A0A060Y5Q7_ONCMY Loading...

60S ribosomal protein L27

Component of the large ribosomal subunit.

AlphaFold DB (A0A673Z7F1), UniProt , Accession A0A060Y5Q7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110538598, Length 136 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
1M70.9Confident92.2Very high251 Ų25179.4 Ų79.4100%1.23642%0.42SS*.  0131.10-146.5175.7-156.700108.7
2G86.2Confident92.7Very high65 Ų6575.1 Ų75.167%0.6740%0.397SS*.  trans-78.9139.1-173.300000113.8F4G2-F4 PolarHBondContact O-N 3.17Å
3K90.6Very high93.1Very high126 Ų12669.4 Ų69.455%0.54837%0.367SS..  trans-61.3129.8174.8-64.4-173.3174.6-177.70110.7K6 D30K3-K6 WeakPolarHBondContact O-CE 3.43Å; K3-D30 WeakPolarHBondContact CD-OD2 3.45Å; K3-D30 WeakPolarHBondContact CE-OD2 3.49Å; K3-D30 IonicContact NZ-OD2 2.8Å; K3-D30 PolarHBondContact NZ-OD2 2.9Å
4F92.9Very high93.5Very high134 Ų13471.4 Ų71.459%0.58838%0.377SS*.  trans-111-12.7-175.554.9-96.5000114.6G2 K6 P82G2-F4 PolarHBondContact O-N 3.17Å; F4-K6 PolarHBondContact O-N 3.27Å; F4-P82 HydrophobicContact CD2-CB 4.14Å; F4-P82 HydrophobicContact CE2-CB 3.87Å; F4-P82 HydrophobicContact CE2-CG 3.85Å
5M95.3Very high93.7Very high20 Ų2068.9 Ų68.910%0.09937%0.37CS..  trans-78.368.6174.9-70.5-68-80.700111.1V11 I25 N28 Y77 L80 P82M5-V11 HydrophobicContact CE-CG1 4.16Å; M5-V11 HydrophobicContact SD-CG1 4.21Å; M5-I25 HydrophobicContact CB-CD1 4.25Å; M5-I25 HydrophobicContact CE-CD1 3.72Å; M5-I25 HydrophobicContact SD-CD1 3.89Å; M5-N28 VanDerWaalsContact O-CB 3.23Å; M5-N28 WeakPolarHBondContact O-CB 3.45Å; M5-Y77 HydrophobicContact CB-CE2 4.2Å; M5-Y77 HydrophobicContact CE-CD1 3.77Å; M5-Y77 HydrophobicContact CE-CE1 3.94Å; M5-Y77 HydrophobicContact CE-CG 4.11Å; M5-Y77 HydrophobicContact CG-CE2 4.37Å; M5-L80 HydrophobicContact CE-CB 4.31Å; M5-L80 HydrophobicContact CE-CD1 4.01Å; M5-P82 HydrophobicContact SD-CB 3.92Å
6K94.9Very high93.9Very high119 Ų11968 Ų6852%0.51738%0.383SS..  trans-102.5156.8-175.7-61.7-170.4-175.6-173.40112.5K3 F4 K9K3-K6 WeakPolarHBondContact O-CE 3.43Å; F4-K6 PolarHBondContact O-N 3.27Å; K6-K9 HydrophobicContact CB-CG 4.29Å; K6-K9 VanDerWaalsContact O-CB 3.25Å; K6-K9 WeakPolarHBondContact O-CB 3.42Å; K6-K9 WeakPolarHBondContact O-CG 3.42Å; K6-K9 PolarHBondContact O-N 3.28Å; K6-K9 VanDerWaalsContact O-N 3.12Å
7P95.2Very high94.1Very high64 Ų6475.4 Ų75.442%0.41640%0.403SS..THydrogen-bonded Turntrans-52.6141.9169.7-26.236.8000111.9K9 I25 N28P7-K9 PolarHBondContact O-N 3.43Å; P7-I25 CarbonylContact C-O 3.5Å; P7-I25 VanDerWaalsContact CA-O 3.32Å; P7-I25 WeakPolarHBondContact CA-O 3.37Å; P7-N28 WeakPolarHBondContact CD-OD1 3.37Å
8G94.9Very high94.4Very high23 Ų2373.1 Ų73.124%0.23739%0.388CS..THydrogen-bonded Turntrans81.5-7.7-175.800000114.7I25 S86 V87G8-I25 PolarHBondContact N-O 3.2Å; G8-S86 WeakPolarHBondContact O-CA 3.41Å; G8-V87 PolarHBondContact O-N 3.31Å
9K96.9Very high94.6Very high69 Ų6971.4 Ų71.430%0.339%0.385SS..EExtended strand (participates in β ladder)trans-74.5140.9170.5-68.9-68.1-169.5178.20111.2K6 P7 V24 I25K6-K9 HydrophobicContact CB-CG 4.29Å; K6-K9 VanDerWaalsContact O-CB 3.25Å; K6-K9 WeakPolarHBondContact O-CB 3.42Å; K6-K9 WeakPolarHBondContact O-CG 3.42Å; K6-K9 PolarHBondContact O-N 3.28Å; K6-K9 VanDerWaalsContact O-N 3.12Å; P7-K9 PolarHBondContact O-N 3.43Å; K9-V24 WeakPolarHBondContact O-CA 3.49Å; K9-I25 HydrophobicContact CB-CD1 4.37Å; K9-I25 PolarHBondContact O-N 2.8Å
10V97.9Very high94.7Very high1 Ų168.5 Ų68.51%0.00637%0.373CS..EExtended strand (participates in β ladder)trans-86.4133.9174.4-176.40000109.2A23 V24 T83 Y85 V87 W129 F130V10-A23 CarbonylContact C-O 3.58Å; V10-A23 WeakPolarHBondContact CA-O 3.45Å; V10-V24 HydrophobicContact CG2-CG2 4.41Å; V10-T83 WeakPolarHBondContact O-CB 3.23Å; V10-T83 PolarHBondContact O-N 3.26Å; V10-T83 PolarHBondContact O-OG1 3Å; V10-Y85 WeakPolarHBondContact CB-O 3.29Å; V10-Y85 PolarHBondContact N-O 2.96Å; V10-V87 HydrophobicContact CG2-CB 3.94Å; V10-V87 HydrophobicContact CG2-CG2 3.32Å; V10-W129 HydrophobicContact CG1-CZ3 3.77Å; V10-F130 HydrophobicContact CG1-CD2 3.72Å; V10-F130 HydrophobicContact CG1-CE2 4.13Å; V10-F130 HydrophobicContact CG2-CD2 4.09Å
11V98.1Very high94.9Very high1 Ų168.1 Ų68.11%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-126.2153.1176.4-64.30000109.5M5 A23 I25 V43 L80 M81M5-V11 HydrophobicContact CE-CG1 4.16Å; M5-V11 HydrophobicContact SD-CG1 4.21Å; V11-A23 HydrophobicContact CG2-CB 4.1Å; V11-A23 PolarHBondContact N-O 3.45Å; V11-A23 PolarHBondContact O-N 3.32Å; V11-I25 HydrophobicContact CG1-CD1 3.71Å; V11-I25 HydrophobicContact CG1-CG1 3.8Å; V11-I25 HydrophobicContact CG2-CG1 4.24Å; V11-V43 HydrophobicContact CG2-CG1 4.27Å; V11-L80 HydrophobicContact CB-CB 4.4Å; V11-L80 HydrophobicContact CB-CD2 4.42Å; V11-L80 HydrophobicContact CG2-CD1 4.31Å; V11-L80 HydrophobicContact CG2-CD2 3.94Å; V11-M81 CarbonylContact C-O 3.58Å; V11-M81 WeakPolarHBondContact CA-O 3.33Å
12M98.1Very high96.2Very high28 Ų2856.3 Ų56.314%0.13831%0.308CS..EExtended strand (participates in β ladder)trans-102136.7166.4-56.4-153.1-53.500109.8K22 L80 M81 T83 W129 L134M12-K22 HydrophobicContact CG-CG 4.46Å; M12-L80 CarbonylContact O-C 3.55Å; M12-L80 WeakPolarHBondContact O-CA 3.17Å; M12-M81 HydrophobicContact CB-CB 4.29Å; M12-M81 HydrophobicContact CE-SD 3.85Å; M12-M81 PolarHBondContact N-O 2.85Å; M12-M81 PolarHBondContact O-N 3.12Å; M12-T83 HydrophobicContact CG-CG2 3.87Å; M12-W129 HydrophobicContact CG-CH2 4.25Å; M12-W129 HydrophobicContact SD-CH2 4.08Å; M12-W129 HydrophobicContact SD-CZ2 4.37Å; M12-L134 HydrophobicContact CE-CD2 3.78Å; M12-L134 HydrophobicContact SD-CD1 4.43Å; M12-L134 HydrophobicContact SD-CD2 3.65Å
13V98.4Very high96.8Very high1 Ų153.2 Ų53.21%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-81.3126.9175.8176.60000108.8A15 Y18 A19 G20 R21 A23 F71 Y75 L80V13-A15 WeakPolarHBondContact CG1-O 3.36Å; V13-Y18 VanDerWaalsContact CB-O 3.26Å; V13-Y18 WeakPolarHBondContact CB-O 3.43Å; V13-Y18 WeakPolarHBondContact CG1-O 3.4Å; V13-A19 CarbonylContact O-C 3.54Å; V13-A19 WeakPolarHBondContact O-CA 3.5Å; V13-G20 PolarHBondContact O-N 2.88Å; V13-R21 PolarHBondContact N-O 2.65Å; V13-A23 HydrophobicContact CG2-CB 4.43Å; V13-F71 HydrophobicContact CG2-CZ 4.23Å; V13-Y75 HydrophobicContact CG1-CD1 4.35Å; V13-Y75 HydrophobicContact CG1-CE1 3.55Å; V13-Y75 HydrophobicContact CG1-CE2 4.23Å; V13-Y75 VanDerWaalsContact CG1-CZ 3.47Å; V13-Y75 WeakPolarHBondContact CG1-OH 3.46Å; V13-Y75 HydrophobicContact CG2-CE2 4.01Å; V13-L80 HydrophobicContact CG2-CD2 4.07Å
14L98.3Very high97.1Very high97 Ų9747.5 Ų47.551%0.50825%0.251SS..  trans-92.9-31.9-179.6-62.8178.2000112.7A19 H79 M81L14-A19 WeakPolarHBondContact O-CB 3.45Å; L14-H79 PolarHBondContact N-O 3.38Å; L14-M81 HydrophobicContact CD1-CB 4.09Å; L14-M81 HydrophobicContact CD2-CB 3.89Å; L14-M81 HydrophobicContact CG-CB 4.04Å
15A97.3Very high97.3Very high34 Ų3441.1 Ų41.128%0.28122%0.224SC..SBendtrans-127.5156.9-170.200000115V13 H79V13-A15 WeakPolarHBondContact CG1-O 3.36Å; A15-H79 HydrophobicContact CB-CB 4.17Å
16G96.8Very high97.3Very high55 Ų5540.8 Ų40.857%0.56722%0.222SC*.SBendtrans75.9-167.1176.900000114.2Y18 A19G16-Y18 PolarHBondContact O-N 3.35Å; G16-A19 WeakPolarHBondContact O-CB 3.49Å; G16-A19 PolarHBondContact O-N 3.02Å
17R97.4Very high97.3Very high193 Ų19340.6 Ų40.673%0.72822%0.222SC*.THydrogen-bonded Turntrans-49.9-31.4-174.2180177.5176.51627.7115.5
18Y98.2Very high97.3Very high34 Ų3439.7 Ų39.713%0.13321%0.214CC..THydrogen-bonded Turntrans-104.422.3-177.9-51.9-64.5000112.8V13 G16 R21 D47 F71 K73 Y75V13-Y18 VanDerWaalsContact CB-O 3.26Å; V13-Y18 WeakPolarHBondContact CB-O 3.43Å; V13-Y18 WeakPolarHBondContact CG1-O 3.4Å; G16-Y18 PolarHBondContact O-N 3.35Å; Y18-R21 WeakPolarHBondContact O-CB 3.33Å; Y18-R21 WeakPolarHBondContact O-CG 3.47Å; Y18-R21 PolarHBondContact O-N 2.78Å; Y18-R21 VanDerWaalsContact O-N 3.09Å; Y18-D47 HydrophobicContact CD1-CB 4.37Å; Y18-D47 HydrophobicContact CE1-CB 4.03Å; Y18-F71 HydrophobicContact CD1-CB 4.49Å; Y18-F71 AromaticContact CD1-CD1 3.74Å; Y18-F71 HydrophobicContact CD1-CD1 3.74Å; Y18-F71 HydrophobicContact CD1-CE1 4.04Å; Y18-F71 HydrophobicContact CD1-CG 4.04Å; Y18-F71 HydrophobicContact CD2-CB 4.4Å; Y18-F71 HydrophobicContact CD2-CD1 4.24Å; Y18-F71 AromaticContact CD2-CD2 3.65Å; Y18-F71 HydrophobicContact CD2-CD2 3.65Å; Y18-F71 HydrophobicContact CD2-CE1 4.43Å; Y18-F71 AromaticContact CD2-CE2 3.89Å; Y18-F71 HydrophobicContact CD2-CE2 3.89Å; Y18-F71 AromaticContact CD2-CG 3.84Å; Y18-F71 HydrophobicContact CD2-CG 3.84Å; Y18-F71 HydrophobicContact CD2-CZ 4.27Å; Y18-F71 HydrophobicContact CE1-CB 3.91Å; Y18-F71 AromaticContact CE1-CD1 3.96Å; Y18-F71 HydrophobicContact CE1-CD1 3.96Å; Y18-F71 AromaticContact CE1-CG 3.96Å; Y18-F71 HydrophobicContact CE1-CG 3.96Å; Y18-F71 HydrophobicContact CE2-CB 3.81Å; Y18-F71 HydrophobicContact CE2-CD1 4.44Å; Y18-F71 AromaticContact CE2-CD2 3.79Å; Y18-F71 HydrophobicContact CE2-CD2 3.79Å; Y18-F71 HydrophobicContact CE2-CE2 4.48Å; Y18-F71 AromaticContact CE2-CG 3.77Å; Y18-F71 HydrophobicContact CE2-CG 3.77Å; Y18-F71 AromaticContact CG-CD1 3.9Å; Y18-F71 HydrophobicContact CG-CD1 3.9Å; Y18-F71 HydrophobicContact CG-CD2 4.1Å; Y18-F71 AromaticContact CG-CE1 3.9Å; Y18-F71 HydrophobicContact CG-CE1 3.9Å; Y18-F71 HydrophobicContact CG-CE2 4.12Å; Y18-F71 AromaticContact CG-CG 3.99Å; Y18-F71 HydrophobicContact CG-CG 3.99Å; Y18-F71 HydrophobicContact CG-CZ 4.01Å; Y18-F71 AromaticContact CZ-CG 3.83Å; Y18-K73 HydrophobicContact CD2-CD 4.23Å; Y18-K73 HydrophobicContact CE2-CD 4.27Å; Y18-Y75 WeakPolarHBondContact CD2-OH 3.41Å
19A98.1Very high97.3Very high41 Ų4139.5 Ų39.534%0.33921%0.207SC..THydrogen-bonded Turntrans-52.9141.1172.500000111.5V13 L14 G16 R21V13-A19 CarbonylContact O-C 3.54Å; V13-A19 WeakPolarHBondContact O-CA 3.5Å; L14-A19 WeakPolarHBondContact O-CB 3.45Å; G16-A19 WeakPolarHBondContact O-CB 3.49Å; G16-A19 PolarHBondContact O-N 3.02Å; A19-R21 PolarHBondContact O-N 3.32Å
20G97.6Very high97.1Very high13 Ų1337.8 Ų37.813%0.13420%0.201CC..THydrogen-bonded Turntrans71.76.1-175.400000115V13V13-G20 PolarHBondContact O-N 2.88Å
21R98.4Very high96.9Very high61 Ų6144.6 Ų44.623%0.2324%0.237CC..  trans-93.3144.5176.7-54-56.6176.9141.47.8111.6V13 Y18 A19 I46 D47 F71V13-R21 PolarHBondContact N-O 2.65Å; Y18-R21 WeakPolarHBondContact O-CB 3.33Å; Y18-R21 WeakPolarHBondContact O-CG 3.47Å; Y18-R21 PolarHBondContact O-N 2.78Å; Y18-R21 VanDerWaalsContact O-N 3.09Å; A19-R21 PolarHBondContact O-N 3.32Å; R21-I46 WeakPolarHBondContact CD-O 3.33Å; R21-D47 PolarHBondContact NH1-O 3.11Å; R21-D47 PolarHBondContact NH2-O 2.86Å; R21-F71 HydrophobicContact CB-CE1 3.95Å; R21-F71 HydrophobicContact CB-CZ 4.28Å; R21-F71 HydrophobicContact CG-CE1 4.47Å
22K98.4Very high96.6Very high4 Ų445.3 Ų45.32%0.01725%0.245CC..EExtended strand (participates in β ladder)trans-85136.3174.7-63.7170.4-178.5170.80109.3M12 G45 I46 Y49 W129 F130 Q132M12-K22 HydrophobicContact CG-CG 4.46Å; K22-G45 WeakPolarHBondContact O-CA 3.31Å; K22-I46 PolarHBondContact O-N 3.46Å; K22-I46 VanDerWaalsContact O-N 3.08Å; K22-Y49 WeakPolarHBondContact CB-OH 3.3Å; K22-Y49 WeakPolarHBondContact CG-OH 3.4Å; K22-Y49 PolarHBondContact N-OH 2.92Å; K22-W129 HydrophobicContact CD-CD2 4.49Å; K22-W129 HydrophobicContact CD-CE3 3.98Å; K22-W129 HydrophobicContact CD-CH2 4.02Å; K22-W129 HydrophobicContact CD-CZ3 3.73Å; K22-W129 HydrophobicContact CG-CH2 4.31Å; K22-W129 HydrophobicContact CG-CZ3 4.19Å; K22-W129 PolarHBondContact NZ-O 3.41Å; K22-F130 HydrophobicContact CB-CD2 3.89Å; K22-F130 HydrophobicContact CB-CE2 3.87Å; K22-F130 WeakPolarHBondContact CD-O 3.46Å; K22-Q132 PolarHBondContact NZ-O 3.37Å
23A98.1Very high96.3Very high0 Ų046.3 Ų46.30%025%0.253CS..EExtended strand (participates in β ladder)trans-139159.4177.500000110.9V10 V11 V13 V43 S44 F71V10-A23 CarbonylContact C-O 3.58Å; V10-A23 WeakPolarHBondContact CA-O 3.45Å; V11-A23 HydrophobicContact CG2-CB 4.1Å; V11-A23 PolarHBondContact N-O 3.45Å; V11-A23 PolarHBondContact O-N 3.32Å; V13-A23 HydrophobicContact CG2-CB 4.43Å; A23-V43 HydrophobicContact CB-CB 3.93Å; A23-V43 HydrophobicContact CB-CG2 3.84Å; A23-S44 CarbonylContact C-O 3.52Å; A23-S44 WeakPolarHBondContact CA-O 3.47Å; A23-F71 HydrophobicContact CB-CZ 4.19Å
24V97.5Very high96Very high5 Ų552.7 Ų52.73%0.0330%0.297CS..EExtended strand (participates in β ladder)trans-108.6134.8173-178.80000108K9 V10 V26 V43 S44 V87 F130K9-V24 WeakPolarHBondContact O-CA 3.49Å; V10-V24 HydrophobicContact CG2-CG2 4.41Å; V24-V26 PolarHBondContact O-N 3.29Å; V24-V43 VanDerWaalsContact O-CA 3.29Å; V24-V43 WeakPolarHBondContact O-CA 3.5Å; V24-S44 PolarHBondContact N-O 3.11Å; V24-S44 PolarHBondContact O-N 3.37Å; V24-V87 HydrophobicContact CG2-CB 4.05Å; V24-V87 HydrophobicContact CG2-CG1 4.27Å; V24-F130 HydrophobicContact CG2-CD2 4.43Å; V24-F130 HydrophobicContact CG2-CE1 4.34Å; V24-F130 HydrophobicContact CG2-CE2 3.68Å; V24-F130 HydrophobicContact CG2-CZ 3.63Å
25I96.8Very high95.6Very high1 Ų153.1 Ų53.11%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-68.7122.1171.4-60.4178.1000108.2M5 P7 G8 K9 V11 N28 A41 V43M5-I25 HydrophobicContact CB-CD1 4.25Å; M5-I25 HydrophobicContact CE-CD1 3.72Å; M5-I25 HydrophobicContact SD-CD1 3.89Å; P7-I25 CarbonylContact C-O 3.5Å; P7-I25 VanDerWaalsContact CA-O 3.32Å; P7-I25 WeakPolarHBondContact CA-O 3.37Å; G8-I25 PolarHBondContact N-O 3.2Å; K9-I25 HydrophobicContact CB-CD1 4.37Å; K9-I25 PolarHBondContact O-N 2.8Å; V11-I25 HydrophobicContact CG1-CD1 3.71Å; V11-I25 HydrophobicContact CG1-CG1 3.8Å; V11-I25 HydrophobicContact CG2-CG1 4.24Å; I25-N28 HydrophobicContact CG2-CB 4.26Å; I25-A41 HydrophobicContact CG1-CB 4.45Å; I25-A41 HydrophobicContact CG2-CB 4.09Å; I25-V43 HydrophobicContact CG1-CG1 4.45Å
26V95.8Very high95.3Very high12 Ų1255.3 Ų55.37%0.07330%0.301CS..EExtended strand (participates in β ladder)trans-91.7-45.2174.8-175.80000110V24 L42 L91 V96V24-V26 PolarHBondContact O-N 3.29Å; V26-L42 HydrophobicContact CB-CD2 4.45Å; V26-L42 HydrophobicContact CB-CG 4.3Å; V26-L42 HydrophobicContact CG1-CD2 4.48Å; V26-L42 PolarHBondContact N-O 2.92Å; V26-L91 HydrophobicContact CG2-CD1 3.66Å; V26-V96 HydrophobicContact CG1-CB 4.36Å; V26-V96 HydrophobicContact CG1-CG1 4.1Å; V26-V96 HydrophobicContact CG2-CG1 4.12Å
27K94.9Very high95.3Very high115 Ų11558 Ų5850%0.531%0.309SS..EExtended strand (participates in β ladder)trans-143.7125.5177.8-174.4174.4-178.6174.50109.3I29 A41 L42K27-I29 HydrophobicContact CG-CD1 4.24Å; K27-A41 CarbonylContact O-C 3.6Å; K27-A41 WeakPolarHBondContact O-CA 3.49Å; K27-L42 HydrophobicContact CB-CB 4.2Å; K27-L42 PolarHBondContact N-O 3.06Å; K27-L42 PolarHBondContact O-N 3.26Å
28N94.8Very high95.2Very high46 Ų4653.3 Ų53.325%0.24629%0.292CS..EExtended strand (participates in β ladder)trans-89.8142.1170.767.8-61.4000109.7M5 P7 I25 D30 Y77M5-N28 VanDerWaalsContact O-CB 3.23Å; M5-N28 WeakPolarHBondContact O-CB 3.45Å; P7-N28 WeakPolarHBondContact CD-OD1 3.37Å; I25-N28 HydrophobicContact CG2-CB 4.26Å; N28-D30 PolarHBondContact ND2-OD1 3.39Å; N28-D30 PolarHBondContact ND2-OD2 3.28Å; N28-Y77 WeakPolarHBondContact CB-OH 3.24Å
29I95.3Very high95.2Very high18 Ų1854 Ų549%0.09230%0.302CS..EExtended strand (participates in β ladder)trans-130.896.7171.7-61.298.8000106.3K27 G32 T33 H40 Y77K27-I29 HydrophobicContact CG-CD1 4.24Å; I29-G32 VanDerWaalsContact CG2-O 3.3Å; I29-G32 WeakPolarHBondContact CG2-O 3.29Å; I29-T33 HydrophobicContact CG2-CG2 4.13Å; I29-H40 CarbonylContact C-O 3.58Å; I29-H40 WeakPolarHBondContact CA-O 3.39Å; I29-H40 WeakPolarHBondContact CB-O 3.34Å; I29-H40 PolarHBondContact N-O 2.67Å; I29-H40 PolarHBondContact O-N 3.48Å; I29-Y77 PolarHBondContact N-OH 2.82Å
30D93.8Very high95.1Very high33 Ų3352 Ų5218%0.17629%0.285CS..SBendtrans-78.5-37.4-171.9-55.9-22000111.2K3 N28 S39 Y77K3-D30 WeakPolarHBondContact CD-OD2 3.45Å; K3-D30 WeakPolarHBondContact CE-OD2 3.49Å; K3-D30 IonicContact NZ-OD2 2.8Å; K3-D30 PolarHBondContact NZ-OD2 2.9Å; N28-D30 PolarHBondContact ND2-OD1 3.39Å; N28-D30 PolarHBondContact ND2-OD2 3.28Å; D30-S39 WeakPolarHBondContact O-CB 3.35Å; D30-S39 PolarHBondContact O-OG 2.88Å; D30-Y77 PolarHBondContact OD1-OH 3.43Å
31D92.3Very high95.1Very high144 Ų14451.4 Ų51.477%0.7728%0.279SS*.SBendtrans-97.45.9-170.5-46.5-53.7000113.3
32G91.6Very high95Very high17 Ų1748.5 Ų48.518%0.17527%0.268CS..  trans78.5-177.6-175.100000114I29 R36I29-G32 VanDerWaalsContact CG2-O 3.3Å; I29-G32 WeakPolarHBondContact CG2-O 3.29Å; G32-R36 CarbonylContact C-O 3.56Å; G32-R36 VanDerWaalsContact CA-O 3.31Å; G32-R36 WeakPolarHBondContact CA-O 3.3Å
33T92.6Very high94.9Very high48 Ų4848.3 Ų48.329%0.29427%0.267SS..BIsolated β-bridgetrans-136.5167.6172.4410000109.5I29 D35 R36 H40 K98I29-T33 HydrophobicContact CG2-CG2 4.13Å; T33-D35 WeakPolarHBondContact CB-OD1 3.44Å; T33-D35 PolarHBondContact O-N 3.23Å; T33-D35 PolarHBondContact OG1-OD1 3.31Å; T33-R36 PolarHBondContact N-O 3.45Å; T33-R36 CarbonylContact O-C 2.96Å; T33-R36 PolarHBondContact O-N 2.86Å; T33-H40 PolarHBondContact OG1-CE1 3.04Å; T33-K98 PolarHBondContact OG1-NZ 3.19Å
34S91.2Very high94.9Very high135 Ų13548.3 Ų48.394%0.94427%0.267SS*.THydrogen-bonded Turntrans-55.5-34.7179.851.70000113.5
35D90.3Very high94.9Very high107 Ų10748.1 Ų48.157%0.57227%0.266SS*.THydrogen-bonded Turntrans-77.8-23.5175.966.8-52.4000113.6T33T33-D35 WeakPolarHBondContact CB-OD1 3.44Å; T33-D35 PolarHBondContact O-N 3.23Å; T33-D35 PolarHBondContact OG1-OD1 3.31Å
36R92.3Very high95Very high80 Ų8048 Ų4830%0.30227%0.266SS..BIsolated β-bridgetrans-145.989.2-173-68.1174.5-166-123.7-3.7109G32 T33 Y38G32-R36 CarbonylContact C-O 3.56Å; G32-R36 VanDerWaalsContact CA-O 3.31Å; G32-R36 WeakPolarHBondContact CA-O 3.3Å; T33-R36 PolarHBondContact N-O 3.45Å; T33-R36 CarbonylContact O-C 2.96Å; T33-R36 PolarHBondContact O-N 2.86Å; R36-Y38 HydrophobicContact CB-CE1 4.08Å; R36-Y38 HydrophobicContact CB-CE2 4.34Å; R36-Y38 HydrophobicContact CG-CE1 4.29Å; R36-Y38 PolarHBondContact O-N 2.89Å
37P95.6Very high95.1Very high111 Ų11148.6 Ų48.672%0.72127%0.268SS*.  trans-69.1-9.6-172.927.5-35.3000113.6
38Y96.3Very high95.3Very high94 Ų9449.4 Ų49.437%0.36927%0.268SS..SBendtrans-91.3155.5178.655.3-96.7000112.9R36 H40 N76R36-Y38 HydrophobicContact CB-CE1 4.08Å; R36-Y38 HydrophobicContact CB-CE2 4.34Å; R36-Y38 HydrophobicContact CG-CE1 4.29Å; R36-Y38 PolarHBondContact O-N 2.89Å; Y38-H40 HydrophobicContact CD2-CB 4.18Å; Y38-H40 HydrophobicContact CE2-CB 4.05Å; Y38-H40 PolarHBondContact O-N 2.92Å; Y38-H40 PolarHBondContact O-ND1 2.9Å; Y38-N76 HydrophobicContact CD2-CB 3.9Å; Y38-N76 VanDerWaalsContact CD2-ND2 3.28Å; Y38-N76 WeakPolarHBondContact CD2-ND2 3.34Å; Y38-N76 HydrophobicContact CE2-CB 3.81Å
39S96.8Very high95.4Very high49 Ų4948 Ų4834%0.34326%0.26SS..  trans-61.8130.7174.6-44.90000112.5D30 Y77D30-S39 WeakPolarHBondContact O-CB 3.35Å; D30-S39 PolarHBondContact O-OG 2.88Å; S39-Y77 PolarHBondContact O-N 2.94Å
40H97Very high95.5Very high0 Ų047.9 Ų47.90%026%0.259CS..EExtended strand (participates in β ladder)trans-151.9164.4-175.760.2-90000113.2I29 T33 Y38 V74 Y75 Y77 K98I29-H40 CarbonylContact C-O 3.58Å; I29-H40 WeakPolarHBondContact CA-O 3.39Å; I29-H40 WeakPolarHBondContact CB-O 3.34Å; I29-H40 PolarHBondContact N-O 2.67Å; I29-H40 PolarHBondContact O-N 3.48Å; T33-H40 PolarHBondContact OG1-CE1 3.04Å; Y38-H40 HydrophobicContact CD2-CB 4.18Å; Y38-H40 HydrophobicContact CE2-CB 4.05Å; Y38-H40 PolarHBondContact O-N 2.92Å; Y38-H40 PolarHBondContact O-ND1 2.9Å; H40-V74 HydrophobicContact CB-CG1 4.06Å; H40-V74 VanDerWaalsContact CD2-CG1 3.46Å; H40-V74 WeakPolarHBondContact CD2-CG1 3.26Å; H40-Y75 CarbonylContact C-O 3.48Å; H40-Y75 WeakPolarHBondContact CA-O 3.45Å; H40-Y75 WeakPolarHBondContact CB-O 3.4Å; H40-Y77 VanDerWaalsContact O-CE1 3.23Å; H40-Y77 WeakPolarHBondContact O-CE1 3.36Å; H40-Y77 PolarHBondContact O-OH 3.1Å; H40-K98 PolarHBondContact NE2-NZ 3.01Å
41A97.1Very high95.6Very high0 Ų053.8 Ų53.80%028%0.279CS..EExtended strand (participates in β ladder)trans-130.9142.1175.300000111I25 K27 V43 V74 Y75 Y77 L80I25-A41 HydrophobicContact CG1-CB 4.45Å; I25-A41 HydrophobicContact CG2-CB 4.09Å; K27-A41 CarbonylContact O-C 3.6Å; K27-A41 WeakPolarHBondContact O-CA 3.49Å; A41-V43 HydrophobicContact CB-CG1 3.99Å; A41-V74 CarbonylContact O-C 3.59Å; A41-V74 VanDerWaalsContact O-CA 3.31Å; A41-V74 WeakPolarHBondContact O-CA 3.5Å; A41-Y75 PolarHBondContact N-O 3.43Å; A41-Y75 PolarHBondContact O-N 3.12Å; A41-Y77 HydrophobicContact CB-CD1 4.36Å; A41-Y77 HydrophobicContact CB-CE1 3.64Å; A41-L80 HydrophobicContact CB-CD1 4.21Å
42L96.8Very high95.7Very high0 Ų054.9 Ų54.90%028%0.277CS..EExtended strand (participates in β ladder)trans-77.8120.7158.4179.461.5000108.2V26 K27 V72 V74 V96 N97 F101V26-L42 HydrophobicContact CB-CD2 4.45Å; V26-L42 HydrophobicContact CB-CG 4.3Å; V26-L42 HydrophobicContact CG1-CD2 4.48Å; V26-L42 PolarHBondContact N-O 2.92Å; K27-L42 HydrophobicContact CB-CB 4.2Å; K27-L42 PolarHBondContact N-O 3.06Å; K27-L42 PolarHBondContact O-N 3.26Å; L42-V72 HydrophobicContact CD1-CG1 3.75Å; L42-V74 HydrophobicContact CD1-CG2 4.04Å; L42-V96 HydrophobicContact CD2-CG1 4.36Å; L42-V96 WeakPolarHBondContact CD2-O 3.15Å; L42-N97 VanDerWaalsContact CD2-C 3.48Å; L42-N97 WeakPolarHBondContact CD2-O 3.17Å; L42-F101 HydrophobicContact CD1-CE2 3.66Å; L42-F101 HydrophobicContact CD1-CZ 3.8Å
43V97Very high95.9Very high0 Ų056.4 Ų56.40%028%0.283CS..EExtended strand (participates in β ladder)trans-121.2150179.3-48.10000111.2V11 A23 V24 I25 A41 F71 V72 K73 Y75 L80V11-V43 HydrophobicContact CG2-CG1 4.27Å; A23-V43 HydrophobicContact CB-CB 3.93Å; A23-V43 HydrophobicContact CB-CG2 3.84Å; V24-V43 VanDerWaalsContact O-CA 3.29Å; V24-V43 WeakPolarHBondContact O-CA 3.5Å; I25-V43 HydrophobicContact CG1-CG1 4.45Å; A41-V43 HydrophobicContact CB-CG1 3.99Å; V43-F71 HydrophobicContact CG2-CE2 4.18Å; V43-V72 WeakPolarHBondContact O-CA 3.36Å; V43-K73 WeakPolarHBondContact CG2-O 3.34Å; V43-K73 PolarHBondContact N-O 2.8Å; V43-K73 PolarHBondContact O-N 3.36Å; V43-Y75 HydrophobicContact CG2-CD2 3.59Å; V43-Y75 HydrophobicContact CG2-CE2 4.01Å; V43-L80 HydrophobicContact CG1-CD1 4.09Å
44S97.8Very high96.1Very high0 Ų056.8 Ų56.80%029%0.285CS..EExtended strand (participates in β ladder)trans-118.5125.6168.7-176.20000108.7A23 V24 F71 A114 F118A23-S44 CarbonylContact C-O 3.52Å; A23-S44 WeakPolarHBondContact CA-O 3.47Å; V24-S44 PolarHBondContact N-O 3.11Å; V24-S44 PolarHBondContact O-N 3.37Å; S44-F71 CarbonylContact C-O 3.58Å; S44-F71 WeakPolarHBondContact CA-O 3.5Å; S44-A114 WeakPolarHBondContact OG-CB 3.4Å; S44-F118 WeakPolarHBondContact OG-CZ 3.3Å
45G97.8Very high96.3Very high0 Ų057.4 Ų57.40%028%0.284CS..EExtended strand (participates in β ladder)trans-142176.8-172.600000114.7K22 A70 F71K22-G45 WeakPolarHBondContact O-CA 3.31Å; G45-A70 CarbonylContact O-C 3.55Å; G45-A70 VanDerWaalsContact O-CA 3.24Å; G45-A70 WeakPolarHBondContact O-CA 3.43Å; G45-F71 VanDerWaalsContact C-CD1 3.43Å; G45-F71 PolarHBondContact N-O 3.1Å; G45-F71 WeakPolarHBondContact O-CD1 3.23Å; G45-F71 PolarHBondContact O-N 2.92Å
46I98.3Very high96.6Very high0 Ų058.3 Ų58.30%029%0.293CS..EExtended strand (participates in β ladder)trans-99.7110.8-174.7-60.6170.8000110.3R21 K22 R48 Y49 I68 F118 F130 F131R21-I46 WeakPolarHBondContact CD-O 3.33Å; K22-I46 PolarHBondContact O-N 3.46Å; K22-I46 VanDerWaalsContact O-N 3.08Å; I46-R48 VanDerWaalsContact CG2-C 3.44Å; I46-R48 WeakPolarHBondContact CG2-O 3.25Å; I46-Y49 HydrophobicContact CB-CD1 4.13Å; I46-Y49 HydrophobicContact CB-CE1 3.86Å; I46-Y49 HydrophobicContact CD1-CD1 4.09Å; I46-Y49 HydrophobicContact CD1-CE1 3.94Å; I46-Y49 HydrophobicContact CG2-CD1 3.54Å; I46-Y49 HydrophobicContact CG2-CD2 4.2Å; I46-Y49 HydrophobicContact CG2-CE1 3.79Å; I46-Y49 HydrophobicContact CG2-CE2 4.41Å; I46-Y49 HydrophobicContact CG2-CG 3.76Å; I46-I68 HydrophobicContact CG1-CG2 4.24Å; I46-I68 HydrophobicContact CG2-CG2 4.03Å; I46-F118 HydrophobicContact CG1-CD2 4.02Å; I46-F118 HydrophobicContact CG1-CE2 4.18Å; I46-F130 HydrophobicContact CD1-CD1 3.85Å; I46-F130 HydrophobicContact CD1-CE1 3.48Å; I46-F130 VanDerWaalsContact CD1-CE1 3.48Å; I46-F130 HydrophobicContact CD1-CZ 3.92Å; I46-F130 HydrophobicContact CG1-CE1 4.03Å; I46-F130 HydrophobicContact CG1-CZ 4.11Å; I46-F131 HydrophobicContact CD1-CD1 3.66Å; I46-F131 HydrophobicContact CD1-CE1 4.03Å
47D98Very high96.9Very high23 Ų2356.2 Ų56.212%0.12329%0.287CS..EExtended strand (participates in β ladder)trans-79.7-43.8171.8179.723.4000110.6Y18 R21 K69 F71Y18-D47 HydrophobicContact CD1-CB 4.37Å; Y18-D47 HydrophobicContact CE1-CB 4.03Å; R21-D47 PolarHBondContact NH1-O 3.11Å; R21-D47 PolarHBondContact NH2-O 2.86Å; D47-K69 WeakPolarHBondContact CA-O 3.35Å; D47-K69 HydrophobicContact CB-CB 4.41Å; D47-K69 HydrophobicContact CB-CD 4.38Å; D47-K69 HydrophobicContact CB-CG 4.28Å; D47-K69 WeakPolarHBondContact CB-O 3.41Å; D47-K69 PolarHBondContact N-O 3.11Å; D47-K69 VanDerWaalsContact OD2-CD 3.26Å; D47-K69 WeakPolarHBondContact OD2-CD 3.1Å; D47-K69 WeakPolarHBondContact OD2-CE 3.32Å; D47-K69 IonicContact OD2-NZ 2.72Å; D47-K69 PolarHBondContact OD2-NZ 3.37Å; D47-F71 HydrophobicContact CB-CD1 4.02Å
48R98Very high97Very high133 Ų13353.2 Ų53.250%0.50228%0.277SS..EExtended strand (participates in β ladder)trans-123112.2174.6-168.8173.563.7-159.8-3.1110.2I46 K69I46-R48 VanDerWaalsContact CG2-C 3.44Å; I46-R48 WeakPolarHBondContact CG2-O 3.25Å; R48-K69 HydrophobicContact CB-CB 3.57Å; R48-K69 PolarHBondContact N-O 2.88Å; R48-K69 VanDerWaalsContact N-O 3.1Å; R48-K69 PolarHBondContact O-N 2.87Å; R48-K69 VanDerWaalsContact O-N 3.12Å
49Y98.1Very high97Very high17 Ų1758.2 Ų58.27%0.06730%0.3CS..PPolyproline II helixtrans-68.1149.3176.9-69.6-80.8000112K22 I46 F130 F131 K133K22-Y49 WeakPolarHBondContact CB-OH 3.3Å; K22-Y49 WeakPolarHBondContact CG-OH 3.4Å; K22-Y49 PolarHBondContact N-OH 2.92Å; I46-Y49 HydrophobicContact CB-CD1 4.13Å; I46-Y49 HydrophobicContact CB-CE1 3.86Å; I46-Y49 HydrophobicContact CD1-CD1 4.09Å; I46-Y49 HydrophobicContact CD1-CE1 3.94Å; I46-Y49 HydrophobicContact CG2-CD1 3.54Å; I46-Y49 HydrophobicContact CG2-CD2 4.2Å; I46-Y49 HydrophobicContact CG2-CE1 3.79Å; I46-Y49 HydrophobicContact CG2-CE2 4.41Å; I46-Y49 HydrophobicContact CG2-CG 3.76Å; Y49-F130 WeakPolarHBondContact CE1-O 2.91Å; Y49-F131 WeakPolarHBondContact CD1-O 3.44Å; Y49-K133 HydrophobicContact CD2-CB 3.7Å; Y49-K133 HydrophobicContact CD2-CD 4.47Å; Y49-K133 HydrophobicContact CD2-CG 3.74Å; Y49-K133 HydrophobicContact CE2-CB 4.14Å; Y49-K133 HydrophobicContact CE2-CG 3.96Å; Y49-K133 HydrophobicContact CG-CB 3.95Å; Y49-K133 HydrophobicContact CG-CG 4.49Å
50P97.6Very high97Very high14 Ų1465 Ų659%0.09132%0.324CS..PPolyproline II helixtrans-64.2147.8168.330.1-31.9000109.4R65 I68 Y122 F131P50-R65 CarbonylContact C-O 3.57Å; P50-R65 WeakPolarHBondContact CA-O 3.49Å; P50-I68 HydrophobicContact CB-CG1 4.24Å; P50-I68 HydrophobicContact CG-CD1 4.16Å; P50-I68 HydrophobicContact CG-CG1 4.22Å; P50-Y122 HydrophobicContact CB-CD1 4.11Å; P50-Y122 HydrophobicContact CB-CE1 3.64Å; P50-Y122 HydrophobicContact CB-CE2 4.11Å; P50-Y122 HydrophobicContact CG-CD1 4.24Å; P50-Y122 HydrophobicContact CG-CD2 3.85Å; P50-Y122 HydrophobicContact CG-CE1 4.02Å; P50-Y122 HydrophobicContact CG-CE2 3.61Å; P50-Y122 HydrophobicContact CG-CG 4.16Å; P50-F131 HydrophobicContact CG-CB 4.18Å
51R96.3Very high97Very high157 Ų15770.9 Ų70.959%0.59235%0.349SS*.PPolyproline II helixtrans-93.5150.6-179.9-56.4-179178.6179.5-2.7110V53 R65R51-V53 PolarHBondContact O-N 3.41Å; R51-R65 HydrophobicContact CB-CB 4.15Å; R51-R65 HydrophobicContact CB-CG 4.28Å; R51-R65 VanDerWaalsContact CB-CZ 3.48Å; R51-R65 PolarHBondContact N-O 3.43Å
52K94.6Very high97Very high168 Ų16873 Ų7373%0.7336%0.362SS*.PPolyproline II helixtrans-49.9131.2175.3-176.5178.1-179.8-178.90110.9R65K52-R65 VanDerWaalsContact O-CZ 3.25Å; K52-R65 PolarHBondContact O-NE 2.89Å; K52-R65 PolarHBondContact O-NH2 3.09Å
53V94.8Very high96.9Very high49 Ų4975.8 Ų75.830%0.29739%0.385SS..  trans-106.1143.1174.8177.60000108.4R51 M57 V62 R65R51-V53 PolarHBondContact O-N 3.41Å; V53-M57 HydrophobicContact CG1-SD 4.49Å; V53-V62 HydrophobicContact CG1-CB 4.35Å; V53-V62 HydrophobicContact CG1-CG1 4Å; V53-V62 HydrophobicContact CG1-CG2 3.71Å; V53-V62 HydrophobicContact CG2-CG1 4.31Å; V53-R65 HydrophobicContact CG2-CB 4.24Å
54T96.1Very high96.9Very high55 Ų5583.9 Ų83.934%0.33742%0.42SS..  trans-121.4159.317459.90000109.4T56 M57T54-T56 PolarHBondContact O-N 2.64Å; T54-T56 PolarHBondContact OG1-OG1 3.19Å; T54-M57 HydrophobicContact CG2-CE 4.29Å; T54-M57 WeakPolarHBondContact O-CB 3.46Å; T54-M57 PolarHBondContact O-N 3.41Å; T54-M57 WeakPolarHBondContact OG1-CE 3.38Å; T54-M57 WeakPolarHBondContact OG1-CG 2.98Å
55T95.8Very high96.8Very high149 Ų14986.9 Ų86.991%0.91443%0.432SS*.THydrogen-bonded Turntrans-60-31.9-177.549.10000113.1M57T55-M57 PolarHBondContact O-N 3.12Å
56T97.2Very high96.7Very high126 Ų12687.9 Ų87.977%0.77344%0.438SS*.THydrogen-bonded Turntrans-72.2-9179.456.20000114.7T54T54-T56 PolarHBondContact O-N 2.64Å; T54-T56 PolarHBondContact OG1-OG1 3.19Å
57M97.6Very high96.7Very high35 Ų3593 Ų9317%0.17246%0.461CS..SBendtrans-81.3129.6-176.9-64.5-170-172.100111.8V53 T54 T55 K61 V62 R65V53-M57 HydrophobicContact CG1-SD 4.49Å; T54-M57 HydrophobicContact CG2-CE 4.29Å; T54-M57 WeakPolarHBondContact O-CB 3.46Å; T54-M57 PolarHBondContact O-N 3.41Å; T54-M57 WeakPolarHBondContact OG1-CE 3.38Å; T54-M57 WeakPolarHBondContact OG1-CG 2.98Å; T55-M57 PolarHBondContact O-N 3.12Å; M57-K61 HydrophobicContact CB-CB 4.45Å; M57-K61 HydrophobicContact CB-CD 4.38Å; M57-K61 HydrophobicContact CG-CD 4.13Å; M57-K61 HydrophobicContact CG-CG 4.5Å; M57-K61 HydrophobicContact SD-CD 4.17Å; M57-K61 HydrophobicContact SD-CG 4.13Å; M57-V62 HydrophobicContact CB-CG2 3.83Å; M57-R65 WeakPolarHBondContact SD-CD 3.15Å
58G97.8Very high96.6Very high49 Ų4992 Ų9251%0.50546%0.456SS..  trans-64.2154.4171.100000113.7K60 K61 V62G58-K60 VanDerWaalsContact C-N 3.28Å; G58-K60 PolarHBondContact O-N 3.27Å; G58-K60 VanDerWaalsContact O-N 3.11Å; G58-K61 WeakPolarHBondContact O-CB 3.4Å; G58-K61 PolarHBondContact O-N 3.03Å; G58-V62 PolarHBondContact O-N 2.93Å
59K96.3Very high96.6Very high198 Ų19889.5 Ų89.586%0.86145%0.448SS*.Hα-helixtrans-49.7-41.8-174-64.2-179.4-179.3176.70113.8K61 V62 A63K59-K61 PolarHBondContact O-N 3.44Å; K59-V62 PolarHBondContact O-N 3.28Å; K59-A63 WeakPolarHBondContact O-CB 3.33Å; K59-A63 PolarHBondContact O-N 2.91Å
60K97.1Very high96.6Very high193 Ų19389 Ų8984%0.83945%0.448SS*.Hα-helixtrans-62.7-40.7178-170.2177.5-175.9176.20112.6G58 K64G58-K60 VanDerWaalsContact C-N 3.28Å; G58-K60 PolarHBondContact O-N 3.27Å; G58-K60 VanDerWaalsContact O-N 3.11Å; K60-K64 PolarHBondContact O-N 3.24Å; K60-K64 VanDerWaalsContact O-N 3.11Å
61K97.4Very high96.6Very high123 Ų12388.3 Ų88.354%0.53544%0.443SS..Hα-helixtrans-70.8-40.9178.4-170.4171.1-176.9173.20110.7M57 G58 K59 K64 R65M57-K61 HydrophobicContact CB-CB 4.45Å; M57-K61 HydrophobicContact CB-CD 4.38Å; M57-K61 HydrophobicContact CG-CD 4.13Å; M57-K61 HydrophobicContact CG-CG 4.5Å; M57-K61 HydrophobicContact SD-CD 4.17Å; M57-K61 HydrophobicContact SD-CG 4.13Å; G58-K61 WeakPolarHBondContact O-CB 3.4Å; G58-K61 PolarHBondContact O-N 3.03Å; K59-K61 PolarHBondContact O-N 3.44Å; K61-K64 PolarHBondContact O-N 3.5Å; K61-R65 WeakPolarHBondContact O-CB 3.49Å; K61-R65 VanDerWaalsContact O-CG 3.31Å; K61-R65 WeakPolarHBondContact O-CG 3.47Å; K61-R65 PolarHBondContact O-N 2.8Å
62V96.1Very high96.7Very high43 Ų4381 Ų8126%0.26142%0.416SS..Hα-helixtrans-57.9-53.5173.3177.80000110.4V53 M57 G58 K59 K64 R65 S66V53-V62 HydrophobicContact CG1-CB 4.35Å; V53-V62 HydrophobicContact CG1-CG1 4Å; V53-V62 HydrophobicContact CG1-CG2 3.71Å; V53-V62 HydrophobicContact CG2-CG1 4.31Å; M57-V62 HydrophobicContact CB-CG2 3.83Å; G58-V62 PolarHBondContact O-N 2.93Å; K59-V62 PolarHBondContact O-N 3.28Å; V62-K64 VanDerWaalsContact C-N 3.3Å; V62-K64 PolarHBondContact O-N 3.11Å; V62-R65 PolarHBondContact O-N 2.87Å; V62-S66 PolarHBondContact O-N 3.39Å; V62-S66 PolarHBondContact O-OG 2.66Å; V62-S66 VanDerWaalsContact O-OG 3.1Å
63A95.2Very high96.8Very high59 Ų5976.5 Ų76.549%0.48840%0.396SS..Hα-helixtrans-56.6-41.6179.400000112.6K59 K67K59-A63 WeakPolarHBondContact O-CB 3.33Å; K59-A63 PolarHBondContact O-N 2.91Å; A63-K67 WeakPolarHBondContact O-CG 3.26Å; A63-K67 PolarHBondContact O-N 2.87Å
64K96.5Very high96.9Very high170 Ų17074.9 Ų74.974%0.73939%0.387SS*.Hα-helixtrans-67.3-36177.1-170.1175.5-178.3177.40112.6K60 K61 V62K60-K64 PolarHBondContact O-N 3.24Å; K60-K64 VanDerWaalsContact O-N 3.11Å; K61-K64 PolarHBondContact O-N 3.5Å; V62-K64 VanDerWaalsContact C-N 3.3Å; V62-K64 PolarHBondContact O-N 3.11Å
65R96.4Very high97Very high64 Ų6472.6 Ų72.624%0.24237%0.372CS..Hα-helixtrans-78.5-28.8-179.3-71.9-177.577.289.7-7.3113.3P50 R51 K52 V53 M57 K61 V62 K67P50-R65 CarbonylContact C-O 3.57Å; P50-R65 WeakPolarHBondContact CA-O 3.49Å; R51-R65 HydrophobicContact CB-CB 4.15Å; R51-R65 HydrophobicContact CB-CG 4.28Å; R51-R65 VanDerWaalsContact CB-CZ 3.48Å; R51-R65 PolarHBondContact N-O 3.43Å; K52-R65 VanDerWaalsContact O-CZ 3.25Å; K52-R65 PolarHBondContact O-NE 2.89Å; K52-R65 PolarHBondContact O-NH2 3.09Å; V53-R65 HydrophobicContact CG2-CB 4.24Å; M57-R65 WeakPolarHBondContact SD-CD 3.15Å; K61-R65 WeakPolarHBondContact O-CB 3.49Å; K61-R65 VanDerWaalsContact O-CG 3.31Å; K61-R65 WeakPolarHBondContact O-CG 3.47Å; K61-R65 PolarHBondContact O-N 2.8Å; V62-R65 PolarHBondContact O-N 2.87Å; R65-K67 VanDerWaalsContact C-N 3.28Å; R65-K67 PolarHBondContact O-N 2.78Å
66S96.3Very high97.1Very high20 Ų2067 Ų6714%0.1434%0.336CS..SBendtrans-79.1-6.6175.8-570000113.8V62 I68V62-S66 PolarHBondContact O-N 3.39Å; V62-S66 PolarHBondContact O-OG 2.66Å; V62-S66 VanDerWaalsContact O-OG 3.1Å; S66-I68 PolarHBondContact O-N 3.08Å
67K96.8Very high97.1Very high109 Ų10962.9 Ų62.947%0.47431%0.307SS..  trans-66.3125.6178.3-82.8177.3-178.6-176.60111.8A63 R65 E119A63-K67 WeakPolarHBondContact O-CG 3.26Å; A63-K67 PolarHBondContact O-N 2.87Å; R65-K67 VanDerWaalsContact C-N 3.28Å; R65-K67 PolarHBondContact O-N 2.78Å; K67-E119 VanDerWaalsContact CA-OE1 3.3Å; K67-E119 WeakPolarHBondContact CA-OE1 3.4Å
68I97.8Very high97.1Very high2 Ų267.4 Ų67.41%0.0133%0.332CS..  trans-103146.2178.2-60.5-177.4000109.3I46 P50 S66 K115 F118 E119 Y122 F131I46-I68 HydrophobicContact CG1-CG2 4.24Å; I46-I68 HydrophobicContact CG2-CG2 4.03Å; P50-I68 HydrophobicContact CB-CG1 4.24Å; P50-I68 HydrophobicContact CG-CD1 4.16Å; P50-I68 HydrophobicContact CG-CG1 4.22Å; S66-I68 PolarHBondContact O-N 3.08Å; I68-K115 WeakPolarHBondContact O-CD 3.37Å; I68-K115 WeakPolarHBondContact O-CE 3.41Å; I68-K115 WeakPolarHBondContact O-CG 3.35Å; I68-F118 HydrophobicContact CD1-CB 4.11Å; I68-F118 HydrophobicContact CG2-CB 4.28Å; I68-F118 HydrophobicContact CG2-CD2 4.41Å; I68-E119 HydrophobicContact CB-CG 3.92Å; I68-E119 HydrophobicContact CD1-CG 4.32Å; I68-E119 HydrophobicContact CG1-CG 4.02Å; I68-E119 PolarHBondContact N-OE1 2.83Å; I68-Y122 HydrophobicContact CD1-CG 4.4Å; I68-F131 HydrophobicContact CD1-CD1 3.75Å; I68-F131 HydrophobicContact CD1-CE1 3.78Å
69K98Very high97.1Very high80 Ų8069.1 Ų69.135%0.34833%0.326SS..EExtended strand (participates in β ladder)trans-112.5119.2165.2-171.5-178.2172.6-152.80108.1D47 R48D47-K69 WeakPolarHBondContact CA-O 3.35Å; D47-K69 HydrophobicContact CB-CB 4.41Å; D47-K69 HydrophobicContact CB-CD 4.38Å; D47-K69 HydrophobicContact CB-CG 4.28Å; D47-K69 WeakPolarHBondContact CB-O 3.41Å; D47-K69 PolarHBondContact N-O 3.11Å; D47-K69 VanDerWaalsContact OD2-CD 3.26Å; D47-K69 WeakPolarHBondContact OD2-CD 3.1Å; D47-K69 WeakPolarHBondContact OD2-CE 3.32Å; D47-K69 IonicContact OD2-NZ 2.72Å; D47-K69 PolarHBondContact OD2-NZ 3.37Å; R48-K69 HydrophobicContact CB-CB 3.57Å; R48-K69 PolarHBondContact N-O 2.88Å; R48-K69 VanDerWaalsContact N-O 3.1Å; R48-K69 PolarHBondContact O-N 2.87Å; R48-K69 VanDerWaalsContact O-N 3.12Å
70A97.9Very high97.2Very high6 Ų660 Ų605%0.0529%0.287CS..EExtended strand (participates in β ladder)trans-95.3157178.700000112.1G45 A114 K115 F118G45-A70 CarbonylContact O-C 3.55Å; G45-A70 VanDerWaalsContact O-CA 3.24Å; G45-A70 WeakPolarHBondContact O-CA 3.43Å; A70-A114 HydrophobicContact CB-CB 3.88Å; A70-K115 HydrophobicContact CB-CB 4.15Å; A70-F118 HydrophobicContact CB-CD2 3.98Å; A70-F118 HydrophobicContact CB-CE2 4.09Å
71F97.9Very high97.2Very high0 Ų055.3 Ų55.30%027%0.269CS..EExtended strand (participates in β ladder)trans-129.1153166.969.3-94.4000110.2V13 Y18 R21 A23 V43 S44 G45 D47 K73 Y75V13-F71 HydrophobicContact CG2-CZ 4.23Å; Y18-F71 HydrophobicContact CD1-CB 4.49Å; Y18-F71 AromaticContact CD1-CD1 3.74Å; Y18-F71 HydrophobicContact CD1-CD1 3.74Å; Y18-F71 HydrophobicContact CD1-CE1 4.04Å; Y18-F71 HydrophobicContact CD1-CG 4.04Å; Y18-F71 HydrophobicContact CD2-CB 4.4Å; Y18-F71 HydrophobicContact CD2-CD1 4.24Å; Y18-F71 AromaticContact CD2-CD2 3.65Å; Y18-F71 HydrophobicContact CD2-CD2 3.65Å; Y18-F71 HydrophobicContact CD2-CE1 4.43Å; Y18-F71 AromaticContact CD2-CE2 3.89Å; Y18-F71 HydrophobicContact CD2-CE2 3.89Å; Y18-F71 AromaticContact CD2-CG 3.84Å; Y18-F71 HydrophobicContact CD2-CG 3.84Å; Y18-F71 HydrophobicContact CD2-CZ 4.27Å; Y18-F71 HydrophobicContact CE1-CB 3.91Å; Y18-F71 AromaticContact CE1-CD1 3.96Å; Y18-F71 HydrophobicContact CE1-CD1 3.96Å; Y18-F71 AromaticContact CE1-CG 3.96Å; Y18-F71 HydrophobicContact CE1-CG 3.96Å; Y18-F71 HydrophobicContact CE2-CB 3.81Å; Y18-F71 HydrophobicContact CE2-CD1 4.44Å; Y18-F71 AromaticContact CE2-CD2 3.79Å; Y18-F71 HydrophobicContact CE2-CD2 3.79Å; Y18-F71 HydrophobicContact CE2-CE2 4.48Å; Y18-F71 AromaticContact CE2-CG 3.77Å; Y18-F71 HydrophobicContact CE2-CG 3.77Å; Y18-F71 AromaticContact CG-CD1 3.9Å; Y18-F71 HydrophobicContact CG-CD1 3.9Å; Y18-F71 HydrophobicContact CG-CD2 4.1Å; Y18-F71 AromaticContact CG-CE1 3.9Å; Y18-F71 HydrophobicContact CG-CE1 3.9Å; Y18-F71 HydrophobicContact CG-CE2 4.12Å; Y18-F71 AromaticContact CG-CG 3.99Å; Y18-F71 HydrophobicContact CG-CG 3.99Å; Y18-F71 HydrophobicContact CG-CZ 4.01Å; Y18-F71 AromaticContact CZ-CG 3.83Å; R21-F71 HydrophobicContact CB-CE1 3.95Å; R21-F71 HydrophobicContact CB-CZ 4.28Å; R21-F71 HydrophobicContact CG-CE1 4.47Å; A23-F71 HydrophobicContact CB-CZ 4.19Å; V43-F71 HydrophobicContact CG2-CE2 4.18Å; S44-F71 CarbonylContact C-O 3.58Å; S44-F71 WeakPolarHBondContact CA-O 3.5Å; G45-F71 VanDerWaalsContact C-CD1 3.43Å; G45-F71 PolarHBondContact N-O 3.1Å; G45-F71 WeakPolarHBondContact O-CD1 3.23Å; G45-F71 PolarHBondContact O-N 2.92Å; D47-F71 HydrophobicContact CB-CD1 4.02Å; F71-K73 HydrophobicContact CD2-CB 4.26Å; F71-Y75 HydrophobicContact CE2-CE2 4.19Å
72V97.2Very high97.2Very high4 Ų452.4 Ų52.42%0.02426%0.263CS..EExtended strand (participates in β ladder)trans-125.9128.6172.4179.90000107L42 V43 V96 V100 F101 A110 R111 A114L42-V72 HydrophobicContact CD1-CG1 3.75Å; V43-V72 WeakPolarHBondContact O-CA 3.36Å; V72-V96 HydrophobicContact CG1-CG1 3.89Å; V72-V96 HydrophobicContact CG2-CG1 4.23Å; V72-V100 HydrophobicContact CG1-CG2 4.45Å; V72-F101 HydrophobicContact CG1-CZ 4.08Å; V72-A110 HydrophobicContact CG2-CB 4.31Å; V72-R111 HydrophobicContact CG2-CG 4.24Å; V72-A114 HydrophobicContact CG2-CB 4.47Å
73K97Very high97.3Very high73 Ų7351.7 Ų51.732%0.31726%0.259SS..EExtended strand (participates in β ladder)trans-155.7151.4-176.4-172163.1174.6-176.20111.4Y18 V43 F71 Y75Y18-K73 HydrophobicContact CD2-CD 4.23Å; Y18-K73 HydrophobicContact CE2-CD 4.27Å; V43-K73 WeakPolarHBondContact CG2-O 3.34Å; V43-K73 PolarHBondContact N-O 2.8Å; V43-K73 PolarHBondContact O-N 3.36Å; F71-K73 HydrophobicContact CD2-CB 4.26Å; K73-Y75 HydrophobicContact CB-CD2 4.13Å; K73-Y75 HydrophobicContact CB-CE2 3.73Å; K73-Y75 HydrophobicContact CD-CD2 4.45Å; K73-Y75 HydrophobicContact CD-CE1 4.41Å; K73-Y75 HydrophobicContact CD-CE2 3.69Å; K73-Y75 HydrophobicContact CG-CD2 4.07Å; K73-Y75 HydrophobicContact CG-CE2 3.71Å
74V96.7Very high97.4Very high15 Ų1560 Ų609%0.09128%0.277CS..EExtended strand (participates in β ladder)trans-91.1129.5167.3-179.40000109.3H40 A41 L42 F101H40-V74 HydrophobicContact CB-CG1 4.06Å; H40-V74 VanDerWaalsContact CD2-CG1 3.46Å; H40-V74 WeakPolarHBondContact CD2-CG1 3.26Å; A41-V74 CarbonylContact O-C 3.59Å; A41-V74 VanDerWaalsContact O-CA 3.31Å; A41-V74 WeakPolarHBondContact O-CA 3.5Å; L42-V74 HydrophobicContact CD1-CG2 4.04Å; V74-F101 HydrophobicContact CG2-CD2 4.13Å; V74-F101 HydrophobicContact CG2-CE2 3.5Å; V74-F101 VanDerWaalsContact CG2-CE2 3.5Å; V74-F101 HydrophobicContact CG2-CZ 4.03Å
75Y97.6Very high97.4Very high7 Ų757.2 Ų57.23%0.02726%0.263CS..EExtended strand (participates in β ladder)trans-123.2138.2176.9-82.3-82.5000111V13 Y18 H40 A41 V43 F71 K73 H79 L80V13-Y75 HydrophobicContact CG1-CD1 4.35Å; V13-Y75 HydrophobicContact CG1-CE1 3.55Å; V13-Y75 HydrophobicContact CG1-CE2 4.23Å; V13-Y75 VanDerWaalsContact CG1-CZ 3.47Å; V13-Y75 WeakPolarHBondContact CG1-OH 3.46Å; V13-Y75 HydrophobicContact CG2-CE2 4.01Å; Y18-Y75 WeakPolarHBondContact CD2-OH 3.41Å; H40-Y75 CarbonylContact C-O 3.48Å; H40-Y75 WeakPolarHBondContact CA-O 3.45Å; H40-Y75 WeakPolarHBondContact CB-O 3.4Å; A41-Y75 PolarHBondContact N-O 3.43Å; A41-Y75 PolarHBondContact O-N 3.12Å; V43-Y75 HydrophobicContact CG2-CD2 3.59Å; V43-Y75 HydrophobicContact CG2-CE2 4.01Å; F71-Y75 HydrophobicContact CE2-CE2 4.19Å; K73-Y75 HydrophobicContact CB-CD2 4.13Å; K73-Y75 HydrophobicContact CB-CE2 3.73Å; K73-Y75 HydrophobicContact CD-CD2 4.45Å; K73-Y75 HydrophobicContact CD-CE1 4.41Å; K73-Y75 HydrophobicContact CD-CE2 3.69Å; K73-Y75 HydrophobicContact CG-CD2 4.07Å; K73-Y75 HydrophobicContact CG-CE2 3.71Å; Y75-H79 HydrophobicContact CD1-CB 3.94Å; Y75-L80 HydrophobicContact CD2-CD2 4.31Å; Y75-L80 HydrophobicContact CG-CD2 3.98Å; Y75-L80 HydrophobicContact CG-CG 4.48Å
76N97.6Very high97.3Very high30 Ų3057.7 Ų57.716%0.1628%0.276CS..EExtended strand (participates in β ladder)trans-60.4144160.6-175.7-41.6000108.9Y38 N78 H79Y38-N76 HydrophobicContact CD2-CB 3.9Å; Y38-N76 VanDerWaalsContact CD2-ND2 3.28Å; Y38-N76 WeakPolarHBondContact CD2-ND2 3.34Å; Y38-N76 HydrophobicContact CE2-CB 3.81Å; N76-N78 PolarHBondContact O-N 2.84Å; N76-N78 PolarHBondContact OD1-N 3.4Å; N76-H79 WeakPolarHBondContact O-CB 3.47Å; N76-H79 PolarHBondContact O-N 3.49Å
77Y97.4Very high97.2Very high40 Ų4056.9 Ų56.916%0.15727%0.271CS..G310 helixtrans-58.1-34.3177.5-74.21000113.8M5 N28 I29 D30 S39 H40 A41 H79 L80M5-Y77 HydrophobicContact CB-CE2 4.2Å; M5-Y77 HydrophobicContact CE-CD1 3.77Å; M5-Y77 HydrophobicContact CE-CE1 3.94Å; M5-Y77 HydrophobicContact CE-CG 4.11Å; M5-Y77 HydrophobicContact CG-CE2 4.37Å; N28-Y77 WeakPolarHBondContact CB-OH 3.24Å; I29-Y77 PolarHBondContact N-OH 2.82Å; D30-Y77 PolarHBondContact OD1-OH 3.43Å; S39-Y77 PolarHBondContact O-N 2.94Å; H40-Y77 VanDerWaalsContact O-CE1 3.23Å; H40-Y77 WeakPolarHBondContact O-CE1 3.36Å; H40-Y77 PolarHBondContact O-OH 3.1Å; A41-Y77 HydrophobicContact CB-CD1 4.36Å; A41-Y77 HydrophobicContact CB-CE1 3.64Å; Y77-H79 PolarHBondContact O-N 2.96Å; Y77-H79 VanDerWaalsContact O-N 3.11Å; Y77-L80 HydrophobicContact CD1-CD1 4.42Å; Y77-L80 PolarHBondContact O-N 2.78Å
78N97.5Very high96.7Very high131 Ų13157.6 Ų57.670%0.70128%0.28SS*.G310 helixtrans-62.5-22.5177.1-64-11.7000112.4N76 L80N76-N78 PolarHBondContact O-N 2.84Å; N76-N78 PolarHBondContact OD1-N 3.4Å; N78-L80 VanDerWaalsContact C-N 3.33Å
79H98.2Very high96.2Very high84 Ų8458.3 Ų58.339%0.38928%0.283SS..G310 helixtrans-91.96.5176.6-55.8153.4000113.1L14 A15 Y75 N76 Y77L14-H79 PolarHBondContact N-O 3.38Å; A15-H79 HydrophobicContact CB-CB 4.17Å; Y75-H79 HydrophobicContact CD1-CB 3.94Å; N76-H79 WeakPolarHBondContact O-CB 3.47Å; N76-H79 PolarHBondContact O-N 3.49Å; Y77-H79 PolarHBondContact O-N 2.96Å; Y77-H79 VanDerWaalsContact O-N 3.11Å
80L98.1Very high95.7Very high8 Ų859.1 Ų59.14%0.04230%0.296CS..EExtended strand (participates in β ladder)trans-122.6128.6179.9-63.1178.2000110M5 V11 M12 V13 A41 V43 Y75 Y77 N78M5-L80 HydrophobicContact CE-CB 4.31Å; M5-L80 HydrophobicContact CE-CD1 4.01Å; V11-L80 HydrophobicContact CB-CB 4.4Å; V11-L80 HydrophobicContact CB-CD2 4.42Å; V11-L80 HydrophobicContact CG2-CD1 4.31Å; V11-L80 HydrophobicContact CG2-CD2 3.94Å; M12-L80 CarbonylContact O-C 3.55Å; M12-L80 WeakPolarHBondContact O-CA 3.17Å; V13-L80 HydrophobicContact CG2-CD2 4.07Å; A41-L80 HydrophobicContact CB-CD1 4.21Å; V43-L80 HydrophobicContact CG1-CD1 4.09Å; Y75-L80 HydrophobicContact CD2-CD2 4.31Å; Y75-L80 HydrophobicContact CG-CD2 3.98Å; Y75-L80 HydrophobicContact CG-CG 4.48Å; Y77-L80 HydrophobicContact CD1-CD1 4.42Å; Y77-L80 PolarHBondContact O-N 2.78Å; N78-L80 VanDerWaalsContact C-N 3.33Å
81M97.9Very high95.2Very high94 Ų9459.8 Ų59.846%0.46330%0.299SS..EExtended strand (participates in β ladder)trans-92.2116.3166.4-174.4-179-172.200109V11 M12 L14V11-M81 CarbonylContact C-O 3.58Å; V11-M81 WeakPolarHBondContact CA-O 3.33Å; M12-M81 HydrophobicContact CB-CB 4.29Å; M12-M81 HydrophobicContact CE-SD 3.85Å; M12-M81 PolarHBondContact N-O 2.85Å; M12-M81 PolarHBondContact O-N 3.12Å; L14-M81 HydrophobicContact CD1-CB 4.09Å; L14-M81 HydrophobicContact CD2-CB 3.89Å; L14-M81 HydrophobicContact CG-CB 4.04Å
82P97.3Very high94.7Very high61 Ų6163 Ų6340%0.39632%0.316SS..EExtended strand (participates in β ladder)trans-65.6146.7174.128.7-34.8000110.5F4 M5F4-P82 HydrophobicContact CD2-CB 4.14Å; F4-P82 HydrophobicContact CE2-CB 3.87Å; F4-P82 HydrophobicContact CE2-CG 3.85Å; M5-P82 HydrophobicContact SD-CB 3.92Å
83T97.6Very high94.2Very high29 Ų2969.9 Ų69.918%0.17835%0.346CS..EExtended strand (participates in β ladder)trans-124.4160.917579.10000110.4V10 M12 Y85 W129V10-T83 WeakPolarHBondContact O-CB 3.23Å; V10-T83 PolarHBondContact O-N 3.26Å; V10-T83 PolarHBondContact O-OG1 3Å; M12-T83 HydrophobicContact CG-CG2 3.87Å; T83-Y85 PolarHBondContact O-N 3.14Å; T83-Y85 PolarHBondContact OG1-N 2.92Å; T83-W129 HydrophobicContact CG2-CH2 3.99Å; T83-W129 HydrophobicContact CG2-CZ3 4.49Å
84R97Very high93.8Very high232 Ų23271.3 Ų71.388%0.87536%0.361SS*.EExtended strand (participates in β ladder)trans-62.8-29.1174.9-174-178-66.9178.8-0.6112.3
85Y97.4Very high93.4Very high113 Ų11371.7 Ų71.744%0.44336%0.363SS..EExtended strand (participates in β ladder)trans-71.4142.8-170.1-58.9-75000112.6V10 T83 W129V10-Y85 WeakPolarHBondContact CB-O 3.29Å; V10-Y85 PolarHBondContact N-O 2.96Å; T83-Y85 PolarHBondContact O-N 3.14Å; T83-Y85 PolarHBondContact OG1-N 2.92Å; Y85-W129 AromaticContact CD2-CD2 3.68Å; Y85-W129 HydrophobicContact CD2-CD2 3.68Å; Y85-W129 AromaticContact CD2-CE3 3.4Å; Y85-W129 HydrophobicContact CD2-CE3 3.4Å; Y85-W129 VanDerWaalsContact CD2-CE3 3.4Å; Y85-W129 HydrophobicContact CD2-CG 4.4Å; Y85-W129 AromaticContact CD2-CH2 3.95Å; Y85-W129 HydrophobicContact CD2-CH2 3.95Å; Y85-W129 HydrophobicContact CD2-CZ2 4.19Å; Y85-W129 AromaticContact CD2-CZ3 3.54Å; Y85-W129 HydrophobicContact CD2-CZ3 3.54Å; Y85-W129 HydrophobicContact CE1-CG 4.48Å; Y85-W129 AromaticContact CE2-CD2 3.44Å; Y85-W129 HydrophobicContact CE2-CD2 3.44Å; Y85-W129 VanDerWaalsContact CE2-CD2 3.44Å; Y85-W129 AromaticContact CE2-CE2 3.52Å; Y85-W129 AromaticContact CE2-CE3 3.72Å; Y85-W129 HydrophobicContact CE2-CE3 3.72Å; Y85-W129 AromaticContact CE2-CG 3.89Å; Y85-W129 HydrophobicContact CE2-CG 3.89Å; Y85-W129 HydrophobicContact CE2-CH2 4.15Å; Y85-W129 AromaticContact CE2-CZ2 3.9Å; Y85-W129 HydrophobicContact CE2-CZ2 3.9Å; Y85-W129 HydrophobicContact CE2-CZ3 4.05Å; Y85-W129 AromaticContact CE2-NE1 3.92Å; Y85-W129 HydrophobicContact CG-CD2 4.4Å; Y85-W129 AromaticContact CG-CE3 3.98Å; Y85-W129 HydrophobicContact CG-CE3 3.98Å; Y85-W129 HydrophobicContact CG-CZ3 4.34Å; Y85-W129 AromaticContact CZ-CG 3.94Å
86S95.5Very high93Very high74 Ų7471.5 Ų71.552%0.51736%0.363SS..EExtended strand (participates in β ladder)trans-117.8150.6165.6510000109.8G8 N127G8-S86 WeakPolarHBondContact O-CA 3.41Å; S86-N127 PolarHBondContact O-ND2 3.37Å
87V92.3Very high92.8Very high3 Ų372.2 Ų72.22%0.01837%0.366CS..  trans-134.8113177.1171.10000106.7G8 V10 V24 I89 N127 F130G8-V87 PolarHBondContact O-N 3.31Å; V10-V87 HydrophobicContact CG2-CB 3.94Å; V10-V87 HydrophobicContact CG2-CG2 3.32Å; V24-V87 HydrophobicContact CG2-CB 4.05Å; V24-V87 HydrophobicContact CG2-CG1 4.27Å; V87-I89 HydrophobicContact CG1-CB 4.25Å; V87-I89 HydrophobicContact CG1-CD1 3.24Å; V87-I89 HydrophobicContact CG1-CG1 3.4Å; V87-I89 VanDerWaalsContact CG1-CG1 3.4Å; V87-I89 PolarHBondContact O-N 2.88Å; V87-N127 HydrophobicContact CG2-CB 4.09Å; V87-F130 HydrophobicContact CG2-CB 4.01Å; V87-F130 HydrophobicContact CG2-CD2 4.36Å; V87-F130 HydrophobicContact CG2-CG 4.05Å
88D86.4Confident92.4Very high124 Ų12472.6 Ų72.666%0.66337%0.369SS*.  trans-85.992.2172.7-17525000109R121D88-R121 PolarHBondContact O-NH1 3.01Å
89I88.8Confident91.9Very high17 Ų1769.8 Ų69.89%0.08735%0.354CS..  trans-119.4117.6171.5-70.2169.7000106.4V87 L91 K117 F118 R121 F131V87-I89 HydrophobicContact CG1-CB 4.25Å; V87-I89 HydrophobicContact CG1-CD1 3.24Å; V87-I89 HydrophobicContact CG1-CG1 3.4Å; V87-I89 VanDerWaalsContact CG1-CG1 3.4Å; V87-I89 PolarHBondContact O-N 2.88Å; I89-L91 VanDerWaalsContact C-N 3.34Å; I89-L91 HydrophobicContact CG2-CD2 4.19Å; I89-L91 HydrophobicContact CG2-CG 4.17Å; I89-L91 PolarHBondContact O-N 2.96Å; I89-K117 HydrophobicContact CG2-CB 3.64Å; I89-F118 HydrophobicContact CD1-CD1 3.63Å; I89-F118 HydrophobicContact CD1-CE1 3.85Å; I89-F118 HydrophobicContact CG2-CD1 4.43Å; I89-R121 HydrophobicContact CD1-CB 3.93Å; I89-R121 HydrophobicContact CD1-CG 3.88Å; I89-R121 HydrophobicContact CG1-CB 4.01Å; I89-R121 HydrophobicContact CG1-CG 3.83Å; I89-F131 HydrophobicContact CD1-CZ 4.47Å
90P87.3Confident91.6Very high96 Ų9666 Ų6662%0.62334%0.336SS*.  trans-70.894.8178.128.7-32.9000108.6
91L87.8Confident91.3Very high21 Ų2168.8 Ų68.811%0.1135%0.349CS..  trans-89.5126.4169.3-68.4173.7000108.2V26 I89 K93 A114 K117V26-L91 HydrophobicContact CG2-CD1 3.66Å; I89-L91 VanDerWaalsContact C-N 3.34Å; I89-L91 HydrophobicContact CG2-CD2 4.19Å; I89-L91 HydrophobicContact CG2-CG 4.17Å; I89-L91 PolarHBondContact O-N 2.96Å; L91-K93 PolarHBondContact O-N 3.21Å; L91-A114 HydrophobicContact CD2-CB 4.35Å; L91-K117 HydrophobicContact CD2-CB 4.08Å; L91-K117 HydrophobicContact CD2-CG 4.22Å
92D87.1Confident91Very high67 Ų6774.2 Ų74.236%0.35836%0.364SS..  trans-63.4111.4174.4-174.7-9.1000109.8T94 V95 V96D92-T94 PolarHBondContact O-N 3.04Å; D92-T94 WeakPolarHBondContact OD1-CB 3.18Å; D92-T94 WeakPolarHBondContact OD1-CG2 3.43Å; D92-T94 PolarHBondContact OD1-N 2.72Å; D92-T94 PolarHBondContact OD1-OG1 2.9Å; D92-T94 PolarHBondContact OD2-OG1 2.87Å; D92-V95 HydrophobicContact CB-CB 4.28Å; D92-V95 HydrophobicContact CB-CG2 4.31Å; D92-V95 PolarHBondContact O-N 2.9Å; D92-V95 WeakPolarHBondContact OD2-CG2 3.35Å; D92-V96 PolarHBondContact O-N 3.33Å
93K86.7Confident90.8Very high149 Ų14974.7 Ų74.765%0.64836%0.363SS*.THydrogen-bonded Turntrans-68.6-19.3-179.2-64178.7-177.21730112.2L91 N97L91-K93 PolarHBondContact O-N 3.21Å; K93-N97 WeakPolarHBondContact O-CB 3.44Å
94T87.4Confident90.7Very high102 Ų10277.9 Ų77.963%0.62638%0.384SS*.THydrogen-bonded Turntrans-73.5-35174.573.20000110.9D92 N97D92-T94 PolarHBondContact O-N 3.04Å; D92-T94 WeakPolarHBondContact OD1-CB 3.18Å; D92-T94 WeakPolarHBondContact OD1-CG2 3.43Å; D92-T94 PolarHBondContact OD1-N 2.72Å; D92-T94 PolarHBondContact OD1-OG1 2.9Å; D92-T94 PolarHBondContact OD2-OG1 2.87Å; T94-N97 PolarHBondContact O-ND2 3.03Å
95V88Confident90.6Very high23 Ų2369.2 Ų69.214%0.13936%0.362CS..THydrogen-bonded Turntrans-89-35.7-179.8177.90000112D92 V100 K109 A110 E113D92-V95 HydrophobicContact CB-CB 4.28Å; D92-V95 HydrophobicContact CB-CG2 4.31Å; D92-V95 PolarHBondContact O-N 2.9Å; D92-V95 WeakPolarHBondContact OD2-CG2 3.35Å; V95-V100 WeakPolarHBondContact O-CG1 3.32Å; V95-K109 HydrophobicContact CG1-CG 4.14Å; V95-A110 WeakPolarHBondContact O-CB 3.46Å; V95-E113 HydrophobicContact CG1-CB 3.96Å; V95-E113 HydrophobicContact CG1-CG 4.21Å
96V90.7Very high90.5Very high3 Ų367.5 Ų67.52%0.01836%0.36CS..SBendtrans-10673.1179.2-168.40000109.6V26 L42 V72 D92 A110V26-V96 HydrophobicContact CG1-CB 4.36Å; V26-V96 HydrophobicContact CG1-CG1 4.1Å; V26-V96 HydrophobicContact CG2-CG1 4.12Å; L42-V96 HydrophobicContact CD2-CG1 4.36Å; L42-V96 WeakPolarHBondContact CD2-O 3.15Å; V72-V96 HydrophobicContact CG1-CG1 3.89Å; V72-V96 HydrophobicContact CG2-CG1 4.23Å; D92-V96 PolarHBondContact O-N 3.33Å; V96-A110 HydrophobicContact CG2-CB 4.36Å
97N92.3Very high90.5Very high45 Ų4567.8 Ų67.824%0.24135%0.352CS..SBendtrans-116.3-173.4179.367.435.4000112.2L42 K93 T94 D99 V100L42-N97 VanDerWaalsContact CD2-C 3.48Å; L42-N97 WeakPolarHBondContact CD2-O 3.17Å; K93-N97 WeakPolarHBondContact O-CB 3.44Å; T94-N97 PolarHBondContact O-ND2 3.03Å; N97-D99 WeakPolarHBondContact OD1-CA 3.43Å; N97-D99 WeakPolarHBondContact OD1-CB 3.28Å; N97-D99 PolarHBondContact OD1-N 2.8Å; N97-V100 WeakPolarHBondContact O-CG2 3.39Å; N97-V100 WeakPolarHBondContact OD1-CG1 3.35Å; N97-V100 PolarHBondContact OD1-N 3.42Å; N97-V100 VanDerWaalsContact OD1-N 3.08Å
98K88.5Confident90.6Very high49 Ų4975.7 Ų75.721%0.21338%0.382CS..SBendtrans-75.3-29.8176.7-74.1-169.2173.2-168.70112.8T33 H40 V100 F101T33-K98 PolarHBondContact OG1-NZ 3.19Å; H40-K98 PolarHBondContact NE2-NZ 3.01Å; K98-V100 PolarHBondContact O-N 2.99Å; K98-F101 WeakPolarHBondContact O-CD2 3.41Å; K98-F101 PolarHBondContact O-N 3.4Å
99D88.6Confident91.1Very high71 Ų7176.1 Ų76.138%0.3838%0.378SS..G310 helixtrans-71.2-16.4-175.8-54.9-58.2000112.9N97 F101 R102N97-D99 WeakPolarHBondContact OD1-CA 3.43Å; N97-D99 WeakPolarHBondContact OD1-CB 3.28Å; N97-D99 PolarHBondContact OD1-N 2.8Å; D99-F101 PolarHBondContact O-N 3.29Å; D99-R102 WeakPolarHBondContact O-CB 3.35Å; D99-R102 PolarHBondContact O-N 2.83Å; D99-R102 IonicContact OD1-CZ 3.43Å; D99-R102 IonicContact OD1-NE 3.63Å; D99-R102 IonicContact OD1-NH1 3.85Å; D99-R102 IonicContact OD1-NH2 3.55Å
100V92Very high91.4Very high4 Ų475.3 Ų75.32%0.02437%0.373CS..G310 helixtrans-56.2-17.2173.7-51.70000114V72 V95 N97 K98 L106 K107 A110V72-V100 HydrophobicContact CG1-CG2 4.45Å; V95-V100 WeakPolarHBondContact O-CG1 3.32Å; N97-V100 WeakPolarHBondContact O-CG2 3.39Å; N97-V100 WeakPolarHBondContact OD1-CG1 3.35Å; N97-V100 PolarHBondContact OD1-N 3.42Å; N97-V100 VanDerWaalsContact OD1-N 3.08Å; K98-V100 PolarHBondContact O-N 2.99Å; V100-L106 HydrophobicContact CB-CB 4.44Å; V100-K107 WeakPolarHBondContact O-CB 3.41Å; V100-K107 PolarHBondContact O-N 2.96Å; V100-A110 HydrophobicContact CB-CB 4.33Å; V100-A110 HydrophobicContact CG1-CB 3.98Å
101F90.4Very high91.9Very high68 Ų6874.9 Ų74.930%0.29836%0.36SS..G310 helixtrans-85.5-10178.4-60-71000113.8L42 V72 V74 K98 D99 K107L42-F101 HydrophobicContact CD1-CE2 3.66Å; L42-F101 HydrophobicContact CD1-CZ 3.8Å; V72-F101 HydrophobicContact CG1-CZ 4.08Å; V74-F101 HydrophobicContact CG2-CD2 4.13Å; V74-F101 HydrophobicContact CG2-CE2 3.5Å; V74-F101 VanDerWaalsContact CG2-CE2 3.5Å; V74-F101 HydrophobicContact CG2-CZ 4.03Å; K98-F101 WeakPolarHBondContact O-CD2 3.41Å; K98-F101 PolarHBondContact O-N 3.4Å; D99-F101 PolarHBondContact O-N 3.29Å; F101-K107 HydrophobicContact CD1-CD 4.29Å
102R91.3Very high92.3Very high208 Ų20882.7 Ų82.779%0.78539%0.387SS*.THydrogen-bonded Turntrans-76.7-34177.2-62.2-178.9-179.6177.51.9112.4D99D99-R102 WeakPolarHBondContact O-CB 3.35Å; D99-R102 PolarHBondContact O-N 2.83Å; D99-R102 IonicContact OD1-CZ 3.43Å; D99-R102 IonicContact OD1-NE 3.63Å; D99-R102 IonicContact OD1-NH1 3.85Å; D99-R102 IonicContact OD1-NH2 3.55Å
103D93.9Very high92.7Very high71 Ų7181.8 Ų81.838%0.3838%0.381SS..  trans-125.5124.3-178.3177.12.1000111.7A105 L106 K107D103-A105 PolarHBondContact O-N 2.96Å; D103-A105 WeakPolarHBondContact OD1-CB 3.41Å; D103-A105 PolarHBondContact OD1-N 3.23Å; D103-L106 HydrophobicContact CB-CB 4.26Å; D103-L106 HydrophobicContact CB-CD1 4.02Å; D103-L106 HydrophobicContact CB-CG 3.95Å; D103-L106 PolarHBondContact O-N 3.37Å; D103-K107 PolarHBondContact O-N 3.02Å
104P94.8Very high93.2Very high96 Ų9674.7 Ų74.762%0.62335%0.35SS*.Hα-helixtrans-51.8-33.4172.1-26.935.1000115.3R108P104-R108 PolarHBondContact O-N 3.5Å
105A95.6Very high93.6Very high50 Ų5073.3 Ų73.341%0.41334%0.336SS..Hα-helixtrans-68.7-46.2178.500000111.4D103 K107 R108 K109D103-A105 PolarHBondContact O-N 2.96Å; D103-A105 WeakPolarHBondContact OD1-CB 3.41Å; D103-A105 PolarHBondContact OD1-N 3.23Å; A105-K107 VanDerWaalsContact C-N 3.33Å; A105-K107 PolarHBondContact O-N 3.28Å; A105-R108 WeakPolarHBondContact O-CA 3.21Å; A105-R108 WeakPolarHBondContact O-CB 3.28Å; A105-R108 PolarHBondContact O-N 3.09Å; A105-K109 PolarHBondContact O-N 2.87Å
106L95.2Very high94Very high77 Ų7775.4 Ų75.440%0.40335%0.346SS..Hα-helixtrans-59.3-43.4173.1-64.4-179000111.5V100 D103 R108 K109 A110V100-L106 HydrophobicContact CB-CB 4.44Å; D103-L106 HydrophobicContact CB-CB 4.26Å; D103-L106 HydrophobicContact CB-CD1 4.02Å; D103-L106 HydrophobicContact CB-CG 3.95Å; D103-L106 PolarHBondContact O-N 3.37Å; L106-R108 PolarHBondContact O-N 3.02Å; L106-K109 WeakPolarHBondContact O-CB 3.19Å; L106-K109 PolarHBondContact O-N 2.62Å; L106-K109 VanDerWaalsContact O-N 3.12Å; L106-A110 PolarHBondContact O-N 2.84Å
107K94.8Very high94.3Very high80 Ų8077.8 Ų77.835%0.34836%0.356SS..Hα-helixtrans-60.9-33.3174.6-163171.9-177174.20113V100 F101 D103 A105 R111V100-K107 WeakPolarHBondContact O-CB 3.41Å; V100-K107 PolarHBondContact O-N 2.96Å; F101-K107 HydrophobicContact CD1-CD 4.29Å; D103-K107 PolarHBondContact O-N 3.02Å; A105-K107 VanDerWaalsContact C-N 3.33Å; A105-K107 PolarHBondContact O-N 3.28Å; K107-R111 WeakPolarHBondContact O-CG 3.5Å; K107-R111 PolarHBondContact O-N 3.09Å; K107-R111 PolarHBondContact O-NE 2.9Å
108R95.9Very high94.5Very high168 Ų16875.7 Ų75.763%0.63434%0.344SS*.Hα-helixtrans-71.2-40.9175.5-165.2-175.4-66.5138.2-2.1110.7P104 A105 L106 R111 R112P104-R108 PolarHBondContact O-N 3.5Å; A105-R108 WeakPolarHBondContact O-CA 3.21Å; A105-R108 WeakPolarHBondContact O-CB 3.28Å; A105-R108 PolarHBondContact O-N 3.09Å; L106-R108 PolarHBondContact O-N 3.02Å; R108-R111 PolarHBondContact O-N 2.91Å; R108-R112 PolarHBondContact O-N 2.89Å
109K95.8Very high94.9Very high133 Ų13375 Ų7558%0.57834%0.342SS*.Hα-helixtrans-61.1-49.8174.6-168.9179.2179.4-177.80111.3V95 A105 L106 R111 R112 E113V95-K109 HydrophobicContact CG1-CG 4.14Å; A105-K109 PolarHBondContact O-N 2.87Å; L106-K109 WeakPolarHBondContact O-CB 3.19Å; L106-K109 PolarHBondContact O-N 2.62Å; L106-K109 VanDerWaalsContact O-N 3.12Å; K109-R111 PolarHBondContact O-N 2.84Å; K109-R112 WeakPolarHBondContact O-CB 3.43Å; K109-R112 PolarHBondContact O-N 3.3Å; K109-E113 PolarHBondContact O-N 2.78Å
110A95.9Very high95.2Very high0 Ų076 Ų760%034%0.344CS..Hα-helixtrans-58.9-41.7177.700000113.5V72 V95 V96 V100 L106 E113 A114V72-A110 HydrophobicContact CG2-CB 4.31Å; V95-A110 WeakPolarHBondContact O-CB 3.46Å; V96-A110 HydrophobicContact CG2-CB 4.36Å; V100-A110 HydrophobicContact CB-CB 4.33Å; V100-A110 HydrophobicContact CG1-CB 3.98Å; L106-A110 PolarHBondContact O-N 2.84Å; A110-E113 PolarHBondContact O-N 3.27Å; A110-A114 WeakPolarHBondContact O-CB 3.19Å; A110-A114 PolarHBondContact O-N 3.47Å
111R96.8Very high95.4Very high88 Ų8878.8 Ų78.833%0.33235%0.354SS..Hα-helixtrans-66.9-35.7174.8-76.5-175.2-66.9154-4112.9V72 K107 R108 K109 K115V72-R111 HydrophobicContact CG2-CG 4.24Å; K107-R111 WeakPolarHBondContact O-CG 3.5Å; K107-R111 PolarHBondContact O-N 3.09Å; K107-R111 PolarHBondContact O-NE 2.9Å; R108-R111 PolarHBondContact O-N 2.91Å; K109-R111 PolarHBondContact O-N 2.84Å; R111-K115 VanDerWaalsContact O-CB 3.28Å; R111-K115 WeakPolarHBondContact O-CB 3.18Å; R111-K115 PolarHBondContact O-N 3.06Å
112R96.4Very high95.6Very high184 Ų18478.2 Ų78.269%0.69435%0.351SS*.Hα-helixtrans-66.9-44.4176.7178.7179.7-90.2-178-6.3110.3R108 K109 K115 I116R108-R112 PolarHBondContact O-N 2.89Å; K109-R112 WeakPolarHBondContact O-CB 3.43Å; K109-R112 PolarHBondContact O-N 3.3Å; R112-K115 WeakPolarHBondContact O-CB 3.31Å; R112-K115 PolarHBondContact O-N 3.03Å; R112-I116 HydrophobicContact CG-CD1 4.02Å; R112-I116 WeakPolarHBondContact O-CG1 3.46Å; R112-I116 PolarHBondContact O-N 3.47Å
113E95.9Very high95.7Very high49 Ų4976 Ų7623%0.22935%0.347CS..Hα-helixtrans-59.3-53.8176.6-17458.1-152.200111.3V95 K109 A110 K115 I116 K117V95-E113 HydrophobicContact CG1-CB 3.96Å; V95-E113 HydrophobicContact CG1-CG 4.21Å; K109-E113 PolarHBondContact O-N 2.78Å; A110-E113 PolarHBondContact O-N 3.27Å; E113-K115 VanDerWaalsContact C-N 3.26Å; E113-K115 PolarHBondContact O-N 3.35Å; E113-I116 PolarHBondContact O-N 2.87Å; E113-I116 VanDerWaalsContact O-N 3.09Å; E113-K117 PolarHBondContact O-N 3.02Å; E113-K117 VanDerWaalsContact O-N 3.09Å; E113-K117 WeakPolarHBondContact OE1-CE 3.13Å
114A96.6Very high95.7Very high0 Ų076.5 Ų76.50%035%0.352CS..Hα-helixtrans-55.8-40.8176.700000112.7S44 A70 V72 L91 A110 F118S44-A114 WeakPolarHBondContact OG-CB 3.4Å; A70-A114 HydrophobicContact CB-CB 3.88Å; V72-A114 HydrophobicContact CG2-CB 4.47Å; L91-A114 HydrophobicContact CD2-CB 4.35Å; A110-A114 WeakPolarHBondContact O-CB 3.19Å; A110-A114 PolarHBondContact O-N 3.47Å; A114-F118 VanDerWaalsContact O-CB 3.32Å; A114-F118 WeakPolarHBondContact O-CB 3.19Å; A114-F118 WeakPolarHBondContact O-CD2 3.37Å; A114-F118 WeakPolarHBondContact O-CG 3.36Å; A114-F118 PolarHBondContact O-N 2.87Å
115K96.8Very high95.6Very high72 Ų7274 Ų7431%0.31334%0.344SS..Hα-helixtrans-60.4-49.3176.3173.2-170.5170.1-156.30111.4I68 A70 R111 R112 E113 K117 F118 E119I68-K115 WeakPolarHBondContact O-CD 3.37Å; I68-K115 WeakPolarHBondContact O-CE 3.41Å; I68-K115 WeakPolarHBondContact O-CG 3.35Å; A70-K115 HydrophobicContact CB-CB 4.15Å; R111-K115 VanDerWaalsContact O-CB 3.28Å; R111-K115 WeakPolarHBondContact O-CB 3.18Å; R111-K115 PolarHBondContact O-N 3.06Å; R112-K115 WeakPolarHBondContact O-CB 3.31Å; R112-K115 PolarHBondContact O-N 3.03Å; E113-K115 VanDerWaalsContact C-N 3.26Å; E113-K115 PolarHBondContact O-N 3.35Å; K115-K117 PolarHBondContact O-N 3.47Å; K115-F118 PolarHBondContact O-N 3.2Å; K115-E119 VanDerWaalsContact CE-CD 3.49Å; K115-E119 WeakPolarHBondContact CE-OE1 3.36Å; K115-E119 HydrophobicContact CG-CG 4.41Å; K115-E119 IonicContact NZ-OE1 3.87Å; K115-E119 WeakPolarHBondContact O-CG 3.45Å; K115-E119 PolarHBondContact O-N 3.07Å
116I96.5Very high95.4Very high68 Ų6877.6 Ų77.635%0.34935%0.35SS..Hα-helixtrans-59.2-50.1-177.3-69.6165000109.4R112 E113 F118 E119 E120R112-I116 HydrophobicContact CG-CD1 4.02Å; R112-I116 WeakPolarHBondContact O-CG1 3.46Å; R112-I116 PolarHBondContact O-N 3.47Å; E113-I116 PolarHBondContact O-N 2.87Å; E113-I116 VanDerWaalsContact O-N 3.09Å; I116-F118 VanDerWaalsContact C-N 3.34Å; I116-F118 PolarHBondContact O-N 3.32Å; I116-E119 PolarHBondContact O-N 3.07Å; I116-E119 VanDerWaalsContact O-N 3.14Å; I116-E120 HydrophobicContact CG2-CG 4.45Å; I116-E120 WeakPolarHBondContact CG2-OE1 3.31Å; I116-E120 WeakPolarHBondContact O-CG 3.33Å; I116-E120 PolarHBondContact O-N 2.83Å
117K96.3Very high95.4Very high53 Ų5376 Ų7623%0.2334%0.342CS..Hα-helixtrans-62.5-37.8179-61.7-57.9179.9-169.20113.4I89 L91 E113 K115 E120 R121I89-K117 HydrophobicContact CG2-CB 3.64Å; L91-K117 HydrophobicContact CD2-CB 4.08Å; L91-K117 HydrophobicContact CD2-CG 4.22Å; E113-K117 PolarHBondContact O-N 3.02Å; E113-K117 VanDerWaalsContact O-N 3.09Å; E113-K117 WeakPolarHBondContact OE1-CE 3.13Å; K115-K117 PolarHBondContact O-N 3.47Å; K117-E120 WeakPolarHBondContact CD-OE2 3.15Å; K117-E120 IonicContact NZ-OE2 3.52Å; K117-R121 WeakPolarHBondContact O-CB 3.44Å; K117-R121 PolarHBondContact O-N 3.36Å
118F97Very high95.4Very high0 Ų079.9 Ų79.90%036%0.359CS..Hα-helixtrans-66.7-40.7174.1-70.5-10.3000112.5S44 I46 I68 A70 I89 A114 K115 I116 Y122 F130 F131S44-F118 WeakPolarHBondContact OG-CZ 3.3Å; I46-F118 HydrophobicContact CG1-CD2 4.02Å; I46-F118 HydrophobicContact CG1-CE2 4.18Å; I68-F118 HydrophobicContact CD1-CB 4.11Å; I68-F118 HydrophobicContact CG2-CB 4.28Å; I68-F118 HydrophobicContact CG2-CD2 4.41Å; A70-F118 HydrophobicContact CB-CD2 3.98Å; A70-F118 HydrophobicContact CB-CE2 4.09Å; I89-F118 HydrophobicContact CD1-CD1 3.63Å; I89-F118 HydrophobicContact CD1-CE1 3.85Å; I89-F118 HydrophobicContact CG2-CD1 4.43Å; A114-F118 VanDerWaalsContact O-CB 3.32Å; A114-F118 WeakPolarHBondContact O-CB 3.19Å; A114-F118 WeakPolarHBondContact O-CD2 3.37Å; A114-F118 WeakPolarHBondContact O-CG 3.36Å; A114-F118 PolarHBondContact O-N 2.87Å; K115-F118 PolarHBondContact O-N 3.2Å; I116-F118 VanDerWaalsContact C-N 3.34Å; I116-F118 PolarHBondContact O-N 3.32Å; F118-Y122 VanDerWaalsContact O-CB 3.29Å; F118-Y122 WeakPolarHBondContact O-CB 3.13Å; F118-Y122 PolarHBondContact O-N 3.06Å; F118-F130 HydrophobicContact CD1-CE1 4.38Å; F118-F130 HydrophobicContact CE1-CE1 4.18Å; F118-F130 HydrophobicContact CE1-CZ 4.36Å; F118-F130 HydrophobicContact CZ-CE1 4.34Å; F118-F130 HydrophobicContact CZ-CZ 4.17Å; F118-F131 HydrophobicContact CB-CE1 4.17Å; F118-F131 WeakPolarHBondContact O-CE1 3.32Å; F118-F131 WeakPolarHBondContact O-CZ 3.41Å
119E96Very high95.4Very high34 Ų3475.2 Ų75.216%0.15934%0.341CS..Hα-helixtrans-68.5-40.8177.3-72.6-179.3171.800111.8K67 I68 K115 I116 Y122 K123K67-E119 VanDerWaalsContact CA-OE1 3.3Å; K67-E119 WeakPolarHBondContact CA-OE1 3.4Å; I68-E119 HydrophobicContact CB-CG 3.92Å; I68-E119 HydrophobicContact CD1-CG 4.32Å; I68-E119 HydrophobicContact CG1-CG 4.02Å; I68-E119 PolarHBondContact N-OE1 2.83Å; K115-E119 VanDerWaalsContact CE-CD 3.49Å; K115-E119 WeakPolarHBondContact CE-OE1 3.36Å; K115-E119 HydrophobicContact CG-CG 4.41Å; K115-E119 IonicContact NZ-OE1 3.87Å; K115-E119 WeakPolarHBondContact O-CG 3.45Å; K115-E119 PolarHBondContact O-N 3.07Å; I116-E119 PolarHBondContact O-N 3.07Å; I116-E119 VanDerWaalsContact O-N 3.14Å; E119-Y122 PolarHBondContact O-N 3.29Å; E119-K123 VanDerWaalsContact O-CG 3.3Å; E119-K123 WeakPolarHBondContact O-CG 3.45Å; E119-K123 PolarHBondContact O-N 2.83Å; E119-K123 VanDerWaalsContact O-N 3.12Å
120E95.1Very high95.5Very high94 Ų9469 Ų6944%0.43931%0.314SS..Hα-helixtrans-57.9-52.2172.7-75.4172.3-179.400110.9I116 K117 Y122 K123 T124I116-E120 HydrophobicContact CG2-CG 4.45Å; I116-E120 WeakPolarHBondContact CG2-OE1 3.31Å; I116-E120 WeakPolarHBondContact O-CG 3.33Å; I116-E120 PolarHBondContact O-N 2.83Å; K117-E120 WeakPolarHBondContact CD-OE2 3.15Å; K117-E120 IonicContact NZ-OE2 3.52Å; E120-Y122 VanDerWaalsContact C-N 3.35Å; E120-Y122 PolarHBondContact O-N 3.2Å; E120-K123 PolarHBondContact O-N 2.88Å; E120-T124 PolarHBondContact O-N 2.93Å
121R95.6Very high95.6Very high61 Ų6169.3 Ų69.323%0.2332%0.316CS..Hα-helixtrans-63.2-40.4179.7-172.465.9173.8-157.4-2.5112.1D88 I89 K117 K123 T124 N127 F131D88-R121 PolarHBondContact O-NH1 3.01Å; I89-R121 HydrophobicContact CD1-CB 3.93Å; I89-R121 HydrophobicContact CD1-CG 3.88Å; I89-R121 HydrophobicContact CG1-CB 4.01Å; I89-R121 HydrophobicContact CG1-CG 3.83Å; K117-R121 WeakPolarHBondContact O-CB 3.44Å; K117-R121 PolarHBondContact O-N 3.36Å; R121-K123 VanDerWaalsContact C-N 3.32Å; R121-K123 PolarHBondContact O-N 2.93Å; R121-T124 PolarHBondContact O-N 2.52Å; R121-T124 PolarHBondContact O-OG1 3.31Å; R121-N127 VanDerWaalsContact CZ-OD1 3.3Å; R121-N127 PolarHBondContact NE-OD1 3.02Å; R121-N127 PolarHBondContact NH2-OD1 2.68Å; R121-F131 HydrophobicContact CB-CE2 4.36Å; R121-F131 HydrophobicContact CB-CZ 3.97Å; R121-F131 HydrophobicContact CG-CE2 4Å; R121-F131 HydrophobicContact CG-CZ 4.04Å
122Y95.4Very high95.6Very high57 Ų5771.1 Ų71.122%0.22433%0.328CS..Hα-helixtrans-60.5-40.7178.1175.4-114.4000112.4P50 I68 F118 E119 E120 T124 G125 F131P50-Y122 HydrophobicContact CB-CD1 4.11Å; P50-Y122 HydrophobicContact CB-CE1 3.64Å; P50-Y122 HydrophobicContact CB-CE2 4.11Å; P50-Y122 HydrophobicContact CG-CD1 4.24Å; P50-Y122 HydrophobicContact CG-CD2 3.85Å; P50-Y122 HydrophobicContact CG-CE1 4.02Å; P50-Y122 HydrophobicContact CG-CE2 3.61Å; P50-Y122 HydrophobicContact CG-CG 4.16Å; I68-Y122 HydrophobicContact CD1-CG 4.4Å; F118-Y122 VanDerWaalsContact O-CB 3.29Å; F118-Y122 WeakPolarHBondContact O-CB 3.13Å; F118-Y122 PolarHBondContact O-N 3.06Å; E119-Y122 PolarHBondContact O-N 3.29Å; E120-Y122 VanDerWaalsContact C-N 3.35Å; E120-Y122 PolarHBondContact O-N 3.2Å; Y122-T124 PolarHBondContact O-N 3.25Å; Y122-G125 PolarHBondContact O-N 3.08Å; Y122-F131 HydrophobicContact CD2-CB 3.72Å; Y122-F131 HydrophobicContact CD2-CD1 4.15Å; Y122-F131 AromaticContact CD2-CD2 3.99Å; Y122-F131 HydrophobicContact CD2-CD2 3.99Å; Y122-F131 AromaticContact CD2-CG 3.68Å; Y122-F131 HydrophobicContact CD2-CG 3.68Å; Y122-F131 HydrophobicContact CE2-CB 4.14Å; Y122-F131 HydrophobicContact CG-CD1 4.43Å; Y122-F131 HydrophobicContact CG-CG 4.36Å
123K93.1Very high95.6Very high162 Ų16268.6 Ų68.670%0.70432%0.322SS*.Hα-helixtrans-62.5-26.3178.4-72.1169.8-176.1176.80113.1E119 E120 R121 G125E119-K123 VanDerWaalsContact O-CG 3.3Å; E119-K123 WeakPolarHBondContact O-CG 3.45Å; E119-K123 PolarHBondContact O-N 2.83Å; E119-K123 VanDerWaalsContact O-N 3.12Å; E120-K123 PolarHBondContact O-N 2.88Å; R121-K123 VanDerWaalsContact C-N 3.32Å; R121-K123 PolarHBondContact O-N 2.93Å; K123-G125 PolarHBondContact O-N 3.12Å
124T93.8Very high95.6Very high81 Ų8168.5 Ų68.550%0.49732%0.323SS..THydrogen-bonded Turntrans-72-9.9175.272.80000114E120 R121 Y122 K126E120-T124 PolarHBondContact O-N 2.93Å; R121-T124 PolarHBondContact O-N 2.52Å; R121-T124 PolarHBondContact O-OG1 3.31Å; Y122-T124 PolarHBondContact O-N 3.25Å; T124-K126 PolarHBondContact O-N 2.96Å; T124-K126 PolarHBondContact OG1-N 3.43Å
125G92.2Very high95.6Very high43 Ų4379.8 Ų79.844%0.44337%0.366SS..THydrogen-bonded Turntrans73.72.1-177.100000115.1Y122 K123 K128Y122-G125 PolarHBondContact O-N 3.08Å; K123-G125 PolarHBondContact O-N 3.12Å; G125-K128 WeakPolarHBondContact O-CG 3.46Å
126K93.1Very high95.3Very high125 Ų12586 Ų8654%0.54339%0.393SS..  trans-80.5161.9177-64-176.9178.9-179.10111.9T124 K128T124-K126 PolarHBondContact O-N 2.96Å; T124-K126 PolarHBondContact OG1-N 3.43Å; K126-K128 VanDerWaalsContact C-N 3.31Å; K126-K128 PolarHBondContact O-N 3.18Å
127N94.5Very high95.3Very high44 Ų4487 Ų8724%0.23540%0.395CS..  trans53.842.2176.5-54.997.5000113.6S86 V87 R121 W129 F130 F131S86-N127 PolarHBondContact O-ND2 3.37Å; V87-N127 HydrophobicContact CG2-CB 4.09Å; R121-N127 VanDerWaalsContact CZ-OD1 3.3Å; R121-N127 PolarHBondContact NE-OD1 3.02Å; R121-N127 PolarHBondContact NH2-OD1 2.68Å; N127-W129 PolarHBondContact O-N 3.4Å; N127-W129 VanDerWaalsContact O-N 3.11Å; N127-F130 HydrophobicContact CB-CB 4.25Å; N127-F130 WeakPolarHBondContact O-CB 3.5Å; N127-F130 PolarHBondContact O-N 2.84Å; N127-F131 HydrophobicContact CB-CD2 4.48Å; N127-F131 HydrophobicContact CB-CE2 4.21Å; N127-F131 WeakPolarHBondContact O-CD2 3.48Å; N127-F131 PolarHBondContact O-N 2.85Å
128K95.1Very high95.2Very high161 Ų16188.7 Ų88.770%0.740%0.404SS*.Hα-helixtrans-47.4-43.4-177.6-64.9-178.3-178.8175.20113G125 K126 F130 F131 Q132G125-K128 WeakPolarHBondContact O-CG 3.46Å; K126-K128 VanDerWaalsContact C-N 3.31Å; K126-K128 PolarHBondContact O-N 3.18Å; K128-F130 VanDerWaalsContact C-N 3.34Å; K128-F130 PolarHBondContact O-N 2.97Å; K128-F131 PolarHBondContact O-N 2.95Å; K128-Q132 WeakPolarHBondContact O-CB 3.42Å; K128-Q132 PolarHBondContact O-N 3.06Å
129W96.5Very high95.1Very high70 Ų7093.7 Ų93.727%0.26543%0.426SS..Hα-helixtrans-59.8-41178.4-172.690.1000112.8V10 M12 K22 T83 Y85 N127 F131 Q132V10-W129 HydrophobicContact CG1-CZ3 3.77Å; M12-W129 HydrophobicContact CG-CH2 4.25Å; M12-W129 HydrophobicContact SD-CH2 4.08Å; M12-W129 HydrophobicContact SD-CZ2 4.37Å; K22-W129 HydrophobicContact CD-CD2 4.49Å; K22-W129 HydrophobicContact CD-CE3 3.98Å; K22-W129 HydrophobicContact CD-CH2 4.02Å; K22-W129 HydrophobicContact CD-CZ3 3.73Å; K22-W129 HydrophobicContact CG-CH2 4.31Å; K22-W129 HydrophobicContact CG-CZ3 4.19Å; K22-W129 PolarHBondContact NZ-O 3.41Å; T83-W129 HydrophobicContact CG2-CH2 3.99Å; T83-W129 HydrophobicContact CG2-CZ3 4.49Å; Y85-W129 AromaticContact CD2-CD2 3.68Å; Y85-W129 HydrophobicContact CD2-CD2 3.68Å; Y85-W129 AromaticContact CD2-CE3 3.4Å; Y85-W129 HydrophobicContact CD2-CE3 3.4Å; Y85-W129 VanDerWaalsContact CD2-CE3 3.4Å; Y85-W129 HydrophobicContact CD2-CG 4.4Å; Y85-W129 AromaticContact CD2-CH2 3.95Å; Y85-W129 HydrophobicContact CD2-CH2 3.95Å; Y85-W129 HydrophobicContact CD2-CZ2 4.19Å; Y85-W129 AromaticContact CD2-CZ3 3.54Å; Y85-W129 HydrophobicContact CD2-CZ3 3.54Å; Y85-W129 HydrophobicContact CE1-CG 4.48Å; Y85-W129 AromaticContact CE2-CD2 3.44Å; Y85-W129 HydrophobicContact CE2-CD2 3.44Å; Y85-W129 VanDerWaalsContact CE2-CD2 3.44Å; Y85-W129 AromaticContact CE2-CE2 3.52Å; Y85-W129 AromaticContact CE2-CE3 3.72Å; Y85-W129 HydrophobicContact CE2-CE3 3.72Å; Y85-W129 AromaticContact CE2-CG 3.89Å; Y85-W129 HydrophobicContact CE2-CG 3.89Å; Y85-W129 HydrophobicContact CE2-CH2 4.15Å; Y85-W129 AromaticContact CE2-CZ2 3.9Å; Y85-W129 HydrophobicContact CE2-CZ2 3.9Å; Y85-W129 HydrophobicContact CE2-CZ3 4.05Å; Y85-W129 AromaticContact CE2-NE1 3.92Å; Y85-W129 HydrophobicContact CG-CD2 4.4Å; Y85-W129 AromaticContact CG-CE3 3.98Å; Y85-W129 HydrophobicContact CG-CE3 3.98Å; Y85-W129 HydrophobicContact CG-CZ3 4.34Å; Y85-W129 AromaticContact CZ-CG 3.94Å; N127-W129 PolarHBondContact O-N 3.4Å; N127-W129 VanDerWaalsContact O-N 3.11Å; W129-F131 VanDerWaalsContact C-N 3.35Å; W129-F131 PolarHBondContact O-N 3.22Å; W129-Q132 PolarHBondContact O-N 3.2Å
130F97.5Very high95.1Very high2 Ų297.2 Ų97.21%0.00944%0.442CS..Hα-helixtrans-63.8-40.4179.8-179.3-109.7000112.1V10 K22 V24 I46 Y49 V87 F118 N127 K128V10-F130 HydrophobicContact CG1-CD2 3.72Å; V10-F130 HydrophobicContact CG1-CE2 4.13Å; V10-F130 HydrophobicContact CG2-CD2 4.09Å; K22-F130 HydrophobicContact CB-CD2 3.89Å; K22-F130 HydrophobicContact CB-CE2 3.87Å; K22-F130 WeakPolarHBondContact CD-O 3.46Å; V24-F130 HydrophobicContact CG2-CD2 4.43Å; V24-F130 HydrophobicContact CG2-CE1 4.34Å; V24-F130 HydrophobicContact CG2-CE2 3.68Å; V24-F130 HydrophobicContact CG2-CZ 3.63Å; I46-F130 HydrophobicContact CD1-CD1 3.85Å; I46-F130 HydrophobicContact CD1-CE1 3.48Å; I46-F130 VanDerWaalsContact CD1-CE1 3.48Å; I46-F130 HydrophobicContact CD1-CZ 3.92Å; I46-F130 HydrophobicContact CG1-CE1 4.03Å; I46-F130 HydrophobicContact CG1-CZ 4.11Å; Y49-F130 WeakPolarHBondContact CE1-O 2.91Å; V87-F130 HydrophobicContact CG2-CB 4.01Å; V87-F130 HydrophobicContact CG2-CD2 4.36Å; V87-F130 HydrophobicContact CG2-CG 4.05Å; F118-F130 HydrophobicContact CD1-CE1 4.38Å; F118-F130 HydrophobicContact CE1-CE1 4.18Å; F118-F130 HydrophobicContact CE1-CZ 4.36Å; F118-F130 HydrophobicContact CZ-CE1 4.34Å; F118-F130 HydrophobicContact CZ-CZ 4.17Å; N127-F130 HydrophobicContact CB-CB 4.25Å; N127-F130 WeakPolarHBondContact O-CB 3.5Å; N127-F130 PolarHBondContact O-N 2.84Å; K128-F130 VanDerWaalsContact C-N 3.34Å; K128-F130 PolarHBondContact O-N 2.97Å
131F97.3Very high95.1Very high8 Ų897.4 Ų97.44%0.03544%0.442CS..Hα-helixtrans-84.2-9.2-179.1-63.3-68.8000114.2I46 Y49 P50 I68 I89 F118 R121 Y122 N127 K128 W129I46-F131 HydrophobicContact CD1-CD1 3.66Å; I46-F131 HydrophobicContact CD1-CE1 4.03Å; Y49-F131 WeakPolarHBondContact CD1-O 3.44Å; P50-F131 HydrophobicContact CG-CB 4.18Å; I68-F131 HydrophobicContact CD1-CD1 3.75Å; I68-F131 HydrophobicContact CD1-CE1 3.78Å; I89-F131 HydrophobicContact CD1-CZ 4.47Å; F118-F131 HydrophobicContact CB-CE1 4.17Å; F118-F131 WeakPolarHBondContact O-CE1 3.32Å; F118-F131 WeakPolarHBondContact O-CZ 3.41Å; R121-F131 HydrophobicContact CB-CE2 4.36Å; R121-F131 HydrophobicContact CB-CZ 3.97Å; R121-F131 HydrophobicContact CG-CE2 4Å; R121-F131 HydrophobicContact CG-CZ 4.04Å; Y122-F131 HydrophobicContact CD2-CB 3.72Å; Y122-F131 HydrophobicContact CD2-CD1 4.15Å; Y122-F131 AromaticContact CD2-CD2 3.99Å; Y122-F131 HydrophobicContact CD2-CD2 3.99Å; Y122-F131 AromaticContact CD2-CG 3.68Å; Y122-F131 HydrophobicContact CD2-CG 3.68Å; Y122-F131 HydrophobicContact CE2-CB 4.14Å; Y122-F131 HydrophobicContact CG-CD1 4.43Å; Y122-F131 HydrophobicContact CG-CG 4.36Å; N127-F131 HydrophobicContact CB-CD2 4.48Å; N127-F131 HydrophobicContact CB-CE2 4.21Å; N127-F131 WeakPolarHBondContact O-CD2 3.48Å; N127-F131 PolarHBondContact O-N 2.85Å; K128-F131 PolarHBondContact O-N 2.95Å; W129-F131 VanDerWaalsContact C-N 3.35Å; W129-F131 PolarHBondContact O-N 3.22Å
132Q96.9Very high95Very high125 Ų12599.8 Ų99.858%0.58446%0.456SS*.SBendtrans-86.4129.4174.5-173170.9-7.200110.8K22 K128 W129 L134K22-Q132 PolarHBondContact NZ-O 3.37Å; K128-Q132 WeakPolarHBondContact O-CB 3.42Å; K128-Q132 PolarHBondContact O-N 3.06Å; W129-Q132 PolarHBondContact O-N 3.2Å; Q132-L134 PolarHBondContact O-N 2.79Å
133K96.9Very high95Very high131 Ų131102.9 Ų102.957%0.5747%0.473SS*.PPolyproline II helixtrans-61.5131.6174.9-172.9-174.6173.3-168.60109.9Y49Y49-K133 HydrophobicContact CD2-CB 3.7Å; Y49-K133 HydrophobicContact CD2-CD 4.47Å; Y49-K133 HydrophobicContact CD2-CG 3.74Å; Y49-K133 HydrophobicContact CE2-CB 4.14Å; Y49-K133 HydrophobicContact CE2-CG 3.96Å; Y49-K133 HydrophobicContact CG-CB 3.95Å; Y49-K133 HydrophobicContact CG-CG 4.49Å
134L95.9Very high95.1Very high48 Ų4898.3 Ų98.325%0.25146%0.455SS..PPolyproline II helixtrans-68.4134.6168.4-170.872.1000109.4M12 Q132 F136M12-L134 HydrophobicContact CE-CD2 3.78Å; M12-L134 HydrophobicContact SD-CD1 4.43Å; M12-L134 HydrophobicContact SD-CD2 3.65Å; Q132-L134 PolarHBondContact O-N 2.79Å; L134-F136 HydrophobicContact CB-CD1 4.35Å; L134-F136 HydrophobicContact CD2-CD1 3.87Å; L134-F136 HydrophobicContact CD2-CE1 4.34Å; L134-F136 HydrophobicContact CG-CD1 4.05Å
135R95.5Very high95.3Very high237 Ų23799.8 Ų99.889%0.89445%0.452SS*.PPolyproline II helixtrans-102.4121.9174.7-64.2-172.2178.4-162.70.4108
136F91.5Very high95.5Very high203 Ų203104.9 Ų104.989%0.8945%0.452SS*.  trans-152.80174.462.4-88.3000106.5L134L134-F136 HydrophobicContact CB-CD1 4.35Å; L134-F136 HydrophobicContact CD2-CD1 3.87Å; L134-F136 HydrophobicContact CD2-CE1 4.34Å; L134-F136 HydrophobicContact CG-CD1 4.05Å

Retrieved 136 of 136 residues in 630.2 ms (Link to these results)

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