OG1 3.43Å; N120-T123 PolarHBondContact OD1-N 3.35Å; N120-T123 VanDerWaalsContact OD1-N 3.11Å; N120-E124 CarbonylContact O-C 3.47Å; N120-E124 WeakPolarHBondContact O-CA 3.32Å; N120-E124 PolarHBondContact O-N 2.92Å; N120-E125 PolarHBondContact N-O 3.35Å; N120-E125 PolarHBondContact O-N 3.39Å
121L94.1Very high95.3Very high5 Ų555.9 Ų55.93%0.02630%0.304CS..THydrogen-bonded Turntrans-80.3-10.3-175.1-67.1173.9000112.8S105 Q107 Y156 M159 H160S105-L121 PolarHBondContact O-N 3.34Å; S105-L121 WeakPolarHBondContact OG-CB 3.26Å; Q107-L121 HydrophobicContact CB-CD1 4.45Å; L121-Y156 HydrophobicContact CD2-CD1 4.04Å; L121-M159 HydrophobicContact CD1-CG 4.24Å; L121-M159 HydrophobicContact CD1-SD 4.03Å; L121-M159 HydrophobicContact CD2-SD 4.19Å; L121-H160 HydrophobicContact CB-CB 4.21Å
122E88.8Confident95.1Very high70 Ų7060.3 Ų60.333%0.32734%0.335SS..THydrogen-bonded Turntrans-87.8-46.2174.2-65.8178.9164.100111.8T103 R104 N120 H160T103-E122 WeakPolarHBondContact CB-OE1 3.31Å; T103-E122 PolarHBondContact OG1-OE1 3.47Å; R104-E122 WeakPolarHBondContact CA-OE1 3.14Å; R104-E122 PolarHBondContact N-OE1 2.89Å; R104-E122 VanDerWaalsContact N-OE1 3.14Å; N120-E122 VanDerWaalsContact C-N 3.27Å; N120-E122 PolarHBondContact O-N 2.86Å; N120-E122 WeakPolarHBondContact OD1-CA 3.43Å; N120-E122 WeakPolarHBondContact OD1-CB 3.48Å; N120-E122 PolarHBondContact OD1-N 3.07Å; E122-H160 WeakPolarHBondContact CG-NE2 3.31Å; E122-H160 IonicContact OE1-NE2 3.16Å
123T91.6Very high95Very high70 Ų7062.5 Ų62.543%0.42934%0.339SS..THydrogen-bonded Turntrans-89-9.7179.567.40000113N120 E125N120-T123 WeakPolarHBondContact CB-OG1 3.43Å; N120-T123 PolarHBondContact OD1-N 3.35Å; N120-T123 VanDerWaalsContact OD1-N 3.11Å; T123-E125 PolarHBondContact O-N 3.09Å; T123-E125 WeakPolarHBondContact OG1-CB 3.47Å; T123-E125 WeakPolarHBondContact OG1-CG 3.01Å; T123-E125 PolarHBondContact OG1-N 3.12Å; T123-E125 PolarHBondContact OG1-OE2 3.14Å; T123-E125 VanDerWaalsContact OG1-OE2 3.11Å
124E90.3Very high94.9Very high43 Ų4360 Ų6020%0.20131%0.312CS..  trans61.310.3-170.5-50.5178.9166.400114.4N120 K153 H157N120-E124 CarbonylContact O-C 3.47Å; N120-E124 WeakPolarHBondContact O-CA 3.32Å; N120-E124 PolarHBondContact O-N 2.92Å; E124-K153 WeakPolarHBondContact OE2-CD 3.04Å; E124-K153 VanDerWaalsContact OE2-CE 3.29Å; E124-K153 WeakPolarHBondContact OE2-CE 3.19Å; E124-K153 IonicContact OE2-NZ 2.71Å; E124-K153 PolarHBondContact OE2-NZ 3.05Å; E124-H157 IonicContact OE1-CD2 3.72Å; E124-H157 IonicContact OE1-CE1 2.72Å; E124-H157 PolarHBondContact OE1-CE1 2.8Å; E124-H157 IonicContact OE1-ND1 3.2Å; E124-H157 IonicContact OE1-NE2 2.63Å; E124-H157 PolarHBondContact OE1-NE2 2.85Å; E124-H157 VanDerWaalsContact OE1-NE2 3.16Å
125E94.3Very high94.9Very high128 Ų12857.5 Ų57.560%0.59830%0.301SS*.  trans-79.5131-174.8-68174151.800111.8Q119 N120 T123Q119-E125 WeakPolarHBondContact CA-O 3.26Å; N120-E125 PolarHBondContact N-O 3.35Å; N120-E125 PolarHBondContact O-N 3.39Å; T123-E125 PolarHBondContact O-N 3.09Å; T123-E125 WeakPolarHBondContact OG1-CB 3.47Å; T123-E125 WeakPolarHBondContact OG1-CG 3.01Å; T123-E125 PolarHBondContact OG1-N 3.12Å; T123-E125 PolarHBondContact OG1-OE2 3.14Å; T123-E125 VanDerWaalsContact OG1-OE2 3.11Å
126W96.3Very high94.6Very high47 Ų4759.1 Ų59.118%0.17831%0.314CS..EExtended strand (participates in β ladder)trans-94.1133.4176.1-67.482.5000110.5F109 L117 S118 Q119 L145 Y156F109-W126 HydrophobicContact CE2-CZ3 4.33Å; L117-W126 HydrophobicContact CD1-CD2 4.45Å; L117-W126 HydrophobicContact CD1-CE3 3.48Å; L117-W126 VanDerWaalsContact CD1-CE3 3.48Å; L117-W126 HydrophobicContact CD1-CZ3 4.06Å; L117-W126 HydrophobicContact CD2-CE3 3.85Å; L117-W126 HydrophobicContact CD2-CZ3 3.53Å; L117-W126 HydrophobicContact CG-CE3 3.64Å; L117-W126 HydrophobicContact CG-CZ3 3.67Å; S118-W126 CarbonylContact O-C 3.57Å; S118-W126 WeakPolarHBondContact O-CA 3.43Å; Q119-W126 HydrophobicContact CB-CD2 3.98Å; Q119-W126 HydrophobicContact CB-CE3 3.72Å; Q119-W126 HydrophobicContact CB-CH2 4.13Å; Q119-W126 HydrophobicContact CB-CZ2 4.33Å; Q119-W126 HydrophobicContact CB-CZ3 3.81Å; Q119-W126 VanDerWaalsContact CD-CE2 3.43Å; Q119-W126 HydrophobicContact CG-CD2 3.82Å; Q119-W126 HydrophobicContact CG-CE3 4.11Å; Q119-W126 HydrophobicContact CG-CG 4.22Å; Q119-W126 HydrophobicContact CG-CH2 4.36Å; Q119-W126 HydrophobicContact CG-CZ2 4.05Å; Q119-W126 HydrophobicContact CG-CZ3 4.37Å; Q119-W126 VanDerWaalsContact OE1-CZ2 3.29Å; W126-L145 HydrophobicContact CH2-CD1 4.1Å; W126-Y156 HydrophobicContact CH2-CE1 4.2Å; W126-Y156 HydrophobicContact CZ2-CE1 4.01Å; W126-Y156 HydrophobicContact CZ2-CE2 4.32Å; W126-Y156 AromaticContact CZ2-CZ 3.73Å
127T97.2Very high94.5Very high87 Ų8759.7 Ų59.753%0.53432%0.317SS..EExtended strand (participates in β ladder)trans-122143.7175-57.10000109.4S118S118-T127 PolarHBondContact N-O 3.2Å; S118-T127 PolarHBondContact O-N 2.93Å; S118-T127 PolarHBondContact OG-O 3.45Å
128M96.1Very high94.4Very high70 Ų7059.8 Ų59.835%0.34532%0.317SS..  trans-140.3142.8177.161-163.1132.200109.9Q135 A138M128-Q135 HydrophobicContact CG-CG 4.38Å; M128-Q135 HydrophobicContact SD-CG 4.23Å; M128-A138 HydrophobicContact CB-CB 4.08Å; M128-A138 HydrophobicContact SD-CB 4.08Å
129P96.3Very high94.2Very high42 Ų4264.5 Ų64.527%0.27334%0.339SS..  trans-61152176.2-26.337.7000113.2L115 F116 S131 A134L115-P129 HydrophobicContact CD2-CG 4.46Å; L115-P129 HydrophobicContact CG-CG 4.3Å; L115-P129 WeakPolarHBondContact O-CG 2.9Å; F116-P129 VanDerWaalsContact O-CD 3.26Å; F116-P129 WeakPolarHBondContact O-CD 3.39Å; P129-S131 PolarHBondContact O-N 3.45Å; P129-A134 HydrophobicContact CB-CB 4.14Å; P129-A134 HydrophobicContact CG-CB 4.41Å
130Q93.3Very high94Very high174 Ų17466.1 Ų66.181%0.81335%0.348SS*.SBendtrans-79.252.3178.4-61-60.4-3800112
131S95.4Very high94Very high49 Ų4963.4 Ų63.434%0.34333%0.333SS..  trans-121.1136175163.20000108.9P129 R133 A134 Q135P129-S131 PolarHBondContact O-N 3.45Å; S131-R133 VanDerWaalsContact C-N 3.27Å; S131-R133 PolarHBondContact O-N 3.27Å; S131-R133 PolarHBondContact OG-N 3.45Å; S131-A134 PolarHBondContact O-N 3.19Å; S131-Q135 WeakPolarHBondContact O-CB 3.46Å; S131-Q135 WeakPolarHBondContact O-CG 3.1Å; S131-Q135 PolarHBondContact O-N 3.34Å
132S92.8Very high94Very high96 Ų9668.4 Ų68.467%0.67135%0.352SS*.Hα-helixtrans-59-39.6178.754.70000112.2T136S132-T136 PolarHBondContact O-N 3.49Å; S132-T136 VanDerWaalsContact O-N 3.12Å; S132-T136 PolarHBondContact O-OG1 2.77Å
133R91.9Very high94.2Very high103 Ų10369 Ų6939%0.38936%0.357SS..Hα-helixtrans-63.2-49.7174.4-172.9-178.9-171.9-168.91.4111.1D81 S131 Q135 T136 L137D81-R133 IonicContact OD2-CZ 3.06Å; D81-R133 IonicContact OD2-NE 4Å; D81-R133 IonicContact OD2-NH2 3.89Å; D81-R133 PolarHBondContact OD2-NH2 3.38Å; S131-R133 VanDerWaalsContact C-N 3.27Å; S131-R133 PolarHBondContact O-N 3.27Å; S131-R133 PolarHBondContact OG-N 3.45Å; R133-Q135 PolarHBondContact O-N 3.35Å; R133-T136 PolarHBondContact O-N 2.99Å; R133-L137 HydrophobicContact CG-CD1 4.24Å; R133-L137 PolarHBondContact O-N 2.87Å
134A94.3Very high94.3Very high8 Ų866.6 Ų66.67%0.06634%0.341CS..Hα-helixtrans-61.8-43.5-178.900000112F116 P129 S131 T136 L137 A138F116-A134 HydrophobicContact CB-CB 3.97Å; P129-A134 HydrophobicContact CB-CB 4.14Å; P129-A134 HydrophobicContact CG-CB 4.41Å; S131-A134 PolarHBondContact O-N 3.19Å; A134-T136 VanDerWaalsContact C-N 3.35Å; A134-T136 PolarHBondContact O-N 2.9Å; A134-L137 PolarHBondContact O-N 3.43Å; A134-A138 WeakPolarHBondContact O-CB 3.2Å; A134-A138 PolarHBondContact O-N 3.3Å
135Q95Very high94.5Very high67 Ų6765.1 Ų65.131%0.31333%0.334SS..Hα-helixtrans-62.7-40.3177.4-72.2172.90.700112.1M128 S131 R133 A138 M139M128-Q135 HydrophobicContact CG-CG 4.38Å; M128-Q135 HydrophobicContact SD-CG 4.23Å; S131-Q135 WeakPolarHBondContact O-CB 3.46Å; S131-Q135 WeakPolarHBondContact O-CG 3.1Å; S131-Q135 PolarHBondContact O-N 3.34Å; R133-Q135 PolarHBondContact O-N 3.35Å; Q135-A138 PolarHBondContact O-N 3.04Å; Q135-M139 WeakPolarHBondContact O-CB 3.45Å; Q135-M139 VanDerWaalsContact O-CG 3.27Å; Q135-M139 WeakPolarHBondContact O-CG 3.42Å; Q135-M139 PolarHBondContact O-N 2.92Å
136T93.6Very high94.3Very high98 Ų9866 Ų6660%0.60134%0.336SS*.Hα-helixtrans-64-47.4177.4-57.30000111.3S132 R133 A134 N140S132-T136 PolarHBondContact O-N 3.49Å; S132-T136 VanDerWaalsContact O-N 3.12Å; S132-T136 PolarHBondContact O-OG1 2.77Å; R133-T136 PolarHBondContact O-N 2.99Å; A134-T136 VanDerWaalsContact C-N 3.35Å; A134-T136 PolarHBondContact O-N 2.9Å; T136-N140 WeakPolarHBondContact O-CB 3.42Å; T136-N140 PolarHBondContact O-N 3.03Å; T136-N140 VanDerWaalsContact O-N 3.08Å
137L95Very high94.1Very high15 Ų1569.6 Ų69.68%0.07936%0.355CS..Hα-helixtrans-62-45.4175.6-71.5169.7000111.5I79 Y111 F116 R133 A134 M139 N140 V141I79-L137 HydrophobicContact CG2-CD2 3.7Å; Y111-L137 HydrophobicContact CD1-CD1 3.8Å; Y111-L137 HydrophobicContact CD1-CD2 4.31Å; Y111-L137 HydrophobicContact CG-CD1 4.18Å; F116-L137 HydrophobicContact CB-CB 4.28Å; F116-L137 HydrophobicContact CB-CD1 4.4Å; F116-L137 HydrophobicContact CD2-CB 3.61Å; F116-L137 HydrophobicContact CE2-CB 4.07Å; F116-L137 HydrophobicContact CG-CB 3.95Å; F116-L137 HydrophobicContact CG-CD1 4.38Å; R133-L137 HydrophobicContact CG-CD1 4.24Å; R133-L137 PolarHBondContact O-N 2.87Å; A134-L137 PolarHBondContact O-N 3.43Å; L137-M139 PolarHBondContact O-N 3.05Å; L137-N140 PolarHBondContact O-N 3.4Å; L137-V141 WeakPolarHBondContact O-CG2 3.33Å; L137-V141 PolarHBondContact O-N 2.96Å
138A95.4Very high93.8Very high2 Ų270.2 Ų70.22%0.01736%0.355CS..Hα-helixtrans-58.5-48179.100000111.9F116 L117 M128 A134 Q135 R142F116-A138 HydrophobicContact CD2-CB 4.23Å; L117-A138 HydrophobicContact CB-CB 4.25Å; L117-A138 HydrophobicContact CD1-CB 3.99Å; M128-A138 HydrophobicContact CB-CB 4.08Å; M128-A138 HydrophobicContact SD-CB 4.08Å; A134-A138 WeakPolarHBondContact O-CB 3.2Å; A134-A138 PolarHBondContact O-N 3.3Å; Q135-A138 PolarHBondContact O-N 3.04Å; A138-R142 WeakPolarHBondContact O-CB 3.41Å; A138-R142 PolarHBondContact O-N 2.91Å
139M93.8Very high93.3Very high119 Ų11968.5 Ų68.559%0.58635%0.352SS*.Hα-helixtrans-63.7-42.8178.1-72.3173.765.200111.7Q135 L137 R142 N143Q135-M139 WeakPolarHBondContact O-CB 3.45Å; Q135-M139 VanDerWaalsContact O-CG 3.27Å; Q135-M139 WeakPolarHBondContact O-CG 3.42Å; Q135-M139 PolarHBondContact O-N 2.92Å; L137-M139 PolarHBondContact O-N 3.05Å; M139-R142 PolarHBondContact O-N 3.23Å; M139-N143 WeakPolarHBondContact O-CB 3.49Å; M139-N143 PolarHBondContact O-N 3.26Å; M139-N143 PolarHBondContact O-ND2 3.45Å
140N93.4Very high93Very high38 Ų3872.8 Ų72.820%0.20337%0.37CS..Hα-helixtrans-61.8-50.6178.7178.9-124.8000111.8H78 T136 L137 N143 F144H78-N140 PolarHBondContact CD2-ND2 3.23Å; H78-N140 PolarHBondContact NE2-ND2 3.17Å; H78-N140 VanDerWaalsContact NE2-ND2 3.12Å; H78-N140 PolarHBondContact O-OD1 2.83Å; T136-N140 WeakPolarHBondContact O-CB 3.42Å; T136-N140 PolarHBondContact O-N 3.03Å; T136-N140 VanDerWaalsContact O-N 3.08Å; L137-N140 PolarHBondContact O-N 3.4Å; N140-N143 PolarHBondContact O-N 2.89Å; N140-F144 WeakPolarHBondContact O-CB 3.36Å; N140-F144 PolarHBondContact O-N 3.31Å
141V94.6Very high92.8Very high1 Ų166.4 Ų66.41%0.00634%0.339CS..Hα-helixtrans-65-42.8178.7170.60000111.3T75 I79 F116 L117 L137 N143 F144 L145T75-V141 HydrophobicContact CG2-CB 4.5Å; T75-V141 HydrophobicContact CG2-CG1 3.8Å; T75-V141 HydrophobicContact CG2-CG2 4.06Å; I79-V141 HydrophobicContact CD1-CG2 3.99Å; I79-V141 HydrophobicContact CG1-CG2 4Å; F116-V141 HydrophobicContact CE2-CB 4.13Å; F116-V141 HydrophobicContact CE2-CG2 3.87Å; F116-V141 HydrophobicContact CZ-CG2 3.96Å; L117-V141 HydrophobicContact CD2-CG1 4.25Å; L137-V141 WeakPolarHBondContact O-CG2 3.33Å; L137-V141 PolarHBondContact O-N 2.96Å; V141-N143 VanDerWaalsContact C-N 3.35Å; V141-N143 PolarHBondContact O-N 3.42Å; V141-F144 PolarHBondContact O-N 3.5Å; V141-L145 HydrophobicContact CG1-CD1 3.89Å; V141-L145 HydrophobicContact CG1-CG 4.16Å; V141-L145 WeakPolarHBondContact O-CB 3.29Å; V141-L145 VanDerWaalsContact O-CG 3.26Å; V141-L145 WeakPolarHBondContact O-CG 3.09Å; V141-L145 PolarHBondContact O-N 3.18Å
142R94.4Very high92.6Very high110 Ų11067.9 Ų67.942%0.41535%0.346SS..Hα-helixtrans-65.2-37.9-179.1-170.1174.7176.9-176.2-1112.5A138 M139 K146A138-R142 WeakPolarHBondContact O-CB 3.41Å; A138-R142 PolarHBondContact O-N 2.91Å; M139-R142 PolarHBondContact O-N 3.23Å; R142-K146 WeakPolarHBondContact O-CB 3.4Å; R142-K146 PolarHBondContact O-N 3.19Å; R142-K146 VanDerWaalsContact O-N 3.16Å
143N93.4Very high92.4Very high81 Ų8169.8 Ų69.843%0.43334%0.343SS..Hα-helixtrans-66.6-46.8174.3-71.6-11000111M139 N140 V141 L145 K146 E147M139-N143 WeakPolarHBondContact O-CB 3.49Å; M139-N143 PolarHBondContact O-N 3.26Å; M139-N143 PolarHBondContact O-ND2 3.45Å; N140-N143 PolarHBondContact O-N 2.89Å; V141-N143 VanDerWaalsContact C-N 3.35Å; V141-N143 PolarHBondContact O-N 3.42Å; N143-L145 VanDerWaalsContact C-N 3.33Å; N143-L145 PolarHBondContact O-N 3.01Å; N143-K146 PolarHBondContact O-N 3Å; N143-E147 WeakPolarHBondContact O-CB 3.44Å; N143-E147 PolarHBondContact O-N 2.93Å
144F93.9Very high92.3Very high20 Ų2070 Ų709%0.08836%0.355CS..Hα-helixtrans-56-46.1174.5171.8-98.5000112.3M74 T75 H78 N140 V141 K146 D148 A149M74-F144 HydrophobicContact CB-CZ 4.11Å; T75-F144 HydrophobicContact CG2-CD1 4.27Å; T75-F144 HydrophobicContact CG2-CE1 4.46Å; T75-F144 WeakPolarHBondContact OG1-CE1 3.4Å; H78-F144 HydrophobicContact CB-CD2 3.71Å; H78-F144 HydrophobicContact CB-CE2 4.04Å; H78-F144 HydrophobicContact CB-CG 4.05Å; H78-F144 AromaticContact CD2-CD2 4Å; H78-F144 AromaticContact CG-CD2 3.44Å; H78-F144 VanDerWaalsContact CG-CD2 3.44Å; H78-F144 AromaticContact CG-CG 3.87Å; H78-F144 AromaticContact ND1-CD2 3.48Å; H78-F144 WeakPolarHBondContact ND1-CD2 3.42Å; N140-F144 WeakPolarHBondContact O-CB 3.36Å; N140-F144 PolarHBondContact O-N 3.31Å; V141-F144 PolarHBondContact O-N 3.5Å; F144-K146 PolarHBondContact O-N 2.74Å; F144-D148 HydrophobicContact CD2-CB 3.47Å; F144-D148 VanDerWaalsContact CD2-CB 3.47Å; F144-D148 HydrophobicContact CE2-CB 3.51Å; F144-D148 HydrophobicContact CG-CB 4.33Å; F144-D148 HydrophobicContact CZ-CB 4.4Å; F144-D148 PolarHBondContact O-N 2.9Å; F144-A149 HydrophobicContact CE1-CB 4.07Å; F144-A149 HydrophobicContact CZ-CB 4.4Å; F144-A149 PolarHBondContact O-N 3.14Å
145L93.4Very high92.2Very high13 Ų1372.4 Ų72.47%0.06837%0.365CS..Hα-helixtrans-60.3-35.6178.4-71.7174.8000111.8F109 W126 V141 N143 M150 K151F109-L145 HydrophobicContact CZ-CD1 4.44Å; W126-L145 HydrophobicContact CH2-CD1 4.1Å; V141-L145 HydrophobicContact CG1-CD1 3.89Å; V141-L145 HydrophobicContact CG1-CG 4.16Å; V141-L145 WeakPolarHBondContact O-CB 3.29Å; V141-L145 VanDerWaalsContact O-CG 3.26Å; V141-L145 WeakPolarHBondContact O-CG 3.09Å; V141-L145 PolarHBondContact O-N 3.18Å; N143-L145 VanDerWaalsContact C-N 3.33Å; N143-L145 PolarHBondContact O-N 3.01Å; L145-M150 PolarHBondContact O-N 2.86Å; L145-K151 HydrophobicContact CB-CG 4.42Å; L145-K151 HydrophobicContact CD2-CG 4.15Å; L145-K151 VanDerWaalsContact O-CB 3.27Å; L145-K151 WeakPolarHBondContact O-CB 3.32Å; L145-K151 WeakPolarHBondContact O-CG 3.29Å; L145-K151 PolarHBondContact O-N 3.07Å
146K91.7Very high92Very high145 Ų14570.2 Ų70.263%0.6335%0.354SS*.Hα-helixtrans-79.8-44.8-178.5-174.9-175.7175.5-166.70113R142 N143 F144R142-K146 WeakPolarHBondContact O-CB 3.4Å; R142-K146 PolarHBondContact O-N 3.19Å; R142-K146 VanDerWaalsContact O-N 3.16Å; N143-K146 PolarHBondContact O-N 3Å; F144-K146 PolarHBondContact O-N 2.74Å
147E91.5Very high91.9Very high124 Ų12470.1 Ų70.158%0.57935%0.347SS*.Hα-helixtrans-98.3-46.8-166.6-64.4179.9-179.200112.6N143N143-E147 WeakPolarHBondContact O-CB 3.44Å; N143-E147 PolarHBondContact O-N 2.93Å
148D91Very high91.8Very high99 Ų9971.4 Ų71.453%0.52936%0.36SS..THydrogen-bonded Turntrans-89.4-48.1-177.1-60.4-104.8000111.5F144 M150F144-D148 HydrophobicContact CD2-CB 3.47Å; F144-D148 VanDerWaalsContact CD2-CB 3.47Å; F144-D148 HydrophobicContact CE2-CB 3.51Å; F144-D148 HydrophobicContact CG-CB 4.33Å; F144-D148 HydrophobicContact CZ-CB 4.4Å; F144-D148 PolarHBondContact O-N 2.9Å; D148-M150 VanDerWaalsContact C-N 3.29Å
149A86.3Confident91.7Very high34 Ų3472.2 Ų72.228%0.28136%0.363SS..SBendtrans-84.1-6.6-179.800000113.1F144 K151F144-A149 HydrophobicContact CE1-CB 4.07Å; F144-A149 HydrophobicContact CZ-CB 4.4Å; F144-A149 PolarHBondContact O-N 3.14Å; A149-K151 HydrophobicContact CB-CD 4.44Å; A149-K151 HydrophobicContact CB-CG 3.98Å; A149-K151 PolarHBondContact O-N 3.32Å; A149-K151 VanDerWaalsContact O-N 3.11Å
150M89.9Confident91.6Very high133 Ų13368.2 Ų68.266%0.65534%0.343SS*.  trans51.535.4174.7-62.7-66.1-71.600113.9L145 D148 T152L145-M150 PolarHBondContact O-N 2.86Å; D148-M150 VanDerWaalsContact C-N 3.29Å; M150-T152 PolarHBondContact O-N 2.62Å
151K88.8Confident91.6Very high40 Ų4068.6 Ų68.617%0.17435%0.352CS..  trans-75.4106.8-179.3-56.3-60.7-166.9162.80109.9D71 L145 A149 H155 Y156D71-K151 IonicContact OD2-NZ 3.1Å; D71-K151 PolarHBondContact OD2-NZ 3.3Å; L145-K151 HydrophobicContact CB-CG 4.42Å; L145-K151 HydrophobicContact CD2-CG 4.15Å; L145-K151 VanDerWaalsContact O-CB 3.27Å; L145-K151 WeakPolarHBondContact O-CB 3.32Å; L145-K151 WeakPolarHBondContact O-CG 3.29Å; L145-K151 PolarHBondContact O-N 3.07Å; A149-K151 HydrophobicContact CB-CD 4.44Å; A149-K151 HydrophobicContact CB-CG 3.98Å; A149-K151 PolarHBondContact O-N 3.32Å; A149-K151 VanDerWaalsContact O-N 3.11Å; K151-H155 PolarHBondContact NZ-CE1 3.15Å; K151-H155 PolarHBondContact NZ-NE2 2.97Å; K151-Y156 HydrophobicContact CB-CE2 4.12Å
152T90.4Very high91.6Very high80 Ų8073 Ų7349%0.49138%0.375SS..  trans-89.1172.6179.3650000112M150 T154 H155 Y156M150-T152 PolarHBondContact O-N 2.62Å; T152-T154 PolarHBondContact O-N 3.4Å; T152-T154 PolarHBondContact OG1-N 3.34Å; T152-H155 VanDerWaalsContact O-CB 3.27Å; T152-H155 WeakPolarHBondContact O-CB 3.24Å; T152-H155 PolarHBondContact O-N 3.35Å; T152-Y156 VanDerWaalsContact O-CD2 3.23Å; T152-Y156 WeakPolarHBondContact O-CD2 3.34Å; T152-Y156 PolarHBondContact O-N 2.93Å
153K88.2Confident91.6Very high136 Ų13668.1 Ų68.159%0.59136%0.358SS*.Hα-helixtrans-53.2-40.4171.1-67.9-173.8171.2-129.30112.7E124 H155 Y156 H157E124-K153 WeakPolarHBondContact OE2-CD 3.04Å; E124-K153 VanDerWaalsContact OE2-CE 3.29Å; E124-K153 WeakPolarHBondContact OE2-CE 3.19Å; E124-K153 IonicContact OE2-NZ 2.71Å; E124-K153 PolarHBondContact OE2-NZ 3.05Å; K153-H155 PolarHBondContact O-N 3.33Å; K153-Y156 PolarHBondContact O-N 3.13Å; K153-Y156 VanDerWaalsContact O-N 3.12Å; K153-H157 PolarHBondContact O-N 2.93Å
154T90Very high91.7Very high106 Ų10664.7 Ų64.765%0.6534%0.339SS*.Hα-helixtrans-58.7-34.3176.9-48.20000112.3T152 A158T152-T154 PolarHBondContact O-N 3.4Å; T152-T154 PolarHBondContact OG1-N 3.34Å; T154-A158 WeakPolarHBondContact O-CB 3.3Å; T154-A158 PolarHBondContact O-N 3.19Å
155H91.4Very high91.8Very high60 Ų6069.6 Ų69.628%0.27836%0.362SS..Hα-helixtrans-63.4-46.3175.8-179.973.9000111.8K151 T152 K153 A158 M159K151-H155 PolarHBondContact NZ-CE1 3.15Å; K151-H155 PolarHBondContact NZ-NE2 2.97Å; T152-H155 VanDerWaalsContact O-CB 3.27Å; T152-H155 WeakPolarHBondContact O-CB 3.24Å; T152-H155 PolarHBondContact O-N 3.35Å; K153-H155 PolarHBondContact O-N 3.33Å; H155-A158 PolarHBondContact O-N 3.4Å; H155-M159 WeakPolarHBondContact NE2-CE 3.18Å; H155-M159 WeakPolarHBondContact O-CB 3.44Å; H155-M159 PolarHBondContact O-N 2.93Å
156Y92.4Very high91.8Very high20 Ų2069.9 Ų69.98%0.07836%0.363CS..Hα-helixtrans-70.2-36.3-179.5-60.2-70.3000112.2Q119 L121 W126 K151 T152 K153 M159 H160Q119-Y156 VanDerWaalsContact OE1-CE1 3.29Å; L121-Y156 HydrophobicContact CD2-CD1 4.04Å; W126-Y156 HydrophobicContact CH2-CE1 4.2Å; W126-Y156 HydrophobicContact CZ2-CE1 4.01Å; W126-Y156 HydrophobicContact CZ2-CE2 4.32Å; W126-Y156 AromaticContact CZ2-CZ 3.73Å; K151-Y156 HydrophobicContact CB-CE2 4.12Å; T152-Y156 VanDerWaalsContact O-CD2 3.23Å; T152-Y156 WeakPolarHBondContact O-CD2 3.34Å; T152-Y156 PolarHBondContact O-N 2.93Å; K153-Y156 PolarHBondContact O-N 3.13Å; K153-Y156 VanDerWaalsContact O-N 3.12Å; Y156-M159 WeakPolarHBondContact O-CB 3.22Å; Y156-M159 PolarHBondContact O-N 3.49Å; Y156-H160 WeakPolarHBondContact O-CB 3.3Å; Y156-H160 PolarHBondContact O-N 2.84Å
157H90.9Very high92Very high96 Ų9663 Ų6344%0.44433%0.333SS..Hα-helixtrans-62.8-40.6170.3-76151.3000113.1E124 K153 H160 A161E124-H157 IonicContact OE1-CD2 3.72Å; E124-H157 IonicContact OE1-CE1 2.72Å; E124-H157 PolarHBondContact OE1-CE1 2.8Å; E124-H157 IonicContact OE1-ND1 3.2Å; E124-H157 IonicContact OE1-NE2 2.63Å; E124-H157 PolarHBondContact OE1-NE2 2.85Å; E124-H157 VanDerWaalsContact OE1-NE2 3.16Å; K153-H157 PolarHBondContact O-N 2.93Å; H157-H160 WeakPolarHBondContact O-CB 3.35Å; H157-H160 PolarHBondContact O-N 2.82Å; H157-A161 WeakPolarHBondContact O-CB 3.34Å; H157-A161 PolarHBondContact O-N 2.79Å
158A92.6Very high92.1Very high43 Ų4364 Ų6436%0.35533%0.332SS..Hα-helixtrans-63.7-45.5174.100000110.6T154 H155 H160 A161 D162T154-A158 WeakPolarHBondContact O-CB 3.3Å; T154-A158 PolarHBondContact O-N 3.19Å; H155-A158 PolarHBondContact O-N 3.4Å; A158-H160 VanDerWaalsContact C-N 3.33Å; A158-H160 PolarHBondContact O-N 2.82Å; A158-A161 PolarHBondContact O-N 3.34Å; A158-A161 VanDerWaalsContact O-N 3.12Å; A158-D162 WeakPolarHBondContact O-CB 3.28Å; A158-D162 PolarHBondContact O-N 2.87Å
159M92.9Very high92.2Very high19 Ų1962.1 Ų62.19%0.09432%0.317CS..Hα-helixtrans-58-43.3176.7-175.3-174.1-65.500112.7R93 L121 H155 Y156 C163R93-M159 WeakPolarHBondContact CD-SD 3.36Å; R93-M159 HydrophobicContact CG-SD 4.19Å; L121-M159 HydrophobicContact CD1-CG 4.24Å; L121-M159 HydrophobicContact CD1-SD 4.03Å; L121-M159 HydrophobicContact CD2-SD 4.19Å; H155-M159 WeakPolarHBondContact NE2-CE 3.18Å; H155-M159 WeakPolarHBondContact O-CB 3.44Å; H155-M159 PolarHBondContact O-N 2.93Å; Y156-M159 WeakPolarHBondContact O-CB 3.22Å; Y156-M159 PolarHBondContact O-N 3.49Å; M159-C163 PolarHBondContact O-N 2.04Å
160H92.8Very high92.4Very high35 Ų3560.5 Ų60.516%0.16230%0.304CS..Hα-helixtrans-57.2-53.4172.3171.3-79.4000111.2S105 L121 E122 Y156 H157 A158 L164S105-H160 PolarHBondContact OG-CD2 2.89Å; L121-H160 HydrophobicContact CB-CB 4.21Å; E122-H160 WeakPolarHBondContact CG-NE2 3.31Å; E122-H160 IonicContact OE1-NE2 3.16Å; Y156-H160 WeakPolarHBondContact O-CB 3.3Å; Y156-H160 PolarHBondContact O-N 2.84Å; H157-H160 WeakPolarHBondContact O-CB 3.35Å; H157-H160 PolarHBondContact O-N 2.82Å; A158-H160 VanDerWaalsContact C-N 3.33Å; A158-H160 PolarHBondContact O-N 2.82Å; H160-L164 WeakPolarHBondContact CE1-CD1 3.27Å; H160-L164 PolarHBondContact O-N 3.22Å
161A94Very high92.3Very high46 Ų4656.1 Ų56.138%0.3828%0.283SS..Hα-helixtrans-63.7-43.5-177.400000112.5H157 A158 L164 Q165H157-A161 WeakPolarHBondContact O-CB 3.34Å; H157-A161 PolarHBondContact O-N 2.79Å; A158-A161 PolarHBondContact O-N 3.34Å; A158-A161 VanDerWaalsContact O-N 3.12Å; A161-L164 PolarHBondContact O-N 2.69Å; A161-Q165 VanDerWaalsContact O-CB 3.25Å; A161-Q165 WeakPolarHBondContact O-CB 3.25Å; A161-Q165 PolarHBondContact O-N 3.45Å
162D93.8Very high92.4Very high93 Ų9363.3 Ų63.350%0.49731%0.314SS..Hα-helixtrans-61.2-46.6-179.2-70.3-19.5000110.8A158 L164 Q165 E166A158-D162 WeakPolarHBondContact O-CB 3.28Å; A158-D162 PolarHBondContact O-N 2.87Å; D162-L164 PolarHBondContact O-N 3.24Å; D162-Q165 PolarHBondContact O-N 3.01Å; D162-E166 WeakPolarHBondContact O-CG 3.5Å; D162-E166 PolarHBondContact O-N 2.74Å
163C94.9Very high92.2Very high8 Ų861.6 Ų61.65%0.05431%0.306CS..Hα-helixtrans-60.2-48.5178.4-170.30000111.5C95 M159 Q165 E166 L167C95-C163 HydrophobicContact CB-CB 3.75Å; C95-C163 WeakPolarHBondContact CB-SG 3.37Å; C95-C163 WeakPolarHBondContact SG-CB 3.26Å; C95-C163 PolarHBondContact SG-O 2.53Å; C95-C163 CovalentContact SG-SG 2.04Å; C95-C163 PolarHBondContact SG-SG 2.88Å; M159-C163 PolarHBondContact O-N 2.04Å; C163-Q165 VanDerWaalsContact C-N 3.34Å; C163-Q165 PolarHBondContact O-N 2.95Å; C163-E166 PolarHBondContact O-N 2.89Å; C163-L167 WeakPolarHBondContact O-CB 3.36Å; C163-L167 PolarHBondContact O-N 3.22Å
164L95.8Very high91.9Very high8 Ų856 Ų564%0.04229%0.287CS..Hα-helixtrans-66.3-36.6179.7-71.4171.9000112.4C95 I97 T103 H160 A161 D162 L167 R168C95-L164 HydrophobicContact CB-CD2 3.87Å; C95-L164 HydrophobicContact CB-CG 4.17Å; I97-L164 HydrophobicContact CD1-CD2 4.43Å; I97-L164 HydrophobicContact CG1-CD2 3.95Å; T103-L164 HydrophobicContact CG2-CD1 3.85Å; T103-L164 HydrophobicContact CG2-CD2 3.82Å; H160-L164 WeakPolarHBondContact CE1-CD1 3.27Å; H160-L164 PolarHBondContact O-N 3.22Å; A161-L164 PolarHBondContact O-N 2.69Å; D162-L164 PolarHBondContact O-N 3.24Å; L164-L167 PolarHBondContact O-N 2.72Å; L164-R168 WeakPolarHBondContact O-CB 3.47Å; L164-R168 VanDerWaalsContact O-CG 3.26Å; L164-R168 WeakPolarHBondContact O-CG 3.2Å; L164-R168 PolarHBondContact O-N 2.9Å
165Q95.1Very high91.6Very high123 Ų12351 Ų5158%0.57526%0.256SS*.Hα-helixtrans-63.9-44.3175.9179.4173.9-11.500111.1A161 D162 C163 R169A161-Q165 VanDerWaalsContact O-CB 3.25Å; A161-Q165 WeakPolarHBondContact O-CB 3.25Å; A161-Q165 PolarHBondContact O-N 3.45Å; D162-Q165 PolarHBondContact O-N 3.01Å; C163-Q165 VanDerWaalsContact C-N 3.34Å; C163-Q165 PolarHBondContact O-N 2.95Å; Q165-R169 WeakPolarHBondContact O-CB 3.41Å; Q165-R169 PolarHBondContact O-N 3.16Å
166E93.5Very high90.8Very high19 Ų1949 Ų499%0.08925%0.248CC..Hα-helixtrans-65.3-44.1176.1-69.9-58.115300111.5L4 R60 D162 C163 R168 R169 Y170L4-E166 HydrophobicContact CD2-CB 3.8Å; R60-E166 IonicContact CZ-OE1 3.97Å; R60-E166 IonicContact NE-OE1 3.87Å; R60-E166 PolarHBondContact NE-OE1 3.42Å; R60-E166 VanDerWaalsContact NH2-CD 3.33Å; R60-E166 IonicContact NH2-OE1 3.5Å; R60-E166 PolarHBondContact NH2-OE1 3.45Å; R60-E166 IonicContact NH2-OE2 2.74Å; R60-E166 PolarHBondContact NH2-OE2 3.11Å; D162-E166 WeakPolarHBondContact O-CG 3.5Å; D162-E166 PolarHBondContact O-N 2.74Å; C163-E166 PolarHBondContact O-N 2.89Å; E166-R168 PolarHBondContact O-N 3.01Å; E166-R169 WeakPolarHBondContact O-CB 3.41Å; E166-R169 PolarHBondContact O-N 3Å; E166-R169 VanDerWaalsContact O-N 3.16Å; E166-R169 IonicContact OE2-CZ 3.9Å; E166-R169 IonicContact OE2-NE 3.79Å; E166-R169 PolarHBondContact OE2-NE 2.95Å; E166-R169 IonicContact OE2-NH2 3.34Å; E166-R169 PolarHBondContact OE2-NH2 3.18Å; E166-Y170 HydrophobicContact CB-CE2 4.12Å; E166-Y170 WeakPolarHBondContact O-CD2 3.19Å; E166-Y170 PolarHBondContact O-N 2.63Å
167L94.8Very high89.9Confident0 Ų054.1 Ų54.10%028%0.276CS..Hα-helixtrans-58.1-50.2175.7176.558.4000111.4H2 L4 L27 I97 C163 L164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.27Å; L4-L167 HydrophobicContact CB-CB 3.95Å; L4-L167 HydrophobicContact CB-CD1 4Å; L4-L167 HydrophobicContact CB-CD2 4.49Å; L4-L167 HydrophobicContact CB-CG 4.35Å; L4-L167 HydrophobicContact CD2-CB 4.13Å; L27-L167 HydrophobicContact CD1-CD1 3.6Å; I97-L167 HydrophobicContact CB-CD2 4.39Å; I97-L167 HydrophobicContact CD1-CD2 3.77Å; I97-L167 HydrophobicContact CD1-CG 4.02Å; I97-L167 HydrophobicContact CG1-CD2 3.79Å; C163-L167 WeakPolarHBondContact O-CB 3.36Å; C163-L167 PolarHBondContact O-N 3.22Å; L164-L167 PolarHBondContact O-N 2.72Å; L167-R169 VanDerWaalsContact C-N 3.27Å; L167-R169 PolarHBondContact O-N 3.45Å; L167-Y170 PolarHBondContact O-N 3.31Å; L167-L171 HydrophobicContact CD1-CD1 4.16Å; L167-L171 HydrophobicContact CD1-CG 4.18Å; L167-L171 HydrophobicContact CG-CD1 4.13Å; L167-L171 VanDerWaalsContact O-CG 3.29Å; L167-L171 WeakPolarHBondContact O-CG 3.46Å; L167-L171 PolarHBondContact O-N 2.98Å
168R94.4Very high89Confident145 Ų14556.8 Ų56.855%0.54728%0.282SS..Hα-helixtrans-58.6-39.2176.5-73.5173-178.2167.81.8112.3I97 L164 E166 K172I97-R168 HydrophobicContact CD1-CG 3.64Å; L164-R168 WeakPolarHBondContact O-CB 3.47Å; L164-R168 VanDerWaalsContact O-CG 3.26Å; L164-R168 WeakPolarHBondContact O-CG 3.2Å; L164-R168 PolarHBondContact O-N 2.9Å; E166-R168 PolarHBondContact O-N 3.01Å; R168-K172 WeakPolarHBondContact O-CB 3.08Å; R168-K172 PolarHBondContact O-N 2.93Å
169R92.3Very high88.2Confident60 Ų6058.2 Ų58.223%0.22628%0.278CS..Hα-helixtrans-65.4-44.1177.6-176.3-171.664.896.4-13.9111.3T57 R60 Q165 E166 L167 K172 S173T57-R169 VanDerWaalsContact CG2-NH2 3.31Å; T57-R169 PolarHBondContact OG1-NH1 3.03Å; R60-R169 VanDerWaalsContact NH2-CD 3.27Å; Q165-R169 WeakPolarHBondContact O-CB 3.41Å; Q165-R169 PolarHBondContact O-N 3.16Å; E166-R169 WeakPolarHBondContact O-CB 3.41Å; E166-R169 PolarHBondContact O-N 3Å; E166-R169 VanDerWaalsContact O-N 3.16Å; E166-R169 IonicContact OE2-CZ 3.9Å; E166-R169 IonicContact OE2-NE 3.79Å; E166-R169 PolarHBondContact OE2-NE 2.95Å; E166-R169 IonicContact OE2-NH2 3.34Å; E166-R169 PolarHBondContact OE2-NH2 3.18Å; L167-R169 VanDerWaalsContact C-N 3.27Å; L167-R169 PolarHBondContact O-N 3.45Å; R169-K172 PolarHBondContact O-N 2.85Å; R169-S173 PolarHBondContact O-N 2.99Å
170Y90.6Very high87.9Confident0 Ų059.4 Ų59.40%029%0.287CS..Hα-helixtrans-62.3-45.9176.3-68.4-48.4000111.5L4 L27 F32 L53 T57 E61 E166 L167 K172 S173 V175L4-Y170 HydrophobicContact CD1-CD2 4.22Å; L4-Y170 HydrophobicContact CD1-CE2 4.21Å; L4-Y170 HydrophobicContact CD2-CD2 4.16Å; L4-Y170 HydrophobicContact CD2-CE2 4.12Å; L27-Y170 HydrophobicContact CD2-CG 4.35Å; F32-Y170 HydrophobicContact CE1-CD1 4.16Å; F32-Y170 HydrophobicContact CE1-CD2 4.35Å; F32-Y170 AromaticContact CE1-CE1 3.63Å; F32-Y170 HydrophobicContact CE1-CE1 3.63Å; F32-Y170 AromaticContact CE1-CE2 3.87Å; F32-Y170 HydrophobicContact CE1-CE2 3.87Å; F32-Y170 AromaticContact CE1-CZ 3.48Å; F32-Y170 VanDerWaalsContact CE1-CZ 3.48Å; F32-Y170 AromaticContact CZ-CD1 3.65Å; F32-Y170 HydrophobicContact CZ-CD1 3.65Å; F32-Y170 AromaticContact CZ-CE1 3.39Å; F32-Y170 HydrophobicContact CZ-CE1 3.39Å; F32-Y170 HydrophobicContact CZ-CE2 4.35Å; F32-Y170 HydrophobicContact CZ-CG 4.25Å; F32-Y170 AromaticContact CZ-CZ 3.78Å; L53-Y170 HydrophobicContact CD1-CD1 4Å; L53-Y170 HydrophobicContact CD1-CE1 3.88Å; L53-Y170 HydrophobicContact CD2-CD1 4.19Å; L53-Y170 HydrophobicContact CD2-CE1 4.37Å; T57-Y170 HydrophobicContact CG2-CE1 3.87Å; E61-Y170 VanDerWaalsContact CD-OH 3.26Å; E61-Y170 VanDerWaalsContact CG-OH 3.29Å; E61-Y170 WeakPolarHBondContact CG-OH 3.46Å; E61-Y170 PolarHBondContact OE1-OH 3.33Å; E166-Y170 HydrophobicContact CB-CE2 4.12Å; E166-Y170 WeakPolarHBondContact O-CD2 3.19Å; E166-Y170 PolarHBondContact O-N 2.63Å; L167-Y170 PolarHBondContact O-N 3.31Å; Y170-K172 VanDerWaalsContact C-N 3.35Å; Y170-K172 PolarHBondContact O-N 2.96Å; Y170-S173 PolarHBondContact O-N 3.39Å; Y170-S173 VanDerWaalsContact O-N 3.15Å; Y170-S173 PolarHBondContact O-OG 2.81Å; Y170-V175 WeakPolarHBondContact O-CG1 3.25Å
171L89.3Confident87.8Confident41 Ų4159.9 Ų59.922%0.21529%0.292CS..Hα-helixtrans-57.4-47.2174.7-63.9172.5000111.8H2 I97 L167 S173 G174 V176H2-L171 HydrophobicContact CB-CD1 3.85Å; H2-L171 HydrophobicContact CB-CD2 3.99Å; H2-L171 HydrophobicContact CB-CG 4.5Å; H2-L171 VanDerWaalsContact CG-CD2 3.49Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.36Å; I97-L171 HydrophobicContact CD1-CD1 4.39Å; L167-L171 HydrophobicContact CD1-CD1 4.16Å; L167-L171 HydrophobicContact CD1-CG 4.18Å; L167-L171 HydrophobicContact CG-CD1 4.13Å; L167-L171 VanDerWaalsContact O-CG 3.29Å; L167-L171 WeakPolarHBondContact O-CG 3.46Å; L167-L171 PolarHBondContact O-N 2.98Å; L171-S173 VanDerWaalsContact C-N 3.27Å; L171-S173 PolarHBondContact O-N 2.71Å; L171-G174 PolarHBondContact O-N 2.89Å; L171-G174 VanDerWaalsContact O-N 3.14Å; L171-V176 HydrophobicContact CD2-CB 4.29Å; L171-V176 HydrophobicContact CD2-CG2 3.77Å
172K90.1Very high87.8Confident191 Ų19161.7 Ų61.783%0.8330%0.3SS*.Hα-helixtrans-65.3-27.3179-170.9174.7-178.1178.20113.5R168 R169 Y170 G174R168-K172 WeakPolarHBondContact O-CB 3.08Å; R168-K172 PolarHBondContact O-N 2.93Å; R169-K172 PolarHBondContact O-N 2.85Å; Y170-K172 VanDerWaalsContact C-N 3.35Å; Y170-K172 PolarHBondContact O-N 2.96Å; K172-G174 PolarHBondContact O-N 2.79Å
173S87.1Confident87.9Confident45 Ų4558.1 Ų58.132%0.31528%0.282SS..Hα-helixtrans-70-1417774.20000113.5V52 R169 Y170 L171 V175V52-S173 VanDerWaalsContact CG1-O 3.25Å; V52-S173 WeakPolarHBondContact CG1-O 3.4Å; R169-S173 PolarHBondContact O-N 2.99Å; Y170-S173 PolarHBondContact O-N 3.39Å; Y170-S173 VanDerWaalsContact O-N 3.15Å; Y170-S173 PolarHBondContact O-OG 2.81Å; L171-S173 VanDerWaalsContact C-N 3.27Å; L171-S173 PolarHBondContact O-N 2.71Å; S173-V175 PolarHBondContact O-N 2.92Å; S173-V175 WeakPolarHBondContact OG-CB 3.38Å; S173-V175 PolarHBondContact OG-N 2.66Å
174G81.6Confident87.9Confident18 Ų1863.9 Ų63.919%0.18631%0.31CS..THydrogen-bonded Turntrans77.76.8-176.800000113.9L171 K172 V176 L177 R178L171-G174 PolarHBondContact O-N 2.89Å; L171-G174 VanDerWaalsContact O-N 3.14Å; K172-G174 PolarHBondContact O-N 2.79Å; G174-V176 PolarHBondContact O-N 3.39Å; G174-L177 PolarHBondContact O-N 3.33Å; G174-L177 VanDerWaalsContact O-N 3.12Å; G174-R178 PolarHBondContact O-N 3.04Å; G174-R178 VanDerWaalsContact O-N 3.09Å
175V82.6Confident88Confident0 Ų065 Ų650%032%0.317CS..THydrogen-bonded Turntrans-59.7-36.6179.578.30000111.7L27 F32 W48 A49 V52 L53 Y170 S173L27-V175 HydrophobicContact CD2-CG1 3.56Å; F32-V175 HydrophobicContact CE2-CG1 4.47Å; F32-V175 HydrophobicContact CE2-CG2 4.15Å; W48-V175 HydrophobicContact CE3-CG2 3.67Å; W48-V175 HydrophobicContact CZ3-CG1 4.44Å; W48-V175 HydrophobicContact CZ3-CG2 3.78Å; W48-V175 WeakPolarHBondContact O-CG2 3.26Å; A49-V175 HydrophobicContact CB-CG2 4.44Å; V52-V175 HydrophobicContact CB-CB 4.25Å; V52-V175 HydrophobicContact CB-CG2 4.05Å; V52-V175 HydrophobicContact CG1-CB 3.91Å; V52-V175 HydrophobicContact CG1-CG2 4.25Å; V52-V175 HydrophobicContact CG2-CG2 4.46Å; L53-V175 HydrophobicContact CD1-CG2 4.09Å; L53-V175 HydrophobicContact CG-CG2 4.28Å; Y170-V175 WeakPolarHBondContact O-CG1 3.25Å; S173-V175 PolarHBondContact O-N 2.92Å; S173-V175 WeakPolarHBondContact OG-CB 3.38Å; S173-V175 PolarHBondContact OG-N 2.66Å
176V75.2Confident88Confident18 Ų1863.9 Ų63.911%0.10932%0.315CS..THydrogen-bonded Turntrans-69.5-41.7175.5177.90000111.5L27 D28 L171 G174 R178 R179 T180L27-V176 HydrophobicContact CD1-CG2 4.43Å; L27-V176 HydrophobicContact CD2-CG2 3.62Å; L27-V176 HydrophobicContact CG-CG2 3.95Å; D28-V176 VanDerWaalsContact OD2-CG1 3.26Å; D28-V176 WeakPolarHBondContact OD2-CG1 3.42Å; L171-V176 HydrophobicContact CD2-CB 4.29Å; L171-V176 HydrophobicContact CD2-CG2 3.77Å; G174-V176 PolarHBondContact O-N 3.39Å; V176-R178 VanDerWaalsContact C-N 3.32Å; V176-R178 PolarHBondContact O-N 2.83Å; V176-R179 PolarHBondContact O-N 2.81Å; V176-T180 PolarHBondContact O-N 2.92Å
177L73.3Confident88.2Confident129 Ų12963.8 Ų63.868%0.67532%0.315SS*.G310 helixtrans-63.6-35.8179.5-69.5172.6000112.6G174 R179 T180G174-L177 PolarHBondContact O-N 3.33Å; G174-L177 VanDerWaalsContact O-N 3.12Å; L177-R179 PolarHBondContact O-N 3.01Å; L177-R179 VanDerWaalsContact O-N 3.14Å; L177-T180 WeakPolarHBondContact O-CB 3.44Å; L177-T180 PolarHBondContact O-N 2.91Å; L177-T180 VanDerWaalsContact O-N 3.15Å; L177-T180 PolarHBondContact O-OG1 3.41Å
178R71.9Confident88.1Confident151 Ų15166.9 Ų66.957%0.5733%0.334SS*.G310 helixtrans-61.5-19.7175.2-87.3-144.4-179.8-172.22.2113.4D51 V52 G174 V176D51-R178 VanDerWaalsContact CB-NH1 3.25Å; D51-R178 IonicContact OD2-NH1 2.96Å; D51-R178 PolarHBondContact OD2-NH1 3.43Å; V52-R178 HydrophobicContact CG2-CG 4.04Å; G174-R178 PolarHBondContact O-N 3.04Å; G174-R178 VanDerWaalsContact O-N 3.09Å; V176-R178 VanDerWaalsContact C-N 3.32Å; V176-R178 PolarHBondContact O-N 2.83Å
179R76.9Confident88Confident73 Ų7362.8 Ų62.828%0.27532%0.319SS..G310 helixtrans-94.8-13.4178.8-166.559.7-172.21361.4113.4W48 V176 L177 V181 Y207W48-R179 HydrophobicContact CD2-CB 4.47Å; W48-R179 HydrophobicContact CE3-CB 4.47Å; V176-R179 PolarHBondContact O-N 2.81Å; L177-R179 PolarHBondContact O-N 3.01Å; L177-R179 VanDerWaalsContact O-N 3.14Å; R179-V181 WeakPolarHBondContact O-CG2 3.18Å; R179-V181 PolarHBondContact O-N 2.97Å; R179-Y207 HydrophobicContact CB-CE1 4.35Å; R179-Y207 HydrophobicContact CG-CD1 4.02Å; R179-Y207 HydrophobicContact CG-CE1 3.96Å; R179-Y207 WeakPolarHBondContact O-CD1 3.36Å
180T86.4Confident88Confident44 Ų4462.2 Ų62.227%0.2732%0.324SS..  trans-57.3122.6177.6-580000110.2V176 L177 Y207V176-T180 PolarHBondContact O-N 2.92Å; L177-T180 WeakPolarHBondContact O-CB 3.44Å; L177-T180 PolarHBondContact O-N 2.91Å; L177-T180 VanDerWaalsContact O-N 3.15Å; L177-T180 PolarHBondContact O-OG1 3.41Å; T180-Y207 CarbonylContact C-O 3.53Å; T180-Y207 WeakPolarHBondContact CA-O 3.41Å
181V90.6Very high87.8Confident46 Ų4669.1 Ų69.128%0.27936%0.356SS..BIsolated β-bridgetrans-112.4113.8174.5-171.30000107.4R179 G205 F206 Y207 H262R179-V181 WeakPolarHBondContact O-CG2 3.18Å; R179-V181 PolarHBondContact O-N 2.97Å; V181-G205 WeakPolarHBondContact CG1-O 3.15Å; V181-F206 VanDerWaalsContact O-CA 3.26Å; V181-F206 WeakPolarHBondContact O-CA 3.32Å; V181-Y207 PolarHBondContact N-O 3.04Å; V181-Y207 PolarHBondContact O-N 2.84Å; V181-H262 PolarHBondContact O-CE1 3.42Å
182P92.9Very high87.7Confident83 Ų8369.6 Ų69.654%0.53937%0.366SS..PPolyproline II helixtrans-63.3143.9176.5-21.933000111.6
183P96.3Very high87.6Confident19 Ų1964.3 Ų64.312%0.12335%0.353CS..PPolyproline II helixtrans-63.9140.2175.824.7-35.8000113.1V185 A203 F206 I211 M260 H262P183-V185 HydrophobicContact CB-CG2 4.28Å; P183-V185 HydrophobicContact CG-CG2 4.45Å; P183-A203 HydrophobicContact CB-CB 4.08Å; P183-F206 HydrophobicContact CB-CB 3.72Å; P183-F206 HydrophobicContact CB-CD1 3.93Å; P183-F206 HydrophobicContact CB-CG 4.12Å; P183-F206 HydrophobicContact CG-CB 4.32Å; P183-I211 HydrophobicContact CB-CD1 4.26Å; P183-I211 HydrophobicContact CG-CD1 4.25Å; P183-M260 HydrophobicContact CB-CE 4.37Å; P183-M260 HydrophobicContact CG-CE 3.31Å; P183-M260 HydrophobicContact CG-CG 4.49Å; P183-M260 HydrophobicContact CG-SD 3.66Å; P183-H262 WeakPolarHBondContact CD-ND1 3.38Å; P183-H262 HydrophobicContact CG-CB 4.06Å
184M95.9Very high87.7Confident129 Ų12971 Ų7164%0.63538%0.38SS*.EExtended strand (participates in β ladder)trans-81.6118.6157.2-65.3-173.2-64.500108.5A203 S204M184-A203 WeakPolarHBondContact O-CA 3.28Å; M184-S204 PolarHBondContact N-O 3.42Å; M184-S204 PolarHBondContact O-N 3.15Å; M184-S204 PolarHBondContact O-OG 3.29Å
185V96.4Very high88Confident32 Ų3272 Ų7219%0.19439%0.39CS..EExtended strand (participates in β ladder)trans-104.4126.8180-174.90000110.3P183 R202 M260 H269P183-V185 HydrophobicContact CB-CG2 4.28Å; P183-V185 HydrophobicContact CG-CG2 4.45Å; V185-R202 CarbonylContact C-O 3.52Å; V185-R202 WeakPolarHBondContact CA-O 3.21Å; V185-M260 HydrophobicContact CG2-CE 3.56Å; V185-M260 HydrophobicContact CG2-CG 4.5Å; V185-H269 HydrophobicContact CG1-CB 4.32Å; V185-H269 VanDerWaalsContact CG1-CD2 3.49Å; V185-H269 WeakPolarHBondContact CG1-CD2 3.29Å
186N96.3Very high88.5Confident99 Ų9975.3 Ų75.353%0.52941%0.407SS..EExtended strand (participates in β ladder)trans-125129.5174.9-169.424.7000110R202N186-R202 PolarHBondContact N-O 2.97Å; N186-R202 PolarHBondContact O-N 2.91Å
187V96.8Very high89.4Confident17 Ų1774.7 Ų74.710%0.10340%0.403CS..EExtended strand (participates in β ladder)trans-109.6120.4177.5-177.10000108.7T200 C201 W215 C258 H269 P272V187-T200 CarbonylContact C-O 3.52Å; V187-T200 WeakPolarHBondContact CA-O 3.35Å; V187-C201 HydrophobicContact CG2-CB 4.43Å; V187-W215 HydrophobicContact CG1-CH2 3.72Å; V187-W215 HydrophobicContact CG1-CZ2 4.37Å; V187-C258 HydrophobicContact CG2-CB 4.31Å; V187-H269 HydrophobicContact CG2-CB 3.69Å; V187-P272 WeakPolarHBondContact O-CG 3.38Å
188T94.3Very high90.4Very high64 Ų6470.2 Ų70.239%0.39338%0.381SS..EExtended strand (participates in β ladder)trans-119157.618057.10000110.9V199 T200T188-V199 WeakPolarHBondContact O-CA 3.12Å; T188-T200 PolarHBondContact N-O 3.14Å; T188-T200 PolarHBondContact O-N 3.26Å; T188-T200 PolarHBondContact OG1-O 2.91Å
189R92.1Very high91.5Very high60 Ų6063 Ų6323%0.22635%0.354CS..EExtended strand (participates in β ladder)trans-128143173.769.3-174.4-169.31548.1111T198 V199 E253 G274R189-T198 CarbonylContact C-O 3.52Å; R189-T198 WeakPolarHBondContact CA-O 3.41Å; R189-V199 HydrophobicContact CB-CG1 4.27Å; R189-E253 IonicContact NH1-OE1 2.94Å; R189-E253 PolarHBondContact NH1-OE1 3.46Å; R189-G274 PolarHBondContact NE-O 2.91Å; R189-G274 PolarHBondContact NH2-O 3.36Å
190S90.6Very high92.5Very high48 Ų4861 Ų6134%0.33635%0.35SS..PPolyproline II helixtrans-73.5167.8171.5750000111.3T198S190-T198 PolarHBondContact N-O 3.34Å; S190-T198 PolarHBondContact OG-N 3.32Å
191E87.6Confident93Very high144 Ų14458.9 Ų58.967%0.67334%0.337SS*.PPolyproline II helixtrans-62.2152.1163-64.7-171.9171.400110.5V276E191-V276 HydrophobicContact CG-CG2 4.33Å
192A87.3Confident93.3Very high51 Ų5161.3 Ų61.342%0.42134%0.341SS..PPolyproline II helixtrans-74.4127.8178.800000109.9N196 I197A192-N196 CarbonylContact C-O 3.5Å; A192-N196 WeakPolarHBondContact CA-O 3.42Å; A192-I197 HydrophobicContact CB-CG2 3.78Å
193S87.3Confident93.5Very high80 Ų8057.4 Ų57.456%0.55932%0.316SS*.BIsolated β-bridgetrans-123.8120.9173.2178.40000107.7G195 N196S193-G195 PolarHBondContact O-N 3.36Å; S193-N196 PolarHBondContact N-O 2.04Å; S193-N196 PolarHBondContact O-N 2.87Å
194E89.1Confident93.6Very high187 Ų18758 Ų5887%0.87432%0.32SS*.THydrogen-bonded Turntrans53.736.9179.3-58.2176.3-17200113.4N196E194-N196 VanDerWaalsContact C-N 3.26Å; E194-N196 PolarHBondContact O-N 2.98Å
195G88.4Confident93.5Very high39 Ų3952.5 Ų52.540%0.40230%0.297SS..THydrogen-bonded Turntrans79.21.2-179.400000115.1S193 Q250S193-G195 PolarHBondContact O-N 3.36Å; G195-Q250 VanDerWaalsContact O-CB 3.3Å; G195-Q250 WeakPolarHBondContact O-CB 3.28Å; G195-Q250 PolarHBondContact O-N 2.9Å
196N92.8Very high93.4Very high69 Ų6951 Ų5137%0.36929%0.288SS..EExtended strand (participates in β ladder)trans-109.6145.7178.2-64.3-45.7000111.4A192 S193 E194 I248A192-N196 CarbonylContact C-O 3.5Å; A192-N196 WeakPolarHBondContact CA-O 3.42Å; S193-N196 PolarHBondContact N-O 2.04Å; S193-N196 PolarHBondContact O-N 2.87Å; E194-N196 VanDerWaalsContact C-N 3.26Å; E194-N196 PolarHBondContact O-N 2.98Å; N196-I248 WeakPolarHBondContact CA-O 3.35Å
197I93.4Very high93.1Very high5 Ų546.8 Ų46.83%0.02627%0.265CS..EExtended strand (participates in β ladder)trans-121.8148.6170.260.1173000109.5A192 V199 R247 I248 E253A192-I197 HydrophobicContact CB-CG2 3.78Å; I197-V199 HydrophobicContact CD1-CG1 4.18Å; I197-V199 HydrophobicContact CG1-CG1 4.47Å; I197-R247 WeakPolarHBondContact O-CA 3.08Å; I197-I248 HydrophobicContact CD1-CD1 4.11Å; I197-I248 HydrophobicContact CD1-CG1 4.02Å; I197-I248 HydrophobicContact CG1-CD1 4.21Å; I197-I248 HydrophobicContact CG1-CG1 3.56Å; I197-I248 PolarHBondContact N-O 2.93Å; I197-I248 PolarHBondContact O-N 3.46Å; I197-E253 HydrophobicContact CD1-CG 3.59Å
198T94.9Very high92.7Very high34 Ų3448 Ų4821%0.20927%0.273CS..EExtended strand (participates in β ladder)trans-97.3123.9168.8-54.70000108.2R189 S190 A245 T246R189-T198 CarbonylContact C-O 3.52Å; R189-T198 WeakPolarHBondContact CA-O 3.41Å; S190-T198 PolarHBondContact N-O 3.34Å; S190-T198 PolarHBondContact OG-N 3.32Å; T198-A245 HydrophobicContact CG2-CB 4.19Å; T198-T246 WeakPolarHBondContact CA-O 3.2Å
199V95.8Very high92.5Very high0 Ų052.7 Ų52.70%028%0.284CS..EExtended strand (participates in β ladder)trans-100.7135.1172.9-67.10000109T188 R189 I197 W215 A245 T246 I248 V271T188-V199 WeakPolarHBondContact O-CA 3.12Å; R189-V199 HydrophobicContact CB-CG1 4.27Å; I197-V199 HydrophobicContact CD1-CG1 4.18Å; I197-V199 HydrophobicContact CG1-CG1 4.47Å; V199-W215 HydrophobicContact CB-CH2 3.55Å; V199-W215 HydrophobicContact CB-CZ2 3.65Å; V199-W215 HydrophobicContact CB-CZ3 4.27Å; V199-W215 HydrophobicContact CG2-CD2 4.12Å; V199-W215 HydrophobicContact CG2-CE3 4.1Å; V199-W215 HydrophobicContact CG2-CH2 3.48Å; V199-W215 VanDerWaalsContact CG2-CH2 3.48Å; V199-W215 HydrophobicContact CG2-CZ2 3.5Å; V199-W215 VanDerWaalsContact CG2-CZ2 3.5Å; V199-W215 HydrophobicContact CG2-CZ3 3.8Å; V199-A245 CarbonylContact O-C 3.54Å; V199-A245 WeakPolarHBondContact O-CA 3.47Å; V199-A245 WeakPolarHBondContact O-CB 3.48Å; V199-T246 HydrophobicContact CG2-CG2 3.72Å; V199-T246 WeakPolarHBondContact CG2-O 3.33Å; V199-T246 PolarHBondContact N-O 3.47Å; V199-T246 PolarHBondContact O-N 2.84Å; V199-I248 HydrophobicContact CG1-CD1 3.67Å; V199-I248 HydrophobicContact CG1-CG1 4.13Å; V199-I248 HydrophobicContact CG2-CD1 4.19Å; V199-I248 HydrophobicContact CG2-CG1 4.46Å; V199-I248 HydrophobicContact CG2-CG2 4.28Å; V199-V271 HydrophobicContact CB-CG2 4.39Å; V199-V271 HydrophobicContact CG1-CG1 3.71Å; V199-V271 HydrophobicContact CG1-CG2 4Å
200T96.9Very high92.4Very high30 Ų3053.5 Ų53.518%0.18429%0.292CS..EExtended strand (participates in β ladder)trans-128.6124-177.9-53.40000109.3V187 T188 W243 A244 A245V187-T200 CarbonylContact C-O 3.52Å; V187-T200 WeakPolarHBondContact CA-O 3.35Å; T188-T200 PolarHBondContact N-O 3.14Å; T188-T200 PolarHBondContact O-N 3.26Å; T188-T200 PolarHBondContact OG1-O 2.91Å; T200-W243 HydrophobicContact CG2-CB 4.21Å; T200-W243 HydrophobicContact CG2-CD2 4.5Å; T200-W243 HydrophobicContact CG2-CE3 4.08Å; T200-A244 WeakPolarHBondContact CA-O 3.39Å; T200-A245 HydrophobicContact CG2-CB 4.21Å
201C97.4Very high92.6Very high0 Ų052.7 Ų52.70%028%0.284CS..EExtended strand (participates in β ladder)trans-102.2120.3173-172.20000107.9V187 L213 W215 W243 A244 C258V187-C201 HydrophobicContact CG2-CB 4.43Å; C201-L213 HydrophobicContact CB-CD2 4.28Å; C201-L213 WeakPolarHBondContact O-CD2 3.32Å; C201-W215 HydrophobicContact CB-CZ2 3.81Å; C201-W243 CarbonylContact O-C 3.6Å; C201-W243 WeakPolarHBondContact O-CA 3.4Å; C201-W243 WeakPolarHBondContact O-CB 3.38Å; C201-A244 PolarHBondContact N-O 3.29Å; C201-A244 PolarHBondContact O-N 2.93Å; C201-C258 HydrophobicContact CB-CB 3.55Å; C201-C258 WeakPolarHBondContact CB-SG 3.45Å; C201-C258 WeakPolarHBondContact SG-CB 3.47Å; C201-C258 CovalentContact SG-SG 2.03Å; C201-C258 PolarHBondContact SG-SG 2.88Å
202R97.3Very high92.9Very high98 Ų9849.1 Ų49.137%0.3727%0.272SS..EExtended strand (participates in β ladder)trans-114126179.1-175.9176.3-71.5-96.9-2.2109.1V185 N186 Q241 W243V185-R202 CarbonylContact C-O 3.52Å; V185-R202 WeakPolarHBondContact CA-O 3.21Å; N186-R202 PolarHBondContact N-O 2.97Å; N186-R202 PolarHBondContact O-N 2.91Å; R202-Q241 VanDerWaalsContact NH1-OE1 3.13Å; R202-W243 HydrophobicContact CB-CB 4.23Å; R202-W243 HydrophobicContact CG-CB 4.36Å
203A97.6Very high93.3Very high0 Ų047.2 Ų47.20%026%0.255CS..EExtended strand (participates in β ladder)trans-105.1131.8168.700000108.2P183 M184 F206 I211 L213 Q241 T242P183-A203 HydrophobicContact CB-CB 4.08Å; M184-A203 WeakPolarHBondContact O-CA 3.28Å; A203-F206 HydrophobicContact CB-CD1 4.13Å; A203-F206 HydrophobicContact CB-CE1 3.94Å; A203-I211 HydrophobicContact CB-CD1 3.67Å; A203-L213 HydrophobicContact CB-CD1 4.41Å; A203-Q241 CarbonylContact O-C 3.59Å; A203-Q241 VanDerWaalsContact O-CA 3.28Å; A203-Q241 WeakPolarHBondContact O-CA 3.47Å; A203-T242 HydrophobicContact CB-CG2 4.34Å; A203-T242 PolarHBondContact N-O 2.75Å; A203-T242 PolarHBondContact O-N 2.98Å
204S96.4Very high93.7Very high31 Ų3144 Ų4422%0.21723%0.233CC..EExtended strand (participates in β ladder)trans-143.7159.1-177.157.70000111.4M184 F206 Y240M184-S204 PolarHBondContact N-O 3.42Å; M184-S204 PolarHBondContact O-N 3.15Å; M184-S204 PolarHBondContact O-OG 3.29Å; S204-F206 VanDerWaalsContact C-N 3.29Å; S204-F206 PolarHBondContact O-N 3.48Å; S204-Y240 CarbonylContact C-O 3.59Å
205G94.7Very high94.1Very high15 Ų1535.1 Ų35.116%0.15519%0.191CC..EExtended strand (participates in β ladder)trans71.221.1174.600000114.4V181 D235 T239 Y240V181-G205 WeakPolarHBondContact CG1-O 3.15Å; G205-D235 PolarHBondContact N-OD2 2.77Å; G205-D235 VanDerWaalsContact N-OD2 3.1Å; G205-T239 VanDerWaalsContact C-CB 3.49Å; G205-T239 WeakPolarHBondContact CA-OG1 3.31Å; G205-Y240 PolarHBondContact N-O 2.93Å
206F93.9Very high94.5Very high0 Ų036.2 Ų36.20%018%0.183CC..EExtended strand (participates in β ladder)trans-101.7154.1-175.761.3-90.9000114.3V181 P183 A203 S204 P208 W209 I211 V232 T239 Y240 T242 H262V181-F206 VanDerWaalsContact O-CA 3.26Å; V181-F206 WeakPolarHBondContact O-CA 3.32Å; P183-F206 HydrophobicContact CB-CB 3.72Å; P183-F206 HydrophobicContact CB-CD1 3.93Å; P183-F206 HydrophobicContact CB-CG 4.12Å; P183-F206 HydrophobicContact CG-CB 4.32Å; A203-F206 HydrophobicContact CB-CD1 4.13Å; A203-F206 HydrophobicContact CB-CE1 3.94Å; S204-F206 VanDerWaalsContact C-N 3.29Å; S204-F206 PolarHBondContact O-N 3.48Å; F206-P208 WeakPolarHBondContact CD2-O 3.23Å; F206-W209 WeakPolarHBondContact CE2-O 3.1Å; F206-I211 HydrophobicContact CD1-CD1 3.97Å; F206-I211 HydrophobicContact CD2-CB 4.35Å; F206-I211 HydrophobicContact CD2-CD1 4.18Å; F206-I211 HydrophobicContact CE1-CD1 3.86Å; F206-I211 HydrophobicContact CE1-CG2 4.47Å; F206-I211 HydrophobicContact CE2-CB 3.84Å; F206-I211 HydrophobicContact CE2-CD1 4.09Å; F206-I211 HydrophobicContact CE2-CG2 3.62Å; F206-I211 HydrophobicContact CG-CD1 4.14Å; F206-I211 HydrophobicContact CZ-CB 4.17Å; F206-I211 HydrophobicContact CZ-CD1 3.94Å; F206-I211 HydrophobicContact CZ-CG2 3.57Å; F206-V232 HydrophobicContact CE2-CG1 4.39Å; F206-V232 HydrophobicContact CZ-CG1 4.14Å; F206-T239 CarbonylContact O-C 3.55Å; F206-T239 WeakPolarHBondContact O-CA 3.21Å; F206-T239 WeakPolarHBondContact O-CB 3.45Å; F206-Y240 WeakPolarHBondContact CD1-O 3.48Å; F206-Y240 WeakPolarHBondContact CE1-O 3.43Å; F206-Y240 PolarHBondContact N-O 2.78Å; F206-Y240 WeakPolarHBondContact O-CD2 3.01Å; F206-Y240 PolarHBondContact O-N 3.46Å; F206-T242 HydrophobicContact CE1-CG2 4.07Å; F206-T242 HydrophobicContact CZ-CG2 3.92Å; F206-H262 AromaticContact CD2-CD2 3.93Å; F206-H262 AromaticContact CD2-NE2 3.68Å
207Y89.8Confident94.7Very high11 Ų1135.8 Ų35.84%0.04318%0.179CC..BIsolated β-bridgetrans-151.1135.7171177.8-85.4000109.3D28 Q30 R179 T180 V181 Y240 H262D28-Y207 PolarHBondContact O-OH 2.96Å; Q30-Y207 HydrophobicContact CG-CE2 3.89Å; Q30-Y207 WeakPolarHBondContact CG-OH 3.37Å; R179-Y207 HydrophobicContact CB-CE1 4.35Å; R179-Y207 HydrophobicContact CG-CD1 4.02Å; R179-Y207 HydrophobicContact CG-CE1 3.96Å; R179-Y207 WeakPolarHBondContact O-CD1 3.36Å; T180-Y207 CarbonylContact C-O 3.53Å; T180-Y207 WeakPolarHBondContact CA-O 3.41Å; V181-Y207 PolarHBondContact N-O 3.04Å; V181-Y207 PolarHBondContact O-N 2.84Å; Y207-Y240 AromaticContact CD2-CE2 3.91Å; Y207-Y240 HydrophobicContact CD2-CE2 3.91Å; Y207-Y240 HydrophobicContact CE2-CE2 4.38Å; Y207-H262 VanDerWaalsContact C-CE1 3.49Å; Y207-H262 PolarHBondContact O-CE1 3.36Å
208P89.8Confident94.8Very high43 Ų4340.2 Ų40.228%0.27920%0.202SC..SBendcis-75175.96.832.3-37.8000113.8F206 N210 H262 S263F206-P208 WeakPolarHBondContact CD2-O 3.23Å; P208-N210 VanDerWaalsContact C-N 3.33Å; P208-N210 PolarHBondContact O-N 2.85Å; P208-H262 PolarHBondContact O-NE2 2.79Å; P208-S263 WeakPolarHBondContact CD-OG 3.28Å
209W89.3Confident94.6Very high162 Ų16240.8 Ų40.861%0.61422%0.215SC*.SBendtrans-56.8-42.2178.9139.732.7000112.1F206 I211 Y240F206-W209 WeakPolarHBondContact CE2-O 3.1Å; W209-I211 PolarHBondContact O-N 2.9Å; W209-Y240 HydrophobicContact CB-CD1 4.32Å; W209-Y240 HydrophobicContact CB-CD2 3.95Å; W209-Y240 HydrophobicContact CB-CE1 4.1Å; W209-Y240 HydrophobicContact CB-CE2 3.72Å; W209-Y240 HydrophobicContact CB-CG 4.25Å
210N90.7Very high94.6Very high76 Ų7645.8 Ų45.841%0.40625%0.245SC..  trans-57.9115.8-175.9-71.79.3000111.4P208 H262P208-N210 VanDerWaalsContact C-N 3.33Å; P208-N210 PolarHBondContact O-N 2.85Å; N210-H262 PolarHBondContact O-CD2 3.28Å
211I94.1Very high94.5Very high32 Ų3247.4 Ų47.416%0.16426%0.258CS..EExtended strand (participates in β ladder)trans-144.3142.1177-170165.8000108.8P183 A203 F206 W209 T242 M260 H262P183-I211 HydrophobicContact CB-CD1 4.26Å; P183-I211 HydrophobicContact CG-CD1 4.25Å; A203-I211 HydrophobicContact CB-CD1 3.67Å; F206-I211 HydrophobicContact CD1-CD1 3.97Å; F206-I211 HydrophobicContact CD2-CB 4.35Å; F206-I211 HydrophobicContact CD2-CD1 4.18Å; F206-I211 HydrophobicContact CE1-CD1 3.86Å; F206-I211 HydrophobicContact CE1-CG2 4.47Å; F206-I211 HydrophobicContact CE2-CB 3.84Å; F206-I211 HydrophobicContact CE2-CD1 4.09Å; F206-I211 HydrophobicContact CE2-CG2 3.62Å; F206-I211 HydrophobicContact CG-CD1 4.14Å; F206-I211 HydrophobicContact CZ-CB 4.17Å; F206-I211 HydrophobicContact CZ-CD1 3.94Å; F206-I211 HydrophobicContact CZ-CG2 3.57Å; W209-I211 PolarHBondContact O-N 2.9Å; I211-T242 HydrophobicContact CG2-CG2 3.83Å; I211-M260 HydrophobicContact CD1-CG 4.18Å; I211-M260 HydrophobicContact CG1-CG 4.35Å; I211-H262 HydrophobicContact CD1-CB 4.45Å; I211-H262 HydrophobicContact CG1-CB 4.24Å
212T94.8Very high94.3Very high69 Ų6949.1 Ų49.142%0.42327%0.267SS..EExtended strand (participates in β ladder)trans-111121.5168.9-58.10000107.5M260 E261T212-M260 CarbonylContact O-C 3.56Å; T212-M260 VanDerWaalsContact O-CA 3.31Å; T212-M260 WeakPolarHBondContact O-CA 3.37Å; T212-E261 PolarHBondContact N-O 2.9Å; T212-E261 PolarHBondContact O-N 3.39Å
213L95.5Very high94Very high10 Ų1047.4 Ų47.45%0.05227%0.27CS..EExtended strand (participates in β ladder)trans-115.5146.8170.3-154.467.4000106.6C201 A203 W229 A244 Y259 M260C201-L213 HydrophobicContact CB-CD2 4.28Å; C201-L213 WeakPolarHBondContact O-CD2 3.32Å; A203-L213 HydrophobicContact CB-CD1 4.41Å; L213-W229 HydrophobicContact CB-CZ3 4.07Å; L213-W229 WeakPolarHBondContact O-CH2 3.44Å; L213-W229 WeakPolarHBondContact O-CZ3 3.27Å; L213-A244 HydrophobicContact CB-CB 4.48Å; L213-A244 HydrophobicContact CD2-CB 3.78Å; L213-A244 HydrophobicContact CG-CB 4.18Å; L213-Y259 CarbonylContact C-O 3.51Å; L213-Y259 WeakPolarHBondContact CA-O 3.21Å; L213-M260 HydrophobicContact CD1-CB 3.76Å; L213-M260 HydrophobicContact CD1-CG 3.84Å
214S95.6Very high93.4Very high14 Ų1453.8 Ų53.810%0.09830%0.299CS..EExtended strand (participates in β ladder)trans-164.4147.1168.9620000112.5C258 Y259S214-C258 CarbonylContact O-C 3.56Å; S214-Y259 PolarHBondContact N-O 3.2Å; S214-Y259 PolarHBondContact O-N 2.85Å
215W97.5Very high93.1Very high0 Ų059.6 Ų59.60%033%0.328CS..EExtended strand (participates in β ladder)trans-82.1138.2169.4-75.298.2000110.6V187 V199 C201 L222 Q227 A244 T246 F256 C258 V271V187-W215 HydrophobicContact CG1-CH2 3.72Å; V187-W215 HydrophobicContact CG1-CZ2 4.37Å; V199-W215 HydrophobicContact CB-CH2 3.55Å; V199-W215 HydrophobicContact CB-CZ2 3.65Å; V199-W215 HydrophobicContact CB-CZ3 4.27Å; V199-W215 HydrophobicContact CG2-CD2 4.12Å; V199-W215 HydrophobicContact CG2-CE3 4.1Å; V199-W215 HydrophobicContact CG2-CH2 3.48Å; V199-W215 VanDerWaalsContact CG2-CH2 3.48Å; V199-W215 HydrophobicContact CG2-CZ2 3.5Å; V199-W215 VanDerWaalsContact CG2-CZ2 3.5Å; V199-W215 HydrophobicContact CG2-CZ3 3.8Å; C201-W215 HydrophobicContact CB-CZ2 3.81Å; W215-L222 HydrophobicContact CB-CD1 3.38Å; W215-L222 PolarHBondContact O-N 2.83Å; W215-Q227 HydrophobicContact CB-CG 4.48Å; W215-A244 PolarHBondContact NE1-O 3.05Å; W215-T246 HydrophobicContact CB-CG2 3.98Å; W215-T246 HydrophobicContact CD2-CG2 3.9Å; W215-T246 HydrophobicContact CE3-CG2 4.5Å; W215-T246 HydrophobicContact CG-CG2 3.63Å; W215-F256 HydrophobicContact CE3-CB 4.22Å; W215-F256 HydrophobicContact CZ3-CB 4.2Å; W215-C258 HydrophobicContact CE3-CB 4.43Å; W215-C258 HydrophobicContact CH2-CB 4.32Å; W215-C258 HydrophobicContact CZ3-CB 4.29Å; W215-V271 HydrophobicContact CH2-CG2 3.81Å; W215-V271 HydrophobicContact CZ3-CG2 3.54Å
216R97Very high92.8Very high62 Ų6262.2 Ų62.223%0.23434%0.341CS..EExtended strand (participates in β ladder)trans-122.5135.5174.8-58.6-171176.1-164.16.7110.5V220 F256 T257 Y259R216-V220 CarbonylContact C-O 3.56Å; R216-V220 WeakPolarHBondContact CA-O 3.4Å; R216-F256 VanDerWaalsContact O-CA 3.32Å; R216-F256 WeakPolarHBondContact O-CA 3.47Å; R216-T257 PolarHBondContact N-O 3.08Å; R216-T257 PolarHBondContact O-N 2.89Å; R216-Y259 VanDerWaalsContact CZ-CD2 3.48Å; R216-Y259 VanDerWaalsContact NE-CB 3.25Å; R216-Y259 VanDerWaalsContact NH2-CD1 3.3Å; R216-Y259 VanDerWaalsContact NH2-CZ 3.34Å
217Q96.6Very high92.8Very high60 Ų6062.9 Ų62.928%0.2834%0.344SS..EExtended strand (participates in β ladder)trans-105.6122170.1-175.7176.8-10.500108.6G219 V220 R255 F256Q217-G219 PolarHBondContact O-N 3.12Å; Q217-G219 VanDerWaalsContact O-N 3.07Å; Q217-V220 PolarHBondContact N-O 3.09Å; Q217-V220 PolarHBondContact O-N 3.4Å; Q217-R255 CarbonylContact C-O 3.59Å; Q217-R255 WeakPolarHBondContact CA-O 3.44Å; Q217-R255 VanDerWaalsContact NE2-NH2 3.14Å; Q217-F256 HydrophobicContact CB-CD1 4.11Å; Q217-F256 HydrophobicContact CB-CE1 3.74Å; Q217-F256 HydrophobicContact CB-CZ 4.17Å; Q217-F256 HydrophobicContact CG-CD1 4.48Å; Q217-F256 HydrophobicContact CG-CE1 3.92Å; Q217-F256 HydrophobicContact CG-CE2 4.3Å; Q217-F256 HydrophobicContact CG-CZ 3.81Å
218D94.8Very high93Very high97 Ų9767.5 Ų67.552%0.51937%0.366SS..THydrogen-bonded Turntrans50.634.9-177.5-54.2-50.9000113R255D218-R255 PolarHBondContact N-O 3Å; D218-R255 WeakPolarHBondContact OD1-CB 3.49Å; D218-R255 WeakPolarHBondContact OD1-CG 3.34Å; D218-R255 IonicContact OD1-NE 3.75Å; D218-R255 PolarHBondContact OD1-NE 2.82Å; D218-R255 IonicContact OD2-CZ 3.24Å; D218-R255 VanDerWaalsContact OD2-CZ 3.24Å; D218-R255 IonicContact OD2-NE 2.67Å; D218-R255 PolarHBondContact OD2-NE 2.99Å; D218-R255 IonicContact OD2-NH2 3.33Å; D218-R255 PolarHBondContact OD2-NH2 2.9Å
219G91.5Very high93.3Very high46 Ų4669.6 Ų69.647%0.47437%0.369SS..THydrogen-bonded Turntrans87.9-5.8-179.600000115.8Q217Q217-G219 PolarHBondContact O-N 3.12Å; Q217-G219 VanDerWaalsContact O-N 3.07Å
220V95.4Very high93.5Very high105 Ų10562.5 Ų62.564%0.63635%0.346SS*.EExtended strand (participates in β ladder)trans-99.9127.7179.9-176.10000110.7R216 Q217 L222R216-V220 CarbonylContact C-O 3.56Å; R216-V220 WeakPolarHBondContact CA-O 3.4Å; Q217-V220 PolarHBondContact N-O 3.09Å; Q217-V220 PolarHBondContact O-N 3.4Å; V220-L222 PolarHBondContact O-N 3.4Å
221S93.9Very high93.7Very high64 Ų6465.4 Ų65.445%0.44836%0.362SS..EExtended strand (participates in β ladder)trans-60.8131.8177.1-59.10000111.9
222L93.9Very high93.7Very high36 Ų3666.4 Ų66.419%0.18837%0.369CS..PPolyproline II helixtrans-67156.3172.8-79148.9000110.9W215 V220 Q227 T246 F256W215-L222 HydrophobicContact CB-CD1 3.38Å; W215-L222 PolarHBondContact O-N 2.83Å; V220-L222 PolarHBondContact O-N 3.4Å; L222-Q227 HydrophobicContact CB-CG 4.09Å; L222-Q227 PolarHBondContact O-NE2 3.35Å; L222-T246 HydrophobicContact CD1-CG2 4.15Å; L222-F256 HydrophobicContact CD1-CD1 4.15Å; L222-F256 HydrophobicContact CD1-CE1 4.01Å
223S90.2Very high93.7Very high62 Ų6267.7 Ų67.743%0.43437%0.373SS..PPolyproline II helixtrans-65.1155.8174.1670000110.8D225 T226 Q227S223-D225 VanDerWaalsContact C-N 3.25Å; S223-D225 PolarHBondContact O-N 2.89Å; S223-T226 PolarHBondContact N-OG1 3.16Å; S223-T226 PolarHBondContact O-N 3.28Å; S223-T226 PolarHBondContact O-OG1 3.2Å; S223-T226 VanDerWaalsContact OG-CG2 3.29Å; S223-T226 WeakPolarHBondContact OG-CG2 3.2Å; S223-T226 PolarHBondContact OG-N 2.97Å; S223-T226 PolarHBondContact OG-OG1 2.92Å; S223-Q227 PolarHBondContact O-NE2 3.24Å
224H86.7Confident93.5Very high134 Ų13471.7 Ų71.762%0.6240%0.399SS*.G310 helixtrans-60.1-38.1177.7-171.2-85.2000111.8T226 Q227 W229H224-T226 VanDerWaalsContact C-N 3.3Å; H224-T226 PolarHBondContact O-N 3.03Å; H224-Q227 PolarHBondContact O-N 2.92Å; H224-Q227 VanDerWaalsContact O-O 3.1Å; H224-W229 AromaticContact CD2-NE1 3.83Å; H224-W229 AromaticContact NE2-CD1 3.88Å; H224-W229 AromaticContact NE2-NE1 3.79Å
225D88.5Confident93.2Very high154 Ų15473.4 Ų73.482%0.82441%0.407SS*.G310 helixtrans-70.2-21.5-176.7-57.4-27000114.4S223 Q227S223-D225 VanDerWaalsContact C-N 3.25Å; S223-D225 PolarHBondContact O-N 2.89Å; D225-Q227 VanDerWaalsContact C-N 3.27Å
226T89.3Confident92.4Very high70 Ų7077.1 Ų77.143%0.42945%0.446SS..G310 helixtrans-87.7-1177.752.90000112.6S223 H224 T246S223-T226 PolarHBondContact N-OG1 3.16Å; S223-T226 PolarHBondContact O-N 3.28Å; S223-T226 PolarHBondContact O-OG1 3.2Å; S223-T226 VanDerWaalsContact OG-CG2 3.29Å; S223-T226 WeakPolarHBondContact OG-CG2 3.2Å; S223-T226 PolarHBondContact OG-N 2.97Å; S223-T226 PolarHBondContact OG-OG1 2.92Å; H224-T226 VanDerWaalsContact C-N 3.3Å; H224-T226 PolarHBondContact O-N 3.03Å; T226-T246 PolarHBondContact O-OG1 3.35Å
227Q93.9Very high91.8Very high14 Ų1479.3 Ų79.37%0.06546%0.462CS..  trans-121.9146.3-175.9-67.1173.391.800110.7W215 L222 S223 H224 D225 W229 A245W215-Q227 HydrophobicContact CB-CG 4.48Å; L222-Q227 HydrophobicContact CB-CG 4.09Å; L222-Q227 PolarHBondContact O-NE2 3.35Å; S223-Q227 PolarHBondContact O-NE2 3.24Å; H224-Q227 PolarHBondContact O-N 2.92Å; H224-Q227 VanDerWaalsContact O-O 3.1Å; D225-Q227 VanDerWaalsContact C-N 3.27Å; Q227-W229 HydrophobicContact CB-CZ2 3.84Å; Q227-W229 HydrophobicContact CG-CZ2 4.35Å; Q227-A245 CarbonylContact C-O 3.49Å; Q227-A245 WeakPolarHBondContact CA-O 3.49Å
228Q94.9Very high91.1Very high108 Ų10878 Ų7851%0.50546%0.464SS..EExtended strand (participates in β ladder)trans-106.1140.9171.4-63.9174.12000108.7W243 A244 A245Q228-W243 HydrophobicContact CB-CH2 4.24Å; Q228-W243 HydrophobicContact CB-CZ3 3.96Å; Q228-A244 CarbonylContact O-C 3.46Å; Q228-A244 VanDerWaalsContact O-CA 3.28Å; Q228-A244 WeakPolarHBondContact O-CA 3.32Å; Q228-A245 HydrophobicContact CB-CB 4.44Å; Q228-A245 PolarHBondContact N-O 3.28Å; Q228-A245 PolarHBondContact O-N 3.38Å
229W95.2Very high91Very high86 Ų8673.9 Ų73.933%0.32644%0.443SS..EExtended strand (participates in β ladder)trans-129.6137.5-173.7-55.786.6000109.8L213 H224 Q227 A244L213-W229 HydrophobicContact CB-CZ3 4.07Å; L213-W229 WeakPolarHBondContact O-CH2 3.44Å; L213-W229 WeakPolarHBondContact O-CZ3 3.27Å; H224-W229 AromaticContact CD2-NE1 3.83Å; H224-W229 AromaticContact NE2-CD1 3.88Å; H224-W229 AromaticContact NE2-NE1 3.79Å; Q227-W229 HydrophobicContact CB-CZ2 3.84Å; Q227-W229 HydrophobicContact CG-CZ2 4.35Å; W229-A244 HydrophobicContact CD2-CB 4.23Å; W229-A244 HydrophobicContact CE3-CB 3.63Å; W229-A244 HydrophobicContact CH2-CB 4.1Å; W229-A244 HydrophobicContact CZ3-CB 3.57Å
230G93.2Very high91.1Very high14 Ų1474.3 Ų74.314%0.14443%0.43CS..  trans-88.6142.5163.500000110.4T242 W243G230-T242 PolarHBondContact O-OG1 3.23Å; G230-W243 PolarHBondContact N-O 3.24Å
231D94.1Very high91.1Very high137 Ų13772 Ų7273%0.73341%0.413SS*.  trans-53.1153.9166.6-66.9-43000110.9L233D231-L233 HydrophobicContact CB-CD2 4.13Å; D231-L233 HydrophobicContact CB-CG 4.5Å; D231-L233 PolarHBondContact O-N 3.17Å
232V94.4Very high91.3Very high52 Ų5269.4 Ų69.432%0.31539%0.394SS..  trans-77.3109.4171.7-176.20000108.1F206 Y240 Q241F206-V232 HydrophobicContact CE2-CG1 4.39Å; F206-V232 HydrophobicContact CZ-CG1 4.14Å; V232-Y240 HydrophobicContact CG1-CD1 4.04Å; V232-Y240 HydrophobicContact CG1-CG 4.14Å; V232-Q241 WeakPolarHBondContact CA-O 3.21Å
233L94.6Very high91.5Very high96 Ų9671.2 Ų71.250%0.50340%0.399SS..EExtended strand (participates in β ladder)trans-107145.5-175.1-60.8178000111.2D231 Y240 Q241D231-L233 HydrophobicContact CB-CD2 4.13Å; D231-L233 HydrophobicContact CB-CG 4.5Å; D231-L233 PolarHBondContact O-N 3.17Å; L233-Y240 CarbonylContact O-C 3.58Å; L233-Y240 VanDerWaalsContact O-CA 3.29Å; L233-Y240 WeakPolarHBondContact O-CA 3.47Å; L233-Q241 HydrophobicContact CB-CG 4.26Å; L233-Q241 PolarHBondContact N-O 3.28Å; L233-Q241 PolarHBondContact O-N 3.36Å
234P92.9Very high91.8Very high94 Ų9468.2 Ų68.261%0.6138%0.378SS*.EExtended strand (participates in β ladder)trans-73.2139.6174.730.1-33.8000111.9G236P234-G236 VanDerWaalsContact C-N 3.34Å
235D87.9Confident92.3Very high50 Ų5062 Ų6227%0.26735%0.349SS..  trans-84.4-5.1176.9-74.6-28.6000113.6G205 N237 T239 Q241G205-D235 PolarHBondContact N-OD2 2.77Å; G205-D235 VanDerWaalsContact N-OD2 3.1Å; D235-N237 VanDerWaalsContact C-N 3.27Å; D235-N237 WeakPolarHBondContact CB-OD1 3.4Å; D235-N237 PolarHBondContact O-N 3.21Å; D235-T239 WeakPolarHBondContact CB-OG1 3.3Å; D235-T239 PolarHBondContact N-O 3.14Å; D235-T239 PolarHBondContact OD2-OG1 3.32Å; D235-Q241 WeakPolarHBondContact OD1-CB 3.25Å; D235-Q241 VanDerWaalsContact OD1-CD 3.26Å; D235-Q241 VanDerWaalsContact OD1-CG 3.24Å; D235-Q241 WeakPolarHBondContact OD1-CG 3.26Å; D235-Q241 PolarHBondContact OD1-NE2 3.12Å
236G81.1Confident92.7Very high78 Ų7855 Ų5580%0.80431%0.313SS*.SBendtrans82.4-10.3179.700000115.6P234P234-G236 VanDerWaalsContact C-N 3.34Å
237N84.6Confident93Very high109 Ų10960.3 Ų60.358%0.58332%0.324SS*.SBendtrans-104.811.5174.864.6-3000113.1D235 T239D235-N237 VanDerWaalsContact C-N 3.27Å; D235-N237 WeakPolarHBondContact CB-OD1 3.4Å; D235-N237 PolarHBondContact O-N 3.21Å; N237-T239 PolarHBondContact OD1-N 3.09Å; N237-T239 PolarHBondContact OD1-OG1 2.61Å
238G82.5Confident93Very high31 Ų3159.9 Ų59.932%0.3232%0.323SS..SBendtrans88.76.6-17600000115.3
239T91.3Very high92.9Very high11 Ų1157.7 Ų57.77%0.06732%0.319CS..  trans-107.3176.8169.164.90000112G205 F206 D235 N237G205-T239 VanDerWaalsContact C-CB 3.49Å; G205-T239 WeakPolarHBondContact CA-OG1 3.31Å; F206-T239 CarbonylContact O-C 3.55Å; F206-T239 WeakPolarHBondContact O-CA 3.21Å; F206-T239 WeakPolarHBondContact O-CB 3.45Å; D235-T239 WeakPolarHBondContact CB-OG1 3.3Å; D235-T239 PolarHBondContact N-O 3.14Å; D235-T239 PolarHBondContact OD2-OG1 3.32Å; N237-T239 PolarHBondContact OD1-N 3.09Å; N237-T239 PolarHBondContact OD1-OG1 2.61Å
240Y94.4Very high92.7Very high55 Ų5559.1 Ų59.122%0.21633%0.329CS..EExtended strand (participates in β ladder)trans-125.4159.2-178.6-56.8-87.8000112S204 G205 F206 Y207 W209 V232 L233S204-Y240 CarbonylContact C-O 3.59Å; G205-Y240 PolarHBondContact N-O 2.93Å; F206-Y240 WeakPolarHBondContact CD1-O 3.48Å; F206-Y240 WeakPolarHBondContact CE1-O 3.43Å; F206-Y240 PolarHBondContact N-O 2.78Å; F206-Y240 WeakPolarHBondContact O-CD2 3.01Å; F206-Y240 PolarHBondContact O-N 3.46Å; Y207-Y240 AromaticContact CD2-CE2 3.91Å; Y207-Y240 HydrophobicContact CD2-CE2 3.91Å; Y207-Y240 HydrophobicContact CE2-CE2 4.38Å; W209-Y240 HydrophobicContact CB-CD1 4.32Å; W209-Y240 HydrophobicContact CB-CD2 3.95Å; W209-Y240 HydrophobicContact CB-CE1 4.1Å; W209-Y240 HydrophobicContact CB-CE2 3.72Å; W209-Y240 HydrophobicContact CB-CG 4.25Å; V232-Y240 HydrophobicContact CG1-CD1 4.04Å; V232-Y240 HydrophobicContact CG1-CG 4.14Å; L233-Y240 CarbonylContact O-C 3.58Å; L233-Y240 VanDerWaalsContact O-CA 3.29Å; L233-Y240 WeakPolarHBondContact O-CA 3.47Å
241Q96.5Very high92.5Very high57 Ų5761.5 Ų61.527%0.26635%0.353SS..EExtended strand (participates in β ladder)trans-133.2150.8170.666178.4-71.500111.8R202 A203 V232 L233 D235R202-Q241 VanDerWaalsContact NH1-OE1 3.13Å; A203-Q241 CarbonylContact O-C 3.59Å; A203-Q241 VanDerWaalsContact O-CA 3.28Å; A203-Q241 WeakPolarHBondContact O-CA 3.47Å; V232-Q241 WeakPolarHBondContact CA-O 3.21Å; L233-Q241 HydrophobicContact CB-CG 4.26Å; L233-Q241 PolarHBondContact N-O 3.28Å; L233-Q241 PolarHBondContact O-N 3.36Å; D235-Q241 WeakPolarHBondContact OD1-CB 3.25Å; D235-Q241 VanDerWaalsContact OD1-CD 3.26Å; D235-Q241 VanDerWaalsContact OD1-CG 3.24Å; D235-Q241 WeakPolarHBondContact OD1-CG 3.26Å; D235-Q241 PolarHBondContact OD1-NE2 3.12Å
242T97.6Very high92.4Very high10 Ų1057.9 Ų57.96%0.06133%0.332CS..EExtended strand (participates in β ladder)trans-155.8171.4172.5-174.70000109.8A203 F206 I211 G230A203-T242 HydrophobicContact CB-CG2 4.34Å; A203-T242 PolarHBondContact N-O 2.75Å; A203-T242 PolarHBondContact O-N 2.98Å; F206-T242 HydrophobicContact CE1-CG2 4.07Å; F206-T242 HydrophobicContact CZ-CG2 3.92Å; I211-T242 HydrophobicContact CG2-CG2 3.83Å; G230-T242 PolarHBondContact O-OG1 3.23Å
243W97.3Very high92.3Very high73 Ų7356.4 Ų56.428%0.27732%0.322SS..EExtended strand (participates in β ladder)trans-151.8154.917660-88.7000111.8T200 C201 R202 Q228 G230 A245T200-W243 HydrophobicContact CG2-CB 4.21Å; T200-W243 HydrophobicContact CG2-CD2 4.5Å; T200-W243 HydrophobicContact CG2-CE3 4.08Å; C201-W243 CarbonylContact O-C 3.6Å; C201-W243 WeakPolarHBondContact O-CA 3.4Å; C201-W243 WeakPolarHBondContact O-CB 3.38Å; R202-W243 HydrophobicContact CB-CB 4.23Å; R202-W243 HydrophobicContact CG-CB 4.36Å; Q228-W243 HydrophobicContact CB-CH2 4.24Å; Q228-W243 HydrophobicContact CB-CZ3 3.96Å; G230-W243 PolarHBondContact N-O 3.24Å; W243-A245 HydrophobicContact CE3-CB 3.99Å; W243-A245 HydrophobicContact CZ3-CB 3.73Å
244A97.3Very high92.2Very high0 Ų058.3 Ų58.30%033%0.328CS..EExtended strand (participates in β ladder)trans-130.1136.7172.300000109.4T200 C201 L213 W215 Q228 W229T200-A244 WeakPolarHBondContact CA-O 3.39Å; C201-A244 PolarHBondContact N-O 3.29Å; C201-A244 PolarHBondContact O-N 2.93Å; L213-A244 HydrophobicContact CB-CB 4.48Å; L213-A244 HydrophobicContact CD2-CB 3.78Å; L213-A244 HydrophobicContact CG-CB 4.18Å; W215-A244 PolarHBondContact NE1-O 3.05Å; Q228-A244 CarbonylContact O-C 3.46Å; Q228-A244 VanDerWaalsContact O-CA 3.28Å; Q228-A244 WeakPolarHBondContact O-CA 3.32Å; W229-A244 HydrophobicContact CD2-CB 4.23Å; W229-A244 HydrophobicContact CE3-CB 3.63Å; W229-A244 HydrophobicContact CH2-CB 4.1Å; W229-A244 HydrophobicContact CZ3-CB 3.57Å
245A96.9Very high92.3Very high2 Ų258.4 Ų58.42%0.01732%0.316CS..EExtended strand (participates in β ladder)trans-132.7150.8179.700000112.4T198 V199 T200 Q227 Q228 W243T198-A245 HydrophobicContact CG2-CB 4.19Å; V199-A245 CarbonylContact O-C 3.54Å; V199-A245 WeakPolarHBondContact O-CA 3.47Å; V199-A245 WeakPolarHBondContact O-CB 3.48Å; T200-A245 HydrophobicContact CG2-CB 4.21Å; Q227-A245 CarbonylContact C-O 3.49Å; Q227-A245 WeakPolarHBondContact CA-O 3.49Å; Q228-A245 HydrophobicContact CB-CB 4.44Å; Q228-A245 PolarHBondContact N-O 3.28Å; Q228-A245 PolarHBondContact O-N 3.38Å; W243-A245 HydrophobicContact CE3-CB 3.99Å; W243-A245 HydrophobicContact CZ3-CB 3.73Å
246T96.4Very high92.6Very high9 Ų956.4 Ų56.46%0.05531%0.305CS..EExtended strand (participates in β ladder)trans-146.9158.3171.6-168.30000110.5T198 V199 W215 L222 T226 I248T198-T246 WeakPolarHBondContact CA-O 3.2Å; V199-T246 HydrophobicContact CG2-CG2 3.72Å; V199-T246 WeakPolarHBondContact CG2-O 3.33Å; V199-T246 PolarHBondContact N-O 3.47Å; V199-T246 PolarHBondContact O-N 2.84Å; W215-T246 HydrophobicContact CB-CG2 3.98Å; W215-T246 HydrophobicContact CD2-CG2 3.9Å; W215-T246 HydrophobicContact CE3-CG2 4.5Å; W215-T246 HydrophobicContact CG-CG2 3.63Å; L222-T246 HydrophobicContact CD1-CG2 4.15Å; T226-T246 PolarHBondContact O-OG1 3.35Å; T246-I248 HydrophobicContact CG2-CG2 4.01Å
247R95Very high93.4Very high180 Ų18054 Ų5468%0.67928%0.275SS*.EExtended strand (participates in β ladder)trans-97.2132.1177-76.8-177.5177.3170.3-0.7109.4I197I197-R247 WeakPolarHBondContact O-CA 3.08Å
248I94.4Very high94Very high6 Ų648.9 Ų48.93%0.03125%0.248CC..EExtended strand (participates in β ladder)trans-133.8156.1-179.567.7175000110.5N196 I197 V199 T246 E253 F256N196-I248 WeakPolarHBondContact CA-O 3.35Å; I197-I248 HydrophobicContact CD1-CD1 4.11Å; I197-I248 HydrophobicContact CD1-CG1 4.02Å; I197-I248 HydrophobicContact CG1-CD1 4.21Å; I197-I248 HydrophobicContact CG1-CG1 3.56Å; I197-I248 PolarHBondContact N-O 2.93Å; I197-I248 PolarHBondContact O-N 3.46Å; V199-I248 HydrophobicContact CG1-CD1 3.67Å; V199-I248 HydrophobicContact CG1-CG1 4.13Å; V199-I248 HydrophobicContact CG2-CD1 4.19Å; V199-I248 HydrophobicContact CG2-CG1 4.46Å; V199-I248 HydrophobicContact CG2-CG2 4.28Å; T246-I248 HydrophobicContact CG2-CG2 4.01Å; I248-E253 HydrophobicContact CD1-CG 4.31Å; I248-F256 HydrophobicContact CB-CD2 4.08Å; I248-F256 HydrophobicContact CB-CE2 3.8Å; I248-F256 HydrophobicContact CB-CZ 4.04Å; I248-F256 HydrophobicContact CD1-CB 4.32Å; I248-F256 HydrophobicContact CD1-CD2 3.74Å; I248-F256 HydrophobicContact CD1-CE2 4.31Å; I248-F256 HydrophobicContact CD1-CG 4.11Å; I248-F256 HydrophobicContact CG2-CD1 3.68Å; I248-F256 HydrophobicContact CG2-CD2 3.76Å; I248-F256 HydrophobicContact CG2-CE1 3.48Å; I248-F256 VanDerWaalsContact CG2-CE1 3.48Å; I248-F256 HydrophobicContact CG2-CE2 3.59Å; I248-F256 HydrophobicContact CG2-CG 3.81Å; I248-F256 HydrophobicContact CG2-CZ 3.44Å; I248-F256 VanDerWaalsContact CG2-CZ 3.44Å
249C93.4Very high94.7Very high62 Ų6248.7 Ų48.742%0.41924%0.237SC..EExtended strand (participates in β ladder)trans-68.3136.8173.1-65.30000110G251 E252C249-G251 PolarHBondContact O-N 2.86Å; C249-E252 HydrophobicContact CB-CG 4.08Å; C249-E252 PolarHBondContact O-N 3.44Å; C249-E252 VanDerWaalsContact O-N 3.16Å
250Q91.2Very high95Very high115 Ų11548.5 Ų48.554%0.53724%0.236SC..THydrogen-bonded Turntrans-61.5132.3172.1-172.9176.723.700109.9G195G195-Q250 VanDerWaalsContact O-CB 3.3Å; G195-Q250 WeakPolarHBondContact O-CB 3.28Å; G195-Q250 PolarHBondContact O-N 2.9Å
251G88.7Confident95Very high64 Ų6449.1 Ų49.166%0.6624%0.241SC*.THydrogen-bonded Turntrans100-15.8-17400000113.9C249 E253C249-G251 PolarHBondContact O-N 2.86Å; G251-E253 WeakPolarHBondContact CA-OE2 3.5Å; G251-E253 PolarHBondContact N-OE2 2.92Å
252E92.3Very high94.9Very high61 Ų6146.7 Ų46.729%0.28523%0.23SC..  trans-96.38.2177.2-60-161123.200113.4C249 Q254 R255 F256C249-E252 HydrophobicContact CB-CG 4.08Å; C249-E252 PolarHBondContact O-N 3.44Å; C249-E252 VanDerWaalsContact O-N 3.16Å; E252-Q254 PolarHBondContact O-N 3.21Å; E252-R255 WeakPolarHBondContact O-CB 3.17Å; E252-R255 PolarHBondContact O-N 2.77Å; E252-R255 IonicContact OE1-CZ 3.89Å; E252-R255 IonicContact OE1-NH1 2.76Å; E252-R255 PolarHBondContact OE1-NH1 3.42Å; E252-F256 HydrophobicContact CB-CE2 4.09Å; E252-F256 WeakPolarHBondContact O-CD2 3.48Å
253E91.9Very high94.5Very high21 Ų2149.3 Ų49.310%0.09825%0.248CC..G310 helixtrans-53-37.9-171.9-65.6101.5140.700113.7R189 I197 I248 G251 R255 F256 V271R189-E253 IonicContact NH1-OE1 2.94Å; R189-E253 PolarHBondContact NH1-OE1 3.46Å; I197-E253 HydrophobicContact CD1-CG 3.59Å; I248-E253 HydrophobicContact CD1-CG 4.31Å; G251-E253 WeakPolarHBondContact CA-OE2 3.5Å; G251-E253 PolarHBondContact N-OE2 2.92Å; E253-R255 PolarHBondContact O-N 3.46Å; E253-F256 PolarHBondContact O-N 3.35Å; E253-F256 VanDerWaalsContact O-N 3.13Å; E253-V271 HydrophobicContact CB-CB 4.07Å; E253-V271 HydrophobicContact CB-CG1 3.85Å; E253-V271 HydrophobicContact CG-CG1 3.96Å
254Q92Very high94Very high137 Ų13748.8 Ų48.864%0.6427%0.265SS*.G310 helixtrans-67.6-20.3-179.1-68.6-65-30.800113.9E252 F256 S273E252-Q254 PolarHBondContact O-N 3.21Å; Q254-F256 VanDerWaalsContact C-N 3.28Å; Q254-S273 PolarHBondContact NE2-OG 3.22Å
255R95.1Very high93.8Very high95 Ų9553.2 Ų53.236%0.35829%0.289SS..G310 helixtrans-78.1-17.8176.1-61.5179.566-171.82.4111.9Q217 D218 E252 E253Q217-R255 CarbonylContact C-O 3.59Å; Q217-R255 WeakPolarHBondContact CA-O 3.44Å; Q217-R255 VanDerWaalsContact NE2-NH2 3.14Å; D218-R255 PolarHBondContact N-O 3Å; D218-R255 WeakPolarHBondContact OD1-CB 3.49Å; D218-R255 WeakPolarHBondContact OD1-CG 3.34Å; D218-R255 IonicContact OD1-NE 3.75Å; D218-R255 PolarHBondContact OD1-NE 2.82Å; D218-R255 IonicContact OD2-CZ 3.24Å; D218-R255 VanDerWaalsContact OD2-CZ 3.24Å; D218-R255 IonicContact OD2-NE 2.67Å; D218-R255 PolarHBondContact OD2-NE 2.99Å; D218-R255 IonicContact OD2-NH2 3.33Å; D218-R255 PolarHBondContact OD2-NH2 2.9Å; E252-R255 WeakPolarHBondContact O-CB 3.17Å; E252-R255 PolarHBondContact O-N 2.77Å; E252-R255 IonicContact OE1-CZ 3.89Å; E252-R255 IonicContact OE1-NH1 2.76Å; E252-R255 PolarHBondContact OE1-NH1 3.42Å; E253-R255 PolarHBondContact O-N 3.46Å
256F95.9Very high93.7Very high8 Ų858.1 Ų58.14%0.03531%0.311CS..EExtended strand (participates in β ladder)trans-104.7135.8-174.4-68.2-92.5000112W215 R216 Q217 L222 I248 E252 E253 Q254 V271W215-F256 HydrophobicContact CE3-CB 4.22Å; W215-F256 HydrophobicContact CZ3-CB 4.2Å; R216-F256 VanDerWaalsContact O-CA 3.32Å; R216-F256 WeakPolarHBondContact O-CA 3.47Å; Q217-F256 HydrophobicContact CB-CD1 4.11Å; Q217-F256 HydrophobicContact CB-CE1 3.74Å; Q217-F256 HydrophobicContact CB-CZ 4.17Å; Q217-F256 HydrophobicContact CG-CD1 4.48Å; Q217-F256 HydrophobicContact CG-CE1 3.92Å; Q217-F256 HydrophobicContact CG-CE2 4.3Å; Q217-F256 HydrophobicContact CG-CZ 3.81Å; L222-F256 HydrophobicContact CD1-CD1 4.15Å; L222-F256 HydrophobicContact CD1-CE1 4.01Å; I248-F256 HydrophobicContact CB-CD2 4.08Å; I248-F256 HydrophobicContact CB-CE2 3.8Å; I248-F256 HydrophobicContact CB-CZ 4.04Å; I248-F256 HydrophobicContact CD1-CB 4.32Å; I248-F256 HydrophobicContact CD1-CD2 3.74Å; I248-F256 HydrophobicContact CD1-CE2 4.31Å; I248-F256 HydrophobicContact CD1-CG 4.11Å; I248-F256 HydrophobicContact CG2-CD1 3.68Å; I248-F256 HydrophobicContact CG2-CD2 3.76Å; I248-F256 HydrophobicContact CG2-CE1 3.48Å; I248-F256 VanDerWaalsContact CG2-CE1 3.48Å; I248-F256 HydrophobicContact CG2-CE2 3.59Å; I248-F256 HydrophobicContact CG2-CG 3.81Å; I248-F256 HydrophobicContact CG2-CZ 3.44Å; I248-F256 VanDerWaalsContact CG2-CZ 3.44Å; E252-F256 HydrophobicContact CB-CE2 4.09Å; E252-F256 WeakPolarHBondContact O-CD2 3.48Å; E253-F256 PolarHBondContact O-N 3.35Å; E253-F256 VanDerWaalsContact O-N 3.13Å; Q254-F256 VanDerWaalsContact C-N 3.28Å; F256-V271 HydrophobicContact CB-CG2 3.96Å
257T97.2Very high93.7Very high29 Ų2959 Ų5918%0.17832%0.318CS..EExtended strand (participates in β ladder)trans-138144.3175.154.50000110.2R216 T268R216-T257 PolarHBondContact N-O 3.08Å; R216-T257 PolarHBondContact O-N 2.89Å; T257-T268 VanDerWaalsContact CB-CG2 3.49Å; T257-T268 HydrophobicContact CG2-CG2 3.86Å
258C97.4Very high93.7Very high0 Ų054.3 Ų54.30%031%0.31CS..EExtended strand (participates in β ladder)trans-88.8113.7169.4176.40000109V187 C201 S214 W215 T268 H269V187-C258 HydrophobicContact CG2-CB 4.31Å; C201-C258 HydrophobicContact CB-CB 3.55Å; C201-C258 WeakPolarHBondContact CB-SG 3.45Å; C201-C258 WeakPolarHBondContact SG-CB 3.47Å; C201-C258 CovalentContact SG-SG 2.03Å; C201-C258 PolarHBondContact SG-SG 2.88Å; S214-C258 CarbonylContact O-C 3.56Å; W215-C258 HydrophobicContact CE3-CB 4.43Å; W215-C258 HydrophobicContact CH2-CB 4.32Å; W215-C258 HydrophobicContact CZ3-CB 4.29Å; C258-T268 CarbonylContact O-C 3.54Å; C258-T268 WeakPolarHBondContact O-CA 3.47Å; C258-H269 HydrophobicContact CB-CB 4.31Å; C258-H269 PolarHBondContact N-O 2.95Å; C258-H269 PolarHBondContact O-N 2.98Å
259Y97.1Very high93.8Very high27 Ų2756.4 Ų56.411%0.10632%0.319CS..EExtended strand (participates in β ladder)trans-84.6137169.3174.1-99.1000109.8L213 S214 R216 E261 H266L213-Y259 CarbonylContact C-O 3.51Å; L213-Y259 WeakPolarHBondContact CA-O 3.21Å; S214-Y259 PolarHBondContact N-O 3.2Å; S214-Y259 PolarHBondContact O-N 2.85Å; R216-Y259 VanDerWaalsContact CZ-CD2 3.48Å; R216-Y259 VanDerWaalsContact NE-CB 3.25Å; R216-Y259 VanDerWaalsContact NH2-CD1 3.3Å; R216-Y259 VanDerWaalsContact NH2-CZ 3.34Å; Y259-E261 HydrophobicContact CE1-CB 4.01Å; Y259-E261 PolarHBondContact OH-OE2 3.13Å; Y259-H266 HydrophobicContact CE2-CB 4.26Å
260M96.6Very high93.9Very high7 Ų757.5 Ų57.53%0.03433%0.325CS..EExtended strand (participates in β ladder)trans-135.5135.4175.8-178.9-90.1-72.700110.1P183 V185 I211 T212 L213 H262 H266 S267P183-M260 HydrophobicContact CB-CE 4.37Å; P183-M260 HydrophobicContact CG-CE 3.31Å; P183-M260 HydrophobicContact CG-CG 4.49Å; P183-M260 HydrophobicContact CG-SD 3.66Å; V185-M260 HydrophobicContact CG2-CE 3.56Å; V185-M260 HydrophobicContact CG2-CG 4.5Å; I211-M260 HydrophobicContact CD1-CG 4.18Å; I211-M260 HydrophobicContact CG1-CG 4.35Å; T212-M260 CarbonylContact O-C 3.56Å; T212-M260 VanDerWaalsContact O-CA 3.31Å; T212-M260 WeakPolarHBondContact O-CA 3.37Å; L213-M260 HydrophobicContact CD1-CB 3.76Å; L213-M260 HydrophobicContact CD1-CG 3.84Å; M260-H262 HydrophobicContact SD-CB 3.71Å; M260-H266 CarbonylContact O-C 3.56Å; M260-H266 WeakPolarHBondContact O-CA 3.38Å; M260-S267 WeakPolarHBondContact CE-OG 3.26Å; M260-S267 PolarHBondContact N-O 2.63Å; M260-S267 PolarHBondContact O-N 3.11Å
261E95.8Very high94Very high69 Ų6952.1 Ų52.132%0.32230%0.3SS..EExtended strand (participates in β ladder)trans-126.4126.2168.9163.7-177.3-179.300109.4T212 Y259 N265 H266T212-E261 PolarHBondContact N-O 2.9Å; T212-E261 PolarHBondContact O-N 3.39Å; Y259-E261 HydrophobicContact CE1-CB 4.01Å; Y259-E261 PolarHBondContact OH-OE2 3.13Å; E261-N265 WeakPolarHBondContact CA-O 3.46Å; E261-H266 IonicContact OE1-NE2 3.89Å; E261-H266 IonicContact OE2-NE2 3.01Å
262H94.3Very high93.8Very high6 Ų652 Ų523%0.02829%0.288CS..EExtended strand (participates in β ladder)trans-143.9123.7176.7-178.2-102.6000110V181 P183 F206 Y207 P208 N210 I211 M260 G264 N265V181-H262 PolarHBondContact O-CE1 3.42Å; P183-H262 WeakPolarHBondContact CD-ND1 3.38Å; P183-H262 HydrophobicContact CG-CB 4.06Å; F206-H262 AromaticContact CD2-CD2 3.93Å; F206-H262 AromaticContact CD2-NE2 3.68Å; Y207-H262 VanDerWaalsContact C-CE1 3.49Å; Y207-H262 PolarHBondContact O-CE1 3.36Å; P208-H262 PolarHBondContact O-NE2 2.79Å; N210-H262 PolarHBondContact O-CD2 3.28Å; I211-H262 HydrophobicContact CD1-CB 4.45Å; I211-H262 HydrophobicContact CG1-CB 4.24Å; M260-H262 HydrophobicContact SD-CB 3.71Å; H262-G264 PolarHBondContact O-N 3.13Å; H262-N265 PolarHBondContact N-O 3.36Å; H262-N265 WeakPolarHBondContact O-CB 3.4Å; H262-N265 PolarHBondContact O-N 2.83Å
263S88.9Confident92.7Very high65 Ų6552.8 Ų52.846%0.45530%0.3SS..THydrogen-bonded Turntrans52.637.6179.3-50.60000114.3P208 N265P208-S263 WeakPolarHBondContact CD-OG 3.28Å; S263-N265 PolarHBondContact O-N 3.47Å
264G87.2Confident91.1Very high61 Ų6153.8 Ų53.863%0.62932%0.316SS*.THydrogen-bonded Turntrans76.70.7-177.300000115.2H262H262-G264 PolarHBondContact O-N 3.13Å
265N92.1Very high89Confident94 Ų9456.8 Ų56.850%0.50333%0.327SS..EExtended strand (participates in β ladder)trans-91.7128.7171.1-173.727.5000110.1E261 H262 S263E261-N265 WeakPolarHBondContact CA-O 3.46Å; H262-N265 PolarHBondContact N-O 3.36Å; H262-N265 WeakPolarHBondContact O-CB 3.4Å; H262-N265 PolarHBondContact O-N 2.83Å; S263-N265 PolarHBondContact O-N 3.47Å
266H95.3Very high86.5Confident104 Ų10455.5 Ų55.548%0.48133%0.329SS..EExtended strand (participates in β ladder)trans-111.8137.6-178.6-56.3169.5000110.1Y259 M260 E261Y259-H266 HydrophobicContact CE2-CB 4.26Å; M260-H266 CarbonylContact O-C 3.56Å; M260-H266 WeakPolarHBondContact O-CA 3.38Å; E261-H266 IonicContact OE1-NE2 3.89Å; E261-H266 IonicContact OE2-NE2 3.01Å
267S95.8Very high83.8Confident29 Ų2963.3 Ų63.320%0.20337%0.371CS..EExtended strand (participates in β ladder)trans-148.9157.3176.155.10000111.7M260 H269M260-S267 WeakPolarHBondContact CE-OG 3.26Å; M260-S267 PolarHBondContact N-O 2.63Å; M260-S267 PolarHBondContact O-N 3.11Å; S267-H269 PolarHBondContact OG-NE2 2.78Å
268T96.4Very high80.8Confident81 Ų8166.1 Ų66.150%0.49739%0.387SS..EExtended strand (participates in β ladder)trans-130.4126.5-176.3-58.90000108.6T257 C258T257-T268 VanDerWaalsContact CB-CG2 3.49Å; T257-T268 HydrophobicContact CG2-CG2 3.86Å; C258-T268 CarbonylContact O-C 3.54Å; C258-T268 WeakPolarHBondContact O-CA 3.47Å
269H96.2Very high77.9Confident49 Ų4974.2 Ų74.223%0.22743%0.43CS..EExtended strand (participates in β ladder)trans-117116.2-175.7-56.9-86.4000110.1V185 V187 C258 S267V185-H269 HydrophobicContact CG1-CB 4.32Å; V185-H269 VanDerWaalsContact CG1-CD2 3.49Å; V185-H269 WeakPolarHBondContact CG1-CD2 3.29Å; V187-H269 HydrophobicContact CG2-CB 3.69Å; C258-H269 HydrophobicContact CB-CB 4.31Å; C258-H269 PolarHBondContact N-O 2.95Å; C258-H269 PolarHBondContact O-N 2.98Å; S267-H269 PolarHBondContact OG-NE2 2.78Å
270P95.1Very high74.9Confident85 Ų8579.8 Ų79.855%0.55246%0.457SS*.EExtended strand (participates in β ladder)trans-73.5156.6-179.530.7-34.8000112
271V92.7Very high72Confident3 Ų382.3 Ų82.32%0.01848%0.475CS..PPolyproline II helixtrans-69.4126.3170.8-178.60000109.3V199 W215 E253 F256 S273V199-V271 HydrophobicContact CB-CG2 4.39Å; V199-V271 HydrophobicContact CG1-CG1 3.71Å; V199-V271 HydrophobicContact CG1-CG2 4Å; W215-V271 HydrophobicContact CH2-CG2 3.81Å; W215-V271 HydrophobicContact CZ3-CG2 3.54Å; E253-V271 HydrophobicContact CB-CB 4.07Å; E253-V271 HydrophobicContact CB-CG1 3.85Å; E253-V271 HydrophobicContact CG-CG1 3.96Å; F256-V271 HydrophobicContact CB-CG2 3.96Å; V271-S273 PolarHBondContact O-N 3.34Å
272P85.7Confident69.2Low61 Ų6185.6 Ų85.640%0.39649%0.49SS..PPolyproline II helixtrans-63.3126.3179.223.2-31.1000110.9V187V187-P272 WeakPolarHBondContact O-CG 3.38Å
273S67.4Low66.8Low77 Ų7794.6 Ų94.654%0.53852%0.524SS..  trans-93.699.2175-69.10000109.9Q254 V271Q254-S273 PolarHBondContact NE2-OG 3.22Å; V271-S273 PolarHBondContact O-N 3.34Å
274G59.8Low64.6Low42 Ų4298.4 Ų98.443%0.43354%0.535SS..SBendtrans168.2141178.700000113.2R189 V276R189-G274 PolarHBondContact NE-O 2.91Å; R189-G274 PolarHBondContact NH2-O 3.36Å; G274-V276 PolarHBondContact O-N 3.47Å
275K47.1Very low62.7Low201 Ų201100 Ų10087%0.87453%0.533SS*.  trans-43.2138178.6-75-178.9176.61800110.3L277K275-L277 PolarHBondContact O-N 3.32Å
276V43.5Very low60.9Low67 Ų67102.2 Ų102.241%0.40654%0.538SS..  trans-39.1115.2173.3-179.10000108E191 G274 V278E191-V276 HydrophobicContact CG-CG2 4.33Å; G274-V276 PolarHBondContact O-N 3.47Å; V276-V278 HydrophobicContact CB-CG2 4.14Å; V276-V278 HydrophobicContact CG1-CG2 3.65Å; V276-V278 PolarHBondContact O-N 2.84Å
277L37.7Very low58.9Low173 Ų173103.2 Ų103.291%0.90654%0.543SS*.  trans-68.480.8160.4-93162.2000104.6K275 L279K275-L277 PolarHBondContact O-N 3.32Å; L277-L279 PolarHBondContact O-N 2.72Å
278V34.9Very low57.1Low87 Ų87107 Ų10753%0.52756%0.564SS.*  trans-59.2113.2161.5-175.40000102.1V276 Q280V276-V278 HydrophobicContact CB-CG2 4.14Å; V276-V278 HydrophobicContact CG1-CG2 3.65Å; V276-V278 PolarHBondContact O-N 2.84Å; V278-Q280 HydrophobicContact CB-CB 4.44Å; V278-Q280 HydrophobicContact CG1-CB 3.99Å; V278-Q280 HydrophobicContact CG1-CG 4.25Å; V278-Q280 PolarHBondContact O-N 2.92Å
279L37.1Very low55.3Low170 Ų170106.3 Ų106.389%0.8956%0.562SS**  trans-66.477.5158.6-141126.4000103.9L277 S281L277-L279 PolarHBondContact O-N 2.72Å; L279-S281 VanDerWaalsContact C-N 3.27Å; L279-S281 PolarHBondContact O-N 3.31Å
280Q32.4Very low53.8Low145 Ų145106.8 Ų106.868%0.67858%0.575SS**  trans-66.8101.7-177.5-154.2176.9300102.3V278 H282V278-Q280 HydrophobicContact CB-CB 4.44Å; V278-Q280 HydrophobicContact CG1-CB 3.99Å; V278-Q280 HydrophobicContact CG1-CG 4.25Å; V278-Q280 PolarHBondContact O-N 2.92Å; Q280-H282 PolarHBondContact O-CD2 2.83Å; Q280-H282 PolarHBondContact O-N 2.95Å
281S36.4Very low52.6Low59 Ų59107.4 Ų107.441%0.41358%0.577SS.*  trans-52.1106.5-179.656.80000106.5L279 W283 Q284L279-S281 VanDerWaalsContact C-N 3.27Å; L279-S281 PolarHBondContact O-N 3.31Å; S281-W283 PolarHBondContact O-N 2.96Å; S281-Q284 PolarHBondContact O-N 3.41Å
282H38Very low51.6Low138 Ų138110.1 Ų110.164%0.63960%0.6SS**THydrogen-bonded Turntrans-56.1-8.6-179.9-85.8-106.1000112.5Q280 Q284 T285 F286Q280-H282 PolarHBondContact O-CD2 2.83Å; Q280-H282 PolarHBondContact O-N 2.95Å; H282-Q284 VanDerWaalsContact C-N 3.32Å; H282-Q284 PolarHBondContact O-N 3.39Å; H282-T285 PolarHBondContact O-N 2.66Å; H282-T285 PolarHBondContact O-OG1 3.26Å; H282-T285 VanDerWaalsContact O-OG1 3.11Å; H282-F286 HydrophobicContact CB-CD2 4.41Å; H282-F286 HydrophobicContact CB-CE2 4.22Å; H282-F286 WeakPolarHBondContact O-CD2 3.35Å; H282-F286 PolarHBondContact O-N 3.12Å
283W42.8Very low51.1Low196 Ų196110.2 Ų110.274%0.74261%0.606SS**Hα-helixtrans-57.2-33.3176.2-60.982.5000114.2S281 H287S281-W283 PolarHBondContact O-N 2.96Å; W283-H287 PolarHBondContact O-CD2 3.35Å; W283-H287 PolarHBondContact O-N 3.06Å
284Q43.4Very low51.5Low144 Ų144109.5 Ų109.567%0.67361%0.605SS**Hα-helixtrans-74.5-33.8-178.9-80.8173.7-24.700113.6S281 H282 V288S281-Q284 PolarHBondContact O-N 3.41Å; H282-Q284 VanDerWaalsContact C-N 3.32Å; H282-Q284 PolarHBondContact O-N 3.39Å; Q284-V288 WeakPolarHBondContact O-CG2 3.14Å
285T47.2Very low52.5Low96 Ų96110.4 Ų110.459%0.58961%0.608SS**Hα-helixtrans-76.3-30.9178.530.20000112.9H282 S289H282-T285 PolarHBondContact O-N 2.66Å; H282-T285 PolarHBondContact O-OG1 3.26Å; H282-T285 VanDerWaalsContact O-OG1 3.11Å; T285-S289 PolarHBondContact O-N 2.97Å; T285-S289 PolarHBondContact O-OG 3.42Å
286F53.5Low54.1Low139 Ų139103.8 Ų103.861%0.6159%0.591SS**Hα-helixtrans-69.3-37.9174.4-78.9-70000112.9H282 S289 A290H282-F286 HydrophobicContact CB-CD2 4.41Å; H282-F286 HydrophobicContact CB-CE2 4.22Å; H282-F286 WeakPolarHBondContact O-CD2 3.35Å; H282-F286 PolarHBondContact O-N 3.12Å; F286-S289 PolarHBondContact O-OG 2.92Å; F286-S289 VanDerWaalsContact O-OG 3.12Å; F286-A290 VanDerWaalsContact O-CB 3.25Å; F286-A290 WeakPolarHBondContact O-CB 3.37Å; F286-A290 PolarHBondContact O-N 3.46Å
287H54.5Low56.1Low126 Ų126103 Ų10358%0.58359%0.592SS**Hα-helixtrans-67.3-42.7178.5-80.1-63.5000112.7W283 V291W283-H287 PolarHBondContact O-CD2 3.35Å; W283-H287 PolarHBondContact O-N 3.06Å; H287-V291 WeakPolarHBondContact O-CB 3.38Å; H287-V291 WeakPolarHBondContact O-CG2 3.39Å; H287-V291 PolarHBondContact O-N 3.15Å
288V57Low58.3Low107 Ų10797.6 Ų97.665%0.64857%0.571SS**Hα-helixtrans-67.4-41-179-179.70000111.4Q284 A292Q284-V288 WeakPolarHBondContact O-CG2 3.14Å; V288-A292 WeakPolarHBondContact O-CB 3.46Å; V288-A292 PolarHBondContact O-N 3.47Å
289S59.8Low60.7Low67 Ų6796.1 Ų96.147%0.46957%0.569SS.*Hα-helixtrans-68.9-41178.251.80000112.8T285 F286 A292 A293T285-S289 PolarHBondContact O-N 2.97Å; T285-S289 PolarHBondContact O-OG 3.42Å; F286-S289 PolarHBondContact O-OG 2.92Å; F286-S289 VanDerWaalsContact O-OG 3.12Å; S289-A292 PolarHBondContact O-N 2.85Å; S289-A293 WeakPolarHBondContact O-CB 3.34Å; S289-A293 PolarHBondContact O-N 2.82Å
290A64.9Low63.1Low59 Ų5990.5 Ų90.549%0.48855%0.547SS..Hα-helixtrans-66.5-40.6176.400000112.6F286 A293 A294F286-A290 VanDerWaalsContact O-CB 3.25Å; F286-A290 WeakPolarHBondContact O-CB 3.37Å; F286-A290 PolarHBondContact O-N 3.46Å; A290-A293 PolarHBondContact O-N 2.91Å; A290-A294 WeakPolarHBondContact O-CB 3.27Å; A290-A294 PolarHBondContact O-N 3.44Å
291V69.2Low65.6Low98 Ų9888.3 Ų88.359%0.59454%0.539SS*.Hα-helixtrans-66.3-40.8176.6172.10000111.1H287 A294 A295H287-V291 WeakPolarHBondContact O-CB 3.38Å; H287-V291 WeakPolarHBondContact O-CG2 3.39Å; H287-V291 PolarHBondContact O-N 3.15Å; V291-A294 PolarHBondContact O-N 2.98Å; V291-A295 WeakPolarHBondContact O-CB 3.23Å; V291-A295 PolarHBondContact O-N 3.19Å
292A72Confident68Low61 Ų6191.9 Ų91.950%0.50455%0.547SS..Hα-helixtrans-63.6-42.2175.700000112.2V288 S289 A295 A296V288-A292 WeakPolarHBondContact O-CB 3.46Å; V288-A292 PolarHBondContact O-N 3.47Å; S289-A292 PolarHBondContact O-N 2.85Å; A292-A295 PolarHBondContact O-N 3.44Å; A292-A296 WeakPolarHBondContact O-CB 3.32Å; A292-A296 PolarHBondContact O-N 2.91Å
293A75.1Confident70.3Confident63 Ų6389.9 Ų89.952%0.52154%0.544SS..Hα-helixtrans-65.6-42176.600000112.3S289 A290 A296 A297S289-A293 WeakPolarHBondContact O-CB 3.34Å; S289-A293 PolarHBondContact O-N 2.82Å; A290-A293 PolarHBondContact O-N 2.91Å; A293-A296 PolarHBondContact O-N 3.46Å; A293-A297 WeakPolarHBondContact O-CB 3.48Å; A293-A297 PolarHBondContact O-N 3.11Å
294A76.2Confident72.4Confident62 Ų6286 Ų8651%0.51254%0.537SS..Hα-helixtrans-64.5-40.8176.400000112.1A290 V291 A297 A298A290-A294 WeakPolarHBondContact O-CB 3.27Å; A290-A294 PolarHBondContact O-N 3.44Å; V291-A294 PolarHBondContact O-N 2.98Å; A294-A297 PolarHBondContact O-N 3.11Å; A294-A298 WeakPolarHBondContact O-CB 3.47Å; A294-A298 PolarHBondContact O-N 2.87Å
295A79.3Confident74.4Confident60 Ų6083.5 Ų83.550%0.49653%0.527SS..Hα-helixtrans-64.1-41.8175.800000112V291 A292 A298 A299V291-A295 WeakPolarHBondContact O-CB 3.23Å; V291-A295 PolarHBondContact O-N 3.19Å; A292-A295 PolarHBondContact O-N 3.44Å; A295-A298 PolarHBondContact O-N 3.11Å; A295-A299 WeakPolarHBondContact O-CB 3.49Å; A295-A299 PolarHBondContact O-N 2.99Å
296A81.9Confident76.2Confident63 Ų6382.9 Ų82.952%0.52152%0.519SS..Hα-helixtrans-64.5-41.817600000112.2A292 A293 A299 A300A292-A296 WeakPolarHBondContact O-CB 3.32Å; A292-A296 PolarHBondContact O-N 2.91Å; A293-A296 PolarHBondContact O-N 3.46Å; A296-A299 PolarHBondContact O-N 3.26Å; A296-A300 PolarHBondContact O-N 3.12Å
297A84.1Confident77.7Confident51 Ų5183 Ų8342%0.42152%0.52SS..Hα-helixtrans-64-43.4176.100000111.9A293 A294 A299 A300 I301A293-A297 WeakPolarHBondContact O-CB 3.48Å; A293-A297 PolarHBondContact O-N 3.11Å; A294-A297 PolarHBondContact O-N 3.11Å; A297-A299 VanDerWaalsContact C-N 3.35Å; A297-A299 PolarHBondContact O-N 3.49Å; A297-A300 PolarHBondContact O-N 3.24Å; A297-I301 VanDerWaalsContact O-CG1 3.31Å; A297-I301 WeakPolarHBondContact O-CG1 3.27Å; A297-I301 PolarHBondContact O-N 3Å
298A84Confident79Confident58 Ų5884.7 Ų84.748%0.47952%0.522SS..Hα-helixtrans-62.1-41.6176.300000112A294 A295 I301 F302A294-A298 WeakPolarHBondContact O-CB 3.47Å; A294-A298 PolarHBondContact O-N 2.87Å; A295-A298 PolarHBondContact O-N 3.11Å; A298-I301 PolarHBondContact O-N 3.49Å; A298-F302 WeakPolarHBondContact O-CB 3.44Å; A298-F302 PolarHBondContact O-N 3.45Å
299A85.8Confident80.1Confident57 Ų5783 Ų8347%0.47151%0.512SS..Hα-helixtrans-62.9-42.9175.700000112.1A295 A296 A297 F302 V303A295-A299 WeakPolarHBondContact O-CB 3.49Å; A295-A299 PolarHBondContact O-N 2.99Å; A296-A299 PolarHBondContact O-N 3.26Å; A297-A299 VanDerWaalsContact C-N 3.35Å; A297-A299 PolarHBondContact O-N 3.49Å; A299-F302 PolarHBondContact O-N 3.27Å; A299-V303 WeakPolarHBondContact O-CG2 3.19Å; A299-V303 PolarHBondContact O-N 3.46Å
300A86.8Confident80.9Confident52 Ų5283.2 Ų83.243%0.4351%0.513SS..Hα-helixtrans-62.9-43.817700000112.1A296 A297 F302 V303 I304A296-A300 PolarHBondContact O-N 3.12Å; A297-A300 PolarHBondContact O-N 3.24Å; A300-F302 VanDerWaalsContact C-N 3.31Å; A300-F302 PolarHBondContact O-N 3.12Å; A300-V303 PolarHBondContact O-N 3.46Å; A300-I304 WeakPolarHBondContact O-CG1 3.48Å; A300-I304 PolarHBondContact O-N 3.18Å
301I86.4Confident81.3Confident99 Ų9983.1 Ų83.151%0.50851%0.508SS..Hα-helixtrans-61.1-42.7175.8-67.7166.1000110.5A297 A298 V303 I304 I305A297-I301 VanDerWaalsContact O-CG1 3.31Å; A297-I301 WeakPolarHBondContact O-CG1 3.27Å; A297-I301 PolarHBondContact O-N 3Å; A298-I301 PolarHBondContact O-N 3.49Å; I301-V303 VanDerWaalsContact C-N 3.34Å; I301-V303 PolarHBondContact O-N 3.16Å; I301-I304 PolarHBondContact O-N 3.06Å; I301-I305 HydrophobicContact CG2-CD1 3.78Å; I301-I305 HydrophobicContact CG2-CG1 4.34Å; I301-I305 WeakPolarHBondContact O-CG1 3.49Å; I301-I305 PolarHBondContact O-N 3.35Å
302F86.1Confident81.3Confident133 Ų13381 Ų8158%0.58350%0.497SS*.Hα-helixtrans-61.9-41.3178.7-166.1-104.7000112.3A298 A299 A300 I305 I306A298-F302 WeakPolarHBondContact O-CB 3.44Å; A298-F302 PolarHBondContact O-N 3.45Å; A299-F302 PolarHBondContact O-N 3.27Å; A300-F302 VanDerWaalsContact C-N 3.31Å; A300-F302 PolarHBondContact O-N 3.12Å; F302-I305 PolarHBondContact O-N 2.84Å; F302-I306 HydrophobicContact CD1-CD1 3.63Å; F302-I306 HydrophobicContact CD1-CG1 4.4Å; F302-I306 HydrophobicContact CE1-CD1 3.36Å; F302-I306 HydrophobicContact CE1-CG1 4.24Å; F302-I306 HydrophobicContact CZ-CD1 4.1Å; F302-I306 WeakPolarHBondContact O-CG1 3.11Å; F302-I306 PolarHBondContact O-N 3.39Å
303V86.6Confident80.9Confident96 Ų9685.3 Ų85.358%0.58250%0.504SS*.Hα-helixtrans-63.6-42174.9173.80000111.4A299 A300 I301 I306 F307A299-V303 WeakPolarHBondContact O-CG2 3.19Å; A299-V303 PolarHBondContact O-N 3.46Å; A300-V303 PolarHBondContact O-N 3.46Å; I301-V303 VanDerWaalsContact C-N 3.34Å; I301-V303 PolarHBondContact O-N 3.16Å; V303-I306 PolarHBondContact O-N 2.89Å; V303-F307 WeakPolarHBondContact O-CB 3.26Å; V303-F307 PolarHBondContact O-N 3.21Å
304I87.2Confident80.1Confident115 Ų11590.1 Ų90.159%0.5951%0.513SS*.Hα-helixtrans-62.9-43.1176.7-67.3166.8000110.8A300 I301 F307 Y308A300-I304 WeakPolarHBondContact O-CG1 3.48Å; A300-I304 PolarHBondContact O-N 3.18Å; I301-I304 PolarHBondContact O-N 3.06Å; I304-F307 PolarHBondContact O-N 3.07Å; I304-Y308 WeakPolarHBondContact O-CB 3.47Å; I304-Y308 PolarHBondContact O-N 3.24Å
305I85.5Confident79.1Confident92 Ų9295.4 Ų95.447%0.47253%0.525SS..Hα-helixtrans-62.6-45.7177.2-68.6168.8000110.5I301 F302 F307 Y308 V309I301-I305 HydrophobicContact CG2-CD1 3.78Å; I301-I305 HydrophobicContact CG2-CG1 4.34Å; I301-I305 WeakPolarHBondContact O-CG1 3.49Å; I301-I305 PolarHBondContact O-N 3.35Å; F302-I305 PolarHBondContact O-N 2.84Å; I305-F307 VanDerWaalsContact C-N 3.33Å; I305-F307 PolarHBondContact O-N 2.89Å; I305-Y308 PolarHBondContact O-N 3.28Å; I305-V309 HydrophobicContact CG2-CG2 4.29Å; I305-V309 WeakPolarHBondContact O-CB 3.37Å; I305-V309 VanDerWaalsContact O-CG2 3.28Å; I305-V309 WeakPolarHBondContact O-CG2 3.49Å; I305-V309 PolarHBondContact O-N 3.46Å
306I84.5Confident77.8Confident82 Ų8297.2 Ų97.242%0.42153%0.53SS..Hα-helixtrans-59.4-46.5176-72.3172.8000110.5F302 V303 Y308 V309 C310F302-I306 HydrophobicContact CD1-CD1 3.63Å; F302-I306 HydrophobicContact CD1-CG1 4.4Å; F302-I306 HydrophobicContact CE1-CD1 3.36Å; F302-I306 HydrophobicContact CE1-CG1 4.24Å; F302-I306 HydrophobicContact CZ-CD1 4.1Å; F302-I306 WeakPolarHBondContact O-CG1 3.11Å; F302-I306 PolarHBondContact O-N 3.39Å; V303-I306 PolarHBondContact O-N 2.89Å; I306-Y308 VanDerWaalsContact C-N 3.34Å; I306-Y308 PolarHBondContact O-N 3.12Å; I306-V309 PolarHBondContact O-N 2.93Å; I306-C310 WeakPolarHBondContact O-CB 3.46Å; I306-C310 PolarHBondContact O-N 3.42Å; I306-C310 PolarHBondContact O-SG 2.94Å; I306-C310 VanDerWaalsContact O-SG 3.32Å
307F85Confident76.4Confident143 Ų14398.4 Ų98.463%0.62753%0.534SS*.Hα-helixtrans-60.4-45.4179.1-168.5-93.9000111.3V303 I304 I305 C310 C311V303-F307 WeakPolarHBondContact O-CB 3.26Å; V303-F307 PolarHBondContact O-N 3.21Å; I304-F307 PolarHBondContact O-N 3.07Å; I305-F307 VanDerWaalsContact C-N 3.33Å; I305-F307 PolarHBondContact O-N 2.89Å; F307-C310 PolarHBondContact O-N 2.83Å; F307-C311 VanDerWaalsContact CE1-SG 3.57Å; F307-C311 WeakPolarHBondContact O-CB 3.41Å; F307-C311 PolarHBondContact O-N 3.39Å; F307-C311 PolarHBondContact O-SG 3.3Å; F307-C311 VanDerWaalsContact O-SG 3.35Å
308Y81.3Confident74.9Confident160 Ų160100.2 Ų100.263%0.62755%0.549SS*.Hα-helixtrans-60.7-47.2176.3-173.5-96.9000112I304 I305 I306 C310 C311 C312I304-Y308 WeakPolarHBondContact O-CB 3.47Å; I304-Y308 PolarHBondContact O-N 3.24Å; I305-Y308 PolarHBondContact O-N 3.28Å; I306-Y308 VanDerWaalsContact C-N 3.34Å; I306-Y308 PolarHBondContact O-N 3.12Å; Y308-C310 PolarHBondContact O-N 3.08Å; Y308-C311 PolarHBondContact O-N 3.06Å; Y308-C312 VanDerWaalsContact CE1-SG 3.53Å; Y308-C312 WeakPolarHBondContact O-CB 3.27Å; Y308-C312 PolarHBondContact O-N 3.48Å; Y308-C312 PolarHBondContact O-SG 3.5Å; Y308-C312 VanDerWaalsContact O-SG 3.36Å
309V80.3Confident73.3Confident71 Ų71101.4 Ų101.443%0.4356%0.559SS.*Hα-helixtrans-63-41.4177.7171.40000111.5I305 I306 C312 K313I305-V309 HydrophobicContact CG2-CG2 4.29Å; I305-V309 WeakPolarHBondContact O-CB 3.37Å; I305-V309 VanDerWaalsContact O-CG2 3.28Å; I305-V309 WeakPolarHBondContact O-CG2 3.49Å; I305-V309 PolarHBondContact O-N 3.46Å; I306-V309 PolarHBondContact O-N 2.93Å; V309-C312 PolarHBondContact O-N 3.43Å; V309-K313 WeakPolarHBondContact O-CB 3.29Å; V309-K313 PolarHBondContact O-N 2.87Å
310C76.6Confident71.6Confident73 Ų73107.2 Ų107.249%0.49358%0.576SS.*Hα-helixtrans-64.4-40.3175.4-74.70000112.2I306 F307 Y308 K313 K314I306-C310 WeakPolarHBondContact O-CB 3.46Å; I306-C310 PolarHBondContact O-N 3.42Å; I306-C310 PolarHBondContact O-SG 2.94Å; I306-C310 VanDerWaalsContact O-SG 3.32Å; F307-C310 PolarHBondContact O-N 2.83Å; Y308-C310 PolarHBondContact O-N 3.08Å; C310-K313 PolarHBondContact O-N 2.85Å; C310-K314 PolarHBondContact O-N 3.43Å
311C74.4Confident69Low57 Ų57108.2 Ų108.239%0.38559%0.592SS.*Hα-helixtrans-66.7-40.2174.4-75.40000112.3F307 Y308 K314 K315F307-C311 VanDerWaalsContact CE1-SG 3.57Å; F307-C311 WeakPolarHBondContact O-CB 3.41Å; F307-C311 PolarHBondContact O-N 3.39Å; F307-C311 PolarHBondContact O-SG 3.3Å; F307-C311 VanDerWaalsContact O-SG 3.35Å; Y308-C311 PolarHBondContact O-N 3.06Å; C311-K314 PolarHBondContact O-N 2.92Å; C311-K315 PolarHBondContact O-N 3.02Å; C311-K315 VanDerWaalsContact O-N 3.12Å
312C67.7Low66.9Low53 Ų53113.4 Ų113.436%0.35863%0.632SS.*Hα-helixtrans-65.5-42.1174.6-73.20000111.8Y308 V309 K314 K315 T316Y308-C312 VanDerWaalsContact CE1-SG 3.53Å; Y308-C312 WeakPolarHBondContact O-CB 3.27Å; Y308-C312 PolarHBondContact O-N 3.48Å; Y308-C312 PolarHBondContact O-SG 3.5Å; Y308-C312 VanDerWaalsContact O-SG 3.36Å; V309-C312 PolarHBondContact O-N 3.43Å; C312-K314 PolarHBondContact O-N 2.99Å; C312-K315 PolarHBondContact O-N 2.86Å; C312-K315 VanDerWaalsContact O-N 3.17Å; C312-T316 PolarHBondContact O-N 3.38Å; C312-T316 VanDerWaalsContact O-N 3.13Å; C312-T316 PolarHBondContact O-OG1 3.16Å
313K63.6Low65.9Low152 Ų152112.5 Ų112.566%0.66164%0.635SS**Hα-helixtrans-63.2-37.8175-86.2-170.5168.3-176.50113.1V309 C310 K315 T316 S317V309-K313 WeakPolarHBondContact O-CB 3.29Å; V309-K313 PolarHBondContact O-N 2.87Å; C310-K313 PolarHBondContact O-N 2.85Å; K313-K315 VanDerWaalsContact C-N 3.33Å; K313-T316 WeakPolarHBondContact CA-OG1 3.4Å; K313-T316 PolarHBondContact O-N 3.28Å; K313-T316 PolarHBondContact O-OG1 2.82Å; K313-S317 PolarHBondContact O-N 3.32Å; K313-S317 VanDerWaalsContact O-N 3.14Å
314K58.9Low64.8Low164 Ų164113.3 Ų113.371%0.71364%0.638SS**Hα-helixtrans-67.3-29.5173.6-88.4-173.9173.7-177.70113.4C310 C311 C312 S317C310-K314 PolarHBondContact O-N 3.43Å; C311-K314 PolarHBondContact O-N 2.92Å; C312-K314 PolarHBondContact O-N 2.99Å; K314-S317 PolarHBondContact O-OG 3.2Å
315K55.3Low63.6Low173 Ų173113.2 Ų113.275%0.75264%0.64SS**Hα-helixtrans-74.6-33.3174.4-83.7-175.1173.5-178.10112.7C311 C312 K313C311-K315 PolarHBondContact O-N 3.02Å; C311-K315 VanDerWaalsContact O-N 3.12Å; C312-K315 PolarHBondContact O-N 2.86Å; C312-K315 VanDerWaalsContact O-N 3.17Å; K313-K315 VanDerWaalsContact C-N 3.33Å
316T52.8Low62.3Low98 Ų98114.5 Ų114.560%0.60165%0.65SS**Hα-helixtrans-74.7-29.7174.741.20000113.4C312 K313 A318 A319C312-T316 PolarHBondContact O-N 3.38Å; C312-T316 VanDerWaalsContact O-N 3.13Å; C312-T316 PolarHBondContact O-OG1 3.16Å; K313-T316 WeakPolarHBondContact CA-OG1 3.4Å; K313-T316 PolarHBondContact O-N 3.28Å; K313-T316 PolarHBondContact O-OG1 2.82Å; T316-A318 VanDerWaalsContact C-N 3.28Å; T316-A318 PolarHBondContact O-N 3.07Å; T316-A319 PolarHBondContact O-N 2.71Å
317S52Low60.9Low87 Ų87116.5 Ų116.561%0.60867%0.665SS**THydrogen-bonded Turntrans-78.4-7.9175.871.50000114.4K313 K314K313-S317 PolarHBondContact O-N 3.32Å; K313-S317 VanDerWaalsContact O-N 3.14Å; K314-S317 PolarHBondContact O-OG 3.2Å
318A52.3Low59.3Low89 Ų89114.7 Ų114.774%0.73667%0.667SS**THydrogen-bonded Turntrans-97.2-1.1174.800000112.8T316T316-A318 VanDerWaalsContact C-N 3.28Å; T316-A318 PolarHBondContact O-N 3.07Å
319A50.5Low57.7Low84 Ų84111.5 Ų111.569%0.69467%0.67SS**SBendtrans-104.1-1.4179.200000113.6T316T316-A319 PolarHBondContact O-N 2.71Å
320E49.2Very low56Low178 Ų178114.6 Ų114.683%0.83269%0.688SS**SBendtrans-127.699171.4-78-176.6157.800110.6
321G32.6Very low54.2Low74 Ų74118.1 Ų118.176%0.76371%0.705SS**  trans134134.3153.100000115.4
322P41.6Very low52.4Low208 Ų208123.6 Ų123.6100%1.35173%0.734SS**  cis-92.80-25.411.29.9000113.6

Retrieved 322 of 322 residues in 186.1 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).