A0A2K5NKX6_CERAT Loading...

(3R)-3-hydroxyacyl-CoA dehydrogenase

AlphaFold DB , UniProt , Accession A0A2K5NKX6, Species CERAT (Cercocebus atys, Sooty mangabey), Gene HSD17B8, Length 261 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
1M42.5Very low67.5Low227 Ų227113.3 Ų113.3100%1.11860%0.599SS**  0-11.90-72.9-174.3-170.200114.1S3M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 3.19Å
2A40.5Very low69.8Low102 Ų102104.7 Ų104.784%0.84356%0.556SS**THydrogen-bonded Turntrans-74.6-6-179.200000116.2
3S46.5Very low72Confident101 Ų10196.7 Ų96.771%0.70651%0.513SS*.THydrogen-bonded Turntrans-89.2-3.3-174.265.70000115M1M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 3.19Å
4Q52.8Low73.9Confident174 Ų17489.8 Ų89.881%0.81348%0.477SS*.SBendtrans-91-13-167.8-126176.2-0.200115.1
5L61.1Low75.5Confident95 Ų9583.8 Ų83.850%0.49745%0.445SS..SBendtrans-109.1-4.7-178.3-73.5165.6000114.4
6Q64.4Low77Confident117 Ų11778.6 Ų78.655%0.54742%0.417SS..THydrogen-bonded Turntrans-72.5134.8178.8-136.2169.915.200109.8
7N79.5Confident78.3Confident82 Ų8274.1 Ų74.144%0.43939%0.393SS..THydrogen-bonded Turntrans83.29.4176.9-49.3-66.7000118.3L9 R10 E34N7-L9 PolarHBondContact O-N 2.99Å; N7-L9 VanDerWaalsContact O-N 3.09Å; N7-R10 HydrophobicContact CB-CB 4.19Å; N7-R10 PolarHBondContact O-N 3.31Å; N7-E34 CarbonylContact C-O 3.44Å; N7-E34 WeakPolarHBondContact CA-O 3.27Å; N7-E34 PolarHBondContact N-O 3.44Å
8R89.7Confident79.4Confident67 Ų6770.8 Ų70.825%0.25338%0.381SS..THydrogen-bonded Turntrans-54.7-26.5171.7-82.9166.430147.4-6.8113.6E34 A238 S242 D244R8-E34 WeakPolarHBondContact CB-OE2 3.4Å; R8-E34 IonicContact CZ-OE1 2.66Å; R8-E34 IonicContact CZ-OE2 3.55Å; R8-E34 PolarHBondContact N-O 2.88Å; R8-E34 IonicContact NE-OE1 3.97Å; R8-E34 IonicContact NE-OE2 2.74Å; R8-E34 PolarHBondContact NE-OE2 3.23Å; R8-E34 IonicContact NH2-OE1 3.37Å; R8-E34 IonicContact NH2-OE2 2.66Å; R8-E34 PolarHBondContact NH2-OE2 3.23Å; R8-A238 VanDerWaalsContact NH2-C 3.26Å; R8-A238 PolarHBondContact NH2-O 2.98Å; R8-S242 PolarHBondContact NH2-OG 3.12Å; R8-D244 IonicContact CZ-OD2 3.9Å; R8-D244 IonicContact NE-OD2 3.23Å; R8-D244 IonicContact NH1-OD2 2.85Å; R8-D244 PolarHBondContact NH1-OD2 3.39Å; R8-D244 IonicContact NH2-OD2 3.98Å
9L91.9Very high80.4Confident8 Ų867.1 Ų67.14%0.04236%0.36CS..THydrogen-bonded Turntrans-119.521-175.3-58.7179.6000113.3N7 S11 A12 L31 E34 G35 A36 A241N7-L9 PolarHBondContact O-N 2.99Å; N7-L9 VanDerWaalsContact O-N 3.09Å; L9-S11 PolarHBondContact O-N 3.29Å; L9-A12 HydrophobicContact CB-CB 4.03Å; L9-A12 HydrophobicContact CD2-CB 4.44Å; L9-A12 WeakPolarHBondContact O-CB 3.28Å; L9-A12 PolarHBondContact O-N 3.18Å; L9-L31 HydrophobicContact CD1-CD2 3.45Å; L9-L31 VanDerWaalsContact CD1-CD2 3.45Å; L9-E34 HydrophobicContact CB-CB 4.15Å; L9-E34 HydrophobicContact CD1-CB 4Å; L9-E34 HydrophobicContact CG-CB 4.06Å; L9-E34 PolarHBondContact N-O 3.44Å; L9-G35 CarbonylContact O-C 3.56Å; L9-A36 HydrophobicContact CB-CB 3.87Å; L9-A36 HydrophobicContact CD1-CB 4.38Å; L9-A36 VanDerWaalsContact O-CA 3.31Å; L9-A36 WeakPolarHBondContact O-CA 3.37Å; L9-A36 PolarHBondContact O-N 3.08Å; L9-A241 HydrophobicContact CD1-CB 4.18Å; L9-A241 HydrophobicContact CD2-CB 4.33Å
10R86Confident81.3Confident181 Ų18163.9 Ų63.968%0.68334%0.344SS*.THydrogen-bonded Turntrans-53.8-26.8-172-169.3172.6-177.6-97.70.1115.5N7 G35N7-R10 HydrophobicContact CB-CB 4.19Å; N7-R10 PolarHBondContact O-N 3.31Å; R10-G35 WeakPolarHBondContact CA-O 3.42Å
11S87.6Confident82.1Confident92 Ų9263.6 Ų63.664%0.64335%0.346SS*.THydrogen-bonded Turntrans-108.52.2178.5-62.20000113.5L9 R95L9-S11 PolarHBondContact O-N 3.29Å; S11-R95 PolarHBondContact O-NH1 3.37Å
12A95.3Very high84.7Confident10 Ų1053.7 Ų53.78%0.08330%0.303CS..  trans-77.3145.2179.800000111.6L9 A36 T37 R95 S98 V99L9-A12 HydrophobicContact CB-CB 4.03Å; L9-A12 HydrophobicContact CD2-CB 4.44Å; L9-A12 WeakPolarHBondContact O-CB 3.28Å; L9-A12 PolarHBondContact O-N 3.18Å; A12-A36 HydrophobicContact CB-CB 4.22Å; A12-T37 PolarHBondContact O-N 3.38Å; A12-R95 PolarHBondContact O-NH2 3.28Å; A12-S98 WeakPolarHBondContact CA-OG 3.37Å; A12-V99 HydrophobicContact CB-CG2 4.28Å
13L98Very high87.5Confident1 Ų150.2 Ų50.21%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-108.7120161.1173.863.7000107.4T37 V89 F93 R95 P97 S98 V99L13-T37 WeakPolarHBondContact CA-O 3.45Å; L13-T37 HydrophobicContact CD1-CG2 3.86Å; L13-V89 HydrophobicContact CD2-CG1 4.03Å; L13-F93 HydrophobicContact CD1-CB 4.4Å; L13-F93 HydrophobicContact CD1-CD1 4.17Å; L13-F93 HydrophobicContact CD1-CD2 3.73Å; L13-F93 HydrophobicContact CD1-CE1 4.43Å; L13-F93 HydrophobicContact CD1-CE2 4Å; L13-F93 HydrophobicContact CD1-CG 3.81Å; L13-F93 HydrophobicContact CD1-CZ 4.32Å; L13-F93 HydrophobicContact CD2-CB 3.59Å; L13-F93 HydrophobicContact CD2-CD2 3.88Å; L13-F93 HydrophobicContact CD2-CG 3.84Å; L13-F93 HydrophobicContact CG-CD2 4.46Å; L13-R95 HydrophobicContact CD2-CG 3.87Å; L13-R95 WeakPolarHBondContact CD2-O 3.4Å; L13-P97 HydrophobicContact CD2-CB 4.32Å; L13-P97 HydrophobicContact CG-CB 4.09Å; L13-P97 CarbonylContact O-C 3.54Å; L13-P97 VanDerWaalsContact O-CA 3.27Å; L13-P97 WeakPolarHBondContact O-CA 3.19Å; L13-S98 PolarHBondContact N-OG 3.07Å; L13-S98 PolarHBondContact O-N 3.29Å; L13-V99 PolarHBondContact O-N 2.99Å
14A98.6Very high89.9Confident0 Ų045.5 Ų45.50%024%0.237CC..EExtended strand (participates in β ladder)trans-106.9121.2-17900000110.9L31 A36 T37 V38 A39 V99A14-L31 HydrophobicContact CB-CD1 3.74Å; A14-A36 HydrophobicContact CB-CB 4.45Å; A14-T37 PolarHBondContact N-O 3.03Å; A14-V38 HydrophobicContact CB-CG2 4.48Å; A14-V38 CarbonylContact O-C 3.55Å; A14-V38 WeakPolarHBondContact O-CA 3.4Å; A14-A39 PolarHBondContact O-N 2.93Å; A14-V99 CarbonylContact C-O 3.58Å; A14-V99 VanDerWaalsContact CA-O 3.25Å; A14-V99 WeakPolarHBondContact CA-O 3.4Å; A14-V99 HydrophobicContact CB-CB 4.05Å; A14-V99 HydrophobicContact CB-CG1 4.24Å
15L98.9Very high92.1Very high0 Ų040 Ų400%021%0.209CC..EExtended strand (participates in β ladder)trans-94.8121.6165.5171.760000108.9A39 C41 L85 L86 V89 P97 V99 V100 V101L15-A39 WeakPolarHBondContact CA-O 3.21Å; L15-A39 HydrophobicContact CD1-CB 4.1Å; L15-A39 WeakPolarHBondContact CD1-O 3.19Å; L15-C41 HydrophobicContact CD1-CB 3.95Å; L15-L85 HydrophobicContact CD1-CD1 4.28Å; L15-L85 HydrophobicContact CD1-CD2 4.29Å; L15-L85 HydrophobicContact CD1-CG 4.4Å; L15-L85 HydrophobicContact CD2-CD2 4.18Å; L15-L85 HydrophobicContact CD2-CG 4.33Å; L15-L86 HydrophobicContact CD2-CD1 3.91Å; L15-L86 HydrophobicContact CD2-CD2 3.76Å; L15-V89 HydrophobicContact CD1-CG2 4.11Å; L15-P97 HydrophobicContact CB-CB 3.85Å; L15-P97 HydrophobicContact CB-CG 4Å; L15-P97 HydrophobicContact CD2-CG 4.42Å; L15-V99 PolarHBondContact N-O 2.95Å; L15-V100 HydrophobicContact CB-CG2 4.28Å; L15-V100 HydrophobicContact CD2-CG1 4.47Å; L15-V100 CarbonylContact O-C 3.41Å; L15-V100 WeakPolarHBondContact O-CA 3.42Å; L15-V101 PolarHBondContact O-N 3.23Å
16V98.9Very high93.9Very high0 Ų036.1 Ų36.10%019%0.19CC..EExtended strand (participates in β ladder)trans-118.9117.5177.4-174.60000108.3A19 V27 L31 V38 A39 C41 V101V16-A19 HydrophobicContact CB-CB 4.12Å; V16-A19 HydrophobicContact CG1-CB 4Å; V16-A19 WeakPolarHBondContact O-CB 3.28Å; V16-V27 HydrophobicContact CG1-CB 4.44Å; V16-V27 HydrophobicContact CG1-CG1 4.09Å; V16-V27 HydrophobicContact CG2-CG1 3.94Å; V16-L31 HydrophobicContact CG2-CD1 4.12Å; V16-V38 HydrophobicContact CG2-CG1 4.27Å; V16-A39 PolarHBondContact N-O 3.1Å; V16-C41 WeakPolarHBondContact O-CA 3.5Å; V16-C41 PolarHBondContact O-N 2.84Å; V16-V101 HydrophobicContact CG1-CB 4.38Å; V16-V101 HydrophobicContact CG2-CB 4.35Å; V16-V101 HydrophobicContact CG2-CG2 4.35Å
17T98.9Very high95.5Very high2 Ų230.5 Ų30.51%0.01216%0.164CC..EExtended strand (participates in β ladder)trans-92.7146.817463.30000110.5C41 V76 L85 V101 S102 C103 A104 V134T17-C41 CarbonylContact C-O 3.45Å; T17-C41 WeakPolarHBondContact CA-O 3.43Å; T17-C41 HydrophobicContact CG2-CB 4.25Å; T17-V76 HydrophobicContact CG2-CG1 4.09Å; T17-L85 HydrophobicContact CG2-CD2 4.15Å; T17-V101 PolarHBondContact N-O 3.44Å; T17-V101 PolarHBondContact OG1-O 3.3Å; T17-S102 WeakPolarHBondContact OG1-CA 3.39Å; T17-C103 CarbonylContact O-C 3.56Å; T17-C103 WeakPolarHBondContact O-CA 3.44Å; T17-C103 WeakPolarHBondContact O-CB 3.49Å; T17-C103 PolarHBondContact O-N 2.97Å; T17-C103 VanDerWaalsContact O-N 3.12Å; T17-A104 PolarHBondContact O-N 3.36Å; T17-A104 VanDerWaalsContact O-N 3.11Å; T17-V134 HydrophobicContact CG2-CG1 4.21Å; T17-V134 HydrophobicContact CG2-CG2 4.25Å
18G98.5Very high96.4Very high16 Ų1626.6 Ų26.617%0.16514%0.143CC..THydrogen-bonded Turntrans69.526.5-170.300000112.1G20 G24 C41 D42G18-G20 PolarHBondContact O-N 2.89Å; G18-G24 WeakPolarHBondContact O-CA 3.32Å; G18-C41 PolarHBondContact N-O 3.3Å; G18-D42 VanDerWaalsContact CA-OD2 3.22Å; G18-D42 WeakPolarHBondContact CA-OD2 3.43Å
19A98.6Very high96.7Very high0 Ų026.7 Ų26.70%015%0.151CC..THydrogen-bonded Turntrans-73.1-12.6-173.500000113.7V16 S21 R25 A40 C41 D42 T51V16-A19 HydrophobicContact CB-CB 4.12Å; V16-A19 HydrophobicContact CG1-CB 4Å; V16-A19 WeakPolarHBondContact O-CB 3.28Å; A19-S21 VanDerWaalsContact C-N 3.25Å; A19-S21 PolarHBondContact O-N 2.87Å; A19-R25 VanDerWaalsContact O-CA 3.24Å; A19-R25 WeakPolarHBondContact O-CA 3.31Å; A19-R25 WeakPolarHBondContact O-CB 3.33Å; A19-R25 PolarHBondContact O-N 3.07Å; A19-A40 HydrophobicContact CB-CB 3.75Å; A19-C41 PolarHBondContact N-O 3.11Å; A19-D42 PolarHBondContact N-OD2 3.34Å; A19-T51 PolarHBondContact O-OG1 2.93Å
20G97.9Very high97Very high2 Ų229.1 Ų29.12%0.02116%0.16CC..THydrogen-bonded Turntrans-69.5-18.1-174.700000113.9G18 R25 D42G18-G20 PolarHBondContact O-N 2.89Å; G20-R25 VanDerWaalsContact O-CZ 3.25Å; G20-R25 PolarHBondContact O-NE 3.4Å; G20-R25 VanDerWaalsContact O-NE 3.09Å; G20-R25 PolarHBondContact O-NH2 3.42Å; G20-D42 VanDerWaalsContact CA-OD2 3.3Å; G20-D42 WeakPolarHBondContact CA-OD2 3.37Å; G20-D42 PolarHBondContact N-OD2 2.76Å
21S97.8Very high97.5Very high58 Ų5820.5 Ų20.541%0.40613%0.127SC..SBendtrans-155.3169.4-175.9-171.20000113A19 I23 G24 R25 P205A19-S21 VanDerWaalsContact C-N 3.25Å; A19-S21 PolarHBondContact O-N 2.87Å; S21-I23 PolarHBondContact O-N 3.14Å; S21-G24 PolarHBondContact O-N 2.88Å; S21-R25 PolarHBondContact O-N 3.1Å; S21-R25 VanDerWaalsContact O-N 3.11Å; S21-P205 WeakPolarHBondContact OG-CG 3.31Å
22G97.5Very high97.8Very high19 Ų1917.1 Ų17.120%0.19611%0.105CC..Hα-helixtrans47.9-130.8170.900000114.2G24 R25 A26G22-G24 VanDerWaalsContact C-N 3.33Å; G22-G24 PolarHBondContact O-N 3.41Å; G22-R25 PolarHBondContact O-N 2.88Å; G22-A26 PolarHBondContact O-N 3.05Å
23I98.6Very high97.6Very high30 Ų3019 Ų1915%0.15413%0.125CC..Hα-helixtrans-58.6-42.1-178.4-64.1168.7000111.6S21 R25 A26 V27 P199 I202 T204 V233S21-I23 PolarHBondContact O-N 3.14Å; I23-R25 VanDerWaalsContact C-N 3.32Å; I23-R25 PolarHBondContact O-N 3.23Å; I23-A26 PolarHBondContact O-N 3.26Å; I23-V27 HydrophobicContact CG2-CG2 4.06Å; I23-V27 WeakPolarHBondContact O-CB 3.48Å; I23-V27 WeakPolarHBondContact O-CG2 3.43Å; I23-V27 PolarHBondContact O-N 3.18Å; I23-P199 HydrophobicContact CD1-CG 4.19Å; I23-I202 HydrophobicContact CD1-CB 4.47Å; I23-I202 HydrophobicContact CD1-CG1 4.31Å; I23-I202 HydrophobicContact CD1-CG2 4.48Å; I23-I202 HydrophobicContact CG1-CG2 4.3Å; I23-T204 HydrophobicContact CG1-CG2 4.19Å; I23-V233 HydrophobicContact CD1-CG1 4.4Å; I23-V233 HydrophobicContact CD1-CG2 4.18Å; I23-V233 HydrophobicContact CG1-CB 4.45Å; I23-V233 HydrophobicContact CG1-CG2 4.42Å; I23-V233 HydrophobicContact CG2-CB 4.06Å; I23-V233 HydrophobicContact CG2-CG1 3.65Å
24G98.6Very high97.3Very high2 Ų219.1 Ų19.12%0.02113%0.125CC..Hα-helixtrans-64.4-36.9-179.400000113G18 S21 G22 S28G18-G24 WeakPolarHBondContact O-CA 3.32Å; S21-G24 PolarHBondContact O-N 2.88Å; G22-G24 VanDerWaalsContact C-N 3.33Å; G22-G24 PolarHBondContact O-N 3.41Å; G24-S28 WeakPolarHBondContact O-CB 3.47Å; G24-S28 PolarHBondContact O-N 2.96Å; G24-S28 PolarHBondContact O-OG 2.9Å
25R98.4Very high97Very high58 Ų5820.4 Ų20.422%0.21914%0.138CC..Hα-helixtrans-65.7-48173.1-174.9179.1-70.4-157.9-2.5110.9A19 G20 S21 G22 I23 V27 S28 V29 E50 T51A19-R25 VanDerWaalsContact O-CA 3.24Å; A19-R25 WeakPolarHBondContact O-CA 3.31Å; A19-R25 WeakPolarHBondContact O-CB 3.33Å; A19-R25 PolarHBondContact O-N 3.07Å; G20-R25 VanDerWaalsContact O-CZ 3.25Å; G20-R25 PolarHBondContact O-NE 3.4Å; G20-R25 VanDerWaalsContact O-NE 3.09Å; G20-R25 PolarHBondContact O-NH2 3.42Å; S21-R25 PolarHBondContact O-N 3.1Å; S21-R25 VanDerWaalsContact O-N 3.11Å; G22-R25 PolarHBondContact O-N 2.88Å; I23-R25 VanDerWaalsContact C-N 3.32Å; I23-R25 PolarHBondContact O-N 3.23Å; R25-V27 PolarHBondContact O-N 2.86Å; R25-S28 WeakPolarHBondContact O-CB 3.46Å; R25-S28 PolarHBondContact O-N 3.03Å; R25-S28 VanDerWaalsContact O-N 3.15Å; R25-V29 WeakPolarHBondContact O-CG2 3.46Å; R25-V29 PolarHBondContact O-N 2.98Å; R25-E50 IonicContact CZ-OE1 3.2Å; R25-E50 IonicContact CZ-OE2 3.64Å; R25-E50 IonicContact NH1-OE1 2.84Å; R25-E50 PolarHBondContact NH1-OE1 3.08Å; R25-E50 IonicContact NH1-OE2 3.46Å; R25-E50 IonicContact NH2-OE1 2.82Å; R25-E50 PolarHBondContact NH2-OE1 3.35Å; R25-E50 IonicContact NH2-OE2 3.58Å; R25-E50 PolarHBondContact NH2-OE2 3.32Å; R25-T51 HydrophobicContact CG-CG2 4.04Å; R25-T51 PolarHBondContact NE-OG1 2.66Å
26A98.4Very high96.7Very high13 Ų1320.4 Ų20.411%0.10714%0.139CC..Hα-helixtrans-60.9-43.5178.600000112.4G22 I23 S28 V29 R30 P230 A234G22-A26 PolarHBondContact O-N 3.05Å; I23-A26 PolarHBondContact O-N 3.26Å; A26-S28 VanDerWaalsContact C-N 3.34Å; A26-S28 PolarHBondContact O-N 3.16Å; A26-V29 PolarHBondContact O-N 3.45Å; A26-R30 WeakPolarHBondContact O-CB 3.16Å; A26-R30 PolarHBondContact O-N 3.46Å; A26-P230 HydrophobicContact CB-CB 3.53Å; A26-A234 HydrophobicContact CB-CB 4.13Å
27V98.8Very high96.6Very high0 Ų021.4 Ų21.40%014%0.144CC..Hα-helixtrans-57.1-47.4172.3167.60000110.8V16 I23 R25 V29 R30 L31 V101 A234 V237V16-V27 HydrophobicContact CG1-CB 4.44Å; V16-V27 HydrophobicContact CG1-CG1 4.09Å; V16-V27 HydrophobicContact CG2-CG1 3.94Å; I23-V27 HydrophobicContact CG2-CG2 4.06Å; I23-V27 WeakPolarHBondContact O-CB 3.48Å; I23-V27 WeakPolarHBondContact O-CG2 3.43Å; I23-V27 PolarHBondContact O-N 3.18Å; R25-V27 PolarHBondContact O-N 2.86Å; V27-V29 VanDerWaalsContact C-N 3.34Å; V27-V29 PolarHBondContact O-N 2.88Å; V27-R30 PolarHBondContact O-N 3.45Å; V27-L31 HydrophobicContact CG1-CD1 3.67Å; V27-L31 HydrophobicContact CG1-CG 4.1Å; V27-L31 WeakPolarHBondContact O-CB 3.27Å; V27-L31 VanDerWaalsContact O-CG 3.26Å; V27-L31 WeakPolarHBondContact O-CG 3.38Å; V27-L31 PolarHBondContact O-N 2.93Å; V27-V101 HydrophobicContact CG1-CB 4.38Å; V27-V101 HydrophobicContact CG1-CG1 4.26Å; V27-V101 HydrophobicContact CG1-CG2 4.15Å; V27-A234 HydrophobicContact CG2-CB 4.02Å; V27-V237 HydrophobicContact CG1-CG1 3.73Å; V27-V237 HydrophobicContact CG2-CB 4.07Å; V27-V237 HydrophobicContact CG2-CG1 4.1Å; V27-V237 HydrophobicContact CG2-CG2 3.97Å
28S98.3Very high96.6Very high0 Ų021.3 Ų21.30%014%0.144CC..Hα-helixtrans-60-44.1179.8-60.80000112G24 R25 A26 A32G24-S28 WeakPolarHBondContact O-CB 3.47Å; G24-S28 PolarHBondContact O-N 2.96Å; G24-S28 PolarHBondContact O-OG 2.9Å; R25-S28 WeakPolarHBondContact O-CB 3.46Å; R25-S28 PolarHBondContact O-N 3.03Å; R25-S28 VanDerWaalsContact O-N 3.15Å; A26-S28 VanDerWaalsContact C-N 3.34Å; A26-S28 PolarHBondContact O-N 3.16Å; S28-A32 VanDerWaalsContact O-CB 3.31Å; S28-A32 WeakPolarHBondContact O-CB 3.35Å; S28-A32 PolarHBondContact O-N 3.48Å; S28-A32 VanDerWaalsContact O-N 3.1Å
29V96.4Very high96.6Very high69 Ų6920.5 Ų20.542%0.41814%0.136SC..Hα-helixtrans-63.5-47.7176.2172.60000111.1R25 A26 V27 A32 G33 L55R25-V29 WeakPolarHBondContact O-CG2 3.46Å; R25-V29 PolarHBondContact O-N 2.98Å; A26-V29 PolarHBondContact O-N 3.45Å; V27-V29 VanDerWaalsContact C-N 3.34Å; V27-V29 PolarHBondContact O-N 2.88Å; V29-A32 PolarHBondContact O-N 3Å; V29-G33 PolarHBondContact O-N 3.14Å; V29-L55 HydrophobicContact CB-CD2 4.32Å; V29-L55 HydrophobicContact CG2-CD2 3.84Å
30R96.5Very high96.6Very high59 Ų5920.5 Ų20.522%0.22314%0.136CC..Hα-helixtrans-62.4-48.2-179.2173.957.9-172.7-109.7-3.4112.1A26 V27 A32 G33 E34 A234 D235 A238A26-R30 WeakPolarHBondContact O-CB 3.16Å; A26-R30 PolarHBondContact O-N 3.46Å; V27-R30 PolarHBondContact O-N 3.45Å; R30-A32 VanDerWaalsContact C-N 3.34Å; R30-A32 PolarHBondContact O-N 3.49Å; R30-G33 WeakPolarHBondContact O-CA 3.47Å; R30-G33 PolarHBondContact O-N 2.96Å; R30-G33 VanDerWaalsContact O-N 3.14Å; R30-E34 IonicContact CZ-OE1 2.58Å; R30-E34 VanDerWaalsContact CZ-OE1 3.23Å; R30-E34 IonicContact NE-OE1 3.35Å; R30-E34 PolarHBondContact NE-OE1 2.91Å; R30-E34 IonicContact NH2-OE1 2.61Å; R30-E34 PolarHBondContact NH2-OE1 2.95Å; R30-E34 PolarHBondContact O-N 2.9Å; R30-E34 VanDerWaalsContact O-N 3.09Å; R30-A234 HydrophobicContact CB-CB 3.85Å; R30-A234 HydrophobicContact CG-CB 4.22Å; R30-D235 IonicContact CZ-OD1 3.4Å; R30-D235 IonicContact CZ-OD2 2.87Å; R30-D235 IonicContact NH1-OD1 3.66Å; R30-D235 PolarHBondContact NH1-OD1 3.37Å; R30-D235 IonicContact NH1-OD2 3.61Å; R30-D235 PolarHBondContact NH1-OD2 2.61Å; R30-A238 HydrophobicContact CG-CB 3.73Å
31L96.3Very high96.6Very high0 Ų020.5 Ų20.50%014%0.135CC..Hα-helixtrans-64.2-39.5179.6-64.5178.9000111.6L9 A14 V16 V27 G33 E34 G35 A36 V38 V99 V101 A238 A241L9-L31 HydrophobicContact CD1-CD2 3.45Å; L9-L31 VanDerWaalsContact CD1-CD2 3.45Å; A14-L31 HydrophobicContact CB-CD1 3.74Å; V16-L31 HydrophobicContact CG2-CD1 4.12Å; V27-L31 HydrophobicContact CG1-CD1 3.67Å; V27-L31 HydrophobicContact CG1-CG 4.1Å; V27-L31 WeakPolarHBondContact O-CB 3.27Å; V27-L31 VanDerWaalsContact O-CG 3.26Å; V27-L31 WeakPolarHBondContact O-CG 3.38Å; V27-L31 PolarHBondContact O-N 2.93Å; L31-G33 VanDerWaalsContact C-N 3.33Å; L31-E34 PolarHBondContact O-N 3.05Å; L31-G35 PolarHBondContact O-N 3.44Å; L31-A36 HydrophobicContact CB-CB 4.17Å; L31-A36 VanDerWaalsContact O-CB 3.23Å; L31-A36 WeakPolarHBondContact O-CB 3.45Å; L31-A36 PolarHBondContact O-N 3.3Å; L31-V38 HydrophobicContact CB-CG2 4.31Å; L31-V99 HydrophobicContact CD1-CG1 4.37Å; L31-V101 HydrophobicContact CD1-CG2 4.28Å; L31-A238 HydrophobicContact CD2-CB 4.1Å; L31-A241 HydrophobicContact CD2-CB 4.05Å
32A94.6Very high96.7Very high21 Ų2119 Ų1917%0.17412%0.123CC..Hα-helixtrans-62.3-40.2172.600000111.9S28 V29 R30 E34 G35 V38 L55S28-A32 VanDerWaalsContact O-CB 3.31Å; S28-A32 WeakPolarHBondContact O-CB 3.35Å; S28-A32 PolarHBondContact O-N 3.48Å; S28-A32 VanDerWaalsContact O-N 3.1Å; V29-A32 PolarHBondContact O-N 3Å; R30-A32 VanDerWaalsContact C-N 3.34Å; R30-A32 PolarHBondContact O-N 3.49Å; A32-E34 PolarHBondContact O-N 3.43Å; A32-G35 PolarHBondContact O-N 3.43Å; A32-V38 HydrophobicContact CB-CG2 4.08Å; A32-L55 HydrophobicContact CB-CB 4.32Å; A32-L55 HydrophobicContact CB-CD1 4.38Å; A32-L55 HydrophobicContact CB-CD2 3.98Å; A32-L55 HydrophobicContact CB-CG 4.43Å
33G91.6Very high96.7Very high48 Ų4823.2 Ų23.250%0.49514%0.14SC..Hα-helixtrans-61.3-28174.100000114.1V29 R30 L31 G35V29-G33 PolarHBondContact O-N 3.14Å; R30-G33 WeakPolarHBondContact O-CA 3.47Å; R30-G33 PolarHBondContact O-N 2.96Å; R30-G33 VanDerWaalsContact O-N 3.14Å; L31-G33 VanDerWaalsContact C-N 3.33Å; G33-G35 VanDerWaalsContact C-N 3.29Å
34E91.9Very high96.7Very high5 Ų526 Ų262%0.02316%0.155CC..THydrogen-bonded Turntrans-86.64.8172.7-69-162.9-15900113.9N7 R8 L9 R30 L31 A32 A238N7-E34 CarbonylContact C-O 3.44Å; N7-E34 WeakPolarHBondContact CA-O 3.27Å; N7-E34 PolarHBondContact N-O 3.44Å; R8-E34 WeakPolarHBondContact CB-OE2 3.4Å; R8-E34 IonicContact CZ-OE1 2.66Å; R8-E34 IonicContact CZ-OE2 3.55Å; R8-E34 PolarHBondContact N-O 2.88Å; R8-E34 IonicContact NE-OE1 3.97Å; R8-E34 IonicContact NE-OE2 2.74Å; R8-E34 PolarHBondContact NE-OE2 3.23Å; R8-E34 IonicContact NH2-OE1 3.37Å; R8-E34 IonicContact NH2-OE2 2.66Å; R8-E34 PolarHBondContact NH2-OE2 3.23Å; L9-E34 HydrophobicContact CB-CB 4.15Å; L9-E34 HydrophobicContact CD1-CB 4Å; L9-E34 HydrophobicContact CG-CB 4.06Å; L9-E34 PolarHBondContact N-O 3.44Å; R30-E34 IonicContact CZ-OE1 2.58Å; R30-E34 VanDerWaalsContact CZ-OE1 3.23Å; R30-E34 IonicContact NE-OE1 3.35Å; R30-E34 PolarHBondContact NE-OE1 2.91Å; R30-E34 IonicContact NH2-OE1 2.61Å; R30-E34 PolarHBondContact NH2-OE1 2.95Å; R30-E34 PolarHBondContact O-N 2.9Å; R30-E34 VanDerWaalsContact O-N 3.09Å; L31-E34 PolarHBondContact O-N 3.05Å; A32-E34 PolarHBondContact O-N 3.43Å; E34-A238 WeakPolarHBondContact OE1-CB 3.49Å
35G90.9Very high96.6Very high26 Ų2626.4 Ų26.427%0.26816%0.16SC..THydrogen-bonded Turntrans92.75.7175.400000115.1L9 R10 L31 A32 G33L9-G35 CarbonylContact O-C 3.56Å; R10-G35 WeakPolarHBondContact CA-O 3.42Å; L31-G35 PolarHBondContact O-N 3.44Å; A32-G35 PolarHBondContact O-N 3.43Å; G33-G35 VanDerWaalsContact C-N 3.29Å
36A94.6Very high96.6Very high1 Ų126.7 Ų26.71%0.00818%0.175CC..  trans-69.7143.9176.200000111.4L9 A12 A14 L31 H69L9-A36 HydrophobicContact CB-CB 3.87Å; L9-A36 HydrophobicContact CD1-CB 4.38Å; L9-A36 VanDerWaalsContact O-CA 3.31Å; L9-A36 WeakPolarHBondContact O-CA 3.37Å; L9-A36 PolarHBondContact O-N 3.08Å; A12-A36 HydrophobicContact CB-CB 4.22Å; A14-A36 HydrophobicContact CB-CB 4.45Å; L31-A36 HydrophobicContact CB-CB 4.17Å; L31-A36 VanDerWaalsContact O-CB 3.23Å; L31-A36 WeakPolarHBondContact O-CB 3.45Å; L31-A36 PolarHBondContact O-N 3.3Å; A36-H69 PolarHBondContact O-CE1 2.86Å; A36-H69 VanDerWaalsContact O-CE1 3.32Å
37T96Very high96.6Very high20 Ų2026.7 Ų26.712%0.12318%0.175CC..EExtended strand (participates in β ladder)trans-76134.6160.6-57.40000108.5A12 L13 A14 N68 F93A12-T37 PolarHBondContact O-N 3.38Å; L13-T37 WeakPolarHBondContact CA-O 3.45Å; L13-T37 HydrophobicContact CD1-CG2 3.86Å; A14-T37 PolarHBondContact N-O 3.03Å; T37-N68 WeakPolarHBondContact CG2-O 3.42Å; T37-F93 HydrophobicContact CG2-CD1 4.09Å; T37-F93 HydrophobicContact CG2-CE1 3.66Å; T37-F93 HydrophobicContact CG2-CZ 4.2Å
38V97.8Very high96.5Very high0 Ų026.7 Ų26.70%018%0.175CC..EExtended strand (participates in β ladder)trans-118.4123-174.3-176.80000110.8A14 V16 L31 A32 L55 H69 A70A14-V38 HydrophobicContact CB-CG2 4.48Å; A14-V38 CarbonylContact O-C 3.55Å; A14-V38 WeakPolarHBondContact O-CA 3.4Å; V16-V38 HydrophobicContact CG2-CG1 4.27Å; L31-V38 HydrophobicContact CB-CG2 4.31Å; A32-V38 HydrophobicContact CB-CG2 4.08Å; V38-L55 HydrophobicContact CB-CD1 3.74Å; V38-L55 HydrophobicContact CG1-CD1 4.01Å; V38-L55 HydrophobicContact CG2-CD1 4.19Å; V38-H69 WeakPolarHBondContact CB-ND1 3.26Å; V38-H69 PolarHBondContact N-ND1 2.75Å; V38-H69 VanDerWaalsContact O-CA 3.25Å; V38-H69 WeakPolarHBondContact O-CA 3.48Å; V38-H69 WeakPolarHBondContact O-CB 3.47Å; V38-A70 PolarHBondContact O-N 3.3Å
39A98.5Very high96.4Very high0 Ų031.4 Ų31.40%020%0.197CC..EExtended strand (participates in β ladder)trans-92.797.3163.400000108.3A14 L15 V16 A70 F72 V89 F93A14-A39 PolarHBondContact O-N 2.93Å; L15-A39 WeakPolarHBondContact CA-O 3.21Å; L15-A39 HydrophobicContact CD1-CB 4.1Å; L15-A39 WeakPolarHBondContact CD1-O 3.19Å; V16-A39 PolarHBondContact N-O 3.1Å; A39-A70 CarbonylContact C-O 3.39Å; A39-A70 WeakPolarHBondContact CA-O 3.39Å; A39-F72 HydrophobicContact CB-CD2 4Å; A39-F72 HydrophobicContact CB-CE2 3.59Å; A39-V89 HydrophobicContact CB-CG1 4.26Å; A39-V89 HydrophobicContact CB-CG2 4.02Å; A39-F93 HydrophobicContact CB-CE2 3.88Å
40A98.6Very high96.4Very high0 Ų032.2 Ų32.20%020%0.196CC..EExtended strand (participates in β ladder)trans-84.2115.7179.400000109.5A19 V52 A70 A71 F72A19-A40 HydrophobicContact CB-CB 3.75Å; A40-V52 HydrophobicContact CB-CG2 3.8Å; A40-A70 PolarHBondContact N-O 2.98Å; A40-A71 CarbonylContact O-C 3.51Å; A40-A71 VanDerWaalsContact O-CA 3.3Å; A40-A71 WeakPolarHBondContact O-CA 3.03Å; A40-F72 PolarHBondContact O-N 2.82Å
41C98.8Very high96.4Very high1 Ų129.4 Ų29.41%0.00719%0.185CC..EExtended strand (participates in β ladder)trans-111135.5177.6179.50000110.4L15 V16 T17 G18 A19 F72 L85L15-C41 HydrophobicContact CD1-CB 3.95Å; V16-C41 WeakPolarHBondContact O-CA 3.5Å; V16-C41 PolarHBondContact O-N 2.84Å; T17-C41 CarbonylContact C-O 3.45Å; T17-C41 WeakPolarHBondContact CA-O 3.43Å; T17-C41 HydrophobicContact CG2-CB 4.25Å; G18-C41 PolarHBondContact N-O 3.3Å; A19-C41 PolarHBondContact N-O 3.11Å; C41-F72 WeakPolarHBondContact CA-O 3.15Å; C41-F72 HydrophobicContact CB-CB 4.29Å; C41-L85 HydrophobicContact CB-CD1 3.97Å; C41-L85 HydrophobicContact CB-CD2 4.15Å; C41-L85 VanDerWaalsContact SG-CD2 3.52Å
42D98.8Very high96.4Very high26 Ų2630.6 Ų30.614%0.13919%0.193CC..EExtended strand (participates in β ladder)trans-146.3164.1171.5-153.7-78000111.1G18 A19 G20 D44 A48 F72 Q73 A74G18-D42 VanDerWaalsContact CA-OD2 3.22Å; G18-D42 WeakPolarHBondContact CA-OD2 3.43Å; A19-D42 PolarHBondContact N-OD2 3.34Å; G20-D42 VanDerWaalsContact CA-OD2 3.3Å; G20-D42 WeakPolarHBondContact CA-OD2 3.37Å; G20-D42 PolarHBondContact N-OD2 2.76Å; D42-D44 VanDerWaalsContact C-N 3.3Å; D42-D44 PolarHBondContact OD1-N 2.85Å; D42-A48 HydrophobicContact CB-CB 3.89Å; D42-F72 PolarHBondContact N-O 3.38Å; D42-F72 VanDerWaalsContact N-O 3.12Å; D42-Q73 VanDerWaalsContact O-CA 3.3Å; D42-Q73 WeakPolarHBondContact O-CA 3.28Å; D42-A74 PolarHBondContact O-N 2.86Å
43L98.3Very high96.2Very high109 Ų10937.4 Ų37.457%0.57121%0.214SC*.SBendtrans-68.2-38169.3-178.766.1000110G45 Q73 D75L43-G45 PolarHBondContact O-N 3.46Å; L43-Q73 WeakPolarHBondContact O-CG 3.46Å; L43-Q73 PolarHBondContact O-NE2 2.79Å; L43-Q73 VanDerWaalsContact O-NE2 3.13Å; L43-D75 HydrophobicContact CD1-CB 3.79Å
44D98.3Very high96.2Very high87 Ų8739.5 Ų39.547%0.46521%0.213SC..SBendtrans-88.6100.7171.5-176.6-11000110.4D42 A46 A47 A48D42-D44 VanDerWaalsContact C-N 3.3Å; D42-D44 PolarHBondContact OD1-N 2.85Å; D44-A46 PolarHBondContact O-N 3.38Å; D44-A46 WeakPolarHBondContact OD1-CA 3.49Å; D44-A46 WeakPolarHBondContact OD1-CB 3.37Å; D44-A46 PolarHBondContact OD1-N 3.26Å; D44-A47 HydrophobicContact CB-CB 3.91Å; D44-A47 PolarHBondContact O-N 2.85Å; D44-A47 VanDerWaalsContact O-N 3.14Å; D44-A47 PolarHBondContact OD1-N 2.78Å; D44-A48 PolarHBondContact O-N 3.01Å; D44-A48 VanDerWaalsContact O-N 3.08Å
45G97.5Very high96Very high12 Ų1239.5 Ų39.512%0.12421%0.214CC..Hα-helixtrans-59.3-28.6178.800000113.9L43 Q49L43-G45 PolarHBondContact O-N 3.46Å; G45-Q49 VanDerWaalsContact O-CG 3.28Å; G45-Q49 WeakPolarHBondContact O-CG 3.3Å; G45-Q49 PolarHBondContact O-N 3.24Å; G45-Q49 VanDerWaalsContact O-N 3.08Å
46A97.9Very high94.8Very high63 Ų6340.6 Ų40.652%0.52122%0.224SC..Hα-helixtrans-72.3-40.9177.100000111.2D44 A48 Q49 E50D44-A46 PolarHBondContact O-N 3.38Å; D44-A46 WeakPolarHBondContact OD1-CA 3.49Å; D44-A46 WeakPolarHBondContact OD1-CB 3.37Å; D44-A46 PolarHBondContact OD1-N 3.26Å; A46-A48 VanDerWaalsContact C-N 3.35Å; A46-Q49 PolarHBondContact O-N 3.19Å; A46-E50 PolarHBondContact O-N 3.32Å
47A98.1Very high92.5Very high14 Ų1441.8 Ų41.812%0.11624%0.237CC..Hα-helixtrans-64.7-37.9175.300000112.2D44 E50 T51D44-A47 HydrophobicContact CB-CB 3.91Å; D44-A47 PolarHBondContact O-N 2.85Å; D44-A47 VanDerWaalsContact O-N 3.14Å; D44-A47 PolarHBondContact OD1-N 2.78Å; A47-E50 PolarHBondContact O-N 2.92Å; A47-T51 PolarHBondContact O-N 3.44Å; A47-T51 PolarHBondContact O-OG1 3.25Å; A47-T51 VanDerWaalsContact O-OG1 3.05Å
48A97.8Very high89.6Confident0 Ų048 Ų480%028%0.278CS..Hα-helixtrans-62.4-44.2172.400000111.8D42 D44 A46 T51 V52 A71D42-A48 HydrophobicContact CB-CB 3.89Å; D44-A48 PolarHBondContact O-N 3.01Å; D44-A48 VanDerWaalsContact O-N 3.08Å; A46-A48 VanDerWaalsContact C-N 3.35Å; A48-T51 WeakPolarHBondContact O-CB 3.38Å; A48-T51 PolarHBondContact O-N 3.36Å; A48-V52 PolarHBondContact O-N 3.25Å; A48-A71 HydrophobicContact CB-CB 4.04Å
49Q96.3Very high86.9Confident98 Ų9851 Ų5146%0.45831%0.309SS..Hα-helixtrans-64.1-41.2176.3-74.4175.316.900112.7G45 A46 T51 V52 R53 A71G45-Q49 VanDerWaalsContact O-CG 3.28Å; G45-Q49 WeakPolarHBondContact O-CG 3.3Å; G45-Q49 PolarHBondContact O-N 3.24Å; G45-Q49 VanDerWaalsContact O-N 3.08Å; A46-Q49 PolarHBondContact O-N 3.19Å; Q49-T51 VanDerWaalsContact C-N 3.29Å; Q49-T51 PolarHBondContact O-N 3.22Å; Q49-V52 PolarHBondContact O-N 2.84Å; Q49-R53 WeakPolarHBondContact O-CG 3.38Å; Q49-R53 PolarHBondContact O-N 2.77Å; Q49-A71 HydrophobicContact CB-CB 4.38Å; Q49-A71 HydrophobicContact CG-CB 3.76Å
50E95.9Very high84.1Confident86 Ų8655.5 Ų55.540%0.40233%0.333SS..Hα-helixtrans-57-47.3174.6-169.5-162157.200110.3R25 A46 A47 V52 R53 L54R25-E50 IonicContact CZ-OE1 3.2Å; R25-E50 IonicContact CZ-OE2 3.64Å; R25-E50 IonicContact NH1-OE1 2.84Å; R25-E50 PolarHBondContact NH1-OE1 3.08Å; R25-E50 IonicContact NH1-OE2 3.46Å; R25-E50 IonicContact NH2-OE1 2.82Å; R25-E50 PolarHBondContact NH2-OE1 3.35Å; R25-E50 IonicContact NH2-OE2 3.58Å; R25-E50 PolarHBondContact NH2-OE2 3.32Å; A46-E50 PolarHBondContact O-N 3.32Å; A47-E50 PolarHBondContact O-N 2.92Å; E50-V52 PolarHBondContact O-N 3.44Å; E50-R53 WeakPolarHBondContact O-CB 3.4Å; E50-R53 PolarHBondContact O-N 3.45Å; E50-R53 VanDerWaalsContact O-N 3.14Å; E50-L54 PolarHBondContact O-N 3.37Å
51T96.3Very high81.5Confident0 Ų065.7 Ų65.70%038%0.377CS..Hα-helixtrans-57.9-48.1176.9-60.30000111.2A19 R25 A47 A48 Q49 R53 L54 L55A19-T51 PolarHBondContact O-OG1 2.93Å; R25-T51 HydrophobicContact CG-CG2 4.04Å; R25-T51 PolarHBondContact NE-OG1 2.66Å; A47-T51 PolarHBondContact O-N 3.44Å; A47-T51 PolarHBondContact O-OG1 3.25Å; A47-T51 VanDerWaalsContact O-OG1 3.05Å; A48-T51 WeakPolarHBondContact O-CB 3.38Å; A48-T51 PolarHBondContact O-N 3.36Å; Q49-T51 VanDerWaalsContact C-N 3.29Å; Q49-T51 PolarHBondContact O-N 3.22Å; T51-R53 VanDerWaalsContact C-N 3.29Å; T51-R53 PolarHBondContact O-N 3.34Å; T51-L54 WeakPolarHBondContact O-CB 3.35Å; T51-L54 PolarHBondContact O-N 3.34Å; T51-L55 WeakPolarHBondContact O-CG 3.25Å; T51-L55 PolarHBondContact O-N 3.08Å
52V95.3Very high78.9Confident26 Ų2674.9 Ų74.916%0.15842%0.42CS..Hα-helixtrans-58.7-37.6177.1168.20000112.8A40 A48 Q49 E50 L54 L55 G56 H69 A71A40-V52 HydrophobicContact CB-CG2 3.8Å; A48-V52 PolarHBondContact O-N 3.25Å; Q49-V52 PolarHBondContact O-N 2.84Å; E50-V52 PolarHBondContact O-N 3.44Å; V52-L54 VanDerWaalsContact C-N 3.28Å; V52-L54 PolarHBondContact O-N 3.22Å; V52-L55 WeakPolarHBondContact O-CB 3.3Å; V52-L55 PolarHBondContact O-N 3.4Å; V52-L55 VanDerWaalsContact O-N 3.11Å; V52-G56 PolarHBondContact O-N 2.86Å; V52-G56 VanDerWaalsContact O-N 3.16Å; V52-H69 HydrophobicContact CG1-CB 4.02Å; V52-H69 HydrophobicContact CG2-CB 4.48Å; V52-A71 HydrophobicContact CB-CB 4.49Å; V52-A71 HydrophobicContact CG2-CB 3.86Å
53R91.9Very high76.4Confident163 Ų16375.1 Ų75.162%0.61543%0.429SS*.Hα-helixtrans-63.2-34174.9-67.9172.8-164.81546.8112Q49 E50 T51 L55 G56 G57Q49-R53 WeakPolarHBondContact O-CG 3.38Å; Q49-R53 PolarHBondContact O-N 2.77Å; E50-R53 WeakPolarHBondContact O-CB 3.4Å; E50-R53 PolarHBondContact O-N 3.45Å; E50-R53 VanDerWaalsContact O-N 3.14Å; T51-R53 VanDerWaalsContact C-N 3.29Å; T51-R53 PolarHBondContact O-N 3.34Å; R53-L55 VanDerWaalsContact C-N 3.3Å; R53-G56 PolarHBondContact O-N 3.3Å; R53-G57 VanDerWaalsContact O-CA 3.24Å; R53-G57 WeakPolarHBondContact O-CA 3.42Å; R53-G57 PolarHBondContact O-N 3.01Å
54L90Very high73.6Confident92 Ų9274 Ų7448%0.48243%0.428SS..Hα-helixtrans-67.8-32.7174.4-60172.5000111.8E50 T51 V52E50-L54 PolarHBondContact O-N 3.37Å; T51-L54 WeakPolarHBondContact O-CB 3.35Å; T51-L54 PolarHBondContact O-N 3.34Å; V52-L54 VanDerWaalsContact C-N 3.28Å; V52-L54 PolarHBondContact O-N 3.22Å
55L89.3Confident71.1Confident6 Ų676.1 Ų76.13%0.03145%0.447CS..Hα-helixtrans-70.3-34.7177.7-47.1-174.8000111.5V29 A32 V38 T51 V52 R53 R66 H69V29-L55 HydrophobicContact CB-CD2 4.32Å; V29-L55 HydrophobicContact CG2-CD2 3.84Å; A32-L55 HydrophobicContact CB-CB 4.32Å; A32-L55 HydrophobicContact CB-CD1 4.38Å; A32-L55 HydrophobicContact CB-CD2 3.98Å; A32-L55 HydrophobicContact CB-CG 4.43Å; V38-L55 HydrophobicContact CB-CD1 3.74Å; V38-L55 HydrophobicContact CG1-CD1 4.01Å; V38-L55 HydrophobicContact CG2-CD1 4.19Å; T51-L55 WeakPolarHBondContact O-CG 3.25Å; T51-L55 PolarHBondContact O-N 3.08Å; V52-L55 WeakPolarHBondContact O-CB 3.3Å; V52-L55 PolarHBondContact O-N 3.4Å; V52-L55 VanDerWaalsContact O-N 3.11Å; R53-L55 VanDerWaalsContact C-N 3.3Å; L55-R66 WeakPolarHBondContact O-CD 3.31Å; L55-R66 PolarHBondContact O-NH1 2.98Å; L55-H69 HydrophobicContact CB-CB 4.32Å; L55-H69 VanDerWaalsContact CB-CD2 3.5Å; L55-H69 WeakPolarHBondContact CB-CD2 3.2Å; L55-H69 HydrophobicContact CD1-CB 3.99Å
56G65.5Low69.1Low48 Ų4881 Ų8150%0.49546%0.461SS..Hα-helixtrans-117.98.1-172.400000118V52 R53V52-G56 PolarHBondContact O-N 2.86Å; V52-G56 VanDerWaalsContact O-N 3.16Å; R53-G56 PolarHBondContact O-N 3.3Å
57G45.3Very low67.3Low26 Ų2679.5 Ų79.527%0.26845%0.452SS..  trans-65.9156.4-166.900000117.1R53 G59R53-G57 VanDerWaalsContact O-CA 3.24Å; R53-G57 WeakPolarHBondContact O-CA 3.42Å; R53-G57 PolarHBondContact O-N 3.01Å; G57-G59 PolarHBondContact O-N 3.17Å
58P36.1Very low66.6Low151 Ų15185.5 Ų85.598%0.98148%0.482SS*.THydrogen-bonded Turntrans-7282.5-175.531.4-34.8000111.2
59G39.7Very low66.4Low64 Ų6486.9 Ų86.966%0.6649%0.489SS*.THydrogen-bonded Turntrans-156.6-20.9-178.300000115.7G57 K61G57-G59 PolarHBondContact O-N 3.17Å; G59-K61 PolarHBondContact O-N 3.36Å
60N41Very low66.5Low93 Ų9383.2 Ų83.250%0.49748%0.475SS..  trans-99.181.6177.7-8826.5000111.4E62 R66N60-E62 PolarHBondContact O-N 3.39Å; N60-R66 PolarHBondContact ND2-NH2 2.77Å; N60-R66 PolarHBondContact OD1-NH2 3.49Å
61K43.3Very low66.6Low214 Ų21480.9 Ų80.993%0.9347%0.47SS*.THydrogen-bonded Turntrans-68.6-3.4164.4-70.1-173.5177.2-179.20113.2G59G59-K61 PolarHBondContact O-N 3.36Å
62E43.8Very low66.7Low194 Ų19481.9 Ų81.991%0.90748%0.475SS*.THydrogen-bonded Turntrans-12918.9-176.8-60.3-168.4169.900114.3N60N60-E62 PolarHBondContact O-N 3.39Å
63G47.8Very low66.8Low32 Ų3287 Ų8733%0.3350%0.497SS..SBendtrans-111.8147.9179.300000113.5
64P38.8Very low67.1Low85 Ų8579.8 Ų79.855%0.55247%0.472SS*.PPolyproline II helixtrans-58.8156.1170.426.5-32.6000110.7R66P64-R66 PolarHBondContact O-N 2.71Å; P64-R66 VanDerWaalsContact O-N 3.1Å
65P45.2Very low67.6Low132 Ų13278 Ų7886%0.85746%0.463SS*.PPolyproline II helixtrans-52.2117.8-171.918.6-31.4000111.6
66R56.2Low68Low114 Ų11478.1 Ų78.143%0.4346%0.464SS..PPolyproline II helixtrans-73.4130.2178-69.1173.3168.7-132.47.4108.4L55 N60 P64L55-R66 WeakPolarHBondContact O-CD 3.31Å; L55-R66 PolarHBondContact O-NH1 2.98Å; N60-R66 PolarHBondContact ND2-NH2 2.77Å; N60-R66 PolarHBondContact OD1-NH2 3.49Å; P64-R66 PolarHBondContact O-N 2.71Å; P64-R66 VanDerWaalsContact O-N 3.1Å
67G59.1Low69.6Low32 Ų3276.5 Ų76.533%0.3345%0.445SS..PPolyproline II helixtrans-59163.6-169.700000114.1H69G67-H69 VanDerWaalsContact C-N 3.27Å; G67-H69 PolarHBondContact O-CD2 2.92Å; G67-H69 PolarHBondContact O-N 2.92Å; G67-H69 PolarHBondContact O-NE2 2.99Å
68N83.5Confident72.1Confident140 Ų14080.2 Ų80.275%0.74946%0.456SS*.  trans-70.680.8174.2-79.5-6.8000110T37 F93T37-N68 WeakPolarHBondContact CG2-O 3.42Å; N68-F93 WeakPolarHBondContact O-CE1 3.31Å
69H94.9Very high75Confident29 Ų2975.4 Ų75.413%0.13443%0.428CS..  trans-74.1147.2175.3-52.8-77000110.6A36 V38 V52 L55 G67A36-H69 PolarHBondContact O-CE1 2.86Å; A36-H69 VanDerWaalsContact O-CE1 3.32Å; V38-H69 WeakPolarHBondContact CB-ND1 3.26Å; V38-H69 PolarHBondContact N-ND1 2.75Å; V38-H69 VanDerWaalsContact O-CA 3.25Å; V38-H69 WeakPolarHBondContact O-CA 3.48Å; V38-H69 WeakPolarHBondContact O-CB 3.47Å; V52-H69 HydrophobicContact CG1-CB 4.02Å; V52-H69 HydrophobicContact CG2-CB 4.48Å; L55-H69 HydrophobicContact CB-CB 4.32Å; L55-H69 VanDerWaalsContact CB-CD2 3.5Å; L55-H69 WeakPolarHBondContact CB-CD2 3.2Å; L55-H69 HydrophobicContact CD1-CB 3.99Å; G67-H69 VanDerWaalsContact C-N 3.27Å; G67-H69 PolarHBondContact O-CD2 2.92Å; G67-H69 PolarHBondContact O-N 2.92Å; G67-H69 PolarHBondContact O-NE2 2.99Å
70A96.8Very high77.8Confident20 Ų2082 Ų8217%0.16543%0.433CS..EExtended strand (participates in β ladder)trans-137.8148.2177.900000112V38 A39 A40 F72 F93V38-A70 PolarHBondContact O-N 3.3Å; A39-A70 CarbonylContact C-O 3.39Å; A39-A70 WeakPolarHBondContact CA-O 3.39Å; A40-A70 PolarHBondContact N-O 2.98Å; A70-F72 HydrophobicContact CB-CE2 3.74Å; A70-F72 HydrophobicContact CB-CZ 4.03Å; A70-F93 HydrophobicContact CB-CE2 4.09Å; A70-F93 HydrophobicContact CB-CZ 3.56Å
71A98.2Very high80.5Confident37 Ų3778.1 Ų78.131%0.30641%0.414SS..EExtended strand (participates in β ladder)trans-101.6139.2178.800000110.2A40 A48 Q49 V52A40-A71 CarbonylContact O-C 3.51Å; A40-A71 VanDerWaalsContact O-CA 3.3Å; A40-A71 WeakPolarHBondContact O-CA 3.03Å; A48-A71 HydrophobicContact CB-CB 4.04Å; Q49-A71 HydrophobicContact CB-CB 4.38Å; Q49-A71 HydrophobicContact CG-CB 3.76Å; V52-A71 HydrophobicContact CB-CB 4.49Å; V52-A71 HydrophobicContact CG2-CB 3.86Å
72F98.6Very high83Confident22 Ų2268 Ų6810%0.09637%0.371CS..EExtended strand (participates in β ladder)trans-129.5146.6177.3-60.2-92.2000109.5A39 A40 C41 D42 A70 L85 Q88 V89 C92 F93A39-F72 HydrophobicContact CB-CD2 4Å; A39-F72 HydrophobicContact CB-CE2 3.59Å; A40-F72 PolarHBondContact O-N 2.82Å; C41-F72 WeakPolarHBondContact CA-O 3.15Å; C41-F72 HydrophobicContact CB-CB 4.29Å; D42-F72 PolarHBondContact N-O 3.38Å; D42-F72 VanDerWaalsContact N-O 3.12Å; A70-F72 HydrophobicContact CB-CE2 3.74Å; A70-F72 HydrophobicContact CB-CZ 4.03Å; F72-L85 HydrophobicContact CB-CD1 3.61Å; F72-L85 HydrophobicContact CD1-CD1 4.39Å; F72-L85 HydrophobicContact CG-CD1 4.01Å; F72-Q88 HydrophobicContact CD1-CB 3.97Å; F72-Q88 HydrophobicContact CE1-CB 3.84Å; F72-V89 HydrophobicContact CD1-CG2 4.37Å; F72-V89 HydrophobicContact CD2-CG2 4.16Å; F72-V89 HydrophobicContact CE1-CG2 4.12Å; F72-V89 HydrophobicContact CE2-CG2 3.91Å; F72-V89 HydrophobicContact CG-CG2 4.39Å; F72-V89 HydrophobicContact CZ-CG2 3.89Å; F72-C92 HydrophobicContact CE1-CB 4.42Å; F72-C92 HydrophobicContact CZ-CB 3.99Å; F72-F93 AromaticContact CE2-CE2 3.98Å; F72-F93 HydrophobicContact CE2-CE2 3.98Å; F72-F93 AromaticContact CZ-CE2 3.97Å; F72-F93 HydrophobicContact CZ-CE2 3.97Å
73Q98.6Very high85.5Confident134 Ų13465.9 Ų65.963%0.62635%0.354SS*.EExtended strand (participates in β ladder)trans-110.8122.1172.2-171.7-172.50.800109.1D42 L43D42-Q73 VanDerWaalsContact O-CA 3.3Å; D42-Q73 WeakPolarHBondContact O-CA 3.28Å; L43-Q73 WeakPolarHBondContact O-CG 3.46Å; L43-Q73 PolarHBondContact O-NE2 2.79Å; L43-Q73 VanDerWaalsContact O-NE2 3.13Å
74A98.4Very high87.9Confident11 Ų1170.2 Ų70.29%0.09136%0.361CS..  trans-154.7143.617400000111.7D42 L85D42-A74 PolarHBondContact O-N 2.86Å; A74-L85 HydrophobicContact CB-CB 4.16Å; A74-L85 HydrophobicContact CB-CD1 4.36Å; A74-L85 HydrophobicContact CB-CD2 4.25Å; A74-L85 HydrophobicContact CB-CG 4.49Å
75D98.6Very high90.8Very high54 Ų5466.1 Ų66.129%0.28933%0.334SS..  trans-87.4117.2164-171.9-19.4000109.1L43 S77 E78 A81L43-D75 HydrophobicContact CD1-CB 3.79Å; D75-S77 VanDerWaalsContact C-N 3.26Å; D75-S77 PolarHBondContact O-N 2.79Å; D75-S77 WeakPolarHBondContact OD1-CB 3.3Å; D75-S77 PolarHBondContact OD1-N 2.99Å; D75-S77 PolarHBondContact OD1-OG 2.88Å; D75-S77 PolarHBondContact OD2-OG 2.99Å; D75-E78 HydrophobicContact CB-CB 4.46Å; D75-E78 HydrophobicContact CB-CG 4.29Å; D75-E78 PolarHBondContact O-N 2.8Å; D75-A81 WeakPolarHBondContact O-CB 3.38Å
76V98.6Very high93.3Very high9 Ų960 Ų606%0.05530%0.295CS..THydrogen-bonded Turntrans-70.5-22.8-179-63.20000112.7T17 E78 A104 V126 G130 L133 V134T17-V76 HydrophobicContact CG2-CG1 4.09Å; V76-E78 PolarHBondContact O-N 3.02Å; V76-A104 HydrophobicContact CG1-CB 4.14Å; V76-A104 HydrophobicContact CG2-CB 3.88Å; V76-V126 HydrophobicContact CG2-CG1 4.19Å; V76-G130 WeakPolarHBondContact O-CA 3.46Å; V76-L133 WeakPolarHBondContact O-CD1 3.3Å; V76-V134 HydrophobicContact CB-CG2 4.17Å; V76-V134 HydrophobicContact CG1-CG2 3.86Å
77S98.5Very high95.3Very high14 Ų1459.4 Ų59.410%0.09830%0.297CS..THydrogen-bonded Turntrans-71.2-15.7-179.973.80000113.3D75 A125 K129D75-S77 VanDerWaalsContact C-N 3.26Å; D75-S77 PolarHBondContact O-N 2.79Å; D75-S77 WeakPolarHBondContact OD1-CB 3.3Å; D75-S77 PolarHBondContact OD1-N 2.99Å; D75-S77 PolarHBondContact OD1-OG 2.88Å; D75-S77 PolarHBondContact OD2-OG 2.99Å; S77-A125 WeakPolarHBondContact CA-O 3.25Å; S77-A125 WeakPolarHBondContact CB-O 3.32Å; S77-K129 WeakPolarHBondContact O-CE 3.36Å; S77-K129 PolarHBondContact O-NZ 2.88Å
78E98.5Very high97.2Very high104 Ų10462.5 Ų62.549%0.48630%0.302SS..  trans-97.6113.6-177.3-74.2-59.6149.100112D75 V76 R80 A81 A82D75-E78 HydrophobicContact CB-CB 4.46Å; D75-E78 HydrophobicContact CB-CG 4.29Å; D75-E78 PolarHBondContact O-N 2.8Å; V76-E78 PolarHBondContact O-N 3.02Å; E78-R80 VanDerWaalsContact C-N 3.27Å; E78-R80 PolarHBondContact O-N 3.13Å; E78-R80 VanDerWaalsContact O-N 3.17Å; E78-A81 HydrophobicContact CB-CB 3.74Å; E78-A81 PolarHBondContact O-N 2.71Å; E78-A82 PolarHBondContact O-N 3.48Å
79A97.4Very high97.9Very high49 Ų4955.9 Ų55.941%0.40527%0.267SS..Hα-helixtrans-56.4-39.3-175.100000113.5R83 L133A79-R83 PolarHBondContact O-N 3.29Å; A79-L133 HydrophobicContact CB-CD1 4.12Å; A79-L133 HydrophobicContact CB-CD2 3.79Å
80R97.9Very high98Very high202 Ų20257.2 Ų57.276%0.76227%0.273SS*.Hα-helixtrans-70.4-35177-66.1-176177.5-176.7-0.4112E78 R84E78-R80 VanDerWaalsContact C-N 3.27Å; E78-R80 PolarHBondContact O-N 3.13Å; E78-R80 VanDerWaalsContact O-N 3.17Å; R80-R84 WeakPolarHBondContact O-CB 3.46Å; R80-R84 WeakPolarHBondContact O-CG 3.37Å; R80-R84 PolarHBondContact O-N 3.06Å
81A97.4Very high98Very high12 Ų1260.1 Ų60.110%0.09930%0.297CS..Hα-helixtrans-72.4-43.4-18000000111.4D75 E78 R83 R84 L85D75-A81 WeakPolarHBondContact O-CB 3.38Å; E78-A81 HydrophobicContact CB-CB 3.74Å; E78-A81 PolarHBondContact O-N 2.71Å; A81-R83 VanDerWaalsContact C-N 3.31Å; A81-R83 PolarHBondContact O-N 2.66Å; A81-R84 PolarHBondContact O-N 2.85Å; A81-L85 WeakPolarHBondContact O-CB 3.46Å; A81-L85 PolarHBondContact O-N 3.48Å
82A96.4Very high98Very high2 Ų261.8 Ų61.82%0.01731%0.306CS..Hα-helixtrans-59-40.7175.200000112.5E78 L86 L133 V134E78-A82 PolarHBondContact O-N 3.48Å; A82-L86 PolarHBondContact O-N 3.37Å; A82-L133 HydrophobicContact CB-CB 3.7Å; A82-V134 HydrophobicContact CB-CG2 4.41Å
83R96.9Very high97.8Very high149 Ų14962.2 Ų62.256%0.56231%0.308SS*.Hα-helixtrans-64.8-50.8173.9-175-179.6-63.9168.70.9111.9A79 A81 L85 L86 E87A79-R83 PolarHBondContact O-N 3.29Å; A81-R83 VanDerWaalsContact C-N 3.31Å; A81-R83 PolarHBondContact O-N 2.66Å; R83-L85 PolarHBondContact O-N 2.75Å; R83-L86 PolarHBondContact O-N 2.88Å; R83-L86 VanDerWaalsContact O-N 3.15Å; R83-E87 WeakPolarHBondContact CG-OE1 3.38Å; R83-E87 PolarHBondContact O-N 2.86Å; R83-E87 VanDerWaalsContact O-N 3.12Å
84R98.1Very high97.7Very high123 Ų12361.3 Ų61.346%0.46432%0.316SS..Hα-helixtrans-59.9-34.2179.2-77.6-169.5-55.7-102-1.5112.5R80 A81 L86 E87 Q88R80-R84 WeakPolarHBondContact O-CB 3.46Å; R80-R84 WeakPolarHBondContact O-CG 3.37Å; R80-R84 PolarHBondContact O-N 3.06Å; A81-R84 PolarHBondContact O-N 2.85Å; R84-L86 PolarHBondContact O-N 3.05Å; R84-E87 WeakPolarHBondContact O-CB 3.27Å; R84-E87 PolarHBondContact O-N 3.25Å; R84-Q88 WeakPolarHBondContact O-CB 3.43Å; R84-Q88 VanDerWaalsContact O-CG 3.25Å; R84-Q88 WeakPolarHBondContact O-CG 3.25Å; R84-Q88 PolarHBondContact O-N 2.97Å
85L98.5Very high97.7Very high0 Ų065.1 Ų65.10%033%0.328CS..Hα-helixtrans-56.3-50.5174.8172.862.9000110.9L15 T17 C41 F72 A74 A81 R83 E87 Q88 V89L15-L85 HydrophobicContact CD1-CD1 4.28Å; L15-L85 HydrophobicContact CD1-CD2 4.29Å; L15-L85 HydrophobicContact CD1-CG 4.4Å; L15-L85 HydrophobicContact CD2-CD2 4.18Å; L15-L85 HydrophobicContact CD2-CG 4.33Å; T17-L85 HydrophobicContact CG2-CD2 4.15Å; C41-L85 HydrophobicContact CB-CD1 3.97Å; C41-L85 HydrophobicContact CB-CD2 4.15Å; C41-L85 VanDerWaalsContact SG-CD2 3.52Å; F72-L85 HydrophobicContact CB-CD1 3.61Å; F72-L85 HydrophobicContact CD1-CD1 4.39Å; F72-L85 HydrophobicContact CG-CD1 4.01Å; A74-L85 HydrophobicContact CB-CB 4.16Å; A74-L85 HydrophobicContact CB-CD1 4.36Å; A74-L85 HydrophobicContact CB-CD2 4.25Å; A74-L85 HydrophobicContact CB-CG 4.49Å; A81-L85 WeakPolarHBondContact O-CB 3.46Å; A81-L85 PolarHBondContact O-N 3.48Å; R83-L85 PolarHBondContact O-N 2.75Å; L85-E87 VanDerWaalsContact C-N 3.34Å; L85-E87 PolarHBondContact O-N 2.9Å; L85-Q88 PolarHBondContact O-N 3.43Å; L85-V89 HydrophobicContact CD1-CG2 4.23Å; L85-V89 VanDerWaalsContact O-CG2 3.25Å; L85-V89 WeakPolarHBondContact O-CG2 3.42Å; L85-V89 PolarHBondContact O-N 3.3Å
86L98Very high97.6Very high4 Ų463.2 Ų63.22%0.02132%0.319CS..Hα-helixtrans-66.9-34.8178.6-87.6-61.7000112.4L15 A82 R83 R84 Q90 P97 A137L15-L86 HydrophobicContact CD2-CD1 3.91Å; L15-L86 HydrophobicContact CD2-CD2 3.76Å; A82-L86 PolarHBondContact O-N 3.37Å; R83-L86 PolarHBondContact O-N 2.88Å; R83-L86 VanDerWaalsContact O-N 3.15Å; R84-L86 PolarHBondContact O-N 3.05Å; L86-Q90 WeakPolarHBondContact O-CB 3.41Å; L86-Q90 VanDerWaalsContact O-CG 3.31Å; L86-Q90 WeakPolarHBondContact O-CG 3.38Å; L86-Q90 PolarHBondContact O-N 2.88Å; L86-Q90 PolarHBondContact O-NE2 3.31Å; L86-P97 HydrophobicContact CD1-CG 3.64Å; L86-A137 HydrophobicContact CB-CB 4.3Å; L86-A137 HydrophobicContact CD2-CB 3.82Å; L86-A137 HydrophobicContact CG-CB 3.83Å
87E98.1Very high97.6Very high101 Ų10162.8 Ų62.847%0.47232%0.316SS..Hα-helixtrans-62.4-46.1173.1-68.4167.9-179.100111.2R83 R84 L85 Q90 A91R83-E87 WeakPolarHBondContact CG-OE1 3.38Å; R83-E87 PolarHBondContact O-N 2.86Å; R83-E87 VanDerWaalsContact O-N 3.12Å; R84-E87 WeakPolarHBondContact O-CB 3.27Å; R84-E87 PolarHBondContact O-N 3.25Å; L85-E87 VanDerWaalsContact C-N 3.34Å; L85-E87 PolarHBondContact O-N 2.9Å; E87-Q90 PolarHBondContact O-N 3.39Å; E87-A91 WeakPolarHBondContact O-CB 3.25Å; E87-A91 PolarHBondContact O-N 3.2Å
88Q98.4Very high97.7Very high97 Ų9763.9 Ų63.945%0.45332%0.324SS..Hα-helixtrans-65-42178-73.6175.3-26.600112.2F72 R84 L85 A91 C92F72-Q88 HydrophobicContact CD1-CB 3.97Å; F72-Q88 HydrophobicContact CE1-CB 3.84Å; R84-Q88 WeakPolarHBondContact O-CB 3.43Å; R84-Q88 VanDerWaalsContact O-CG 3.25Å; R84-Q88 WeakPolarHBondContact O-CG 3.25Å; R84-Q88 PolarHBondContact O-N 2.97Å; L85-Q88 PolarHBondContact O-N 3.43Å; Q88-A91 PolarHBondContact O-N 2.82Å; Q88-C92 VanDerWaalsContact O-CB 3.25Å; Q88-C92 WeakPolarHBondContact O-CB 3.48Å; Q88-C92 PolarHBondContact O-N 2.98Å
89V98.2Very high97.7Very high0 Ų059.1 Ų59.10%030%0.302CS..Hα-helixtrans-61.3-48.2175.2170.10000110.1L13 L15 A39 F72 L85 A91 C92 F93 P97L13-V89 HydrophobicContact CD2-CG1 4.03Å; L15-V89 HydrophobicContact CD1-CG2 4.11Å; A39-V89 HydrophobicContact CB-CG1 4.26Å; A39-V89 HydrophobicContact CB-CG2 4.02Å; F72-V89 HydrophobicContact CD1-CG2 4.37Å; F72-V89 HydrophobicContact CD2-CG2 4.16Å; F72-V89 HydrophobicContact CE1-CG2 4.12Å; F72-V89 HydrophobicContact CE2-CG2 3.91Å; F72-V89 HydrophobicContact CG-CG2 4.39Å; F72-V89 HydrophobicContact CZ-CG2 3.89Å; L85-V89 HydrophobicContact CD1-CG2 4.23Å; L85-V89 VanDerWaalsContact O-CG2 3.25Å; L85-V89 WeakPolarHBondContact O-CG2 3.42Å; L85-V89 PolarHBondContact O-N 3.3Å; V89-A91 PolarHBondContact O-N 3.47Å; V89-C92 PolarHBondContact O-N 2.87Å; V89-F93 HydrophobicContact CG1-CD2 3.99Å; V89-F93 WeakPolarHBondContact O-CB 3.3Å; V89-F93 VanDerWaalsContact O-CD2 3.24Å; V89-F93 WeakPolarHBondContact O-CD2 3.35Å; V89-F93 PolarHBondContact O-N 2.97Å; V89-P97 HydrophobicContact CG1-CG 4.29Å
90Q97.6Very high97.7Very high57 Ų5756.8 Ų56.827%0.26628%0.282SS..Hα-helixtrans-64.2-38.7178-75.7171.799.500112.5L86 E87 S94 P96L86-Q90 WeakPolarHBondContact O-CB 3.41Å; L86-Q90 VanDerWaalsContact O-CG 3.31Å; L86-Q90 WeakPolarHBondContact O-CG 3.38Å; L86-Q90 PolarHBondContact O-N 2.88Å; L86-Q90 PolarHBondContact O-NE2 3.31Å; E87-Q90 PolarHBondContact O-N 3.39Å; Q90-S94 WeakPolarHBondContact O-CA 3.36Å; Q90-S94 PolarHBondContact O-N 3.04Å; Q90-P96 HydrophobicContact CG-CB 4.35Å
91A97.8Very high97.8Very high81 Ų8147.1 Ų47.167%0.66925%0.246SC*.Hα-helixtrans-66.2-38.8175.500000112.2E87 Q88 V89E87-A91 WeakPolarHBondContact O-CB 3.25Å; E87-A91 PolarHBondContact O-N 3.2Å; Q88-A91 PolarHBondContact O-N 2.82Å; V89-A91 PolarHBondContact O-N 3.47Å
92C96.5Very high97.9Very high72 Ų7246.7 Ų46.749%0.48624%0.242SC..Hα-helixtrans-72.3-34.4-179.5-171.40000112.8F72 Q88 V89F72-C92 HydrophobicContact CE1-CB 4.42Å; F72-C92 HydrophobicContact CZ-CB 3.99Å; Q88-C92 VanDerWaalsContact O-CB 3.25Å; Q88-C92 WeakPolarHBondContact O-CB 3.48Å; Q88-C92 PolarHBondContact O-N 2.98Å; V89-C92 PolarHBondContact O-N 2.87Å
93F95.9Very high98Very high31 Ų3147.7 Ų47.714%0.13625%0.249CC..Hα-helixtrans-113.1-5.2-171.9-65.3-65.1000114.8L13 T37 A39 N68 A70 F72 V89 R95L13-F93 HydrophobicContact CD1-CB 4.4Å; L13-F93 HydrophobicContact CD1-CD1 4.17Å; L13-F93 HydrophobicContact CD1-CD2 3.73Å; L13-F93 HydrophobicContact CD1-CE1 4.43Å; L13-F93 HydrophobicContact CD1-CE2 4Å; L13-F93 HydrophobicContact CD1-CG 3.81Å; L13-F93 HydrophobicContact CD1-CZ 4.32Å; L13-F93 HydrophobicContact CD2-CB 3.59Å; L13-F93 HydrophobicContact CD2-CD2 3.88Å; L13-F93 HydrophobicContact CD2-CG 3.84Å; L13-F93 HydrophobicContact CG-CD2 4.46Å; T37-F93 HydrophobicContact CG2-CD1 4.09Å; T37-F93 HydrophobicContact CG2-CE1 3.66Å; T37-F93 HydrophobicContact CG2-CZ 4.2Å; A39-F93 HydrophobicContact CB-CE2 3.88Å; N68-F93 WeakPolarHBondContact O-CE1 3.31Å; A70-F93 HydrophobicContact CB-CE2 4.09Å; A70-F93 HydrophobicContact CB-CZ 3.56Å; F72-F93 AromaticContact CE2-CE2 3.98Å; F72-F93 HydrophobicContact CE2-CE2 3.98Å; F72-F93 AromaticContact CZ-CE2 3.97Å; F72-F93 HydrophobicContact CZ-CE2 3.97Å; V89-F93 HydrophobicContact CG1-CD2 3.99Å; V89-F93 WeakPolarHBondContact O-CB 3.3Å; V89-F93 VanDerWaalsContact O-CD2 3.24Å; V89-F93 WeakPolarHBondContact O-CD2 3.35Å; V89-F93 PolarHBondContact O-N 2.97Å; F93-R95 HydrophobicContact CB-CG 4.3Å; F93-R95 PolarHBondContact O-N 3.04Å; F93-R95 VanDerWaalsContact O-N 3.13Å
94S96.8Very high98Very high115 Ų11541.4 Ų41.480%0.80423%0.228SC*.SBendtrans55.924.3-176.8-54.80000114.2Q90Q90-S94 WeakPolarHBondContact O-CA 3.36Å; Q90-S94 PolarHBondContact O-N 3.04Å
95R96.7Very high97.9Very high92 Ų9236.7 Ų36.735%0.34722%0.218SC..SBendtrans-159.5151.9177.765.4-170.7178.9152.54.2111S11 A12 L13 F93S11-R95 PolarHBondContact O-NH1 3.37Å; A12-R95 PolarHBondContact O-NH2 3.28Å; L13-R95 HydrophobicContact CD2-CG 3.87Å; L13-R95 WeakPolarHBondContact CD2-O 3.4Å; F93-R95 HydrophobicContact CB-CG 4.3Å; F93-R95 PolarHBondContact O-N 3.04Å; F93-R95 VanDerWaalsContact O-N 3.13Å
96P98.4Very high97.9Very high14 Ų1439.5 Ų39.59%0.09123%0.233CC..  trans-70.5152.6172.531.9-37.3000111.5Q90 S98 A141 L142 C147Q90-P96 HydrophobicContact CG-CB 4.35Å; P96-S98 PolarHBondContact O-N 3.09Å; P96-A141 HydrophobicContact CB-CB 4.01Å; P96-L142 HydrophobicContact CB-CD2 4.35Å; P96-L142 HydrophobicContact CG-CD2 4.32Å; P96-C147 HydrophobicContact CG-CB 4.23Å
97P98.5Very high97.8Very high0 Ų041.2 Ų41.20%024%0.243CC..  trans-68.4118.6173.328.3-32.9000110.5L13 L15 L86 V89 V99 V100 L142L13-P97 HydrophobicContact CD2-CB 4.32Å; L13-P97 HydrophobicContact CG-CB 4.09Å; L13-P97 CarbonylContact O-C 3.54Å; L13-P97 VanDerWaalsContact O-CA 3.27Å; L13-P97 WeakPolarHBondContact O-CA 3.19Å; L15-P97 HydrophobicContact CB-CB 3.85Å; L15-P97 HydrophobicContact CB-CG 4Å; L15-P97 HydrophobicContact CD2-CG 4.42Å; L86-P97 HydrophobicContact CD1-CG 3.64Å; V89-P97 HydrophobicContact CG1-CG 4.29Å; P97-V99 PolarHBondContact O-N 3.17Å; P97-V100 HydrophobicContact CB-CG2 3.97Å; P97-V100 HydrophobicContact CG-CG2 3.73Å; P97-L142 WeakPolarHBondContact O-CD2 3.26Å
98S98.7Very high97.7Very high36 Ų3640.2 Ų40.225%0.25224%0.239SC..SBendtrans-73.1-18.5174.661.50000112.7A12 L13 P96 G149 S150A12-S98 WeakPolarHBondContact CA-OG 3.37Å; L13-S98 PolarHBondContact N-OG 3.07Å; L13-S98 PolarHBondContact O-N 3.29Å; P96-S98 PolarHBondContact O-N 3.09Å; S98-G149 CarbonylContact O-C 3.6Å; S98-G149 WeakPolarHBondContact O-CA 3.11Å; S98-S150 PolarHBondContact O-N 3.14Å
99V98.9Very high97.6Very high4 Ų439.8 Ų39.82%0.02424%0.239CC..EExtended strand (participates in β ladder)trans-124.1128174.5177.90000108.3A12 L13 A14 L15 L31 P97 V101 S150 I152 A241A12-V99 HydrophobicContact CB-CG2 4.28Å; L13-V99 PolarHBondContact O-N 2.99Å; A14-V99 CarbonylContact C-O 3.58Å; A14-V99 VanDerWaalsContact CA-O 3.25Å; A14-V99 WeakPolarHBondContact CA-O 3.4Å; A14-V99 HydrophobicContact CB-CB 4.05Å; A14-V99 HydrophobicContact CB-CG1 4.24Å; L15-V99 PolarHBondContact N-O 2.95Å; L31-V99 HydrophobicContact CD1-CG1 4.37Å; P97-V99 PolarHBondContact O-N 3.17Å; V99-V101 HydrophobicContact CG1-CG2 4.02Å; V99-S150 WeakPolarHBondContact CA-O 3.26Å; V99-I152 HydrophobicContact CG1-CD1 4.45Å; V99-A241 HydrophobicContact CG1-CB 3.73Å; V99-A241 HydrophobicContact CG2-CB 3.9Å
100V98.9Very high97.5Very high0 Ų043.1 Ų43.10%026%0.255CS..EExtended strand (participates in β ladder)trans-129.8122.9176.51780000108.8L15 P97 V134 A138 S150 I151 I152L15-V100 HydrophobicContact CB-CG2 4.28Å; L15-V100 HydrophobicContact CD2-CG1 4.47Å; L15-V100 CarbonylContact O-C 3.41Å; L15-V100 WeakPolarHBondContact O-CA 3.42Å; P97-V100 HydrophobicContact CB-CG2 3.97Å; P97-V100 HydrophobicContact CG-CG2 3.73Å; V100-V134 HydrophobicContact CG1-CG1 3.8Å; V100-A138 HydrophobicContact CB-CB 4.17Å; V100-A138 HydrophobicContact CG1-CB 4.09Å; V100-A138 HydrophobicContact CG2-CB 3.7Å; V100-S150 PolarHBondContact N-O 3.42Å; V100-I151 CarbonylContact O-C 3.46Å; V100-I151 WeakPolarHBondContact O-CA 3.43Å; V100-I152 PolarHBondContact O-N 3.44Å
101V98.9Very high97.5Very high0 Ų046 Ų460%027%0.267CS..EExtended strand (participates in β ladder)trans-119.5119.8-178.3-164.10000110.5L15 V16 T17 V27 L31 V99 C103 I152 I154 V237L15-V101 PolarHBondContact O-N 3.23Å; V16-V101 HydrophobicContact CG1-CB 4.38Å; V16-V101 HydrophobicContact CG2-CB 4.35Å; V16-V101 HydrophobicContact CG2-CG2 4.35Å; T17-V101 PolarHBondContact N-O 3.44Å; T17-V101 PolarHBondContact OG1-O 3.3Å; V27-V101 HydrophobicContact CG1-CB 4.38Å; V27-V101 HydrophobicContact CG1-CG1 4.26Å; V27-V101 HydrophobicContact CG1-CG2 4.15Å; L31-V101 HydrophobicContact CD1-CG2 4.28Å; V99-V101 HydrophobicContact CG1-CG2 4.02Å; V101-C103 VanDerWaalsContact CG1-SG 3.56Å; V101-C103 PolarHBondContact O-N 2.94Å; V101-I152 VanDerWaalsContact CA-O 3.29Å; V101-I152 WeakPolarHBondContact CA-O 3.2Å; V101-I152 HydrophobicContact CG1-CB 4.37Å; V101-I152 HydrophobicContact CG1-CG2 4.48Å; V101-I152 HydrophobicContact CG2-CB 4.45Å; V101-I152 HydrophobicContact CG2-CD1 4.41Å; V101-I154 HydrophobicContact CG1-CD1 4.2Å; V101-I154 HydrophobicContact CG1-CG1 4.27Å; V101-V237 HydrophobicContact CB-CG1 4.49Å; V101-V237 HydrophobicContact CG1-CG1 3.92Å; V101-V237 HydrophobicContact CG1-CG2 4.45Å; V101-V237 HydrophobicContact CG2-CG1 3.73Å
102S98.9Very high97.5Very high3 Ų347.9 Ų47.92%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-96.287.2177.9-71.60000111.6T17 I152 I154T17-S102 WeakPolarHBondContact OG1-CA 3.39Å; S102-I152 PolarHBondContact N-O 3.39Å; S102-I154 WeakPolarHBondContact O-CB 3.32Å; S102-I154 WeakPolarHBondContact O-CG1 3.33Å; S102-I154 PolarHBondContact O-N 2.9Å; S102-I154 VanDerWaalsContact O-N 3.08Å
103C98.5Very high97.6Very high22 Ų2252 Ų5215%0.14928%0.281CS..  trans-97.2-14.7174.3-49.70000113.4T17 V101 G105 I154T17-C103 CarbonylContact O-C 3.56Å; T17-C103 WeakPolarHBondContact O-CA 3.44Å; T17-C103 WeakPolarHBondContact O-CB 3.49Å; T17-C103 PolarHBondContact O-N 2.97Å; T17-C103 VanDerWaalsContact O-N 3.12Å; V101-C103 VanDerWaalsContact CG1-SG 3.56Å; V101-C103 PolarHBondContact O-N 2.94Å; C103-G105 PolarHBondContact O-N 3.08Å; C103-I154 HydrophobicContact CB-CG1 4.17Å; C103-I154 VanDerWaalsContact SG-CG1 3.52Å
104A97.1Very high97.7Very high17 Ų1757.1 Ų57.114%0.1431%0.305CS..  trans-57.4125177.600000110.6T17 V76T17-A104 PolarHBondContact O-N 3.36Å; T17-A104 VanDerWaalsContact O-N 3.11Å; V76-A104 HydrophobicContact CG1-CB 4.14Å; V76-A104 HydrophobicContact CG2-CB 3.88Å
105G97.2Very high97.8Very high24 Ų2453.1 Ų53.125%0.24727%0.274CS..  trans-173.9154.1-17900000112.5C103 N127C103-G105 PolarHBondContact O-N 3.08Å; G105-N127 WeakPolarHBondContact CA-OD1 3.25Å
106I97.5Very high97.9Very high59 Ų5951 Ų5130%0.30327%0.274SS..  trans-132.3166.718062167.7000111K122 V123 V126 N127 Y169I106-K122 HydrophobicContact CD1-CB 4.29Å; I106-V123 HydrophobicContact CD1-CG2 4.37Å; I106-V123 HydrophobicContact CG1-CG2 4.25Å; I106-V126 HydrophobicContact CD1-CB 4.31Å; I106-V126 HydrophobicContact CD1-CG2 3.98Å; I106-V126 HydrophobicContact CG1-CB 4.07Å; I106-V126 HydrophobicContact CG1-CG1 4.28Å; I106-V126 HydrophobicContact CG1-CG2 4.27Å; I106-V126 HydrophobicContact CG2-CG1 4.42Å; I106-N127 PolarHBondContact N-OD1 3.22Å; I106-N127 PolarHBondContact O-ND2 3.33Å; I106-N127 PolarHBondContact O-OD1 2.94Å; I106-Y169 WeakPolarHBondContact O-CD2 3.17Å
107T95.8Very high97.9Very high41 Ų4157.6 Ų57.625%0.25230%0.303SS..  trans-124.7145.217155.70000109.4D109 Y169 M206T107-D109 WeakPolarHBondContact CB-OD1 3.26Å; T107-Y169 HydrophobicContact CG2-CD2 3.73Å; T107-Y169 HydrophobicContact CG2-CE2 3.75Å; T107-Y169 HydrophobicContact CG2-CG 4.31Å; T107-M206 HydrophobicContact CG2-CE 4.37Å; T107-M206 HydrophobicContact CG2-CG 4.49Å; T107-M206 HydrophobicContact CG2-SD 3.87Å
108Q96.4Very high97.9Very high79 Ų7961.6 Ų61.637%0.36933%0.325SS..  trans-142.379.6168.9-68.6-62.9-6.100106.1D119 V123 N168Q108-D119 HydrophobicContact CB-CB 3.99Å; Q108-V123 HydrophobicContact CB-CG2 3.75Å; Q108-V123 HydrophobicContact CG-CG2 3.87Å; Q108-N168 PolarHBondContact O-ND2 2.85Å; Q108-N168 PolarHBondContact O-OD1 3.25Å
109D95.9Very high97.9Very high88 Ų8861.6 Ų61.647%0.47132%0.322SS..  trans-79.2126.2-169.9-68.310.2000109.7T107 G165 Q166T107-D109 WeakPolarHBondContact CB-OD1 3.26Å; D109-G165 CarbonylContact C-O 3.49Å; D109-G165 VanDerWaalsContact CA-O 3.27Å; D109-G165 WeakPolarHBondContact CA-O 3.37Å; D109-Q166 PolarHBondContact OD1-NE2 3.03Å; D109-Q166 PolarHBondContact OD2-NE2 3.29Å
110E97.1Very high97.9Very high71 Ų7165.9 Ų65.933%0.33234%0.338SS..BIsolated β-bridgetrans-156.3150.6176.5-175.752.9-87.800109.2H114 M115 G165E110-H114 HydrophobicContact CG-CB 3.93Å; E110-M115 HydrophobicContact CB-CB 4.37Å; E110-M115 HydrophobicContact CB-CE 4.34Å; E110-M115 HydrophobicContact CG-CB 4.35Å; E110-M115 WeakPolarHBondContact O-CE 3.2Å; E110-G165 PolarHBondContact N-O 2.9Å; E110-G165 CarbonylContact O-C 3.36Å; E110-G165 WeakPolarHBondContact O-CA 3.39Å
111F97.7Very high97.9Very high117 Ų11769.8 Ų69.851%0.51336%0.358SS..  trans-65.3145.9172.7-72.9-78.6000111.3L113 H114 M115 M164F111-L113 PolarHBondContact O-N 3.49Å; F111-H114 PolarHBondContact O-N 3.27Å; F111-M115 PolarHBondContact O-N 3.47Å; F111-M164 HydrophobicContact CD1-CG 4.45Å; F111-M164 HydrophobicContact CE1-CG 3.74Å; F111-M164 HydrophobicContact CE1-SD 3.87Å; F111-M164 HydrophobicContact CZ-SD 4.46Å
112L98.3Very high97.9Very high121 Ų12174.2 Ų74.263%0.63438%0.378SS*.THydrogen-bonded Turntrans-51.8-36.6-176.4179.162.7000114H114 T167L112-H114 PolarHBondContact O-N 3.37Å; L112-T167 HydrophobicContact CD1-CG2 3.82Å
113L98.1Very high97.9Very high157 Ų15774 Ų7482%0.82238%0.377SS*.THydrogen-bonded Turntrans-72.3-14.9-178.3-61-179.6000113.9F111F111-L113 PolarHBondContact O-N 3.49Å
114H98.3Very high97.9Very high139 Ų13974.8 Ų74.864%0.64438%0.379SS*.THydrogen-bonded Turntrans-124-8.3-174.4-60.8-40.8000113.5E110 F111 L112 S116E110-H114 HydrophobicContact CG-CB 3.93Å; F111-H114 PolarHBondContact O-N 3.27Å; L112-H114 PolarHBondContact O-N 3.37Å; H114-S116 PolarHBondContact O-N 3.12Å
115M98.5Very high98Very high31 Ų3175.2 Ų75.215%0.15338%0.382CS..  trans-59.4122.1178.5-176.8168.3-71.200110.4E110 F111 D119 W120 N168E110-M115 HydrophobicContact CB-CB 4.37Å; E110-M115 HydrophobicContact CB-CE 4.34Å; E110-M115 HydrophobicContact CG-CB 4.35Å; E110-M115 WeakPolarHBondContact O-CE 3.2Å; F111-M115 PolarHBondContact O-N 3.47Å; M115-D119 HydrophobicContact CG-CB 4.41Å; M115-W120 HydrophobicContact SD-CB 4.45Å; M115-W120 HydrophobicContact SD-CE3 4.13Å; M115-N168 HydrophobicContact CE-CB 4.13Å; M115-N168 HydrophobicContact SD-CB 3.83Å
116S98.7Very high98.1Very high47 Ų4775.2 Ų75.233%0.32938%0.378SS..  trans-75.4156.7174.276.30000111H114 D118 D119 W120H114-S116 PolarHBondContact O-N 3.12Å; S116-D118 PolarHBondContact O-N 2.84Å; S116-D119 PolarHBondContact O-N 3.29Å; S116-D119 PolarHBondContact OG-N 3.49Å; S116-D119 PolarHBondContact OG-OD2 3.27Å; S116-W120 PolarHBondContact O-N 2.84Å; S116-W120 VanDerWaalsContact O-N 3.14Å
117E98.8Very high98.1Very high153 Ų15372.4 Ų72.472%0.71536%0.363SS*.Hα-helixtrans-60.5-35.6171.9-175.2175.4-166.600111.4W120 D121E117-W120 WeakPolarHBondContact O-CB 3.27Å; E117-W120 PolarHBondContact O-N 2.87Å; E117-D121 WeakPolarHBondContact O-CB 3.41Å; E117-D121 PolarHBondContact O-N 2.71Å
118D98.5Very high98.3Very high84 Ų8472.6 Ų72.645%0.44936%0.362SS..Hα-helixtrans-65.3-42.3177.9178.465.5000112.4S116 W120 D121 K122S116-D118 PolarHBondContact O-N 2.84Å; D118-W120 VanDerWaalsContact C-N 3.3Å; D118-W120 PolarHBondContact O-N 3.28Å; D118-D121 PolarHBondContact O-N 2.89Å; D118-K122 VanDerWaalsContact O-CB 3.31Å; D118-K122 WeakPolarHBondContact O-CB 3.29Å; D118-K122 VanDerWaalsContact O-CG 3.24Å; D118-K122 WeakPolarHBondContact O-CG 3.25Å; D118-K122 PolarHBondContact O-N 3.38Å; D118-K122 WeakPolarHBondContact OD1-CE 3.39Å; D118-K122 IonicContact OD1-NZ 2.76Å; D118-K122 PolarHBondContact OD1-NZ 3.25Å; D118-K122 VanDerWaalsContact OD2-CE 3.26Å; D118-K122 WeakPolarHBondContact OD2-CE 3.5Å; D118-K122 IonicContact OD2-NZ 3.65Å; D118-K122 PolarHBondContact OD2-NZ 3.15Å
119D98.5Very high98.4Very high37 Ų3773.2 Ų73.220%0.19836%0.364CS..Hα-helixtrans-65.3-36.2174.8-65.2-43.6000111.8Q108 M115 S116 V123 N168Q108-D119 HydrophobicContact CB-CB 3.99Å; M115-D119 HydrophobicContact CG-CB 4.41Å; S116-D119 PolarHBondContact O-N 3.29Å; S116-D119 PolarHBondContact OG-N 3.49Å; S116-D119 PolarHBondContact OG-OD2 3.27Å; D119-V123 WeakPolarHBondContact O-CG2 3.25Å; D119-N168 PolarHBondContact O-ND2 3.47Å
120W98.8Very high98.6Very high94 Ų9469 Ų6936%0.35634%0.342SS..Hα-helixtrans-64.4-56.7173.1172-91000111.2M115 S116 E117 D118 K122 V123 I124 T167 N168 A171M115-W120 HydrophobicContact SD-CB 4.45Å; M115-W120 HydrophobicContact SD-CE3 4.13Å; S116-W120 PolarHBondContact O-N 2.84Å; S116-W120 VanDerWaalsContact O-N 3.14Å; E117-W120 WeakPolarHBondContact O-CB 3.27Å; E117-W120 PolarHBondContact O-N 2.87Å; D118-W120 VanDerWaalsContact C-N 3.3Å; D118-W120 PolarHBondContact O-N 3.28Å; W120-K122 PolarHBondContact O-N 2.85Å; W120-V123 PolarHBondContact O-N 3.38Å; W120-I124 HydrophobicContact CD2-CG1 4.14Å; W120-I124 HydrophobicContact CG-CG1 4.45Å; W120-I124 HydrophobicContact CH2-CD1 4.34Å; W120-I124 HydrophobicContact CZ2-CD1 4.04Å; W120-I124 HydrophobicContact CZ2-CG1 4.02Å; W120-I124 WeakPolarHBondContact O-CG1 3.33Å; W120-I124 PolarHBondContact O-N 3Å; W120-T167 HydrophobicContact CZ3-CG2 4.12Å; W120-N168 HydrophobicContact CD2-CB 4.39Å; W120-N168 HydrophobicContact CE3-CB 3.71Å; W120-N168 HydrophobicContact CZ3-CB 4.28Å; W120-A171 HydrophobicContact CH2-CB 3.63Å; W120-A171 HydrophobicContact CZ3-CB 4Å
121D98.8Very high98.6Very high81 Ų8165.9 Ų65.943%0.43333%0.327SS..Hα-helixtrans-62.2-42.2-173.6-80.7-13.2000112.3E117 D118 V123 I124 A125E117-D121 WeakPolarHBondContact O-CB 3.41Å; E117-D121 PolarHBondContact O-N 2.71Å; D118-D121 PolarHBondContact O-N 2.89Å; D121-V123 PolarHBondContact O-N 2.98Å; D121-I124 PolarHBondContact O-N 2.91Å; D121-A125 WeakPolarHBondContact O-CB 3.24Å; D121-A125 PolarHBondContact O-N 3.3Å
122K98.8Very high98.7Very high93 Ų9364.6 Ų64.640%0.40432%0.322SS..Hα-helixtrans-57.8-48.7177.5-79170.6174.2164.90111.8I106 D118 W120 A125 V126I106-K122 HydrophobicContact CD1-CB 4.29Å; D118-K122 VanDerWaalsContact O-CB 3.31Å; D118-K122 WeakPolarHBondContact O-CB 3.29Å; D118-K122 VanDerWaalsContact O-CG 3.24Å; D118-K122 WeakPolarHBondContact O-CG 3.25Å; D118-K122 PolarHBondContact O-N 3.38Å; D118-K122 WeakPolarHBondContact OD1-CE 3.39Å; D118-K122 IonicContact OD1-NZ 2.76Å; D118-K122 PolarHBondContact OD1-NZ 3.25Å; D118-K122 VanDerWaalsContact OD2-CE 3.26Å; D118-K122 WeakPolarHBondContact OD2-CE 3.5Å; D118-K122 IonicContact OD2-NZ 3.65Å; D118-K122 PolarHBondContact OD2-NZ 3.15Å; W120-K122 PolarHBondContact O-N 2.85Å; K122-A125 PolarHBondContact O-N 2.88Å; K122-V126 WeakPolarHBondContact O-CG2 3.36Å; K122-V126 PolarHBondContact O-N 3.29Å; K122-V126 VanDerWaalsContact O-N 3.15Å
123V98.8Very high98.7Very high0 Ų059.6 Ų59.60%030%0.295CS..Hα-helixtrans-67.6-43.4-178.4172.60000110.8I106 Q108 D119 W120 D121 N127 N168 Y169I106-V123 HydrophobicContact CD1-CG2 4.37Å; I106-V123 HydrophobicContact CG1-CG2 4.25Å; Q108-V123 HydrophobicContact CB-CG2 3.75Å; Q108-V123 HydrophobicContact CG-CG2 3.87Å; D119-V123 WeakPolarHBondContact O-CG2 3.25Å; W120-V123 PolarHBondContact O-N 3.38Å; D121-V123 PolarHBondContact O-N 2.98Å; V123-N127 WeakPolarHBondContact O-CB 3.41Å; V123-N127 PolarHBondContact O-N 3.45Å; V123-N168 HydrophobicContact CB-CB 4.03Å; V123-N168 HydrophobicContact CG1-CB 4.11Å; V123-N168 HydrophobicContact CG2-CB 4.5Å; V123-N168 WeakPolarHBondContact CG2-ND2 3.47Å; V123-Y169 HydrophobicContact CG1-CD2 4.48Å
124I98.9Very high98.8Very high37 Ų3752.1 Ų52.119%0.1926%0.256CS..Hα-helixtrans-64.2-42.5177.6-64.5-63000111.4W120 D121 V126 L128 K129 A171W120-I124 HydrophobicContact CD2-CG1 4.14Å; W120-I124 HydrophobicContact CG-CG1 4.45Å; W120-I124 HydrophobicContact CH2-CD1 4.34Å; W120-I124 HydrophobicContact CZ2-CD1 4.04Å; W120-I124 HydrophobicContact CZ2-CG1 4.02Å; W120-I124 WeakPolarHBondContact O-CG1 3.33Å; W120-I124 PolarHBondContact O-N 3Å; D121-I124 PolarHBondContact O-N 2.91Å; I124-V126 PolarHBondContact O-N 2.91Å; I124-L128 WeakPolarHBondContact O-CB 3.45Å; I124-L128 PolarHBondContact O-N 3.18Å; I124-L128 VanDerWaalsContact O-N 3.08Å; I124-K129 PolarHBondContact O-N 3.28Å; I124-A171 HydrophobicContact CD1-CB 4.34Å
125A98.9Very high98.8Very high26 Ų2645.8 Ų45.822%0.21523%0.228CC..Iπ-helixtrans-62.1-41.9-179.100000112.2S77 D121 K122 K129 G130S77-A125 WeakPolarHBondContact CA-O 3.25Å; S77-A125 WeakPolarHBondContact CB-O 3.32Å; D121-A125 WeakPolarHBondContact O-CB 3.24Å; D121-A125 PolarHBondContact O-N 3.3Å; K122-A125 PolarHBondContact O-N 2.88Å; A125-K129 WeakPolarHBondContact O-CB 3.29Å; A125-G130 PolarHBondContact O-N 3.08Å
126V98.8Very high98.8Very high25 Ų2548 Ų4815%0.15224%0.237CC..Iπ-helixtrans-79.8-56178.8177.80000111.1V76 I106 K122 I124 G130V76-V126 HydrophobicContact CG2-CG1 4.19Å; I106-V126 HydrophobicContact CD1-CB 4.31Å; I106-V126 HydrophobicContact CD1-CG2 3.98Å; I106-V126 HydrophobicContact CG1-CB 4.07Å; I106-V126 HydrophobicContact CG1-CG1 4.28Å; I106-V126 HydrophobicContact CG1-CG2 4.27Å; I106-V126 HydrophobicContact CG2-CG1 4.42Å; K122-V126 WeakPolarHBondContact O-CG2 3.36Å; K122-V126 PolarHBondContact O-N 3.29Å; K122-V126 VanDerWaalsContact O-N 3.15Å; I124-V126 PolarHBondContact O-N 2.91Å; V126-G130 VanDerWaalsContact O-CA 3.29Å; V126-G130 WeakPolarHBondContact O-CA 3.47Å; V126-G130 PolarHBondContact O-N 2.98Å
127N98.9Very high98.8Very high0 Ų046.2 Ų46.20%023%0.226CC..Iπ-helixtrans-78.6-31.8-165-64.68.6000113.5G105 I106 V123 T131 Y169 S172 V176G105-N127 WeakPolarHBondContact CA-OD1 3.25Å; I106-N127 PolarHBondContact N-OD1 3.22Å; I106-N127 PolarHBondContact O-ND2 3.33Å; I106-N127 PolarHBondContact O-OD1 2.94Å; V123-N127 WeakPolarHBondContact O-CB 3.41Å; V123-N127 PolarHBondContact O-N 3.45Å; N127-T131 PolarHBondContact O-OG1 3.49Å; N127-Y169 VanDerWaalsContact ND2-CD2 3.32Å; N127-Y169 WeakPolarHBondContact ND2-CD2 3.48Å; N127-Y169 WeakPolarHBondContact ND2-CE2 3.37Å; N127-S172 VanDerWaalsContact CB-OG 3.27Å; N127-S172 WeakPolarHBondContact CB-OG 3.36Å; N127-S172 PolarHBondContact ND2-OG 2.8Å; N127-V176 VanDerWaalsContact O-CG2 3.24Å; N127-V176 WeakPolarHBondContact O-CG2 3.38Å
128L98.9Very high98.8Very high45 Ų4539 Ų3924%0.23619%0.192CC..Iπ-helixtrans-107.1-58.5-177.1179.957.2000111.2I124 G130 T131 F132 G175 V176I124-L128 WeakPolarHBondContact O-CB 3.45Å; I124-L128 PolarHBondContact O-N 3.18Å; I124-L128 VanDerWaalsContact O-N 3.08Å; L128-G130 VanDerWaalsContact C-N 3.32Å; L128-G130 PolarHBondContact O-N 2.95Å; L128-T131 PolarHBondContact O-N 2.8Å; L128-F132 PolarHBondContact O-N 3.37Å; L128-G175 VanDerWaalsContact CD1-C 3.42Å; L128-V176 HydrophobicContact CD1-CG2 4.09Å
129K98.9Very high98.8Very high91 Ų9135.5 Ų35.540%0.39618%0.175SC..Iπ-helixtrans-62.9-40.3178.3176.9-166.6176.8-154.10110.9S77 I124 A125 F132 L133S77-K129 WeakPolarHBondContact O-CE 3.36Å; S77-K129 PolarHBondContact O-NZ 2.88Å; I124-K129 PolarHBondContact O-N 3.28Å; A125-K129 WeakPolarHBondContact O-CB 3.29Å; K129-F132 WeakPolarHBondContact O-CB 3.47Å; K129-F132 PolarHBondContact O-N 2.94Å; K129-L133 HydrophobicContact CG-CD1 3.97Å; K129-L133 HydrophobicContact CG-CG 4.31Å; K129-L133 VanDerWaalsContact O-CG 3.26Å; K129-L133 WeakPolarHBondContact O-CG 3.45Å; K129-L133 PolarHBondContact O-N 3.27Å
130G98.9Very high98.9Very high1 Ų138.3 Ų38.31%0.0119%0.187CC..Iπ-helixtrans-62.3-45.2176.800000113.3V76 A125 V126 L128 F132 L133 V134V76-G130 WeakPolarHBondContact O-CA 3.46Å; A125-G130 PolarHBondContact O-N 3.08Å; V126-G130 VanDerWaalsContact O-CA 3.29Å; V126-G130 WeakPolarHBondContact O-CA 3.47Å; V126-G130 PolarHBondContact O-N 2.98Å; L128-G130 VanDerWaalsContact C-N 3.32Å; L128-G130 PolarHBondContact O-N 2.95Å; G130-F132 VanDerWaalsContact C-N 3.32Å; G130-F132 PolarHBondContact O-N 2.8Å; G130-L133 PolarHBondContact O-N 2.94Å; G130-V134 WeakPolarHBondContact O-CG2 3.24Å; G130-V134 PolarHBondContact O-N 2.78Å
131T98.9Very high98.8Very high4 Ų434.2 Ų34.23%0.02517%0.173CC..Hα-helixtrans-60-41.3172.7-60.70000112N127 L128 T135 N153 V176 L179N127-T131 PolarHBondContact O-OG1 3.49Å; L128-T131 PolarHBondContact O-N 2.8Å; T131-T135 WeakPolarHBondContact O-CB 3.41Å; T131-T135 PolarHBondContact O-N 2.92Å; T131-T135 PolarHBondContact O-OG1 3.09Å; T131-N153 HydrophobicContact CG2-CB 4.05Å; T131-N153 WeakPolarHBondContact CG2-OD1 3.49Å; T131-V176 HydrophobicContact CG2-CG1 4.21Å; T131-V176 HydrophobicContact CG2-CG2 4.18Å; T131-L179 HydrophobicContact CG2-CD2 4.49Å
132F98.9Very high98.8Very high90 Ų9030.4 Ų30.440%0.39515%0.153SC..Hα-helixtrans-58.5-51.1173.9163.9-105.5000112.5L128 K129 G130 V134 T135 Q136 L179L128-F132 PolarHBondContact O-N 3.37Å; K129-F132 WeakPolarHBondContact O-CB 3.47Å; K129-F132 PolarHBondContact O-N 2.94Å; G130-F132 VanDerWaalsContact C-N 3.32Å; G130-F132 PolarHBondContact O-N 2.8Å; F132-V134 PolarHBondContact O-N 3Å; F132-T135 PolarHBondContact O-N 2.98Å; F132-Q136 VanDerWaalsContact O-CB 3.3Å; F132-Q136 WeakPolarHBondContact O-CB 3.41Å; F132-Q136 PolarHBondContact O-N 2.8Å; F132-L179 HydrophobicContact CB-CD1 3.52Å; F132-L179 HydrophobicContact CD2-CD1 4.19Å; F132-L179 HydrophobicContact CG-CD1 4.35Å
133L98.9Very high98.8Very high16 Ų1628.7 Ų28.78%0.08415%0.15CC..Hα-helixtrans-63-42.9-176.5-70169.6000111.9V76 A79 A82 K129 G130 A137V76-L133 WeakPolarHBondContact O-CD1 3.3Å; A79-L133 HydrophobicContact CB-CD1 4.12Å; A79-L133 HydrophobicContact CB-CD2 3.79Å; A82-L133 HydrophobicContact CB-CB 3.7Å; K129-L133 HydrophobicContact CG-CD1 3.97Å; K129-L133 HydrophobicContact CG-CG 4.31Å; K129-L133 VanDerWaalsContact O-CG 3.26Å; K129-L133 WeakPolarHBondContact O-CG 3.45Å; K129-L133 PolarHBondContact O-N 3.27Å; G130-L133 PolarHBondContact O-N 2.94Å; L133-A137 WeakPolarHBondContact O-CB 3.08Å; L133-A137 PolarHBondContact O-N 3.48Å
134V98.9Very high98.8Very high0 Ų033.9 Ų33.90%019%0.186CC..Hα-helixtrans-67.3-45.5177.1174.40000110.9T17 V76 A82 V100 G130 F132 Q136 A137 A138T17-V134 HydrophobicContact CG2-CG1 4.21Å; T17-V134 HydrophobicContact CG2-CG2 4.25Å; V76-V134 HydrophobicContact CB-CG2 4.17Å; V76-V134 HydrophobicContact CG1-CG2 3.86Å; A82-V134 HydrophobicContact CB-CG2 4.41Å; V100-V134 HydrophobicContact CG1-CG1 3.8Å; G130-V134 WeakPolarHBondContact O-CG2 3.24Å; G130-V134 PolarHBondContact O-N 2.78Å; F132-V134 PolarHBondContact O-N 3Å; V134-Q136 VanDerWaalsContact C-N 3.33Å; V134-Q136 PolarHBondContact O-N 2.57Å; V134-A137 PolarHBondContact O-N 3.01Å; V134-A138 VanDerWaalsContact O-CB 3.25Å; V134-A138 WeakPolarHBondContact O-CB 3.08Å; V134-A138 PolarHBondContact O-N 3.05Å
135T98.9Very high98.8Very high7 Ų734.8 Ų34.84%0.04320%0.196CC..Hα-helixtrans-58.8-45.6176.8-63.70000111.1T131 F132 A138 A139 I151 L179 A183T131-T135 WeakPolarHBondContact O-CB 3.41Å; T131-T135 PolarHBondContact O-N 2.92Å; T131-T135 PolarHBondContact O-OG1 3.09Å; F132-T135 PolarHBondContact O-N 2.98Å; T135-A138 PolarHBondContact O-N 2.76Å; T135-A139 VanDerWaalsContact O-CB 3.27Å; T135-A139 WeakPolarHBondContact O-CB 3.45Å; T135-A139 PolarHBondContact O-N 3.34Å; T135-I151 HydrophobicContact CG2-CD1 4.17Å; T135-I151 HydrophobicContact CG2-CG2 4.2Å; T135-L179 HydrophobicContact CG2-CD2 4.23Å; T135-A183 HydrophobicContact CG2-CB 4.35Å
136Q98.9Very high98.7Very high76 Ų7637 Ų3736%0.35522%0.221SC..Hα-helixtrans-62.1-50.1178.6180-178.269.400111.4F132 V134 A138 A139 Q140F132-Q136 VanDerWaalsContact O-CB 3.3Å; F132-Q136 WeakPolarHBondContact O-CB 3.41Å; F132-Q136 PolarHBondContact O-N 2.8Å; V134-Q136 VanDerWaalsContact C-N 3.33Å; V134-Q136 PolarHBondContact O-N 2.57Å; Q136-A138 VanDerWaalsContact C-N 3.33Å; Q136-A138 PolarHBondContact O-N 3.1Å; Q136-A139 PolarHBondContact O-N 3.15Å; Q136-Q140 WeakPolarHBondContact O-CB 3.41Å; Q136-Q140 VanDerWaalsContact O-CG 3.27Å; Q136-Q140 WeakPolarHBondContact O-CG 3.44Å; Q136-Q140 PolarHBondContact O-N 3.33Å
137A98.8Very high98.7Very high11 Ų1138.2 Ų38.29%0.09123%0.23CC..Hα-helixtrans-63-40.8-179.100000111.8L86 L133 V134 A141L86-A137 HydrophobicContact CB-CB 4.3Å; L86-A137 HydrophobicContact CD2-CB 3.82Å; L86-A137 HydrophobicContact CG-CB 3.83Å; L133-A137 WeakPolarHBondContact O-CB 3.08Å; L133-A137 PolarHBondContact O-N 3.48Å; V134-A137 PolarHBondContact O-N 3.01Å; A137-A141 WeakPolarHBondContact O-CB 3.42Å; A137-A141 PolarHBondContact O-N 3.1Å
138A98.8Very high98.7Very high1 Ų146.3 Ų46.31%0.00826%0.261CS..Hα-helixtrans-62.4-49.6174.900000112.4V100 V134 T135 Q136 Q140 A141 L142 I151V100-A138 HydrophobicContact CB-CB 4.17Å; V100-A138 HydrophobicContact CG1-CB 4.09Å; V100-A138 HydrophobicContact CG2-CB 3.7Å; V134-A138 VanDerWaalsContact O-CB 3.25Å; V134-A138 WeakPolarHBondContact O-CB 3.08Å; V134-A138 PolarHBondContact O-N 3.05Å; T135-A138 PolarHBondContact O-N 2.76Å; Q136-A138 VanDerWaalsContact C-N 3.33Å; Q136-A138 PolarHBondContact O-N 3.1Å; A138-Q140 VanDerWaalsContact C-N 3.33Å; A138-Q140 PolarHBondContact O-N 3.36Å; A138-A141 PolarHBondContact O-N 3.33Å; A138-L142 WeakPolarHBondContact O-CG 3.36Å; A138-L142 PolarHBondContact O-N 3.27Å; A138-I151 HydrophobicContact CB-CD1 4.19Å
139A98.8Very high98.7Very high10 Ų1044.7 Ų44.78%0.08326%0.255CS..Hα-helixtrans-60.3-43.8179.300000111.6T135 Q136 L142 V143 I151 L187T135-A139 VanDerWaalsContact O-CB 3.27Å; T135-A139 WeakPolarHBondContact O-CB 3.45Å; T135-A139 PolarHBondContact O-N 3.34Å; Q136-A139 PolarHBondContact O-N 3.15Å; A139-L142 PolarHBondContact O-N 2.87Å; A139-V143 WeakPolarHBondContact O-CB 3.23Å; A139-V143 VanDerWaalsContact O-CG2 3.28Å; A139-V143 WeakPolarHBondContact O-CG2 3.45Å; A139-V143 PolarHBondContact O-N 3.38Å; A139-I151 HydrophobicContact CB-CD1 4.24Å; A139-L187 HydrophobicContact CB-CD1 3.68Å; A139-L187 HydrophobicContact CB-CD2 3.87Å; A139-L187 HydrophobicContact CB-CG 4.45Å
140Q98.7Very high98.7Very high96 Ų9640.5 Ų40.545%0.44924%0.237SC..Hα-helixtrans-58.9-48.8174.7-73.6171.1-5.600111.4Q136 A138 L142 V143 S144Q136-Q140 WeakPolarHBondContact O-CB 3.41Å; Q136-Q140 VanDerWaalsContact O-CG 3.27Å; Q136-Q140 WeakPolarHBondContact O-CG 3.44Å; Q136-Q140 PolarHBondContact O-N 3.33Å; A138-Q140 VanDerWaalsContact C-N 3.33Å; A138-Q140 PolarHBondContact O-N 3.36Å; Q140-L142 PolarHBondContact O-N 3.46Å; Q140-V143 PolarHBondContact O-N 3.01Å; Q140-S144 VanDerWaalsContact O-CB 3.28Å; Q140-S144 WeakPolarHBondContact O-CB 3.32Å; Q140-S144 PolarHBondContact O-N 2.89Å; Q140-S144 PolarHBondContact O-OG 3.32Å; Q140-S144 VanDerWaalsContact O-OG 3.08Å
141A98.6Very high98.7Very high9 Ų940.4 Ų40.47%0.07424%0.237CC..Hα-helixtrans-61.8-41.9-179.600000112.8P96 A137 A138 S145P96-A141 HydrophobicContact CB-CB 4.01Å; A137-A141 WeakPolarHBondContact O-CB 3.42Å; A137-A141 PolarHBondContact O-N 3.1Å; A138-A141 PolarHBondContact O-N 3.33Å; A141-S145 VanDerWaalsContact O-CB 3.32Å; A141-S145 WeakPolarHBondContact O-CB 3.49Å; A141-S145 PolarHBondContact O-N 2.85Å; A141-S145 PolarHBondContact O-OG 3.41Å
142L98.8Very high98.7Very high1 Ų140.2 Ų40.21%0.00524%0.235CC..Hα-helixtrans-64.8-50177-73.8172.6000111.8P96 P97 A138 A139 Q140 S145 G146 C147 I192P96-L142 HydrophobicContact CB-CD2 4.35Å; P96-L142 HydrophobicContact CG-CD2 4.32Å; P97-L142 WeakPolarHBondContact O-CD2 3.26Å; A138-L142 WeakPolarHBondContact O-CG 3.36Å; A138-L142 PolarHBondContact O-N 3.27Å; A139-L142 PolarHBondContact O-N 2.87Å; Q140-L142 PolarHBondContact O-N 3.46Å; L142-S145 CarbonylContact O-C 3.58Å; L142-S145 PolarHBondContact O-N 2.87Å; L142-G146 PolarHBondContact O-N 2.87Å; L142-G146 VanDerWaalsContact O-N 3.14Å; L142-C147 HydrophobicContact CD2-CB 3.9Å; L142-C147 PolarHBondContact O-N 3.2Å; L142-I192 HydrophobicContact CB-CD1 3.61Å; L142-I192 HydrophobicContact CB-CG1 4.27Å; L142-I192 HydrophobicContact CD1-CD1 4.11Å; L142-I192 HydrophobicContact CD1-CG1 4.19Å; L142-I192 HydrophobicContact CD1-CG2 4.12Å
143V98.8Very high98.7Very high57 Ų5736 Ų3635%0.34522%0.217SC..Hα-helixtrans-62.8-46.9179.7172.50000111.3A139 Q140 S145 G146 H190 I192A139-V143 WeakPolarHBondContact O-CB 3.23Å; A139-V143 VanDerWaalsContact O-CG2 3.28Å; A139-V143 WeakPolarHBondContact O-CG2 3.45Å; A139-V143 PolarHBondContact O-N 3.38Å; Q140-V143 PolarHBondContact O-N 3.01Å; V143-S145 PolarHBondContact O-N 2.74Å; V143-G146 PolarHBondContact O-N 2.58Å; V143-H190 HydrophobicContact CG2-CB 4.04Å; V143-I192 HydrophobicContact CG2-CD1 3.74Å
144S98.4Very high98.7Very high108 Ų10835.6 Ų35.676%0.75522%0.215SC*.Hα-helixtrans-62-27.5179.1-68.70000113.2Q140Q140-S144 VanDerWaalsContact O-CB 3.28Å; Q140-S144 WeakPolarHBondContact O-CB 3.32Å; Q140-S144 PolarHBondContact O-N 2.89Å; Q140-S144 PolarHBondContact O-OG 3.32Å; Q140-S144 VanDerWaalsContact O-OG 3.08Å
145S97.9Very high98.6Very high56 Ų5635.7 Ų35.739%0.39222%0.215SC..THydrogen-bonded Turntrans-94.53.4177.7-54.40000113.4A141 L142 V143 C147A141-S145 VanDerWaalsContact O-CB 3.32Å; A141-S145 WeakPolarHBondContact O-CB 3.49Å; A141-S145 PolarHBondContact O-N 2.85Å; A141-S145 PolarHBondContact O-OG 3.41Å; L142-S145 CarbonylContact O-C 3.58Å; L142-S145 PolarHBondContact O-N 2.87Å; V143-S145 PolarHBondContact O-N 2.74Å; S145-C147 PolarHBondContact O-N 3.09Å; S145-C147 VanDerWaalsContact O-N 3.16Å; S145-C147 PolarHBondContact O-SG 3.33Å; S145-C147 VanDerWaalsContact O-SG 3.35Å
146G98Very high98.6Very high73 Ų7335.9 Ų35.975%0.75322%0.217SC*.THydrogen-bonded Turntrans59.223.8-174.700000114L142 V143L142-G146 PolarHBondContact O-N 2.87Å; L142-G146 VanDerWaalsContact O-N 3.14Å; V143-G146 PolarHBondContact O-N 2.58Å
147C98.2Very high98.5Very high50 Ų5032.3 Ų32.334%0.33820%0.2SC..  trans-96.8143.5-175.2-70.50000111P96 L142 S145P96-C147 HydrophobicContact CG-CB 4.23Å; L142-C147 HydrophobicContact CD2-CB 3.9Å; L142-C147 PolarHBondContact O-N 3.2Å; S145-C147 PolarHBondContact O-N 3.09Å; S145-C147 VanDerWaalsContact O-N 3.16Å; S145-C147 PolarHBondContact O-SG 3.33Å; S145-C147 VanDerWaalsContact O-SG 3.35Å
148R98.4Very high98.4Very high171 Ų17132 Ų3265%0.64520%0.197SC*.  trans-83.6163.6169.7-61.2-178.673.1146.2-1.8109.9G191R148-G191 WeakPolarHBondContact CB-O 3.31Å
149G98.6Very high98.3Very high11 Ų1132.5 Ų32.511%0.11320%0.203CC..EExtended strand (participates in β ladder)trans-174.4-178.9177.400000115.2S98 I192 R193S98-G149 CarbonylContact O-C 3.6Å; S98-G149 WeakPolarHBondContact O-CA 3.11Å; G149-I192 CarbonylContact O-C 3.57Å; G149-I192 WeakPolarHBondContact O-CA 3.36Å; G149-R193 PolarHBondContact O-N 3.28Å
150S98.9Very high98.2Very high2 Ų235.9 Ų35.91%0.01422%0.215CC..EExtended strand (participates in β ladder)trans-131.7120.7176-169.90000110S98 V99 V100 R193 L240S98-S150 PolarHBondContact O-N 3.14Å; V99-S150 WeakPolarHBondContact CA-O 3.26Å; V100-S150 PolarHBondContact N-O 3.42Å; S150-R193 WeakPolarHBondContact CA-O 3.46Å; S150-R193 PolarHBondContact OG-NH2 2.97Å; S150-L240 PolarHBondContact OG-O 3.3Å
151I98.9Very high98.1Very high0 Ų034.7 Ų34.70%021%0.214CC..EExtended strand (participates in β ladder)trans-102.4125.4173.7-56.3176.4000107.8V100 T135 A138 A139 L187 I192 R193 C194 N195V100-I151 CarbonylContact O-C 3.46Å; V100-I151 WeakPolarHBondContact O-CA 3.43Å; T135-I151 HydrophobicContact CG2-CD1 4.17Å; T135-I151 HydrophobicContact CG2-CG2 4.2Å; A138-I151 HydrophobicContact CB-CD1 4.19Å; A139-I151 HydrophobicContact CB-CD1 4.24Å; I151-L187 HydrophobicContact CD1-CD1 4.23Å; I151-I192 HydrophobicContact CD1-CG2 4.14Å; I151-I192 HydrophobicContact CG1-CG2 4.24Å; I151-R193 PolarHBondContact N-O 3.44Å; I151-C194 CarbonylContact O-C 3.56Å; I151-C194 VanDerWaalsContact O-CA 3.26Å; I151-C194 WeakPolarHBondContact O-CA 3.47Å; I151-N195 PolarHBondContact O-N 2.85Å
152I98.9Very high98Very high0 Ų035.6 Ų35.60%022%0.224CC..EExtended strand (participates in β ladder)trans-125.7115.1-172.5-54.6163.1000108.5V99 V100 V101 S102 N195 V197 V237 L240 A241V99-I152 HydrophobicContact CG1-CD1 4.45Å; V100-I152 PolarHBondContact O-N 3.44Å; V101-I152 VanDerWaalsContact CA-O 3.29Å; V101-I152 WeakPolarHBondContact CA-O 3.2Å; V101-I152 HydrophobicContact CG1-CB 4.37Å; V101-I152 HydrophobicContact CG1-CG2 4.48Å; V101-I152 HydrophobicContact CG2-CB 4.45Å; V101-I152 HydrophobicContact CG2-CD1 4.41Å; S102-I152 PolarHBondContact N-O 3.39Å; I152-N195 WeakPolarHBondContact CA-O 3.43Å; I152-V197 HydrophobicContact CG2-CG2 3.86Å; I152-V237 HydrophobicContact CD1-CG1 3.97Å; I152-V237 WeakPolarHBondContact CD1-O 3.38Å; I152-V237 HydrophobicContact CG2-CG1 4.44Å; I152-V237 HydrophobicContact CG2-CG2 4.18Å; I152-L240 HydrophobicContact CD1-CB 3.76Å; I152-L240 HydrophobicContact CG1-CB 4.06Å; I152-L240 HydrophobicContact CG2-CD1 4.26Å; I152-A241 HydrophobicContact CD1-CB 4Å
153N98.9Very high97.9Very high0 Ų038.6 Ų38.60%024%0.24CC..EExtended strand (participates in β ladder)trans-103.8125.3-176.9-64.5-34.2000110.5T131 S155 V176 T180 N195 S196 V197T131-N153 HydrophobicContact CG2-CB 4.05Å; T131-N153 WeakPolarHBondContact CG2-OD1 3.49Å; N153-S155 PolarHBondContact O-N 3.43Å; N153-V176 HydrophobicContact CB-CG1 3.64Å; N153-T180 PolarHBondContact ND2-OG1 2.86Å; N153-N195 PolarHBondContact N-O 2.96Å; N153-S196 VanDerWaalsContact O-CA 3.25Å; N153-S196 WeakPolarHBondContact O-CA 3.47Å; N153-V197 PolarHBondContact O-N 2.81Å
154I98.8Very high97.7Very high9 Ų943.2 Ų43.25%0.04626%0.26CS..EExtended strand (participates in β ladder)trans-83.8105.9176.5-52-53.8000109.1V101 S102 C103 K173 V197 P199 V237V101-I154 HydrophobicContact CG1-CD1 4.2Å; V101-I154 HydrophobicContact CG1-CG1 4.27Å; S102-I154 WeakPolarHBondContact O-CB 3.32Å; S102-I154 WeakPolarHBondContact O-CG1 3.33Å; S102-I154 PolarHBondContact O-N 2.9Å; S102-I154 VanDerWaalsContact O-N 3.08Å; C103-I154 HydrophobicContact CB-CG1 4.17Å; C103-I154 VanDerWaalsContact SG-CG1 3.52Å; I154-K173 PolarHBondContact O-NZ 3.29Å; I154-V197 HydrophobicContact CD1-CB 3.96Å; I154-V197 HydrophobicContact CD1-CG2 4.3Å; I154-P199 HydrophobicContact CG2-CG 4.08Å; I154-V237 HydrophobicContact CD1-CG2 3.78Å
155S98.5Very high97.5Very high2 Ų238.8 Ų38.81%0.01423%0.231CC..  trans-90.1-142.4171.1-171.60000110.1N153 K173 V197N153-S155 PolarHBondContact O-N 3.43Å; S155-K173 PolarHBondContact OG-O 3.02Å; S155-V197 WeakPolarHBondContact CA-O 3.33Å; S155-V197 PolarHBondContact N-O 3.23Å
156S97.8Very high97.5Very high11 Ų1137 Ų378%0.07722%0.217CC..  trans-160154172.4179.90000108.9T158 G159S156-T158 PolarHBondContact O-N 2.7Å; S156-T158 PolarHBondContact OG-N 2.95Å; S156-T158 PolarHBondContact OG-OG1 2.94Å; S156-G159 PolarHBondContact O-N 3.17Å
157I97.9Very high97.5Very high1 Ų135.9 Ų35.91%0.00520%0.195CC..THydrogen-bonded Turntrans-55.4-31.1170.8-168.956.4000112.3G159 K160 V161 P199 E254 T256 F260I157-G159 PolarHBondContact O-N 3.37Å; I157-K160 HydrophobicContact CD1-CB 4.43Å; I157-K160 HydrophobicContact CD1-CD 4.4Å; I157-K160 VanDerWaalsContact CD1-CE 3.5Å; I157-K160 WeakPolarHBondContact O-CB 3.42Å; I157-K160 PolarHBondContact O-N 3.47Å; I157-V161 PolarHBondContact O-N 3.48Å; I157-P199 PolarHBondContact N-O 2.93Å; I157-E254 HydrophobicContact CD1-CG 4.34Å; I157-T256 HydrophobicContact CB-CG2 3.87Å; I157-T256 HydrophobicContact CD1-CG2 3.83Å; I157-T256 HydrophobicContact CG1-CG2 3.82Å; I157-F260 HydrophobicContact CD1-CB 4.42Å; I157-F260 HydrophobicContact CG1-CB 3.98Å; I157-F260 HydrophobicContact CG1-CD2 4.36Å
158T95.6Very high97.6Very high5 Ų533.5 Ų33.53%0.03118%0.179CC..Hα-helixtrans-66.3-21.6177.766.50000112.2S156 K160 G162 N163 Y169S156-T158 PolarHBondContact O-N 2.7Å; S156-T158 PolarHBondContact OG-N 2.95Å; S156-T158 PolarHBondContact OG-OG1 2.94Å; T158-K160 PolarHBondContact O-N 3.31Å; T158-G162 VanDerWaalsContact O-CA 3.23Å; T158-G162 WeakPolarHBondContact O-CA 3.24Å; T158-G162 PolarHBondContact O-N 2.86Å; T158-N163 HydrophobicContact CG2-CB 3.68Å; T158-Y169 WeakPolarHBondContact OG1-CE1 3.23Å
159G96.3Very high97.6Very high11 Ų1126.5 Ų26.511%0.11315%0.153CC..Hα-helixtrans-66.5-19.2169.600000113.8S156 I157 A174S156-G159 PolarHBondContact O-N 3.17Å; I157-G159 PolarHBondContact O-N 3.37Å; G159-A174 WeakPolarHBondContact O-CB 3.5Å
160K97.4Very high97.6Very high81 Ų8127.3 Ų27.335%0.35216%0.156SC..Hα-helixtrans-91.9-40.6175.7-172.7-179.373.9-179.70112.2I157 T158 L198 E254 F260 M261I157-K160 HydrophobicContact CD1-CB 4.43Å; I157-K160 HydrophobicContact CD1-CD 4.4Å; I157-K160 VanDerWaalsContact CD1-CE 3.5Å; I157-K160 WeakPolarHBondContact O-CB 3.42Å; I157-K160 PolarHBondContact O-N 3.47Å; T158-K160 PolarHBondContact O-N 3.31Å; K160-L198 HydrophobicContact CB-CD2 4.42Å; K160-E254 VanDerWaalsContact CD-OE1 3.25Å; K160-E254 WeakPolarHBondContact CD-OE1 3.2Å; K160-E254 WeakPolarHBondContact CE-OE1 3.34Å; K160-E254 IonicContact NZ-OE1 3.96Å; K160-E254 PolarHBondContact NZ-OE1 3.1Å; K160-E254 IonicContact NZ-OE2 3.16Å; K160-E254 PolarHBondContact NZ-OE2 2.87Å; K160-F260 WeakPolarHBondContact CE-O 3.44Å; K160-F260 PolarHBondContact NZ-O 3.46Å; K160-M261 PolarHBondContact NZ-O 3.15Å
161V96.7Very high97.6Very high71 Ų7129 Ų2943%0.4317%0.17SC..Hα-helixtrans-119.5-6.1-165.9-570000114.9I157 F260I157-V161 PolarHBondContact O-N 3.48Å; V161-F260 HydrophobicContact CG1-CB 4.06Å; V161-F260 HydrophobicContact CG2-CB 3.92Å; V161-F260 HydrophobicContact CG2-CD2 3.65Å; V161-F260 HydrophobicContact CG2-CE2 4.34Å; V161-F260 HydrophobicContact CG2-CG 3.84Å
162G96.6Very high97.5Very high27 Ų2729 Ų2928%0.27817%0.17SC..  trans77.1172.7-170.600000113.2T158T158-G162 VanDerWaalsContact O-CA 3.23Å; T158-G162 WeakPolarHBondContact O-CA 3.24Å; T158-G162 PolarHBondContact O-N 2.86Å
163N95.8Very high97.5Very high65 Ų6529.4 Ų29.435%0.34817%0.172SC..  trans-158.9143.1170-171.426.2000109.2T158 G165 Q166 V170T158-N163 HydrophobicContact CG2-CB 3.68Å; N163-G165 PolarHBondContact O-N 3.48Å; N163-Q166 HydrophobicContact CB-CB 4.15Å; N163-Q166 HydrophobicContact CB-CG 4.39Å; N163-Q166 VanDerWaalsContact ND2-CD 3.34Å; N163-Q166 PolarHBondContact ND2-OE1 3.41Å; N163-Q166 PolarHBondContact O-N 2.78Å; N163-V170 HydrophobicContact CB-CG2 4.35Å
164M95.1Very high97.5Very high154 Ų15431.3 Ų31.376%0.75919%0.188SC*.THydrogen-bonded Turntrans-66.4135.5-178-170.5178.6-6700110.3F111 Q166F111-M164 HydrophobicContact CD1-CG 4.45Å; F111-M164 HydrophobicContact CE1-CG 3.74Å; F111-M164 HydrophobicContact CE1-SD 3.87Å; F111-M164 HydrophobicContact CZ-SD 4.46Å; M164-Q166 VanDerWaalsContact C-N 3.27Å; M164-Q166 PolarHBondContact O-N 2.68Å
165G95Very high97.5Very high14 Ų1432.1 Ų32.114%0.14420%0.198CC..THydrogen-bonded Turntrans78.44.6-178.200000114.9D109 E110 N163D109-G165 CarbonylContact C-O 3.49Å; D109-G165 VanDerWaalsContact CA-O 3.27Å; D109-G165 WeakPolarHBondContact CA-O 3.37Å; E110-G165 PolarHBondContact N-O 2.9Å; E110-G165 CarbonylContact O-C 3.36Å; E110-G165 WeakPolarHBondContact O-CA 3.39Å; N163-G165 PolarHBondContact O-N 3.48Å
166Q97.4Very high97.6Very high19 Ų1932 Ų329%0.08920%0.197CC..BIsolated β-bridgetrans-120.235.8-173.3-71-159.5-37.900113.3D109 N163 M164 N168 Y169 V170D109-Q166 PolarHBondContact OD1-NE2 3.03Å; D109-Q166 PolarHBondContact OD2-NE2 3.29Å; N163-Q166 HydrophobicContact CB-CB 4.15Å; N163-Q166 HydrophobicContact CB-CG 4.39Å; N163-Q166 VanDerWaalsContact ND2-CD 3.34Å; N163-Q166 PolarHBondContact ND2-OE1 3.41Å; N163-Q166 PolarHBondContact O-N 2.78Å; M164-Q166 VanDerWaalsContact C-N 3.27Å; M164-Q166 PolarHBondContact O-N 2.68Å; Q166-N168 PolarHBondContact O-N 3.28Å; Q166-Y169 PolarHBondContact O-N 2.83Å; Q166-V170 HydrophobicContact CB-CG2 3.96Å; Q166-V170 VanDerWaalsContact O-CB 3.24Å; Q166-V170 WeakPolarHBondContact O-CB 3.5Å; Q166-V170 WeakPolarHBondContact O-CG2 3.3Å; Q166-V170 PolarHBondContact O-N 3.38Å
167T98.6Very high97.6Very high50 Ų5032.5 Ų32.531%0.30720%0.199SC..Hα-helixtrans-53.5-49.2-176.1-500000112.6L112 W120 A171L112-T167 HydrophobicContact CD1-CG2 3.82Å; W120-T167 HydrophobicContact CZ3-CG2 4.12Å; T167-A171 VanDerWaalsContact O-CB 3.26Å; T167-A171 WeakPolarHBondContact O-CB 3.18Å; T167-A171 PolarHBondContact O-N 3.19Å; T167-A171 VanDerWaalsContact O-N 3.1Å
168N98.6Very high97.6Very high0 Ų033.9 Ų33.90%021%0.213CC..Hα-helixtrans-64.3-46.3176.554-1.5000112.6Q108 M115 D119 W120 V123 Q166 A171 S172Q108-N168 PolarHBondContact O-ND2 2.85Å; Q108-N168 PolarHBondContact O-OD1 3.25Å; M115-N168 HydrophobicContact CE-CB 4.13Å; M115-N168 HydrophobicContact SD-CB 3.83Å; D119-N168 PolarHBondContact O-ND2 3.47Å; W120-N168 HydrophobicContact CD2-CB 4.39Å; W120-N168 HydrophobicContact CE3-CB 3.71Å; W120-N168 HydrophobicContact CZ3-CB 4.28Å; V123-N168 HydrophobicContact CB-CB 4.03Å; V123-N168 HydrophobicContact CG1-CB 4.11Å; V123-N168 HydrophobicContact CG2-CB 4.5Å; V123-N168 WeakPolarHBondContact CG2-ND2 3.47Å; Q166-N168 PolarHBondContact O-N 3.28Å; N168-A171 PolarHBondContact O-N 2.91Å; N168-S172 WeakPolarHBondContact O-CB 3.27Å; N168-S172 PolarHBondContact O-N 2.98Å
169Y98.4Very high97.8Very high23 Ų2335.1 Ų35.19%0.0922%0.219CC..Hα-helixtrans-67-47.7-177.5-175.3-100000111.6I106 T107 V123 N127 T158 Q166 A171 S172 K173I106-Y169 WeakPolarHBondContact O-CD2 3.17Å; T107-Y169 HydrophobicContact CG2-CD2 3.73Å; T107-Y169 HydrophobicContact CG2-CE2 3.75Å; T107-Y169 HydrophobicContact CG2-CG 4.31Å; V123-Y169 HydrophobicContact CG1-CD2 4.48Å; N127-Y169 VanDerWaalsContact ND2-CD2 3.32Å; N127-Y169 WeakPolarHBondContact ND2-CD2 3.48Å; N127-Y169 WeakPolarHBondContact ND2-CE2 3.37Å; T158-Y169 WeakPolarHBondContact OG1-CE1 3.23Å; Q166-Y169 PolarHBondContact O-N 2.83Å; Y169-A171 PolarHBondContact O-N 3.12Å; Y169-S172 PolarHBondContact O-N 2.79Å; Y169-S172 PolarHBondContact O-OG 3.23Å; Y169-K173 HydrophobicContact CD1-CG 4.12Å; Y169-K173 HydrophobicContact CD2-CG 4.39Å; Y169-K173 HydrophobicContact CE1-CG 3.76Å; Y169-K173 HydrophobicContact CE2-CD 4.36Å; Y169-K173 HydrophobicContact CE2-CG 4.05Å; Y169-K173 HydrophobicContact CG-CG 4.42Å; Y169-K173 VanDerWaalsContact CZ-CE 3.5Å; Y169-K173 WeakPolarHBondContact O-CG 3.32Å; Y169-K173 PolarHBondContact O-N 2.85Å; Y169-K173 VanDerWaalsContact OH-CE 3.3Å; Y169-K173 WeakPolarHBondContact OH-CE 3.36Å
170V98.6Very high97.9Very high29 Ų2934.6 Ų34.618%0.17621%0.214CC..Hα-helixtrans-57.3-49.2174.9168.50000110.6N163 Q166 S172 K173 A174N163-V170 HydrophobicContact CB-CG2 4.35Å; Q166-V170 HydrophobicContact CB-CG2 3.96Å; Q166-V170 VanDerWaalsContact O-CB 3.24Å; Q166-V170 WeakPolarHBondContact O-CB 3.5Å; Q166-V170 WeakPolarHBondContact O-CG2 3.3Å; Q166-V170 PolarHBondContact O-N 3.38Å; V170-S172 VanDerWaalsContact C-N 3.29Å; V170-S172 PolarHBondContact O-N 2.85Å; V170-K173 PolarHBondContact O-N 3.11Å; V170-A174 VanDerWaalsContact O-CB 3.27Å; V170-A174 WeakPolarHBondContact O-CB 3.44Å; V170-A174 PolarHBondContact O-N 2.81Å
171A98.8Very high98Very high38 Ų3835.1 Ų35.131%0.31422%0.218SC..Hα-helixtrans-58.1-43.3177.300000111.5W120 I124 T167 N168 Y169 G175W120-A171 HydrophobicContact CH2-CB 3.63Å; W120-A171 HydrophobicContact CZ3-CB 4Å; I124-A171 HydrophobicContact CD1-CB 4.34Å; T167-A171 VanDerWaalsContact O-CB 3.26Å; T167-A171 WeakPolarHBondContact O-CB 3.18Å; T167-A171 PolarHBondContact O-N 3.19Å; T167-A171 VanDerWaalsContact O-N 3.1Å; N168-A171 PolarHBondContact O-N 2.91Å; Y169-A171 PolarHBondContact O-N 3.12Å; A171-G175 PolarHBondContact O-N 2.86Å
172S98.8Very high98.1Very high0 Ų035.3 Ų35.30%022%0.219CC..Hα-helixtrans-63-46.9177.580.90000112.6N127 N168 Y169 V170 G175 V176N127-S172 VanDerWaalsContact CB-OG 3.27Å; N127-S172 WeakPolarHBondContact CB-OG 3.36Å; N127-S172 PolarHBondContact ND2-OG 2.8Å; N168-S172 WeakPolarHBondContact O-CB 3.27Å; N168-S172 PolarHBondContact O-N 2.98Å; Y169-S172 PolarHBondContact O-N 2.79Å; Y169-S172 PolarHBondContact O-OG 3.23Å; V170-S172 VanDerWaalsContact C-N 3.29Å; V170-S172 PolarHBondContact O-N 2.85Å; S172-G175 PolarHBondContact O-N 3.27Å; S172-V176 WeakPolarHBondContact O-CG2 3.45Å; S172-V176 PolarHBondContact O-N 2.83Å
173K98.6Very high98.2Very high8 Ų834.6 Ų34.64%0.03521%0.211CC..Hα-helixtrans-74.5-34.8-175-66.1-56-169.9177.20112I154 S155 Y169 V170 V176 I177I154-K173 PolarHBondContact O-NZ 3.29Å; S155-K173 PolarHBondContact OG-O 3.02Å; Y169-K173 HydrophobicContact CD1-CG 4.12Å; Y169-K173 HydrophobicContact CD2-CG 4.39Å; Y169-K173 HydrophobicContact CE1-CG 3.76Å; Y169-K173 HydrophobicContact CE2-CD 4.36Å; Y169-K173 HydrophobicContact CE2-CG 4.05Å; Y169-K173 HydrophobicContact CG-CG 4.42Å; Y169-K173 VanDerWaalsContact CZ-CE 3.5Å; Y169-K173 WeakPolarHBondContact O-CG 3.32Å; Y169-K173 PolarHBondContact O-N 2.85Å; Y169-K173 VanDerWaalsContact OH-CE 3.3Å; Y169-K173 WeakPolarHBondContact OH-CE 3.36Å; V170-K173 PolarHBondContact O-N 3.11Å; K173-V176 PolarHBondContact O-N 3.02Å; K173-I177 PolarHBondContact O-N 3.26Å
174A98.8Very high98.4Very high40 Ų4031.9 Ų31.933%0.33120%0.197SC..Hα-helixtrans-62.3-44.7167.900000111.4G159 V170 V176 I177 G178G159-A174 WeakPolarHBondContact O-CB 3.5Å; V170-A174 VanDerWaalsContact O-CB 3.27Å; V170-A174 WeakPolarHBondContact O-CB 3.44Å; V170-A174 PolarHBondContact O-N 2.81Å; A174-V176 VanDerWaalsContact C-N 3.29Å; A174-V176 PolarHBondContact O-N 3.38Å; A174-I177 WeakPolarHBondContact O-CB 3.39Å; A174-I177 PolarHBondContact O-N 3.22Å; A174-I177 VanDerWaalsContact O-N 3.08Å; A174-G178 PolarHBondContact O-N 3.41Å
175G98.9Very high98.5Very high26 Ų2635.2 Ų35.227%0.26820%0.201SC..Hα-helixtrans-58.8-38.4175.800000113L128 A171 S172 I177 G178 L179L128-G175 VanDerWaalsContact CD1-C 3.42Å; A171-G175 PolarHBondContact O-N 2.86Å; S172-G175 PolarHBondContact O-N 3.27Å; G175-I177 VanDerWaalsContact C-N 3.29Å; G175-I177 PolarHBondContact O-N 3.09Å; G175-G178 PolarHBondContact O-N 3.4Å; G175-L179 VanDerWaalsContact O-CB 3.3Å; G175-L179 WeakPolarHBondContact O-CB 3.3Å; G175-L179 PolarHBondContact O-N 3.23Å
176V98.9Very high98.7Very high0 Ų040.5 Ų40.50%022%0.222CC..Hα-helixtrans-62.1-35.2175.5168.10000112N127 L128 T131 N153 S172 K173 A174 T180N127-V176 VanDerWaalsContact O-CG2 3.24Å; N127-V176 WeakPolarHBondContact O-CG2 3.38Å; L128-V176 HydrophobicContact CD1-CG2 4.09Å; T131-V176 HydrophobicContact CG2-CG1 4.21Å; T131-V176 HydrophobicContact CG2-CG2 4.18Å; N153-V176 HydrophobicContact CB-CG1 3.64Å; S172-V176 WeakPolarHBondContact O-CG2 3.45Å; S172-V176 PolarHBondContact O-N 2.83Å; K173-V176 PolarHBondContact O-N 3.02Å; A174-V176 VanDerWaalsContact C-N 3.29Å; A174-V176 PolarHBondContact O-N 3.38Å; V176-T180 WeakPolarHBondContact O-CB 3.38Å; V176-T180 PolarHBondContact O-N 2.84Å; V176-T180 PolarHBondContact O-OG1 3.16Å
177I98.9Very high98.8Very high21 Ų2140.5 Ų40.511%0.10822%0.223CC..Hα-helixtrans-65.6-50.5175.8-63164.9000110K173 A174 G175 L179 T180 Q181 L198 S252K173-I177 PolarHBondContact O-N 3.26Å; A174-I177 WeakPolarHBondContact O-CB 3.39Å; A174-I177 PolarHBondContact O-N 3.22Å; A174-I177 VanDerWaalsContact O-N 3.08Å; G175-I177 VanDerWaalsContact C-N 3.29Å; G175-I177 PolarHBondContact O-N 3.09Å; I177-L179 VanDerWaalsContact C-N 3.32Å; I177-L179 PolarHBondContact O-N 3.47Å; I177-T180 WeakPolarHBondContact O-CB 3.22Å; I177-T180 PolarHBondContact O-N 3.01Å; I177-T180 VanDerWaalsContact O-N 3.17Å; I177-Q181 WeakPolarHBondContact O-CG 3.42Å; I177-Q181 PolarHBondContact O-N 3.3Å; I177-L198 HydrophobicContact CD1-CD1 4.37Å; I177-L198 HydrophobicContact CD1-CD2 3.91Å; I177-L198 HydrophobicContact CD1-CG 4.33Å; I177-L198 HydrophobicContact CG1-CD1 4.31Å; I177-S252 WeakPolarHBondContact CG2-OG 3.49Å
178G98.9Very high98.8Very high30 Ų3039.9 Ų39.931%0.30923%0.226SC..Hα-helixtrans-62.3-38178.100000113.2A174 G175 Q181 T182A174-G178 PolarHBondContact O-N 3.41Å; G175-G178 PolarHBondContact O-N 3.4Å; G178-Q181 PolarHBondContact O-N 3.44Å; G178-T182 PolarHBondContact O-N 2.98Å; G178-T182 PolarHBondContact O-OG1 2.96Å
179L98.9Very high98.8Very high30 Ų3050.1 Ų50.116%0.15727%0.265CS..Hα-helixtrans-59.5-48.1172.7-179.9151000111.4T131 F132 T135 G175 I177 Q181 T182 A183T131-L179 HydrophobicContact CG2-CD2 4.49Å; F132-L179 HydrophobicContact CB-CD1 3.52Å; F132-L179 HydrophobicContact CD2-CD1 4.19Å; F132-L179 HydrophobicContact CG-CD1 4.35Å; T135-L179 HydrophobicContact CG2-CD2 4.23Å; G175-L179 VanDerWaalsContact O-CB 3.3Å; G175-L179 WeakPolarHBondContact O-CB 3.3Å; G175-L179 PolarHBondContact O-N 3.23Å; I177-L179 VanDerWaalsContact C-N 3.32Å; I177-L179 PolarHBondContact O-N 3.47Å; L179-Q181 PolarHBondContact O-N 3.29Å; L179-T182 PolarHBondContact O-N 3.15Å; L179-A183 WeakPolarHBondContact O-CB 3.25Å; L179-A183 PolarHBondContact O-N 3.21Å
180T98.9Very high98.8Very high0 Ų052.4 Ų52.40%028%0.276CS..Hα-helixtrans-61-46.2-179.6-61.40000111.1N153 V176 I177 T182 A183 A184 C194 N195N153-T180 PolarHBondContact ND2-OG1 2.86Å; V176-T180 WeakPolarHBondContact O-CB 3.38Å; V176-T180 PolarHBondContact O-N 2.84Å; V176-T180 PolarHBondContact O-OG1 3.16Å; I177-T180 WeakPolarHBondContact O-CB 3.22Å; I177-T180 PolarHBondContact O-N 3.01Å; I177-T180 VanDerWaalsContact O-N 3.17Å; T180-T182 VanDerWaalsContact C-N 3.33Å; T180-T182 PolarHBondContact O-N 3.41Å; T180-A183 PolarHBondContact O-N 3.18Å; T180-A184 VanDerWaalsContact O-CB 3.31Å; T180-A184 WeakPolarHBondContact O-CB 3.31Å; T180-A184 PolarHBondContact O-N 2.92Å; T180-C194 HydrophobicContact CG2-CB 4.45Å; T180-N195 VanDerWaalsContact CG2-CA 3.49Å
181Q98.9Very high98.8Very high92 Ų9251.9 Ų51.943%0.4328%0.276SS..Hα-helixtrans-61.6-41.6178.4-70.2168.4-800111.9I177 G178 L179 R185I177-Q181 WeakPolarHBondContact O-CG 3.42Å; I177-Q181 PolarHBondContact O-N 3.3Å; G178-Q181 PolarHBondContact O-N 3.44Å; L179-Q181 PolarHBondContact O-N 3.29Å; Q181-R185 WeakPolarHBondContact O-CG 3.43Å; Q181-R185 PolarHBondContact O-N 3.41Å
182T98.9Very high98.8Very high76 Ų7650.1 Ų50.147%0.46626%0.262SS..Hα-helixtrans-66.6-50.2177.9-57.50000110.9G178 L179 T180 A184 R185 E186G178-T182 PolarHBondContact O-N 2.98Å; G178-T182 PolarHBondContact O-OG1 2.96Å; L179-T182 PolarHBondContact O-N 3.15Å; T180-T182 VanDerWaalsContact C-N 3.33Å; T180-T182 PolarHBondContact O-N 3.41Å; T182-A184 VanDerWaalsContact C-N 3.28Å; T182-A184 PolarHBondContact O-N 3.1Å; T182-R185 PolarHBondContact O-N 3.34Å; T182-R185 VanDerWaalsContact O-N 3.1Å; T182-E186 PolarHBondContact O-N 3.14Å
183A98.9Very high98.8Very high12 Ų1251 Ų5110%0.09927%0.265CS..Hα-helixtrans-58.6-39.5177.500000112T135 L179 T180 R185 E186 L187 C194T135-A183 HydrophobicContact CG2-CB 4.35Å; L179-A183 WeakPolarHBondContact O-CB 3.25Å; L179-A183 PolarHBondContact O-N 3.21Å; T180-A183 PolarHBondContact O-N 3.18Å; A183-R185 VanDerWaalsContact C-N 3.32Å; A183-R185 PolarHBondContact O-N 3.37Å; A183-E186 PolarHBondContact O-N 3.4Å; A183-L187 HydrophobicContact CB-CD1 4.22Å; A183-L187 WeakPolarHBondContact O-CB 3.46Å; A183-L187 WeakPolarHBondContact O-CG 3.33Å; A183-L187 PolarHBondContact O-N 2.8Å; A183-C194 HydrophobicContact CB-CB 4.25Å
184A98.9Very high98.8Very high7 Ų750.6 Ų50.66%0.05826%0.263CS..Hα-helixtrans-59.5-40.3176.600000112.9T180 T182 G188 C194 T249 G250T180-A184 VanDerWaalsContact O-CB 3.31Å; T180-A184 WeakPolarHBondContact O-CB 3.31Å; T180-A184 PolarHBondContact O-N 2.92Å; T182-A184 VanDerWaalsContact C-N 3.28Å; T182-A184 PolarHBondContact O-N 3.1Å; A184-G188 PolarHBondContact O-N 3.4Å; A184-G188 VanDerWaalsContact O-N 3.1Å; A184-C194 HydrophobicContact CB-CB 4.12Å; A184-T249 WeakPolarHBondContact CB-OG1 3.38Å; A184-G250 VanDerWaalsContact CB-CA 3.44Å; A184-G250 VanDerWaalsContact CB-N 3.35Å
185R98.8Very high98.8Very high225 Ų22548.7 Ų48.785%0.84925%0.248SC*.Hα-helixtrans-68.1-40.1178.1-67.5-179.375.9-179.54.2112.1Q181 T182 A183Q181-R185 WeakPolarHBondContact O-CG 3.43Å; Q181-R185 PolarHBondContact O-N 3.41Å; T182-R185 PolarHBondContact O-N 3.34Å; T182-R185 VanDerWaalsContact O-N 3.1Å; A183-R185 VanDerWaalsContact C-N 3.32Å; A183-R185 PolarHBondContact O-N 3.37Å
186E98.8Very high98.8Very high124 Ų12447.4 Ų47.458%0.57924%0.235SC*.Hα-helixtrans-74.2-40.6-178.6-66.9178.2-169.900112.3T182 A183T182-E186 PolarHBondContact O-N 3.14Å; A183-E186 PolarHBondContact O-N 3.4Å
187L98.8Very high98.8Very high20 Ų2047.4 Ų47.411%0.10524%0.235CC..Hα-helixtrans-91.6-14.9-170.3-60.5176.9000113.8A139 I151 A183 R189 H190 I192A139-L187 HydrophobicContact CB-CD1 3.68Å; A139-L187 HydrophobicContact CB-CD2 3.87Å; A139-L187 HydrophobicContact CB-CG 4.45Å; I151-L187 HydrophobicContact CD1-CD1 4.23Å; A183-L187 HydrophobicContact CB-CD1 4.22Å; A183-L187 WeakPolarHBondContact O-CB 3.46Å; A183-L187 WeakPolarHBondContact O-CG 3.33Å; A183-L187 PolarHBondContact O-N 2.8Å; L187-R189 VanDerWaalsContact C-N 3.28Å; L187-R189 PolarHBondContact O-N 3.45Å; L187-H190 WeakPolarHBondContact O-CA 3.48Å; L187-H190 WeakPolarHBondContact O-CB 3.34Å; L187-H190 PolarHBondContact O-N 2.81Å; L187-I192 CarbonylContact C-O 3.52Å; L187-I192 HydrophobicContact CB-CB 4.04Å; L187-I192 HydrophobicContact CB-CG2 4.29Å; L187-I192 HydrophobicContact CD1-CG2 4.23Å; L187-I192 PolarHBondContact O-N 3.03Å
188G98.6Very high98.8Very high37 Ų3746.6 Ų46.638%0.38123%0.23SC..G310 helixtrans-55.6-39.8-178.900000113.7A184 H190 G191A184-G188 PolarHBondContact O-N 3.4Å; A184-G188 VanDerWaalsContact O-N 3.1Å; G188-H190 PolarHBondContact O-N 3.27Å; G188-G191 PolarHBondContact O-N 2.97Å
189R98.3Very high98.8Very high214 Ų21445.5 Ų45.581%0.80822%0.218SC*.G310 helixtrans-64.2-20.2176.172.4179.1-176.8179.8-2.9113.9L187 G191L187-R189 VanDerWaalsContact C-N 3.28Å; L187-R189 PolarHBondContact O-N 3.45Å; R189-G191 VanDerWaalsContact C-N 3.32Å
190H98.6Very high98.7Very high72 Ų7244.6 Ų44.633%0.33322%0.216SC..G310 helixtrans-91.74.2176.9-60.9-74.7000112.2V143 L187 G188 I192V143-H190 HydrophobicContact CG2-CB 4.04Å; L187-H190 WeakPolarHBondContact O-CA 3.48Å; L187-H190 WeakPolarHBondContact O-CB 3.34Å; L187-H190 PolarHBondContact O-N 2.81Å; G188-H190 PolarHBondContact O-N 3.27Å; H190-I192 HydrophobicContact CB-CD1 4.07Å; H190-I192 HydrophobicContact CB-CG1 4.32Å; H190-I192 PolarHBondContact O-N 3.47Å
191G98.5Very high98.5Very high17 Ų1746.6 Ų46.618%0.17523%0.225CC..THydrogen-bonded Turntrans69.523.1-177.300000113.3R148 G188 R189R148-G191 WeakPolarHBondContact CB-O 3.31Å; G188-G191 PolarHBondContact O-N 2.97Å; R189-G191 VanDerWaalsContact C-N 3.32Å
192I98.9Very high98.4Very high1 Ų142.5 Ų42.51%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-106.6125.1177.5-58.1165.3000108.4L142 V143 G149 I151 L187 H190L142-I192 HydrophobicContact CB-CD1 3.61Å; L142-I192 HydrophobicContact CB-CG1 4.27Å; L142-I192 HydrophobicContact CD1-CD1 4.11Å; L142-I192 HydrophobicContact CD1-CG1 4.19Å; L142-I192 HydrophobicContact CD1-CG2 4.12Å; V143-I192 HydrophobicContact CG2-CD1 3.74Å; G149-I192 CarbonylContact O-C 3.57Å; G149-I192 WeakPolarHBondContact O-CA 3.36Å; I151-I192 HydrophobicContact CD1-CG2 4.14Å; I151-I192 HydrophobicContact CG1-CG2 4.24Å; L187-I192 CarbonylContact C-O 3.52Å; L187-I192 HydrophobicContact CB-CB 4.04Å; L187-I192 HydrophobicContact CB-CG2 4.29Å; L187-I192 HydrophobicContact CD1-CG2 4.23Å; L187-I192 PolarHBondContact O-N 3.03Å; H190-I192 HydrophobicContact CB-CD1 4.07Å; H190-I192 HydrophobicContact CB-CG1 4.32Å; H190-I192 PolarHBondContact O-N 3.47Å
193R98.9Very high98.2Very high18 Ų1840.9 Ų40.97%0.06820%0.2CC..EExtended strand (participates in β ladder)trans-92.2145.4176.8-59-178.1-62.2109.9-1.4109.7G149 S150 I151 L240 S242 S245 G246 I248 T249G149-R193 PolarHBondContact O-N 3.28Å; S150-R193 WeakPolarHBondContact CA-O 3.46Å; S150-R193 PolarHBondContact OG-NH2 2.97Å; I151-R193 PolarHBondContact N-O 3.44Å; R193-L240 PolarHBondContact NH1-O 3.25Å; R193-L240 VanDerWaalsContact NH1-O 3.08Å; R193-L240 PolarHBondContact NH2-O 3.08Å; R193-S242 PolarHBondContact NH2-O 3.05Å; R193-S245 PolarHBondContact NH1-O 3.02Å; R193-S245 PolarHBondContact NH1-OG 3.04Å; R193-S245 PolarHBondContact NH2-OG 2.76Å; R193-G246 WeakPolarHBondContact CD-O 3.5Å; R193-I248 WeakPolarHBondContact CD-O 3.26Å; R193-I248 PolarHBondContact NH1-O 3Å; R193-T249 WeakPolarHBondContact CA-OG1 3.5Å
194C98.9Very high97.9Very high0 Ų041 Ų410%020%0.2CC..EExtended strand (participates in β ladder)trans-133.8117.5173.5-1670000109.5I151 T180 A183 A184 T249 G250I151-C194 CarbonylContact O-C 3.56Å; I151-C194 VanDerWaalsContact O-CA 3.26Å; I151-C194 WeakPolarHBondContact O-CA 3.47Å; T180-C194 HydrophobicContact CG2-CB 4.45Å; A183-C194 HydrophobicContact CB-CB 4.25Å; A184-C194 HydrophobicContact CB-CB 4.12Å; C194-T249 PolarHBondContact N-OG1 3.14Å; C194-G250 WeakPolarHBondContact O-CA 3.38Å; C194-G250 PolarHBondContact O-N 2.86Å
195N98.9Very high97.4Very high0 Ų043.5 Ų43.50%022%0.215CC..EExtended strand (participates in β ladder)trans-131.9159.9-177.1-65.6-68000111.1I151 I152 N153 T180 L240 I248 T249 G250 A251I151-N195 PolarHBondContact O-N 2.85Å; I152-N195 WeakPolarHBondContact CA-O 3.43Å; N153-N195 PolarHBondContact N-O 2.96Å; T180-N195 VanDerWaalsContact CG2-CA 3.49Å; N195-L240 HydrophobicContact CB-CD1 4.03Å; N195-L240 HydrophobicContact CB-CD2 4.29Å; N195-I248 PolarHBondContact ND2-O 3.39Å; N195-T249 WeakPolarHBondContact OD1-CA 3.47Å; N195-T249 PolarHBondContact OD1-N 3.5Å; N195-G250 PolarHBondContact OD1-N 3.45Å; N195-A251 PolarHBondContact OD1-N 3.28Å; N195-A251 VanDerWaalsContact OD1-N 3.11Å
196S98.9Very high96.6Very high0 Ų036.5 Ų36.50%019%0.193CC..EExtended strand (participates in β ladder)trans-118.9141.4177.6550000110.4N153 A251 S252 V253N153-S196 VanDerWaalsContact O-CA 3.25Å; N153-S196 WeakPolarHBondContact O-CA 3.47Å; S196-A251 PolarHBondContact N-O 3.47Å; S196-A251 PolarHBondContact OG-O 3.44Å; S196-S252 WeakPolarHBondContact O-CA 3.35Å; S196-S252 VanDerWaalsContact OG-CA 3.3Å; S196-S252 WeakPolarHBondContact OG-CA 3.44Å; S196-S252 WeakPolarHBondContact OG-CB 3.42Å; S196-S252 PolarHBondContact OG-OG 3.46Å; S196-V253 PolarHBondContact O-N 2.98Å
197V98.9Very high95.9Very high0 Ų031.7 Ų31.70%017%0.172CC..EExtended strand (participates in β ladder)trans-111.4132.5172.4-1760000107.7I152 N153 I154 S155 P199 V233 V236 V237 L240 V253 V255I152-V197 HydrophobicContact CG2-CG2 3.86Å; N153-V197 PolarHBondContact O-N 2.81Å; I154-V197 HydrophobicContact CD1-CB 3.96Å; I154-V197 HydrophobicContact CD1-CG2 4.3Å; S155-V197 WeakPolarHBondContact CA-O 3.33Å; S155-V197 PolarHBondContact N-O 3.23Å; V197-P199 HydrophobicContact CG1-CG 4.48Å; V197-P199 VanDerWaalsContact O-CD 3.3Å; V197-P199 WeakPolarHBondContact O-CD 3.36Å; V197-V233 HydrophobicContact CG1-CG1 3.98Å; V197-V236 HydrophobicContact CG1-CG1 4.19Å; V197-V236 HydrophobicContact CG2-CG1 4Å; V197-V237 HydrophobicContact CG2-CG2 4.16Å; V197-L240 HydrophobicContact CG2-CD1 3.56Å; V197-V253 CarbonylContact C-O 3.59Å; V197-V253 WeakPolarHBondContact CA-O 3.14Å; V197-V255 HydrophobicContact CG1-CG2 3.72Å
198L98.7Very high95.3Very high3 Ų337.9 Ų37.92%0.01620%0.201CC..EExtended strand (participates in β ladder)trans-116.685.9-176.5-78.665.8000108.9K160 I177 V253 E254 V255K160-L198 HydrophobicContact CB-CD2 4.42Å; I177-L198 HydrophobicContact CD1-CD1 4.37Å; I177-L198 HydrophobicContact CD1-CD2 3.91Å; I177-L198 HydrophobicContact CD1-CG 4.33Å; I177-L198 HydrophobicContact CG1-CD1 4.31Å; L198-V253 PolarHBondContact N-O 2.83Å; L198-E254 HydrophobicContact CB-CG 4.17Å; L198-E254 HydrophobicContact CD2-CG 4.31Å; L198-V255 PolarHBondContact O-N 3.29Å
199P98.4Very high94.7Very high7 Ų744.7 Ų44.75%0.04522%0.22CC..EExtended strand (participates in β ladder)trans-65.7147.8173.2-19.332.5000111.9I23 I154 I157 V197 I202 V233 V255I23-P199 HydrophobicContact CD1-CG 4.19Å; I154-P199 HydrophobicContact CG2-CG 4.08Å; I157-P199 PolarHBondContact N-O 2.93Å; V197-P199 HydrophobicContact CG1-CG 4.48Å; V197-P199 VanDerWaalsContact O-CD 3.3Å; V197-P199 WeakPolarHBondContact O-CD 3.36Å; P199-I202 HydrophobicContact CB-CD1 4.13Å; P199-I202 HydrophobicContact CB-CG1 3.67Å; P199-V233 HydrophobicContact CB-CG2 3.88Å; P199-V233 HydrophobicContact CG-CG1 3.87Å; P199-V233 HydrophobicContact CG-CG2 3.87Å; P199-V255 CarbonylContact C-O 3.35Å; P199-V255 WeakPolarHBondContact CA-O 3.34Å
200G96.7Very high94.1Very high12 Ų1236.5 Ų36.512%0.12419%0.194CC..  trans-77-138.7161.600000111.5V255G200-V255 PolarHBondContact N-O 3.5Å
201F95.2Very high93.7Very high41 Ų4137.3 Ų37.318%0.1821%0.205CC..SBendtrans-86.1115.1172.3-82.2-94.6000110.5T207 I218 I222 L227 G228 L259F201-T207 HydrophobicContact CD1-CG2 4.13Å; F201-I218 HydrophobicContact CB-CG2 3.87Å; F201-I218 HydrophobicContact CD1-CD1 3.88Å; F201-I218 HydrophobicContact CD1-CG2 4.15Å; F201-I218 HydrophobicContact CD2-CD1 4.34Å; F201-I218 HydrophobicContact CD2-CG2 3.43Å; F201-I218 VanDerWaalsContact CD2-CG2 3.43Å; F201-I218 HydrophobicContact CE1-CD1 3.44Å; F201-I218 VanDerWaalsContact CE1-CD1 3.44Å; F201-I218 HydrophobicContact CE2-CD1 3.93Å; F201-I218 HydrophobicContact CE2-CG1 4.22Å; F201-I218 HydrophobicContact CE2-CG2 3.94Å; F201-I218 HydrophobicContact CG-CD1 4.31Å; F201-I218 HydrophobicContact CG-CG2 3.54Å; F201-I218 HydrophobicContact CZ-CD1 3.46Å; F201-I218 VanDerWaalsContact CZ-CD1 3.46Å; F201-I218 HydrophobicContact CZ-CG1 4.22Å; F201-I218 HydrophobicContact CZ-CG2 4.5Å; F201-I222 HydrophobicContact CB-CD1 4.48Å; F201-L227 HydrophobicContact CB-CG 4.17Å; F201-G228 PolarHBondContact O-N 3.04Å; F201-L259 HydrophobicContact CD2-CD2 3.63Å; F201-L259 HydrophobicContact CE2-CD2 4.17Å
202I97.3Very high93.4Very high7 Ų742.4 Ų42.44%0.03622%0.224CC..BIsolated β-bridgetrans-111.2135.4-177.3-52.2-58.5000110I23 P199 T204 T207 G228 D229 P230 V233I23-I202 HydrophobicContact CD1-CB 4.47Å; I23-I202 HydrophobicContact CD1-CG1 4.31Å; I23-I202 HydrophobicContact CD1-CG2 4.48Å; I23-I202 HydrophobicContact CG1-CG2 4.3Å; P199-I202 HydrophobicContact CB-CD1 4.13Å; P199-I202 HydrophobicContact CB-CG1 3.67Å; I202-T204 HydrophobicContact CB-CG2 4.27Å; I202-T204 HydrophobicContact CG2-CG2 3.86Å; I202-T204 PolarHBondContact O-N 3.12Å; I202-T204 PolarHBondContact O-OG1 2.75Å; I202-T207 WeakPolarHBondContact O-CB 3.43Å; I202-T207 WeakPolarHBondContact O-CG2 3.36Å; I202-T207 PolarHBondContact O-OG1 3.3Å; I202-G228 CarbonylContact C-O 3.49Å; I202-G228 WeakPolarHBondContact CA-O 3.43Å; I202-G228 WeakPolarHBondContact CG2-O 3.32Å; I202-D229 VanDerWaalsContact CG2-C 3.47Å; I202-P230 HydrophobicContact CG2-CB 4.48Å; I202-P230 HydrophobicContact CG2-CG 4.11Å; I202-V233 HydrophobicContact CD1-CG2 3.75Å; I202-V233 HydrophobicContact CG1-CG2 3.84Å
203A94.8Very high93.1Very high42 Ų4250.5 Ų50.535%0.34726%0.259SS..  trans-66.494.1177.400000110.9G228 P230A203-G228 PolarHBondContact N-O 2.87Å; A203-P230 WeakPolarHBondContact O-CD 3.46Å; A203-P230 VanDerWaalsContact O-CG 3.28Å; A203-P230 WeakPolarHBondContact O-CG 3.44Å
204T91.6Very high92.7Very high14 Ų1452.8 Ų52.89%0.08628%0.275CS..SBendtrans-139.9166.5-176.658.70000110.2I23 I202 M206 T207 Q208 P230I23-T204 HydrophobicContact CG1-CG2 4.19Å; I202-T204 HydrophobicContact CB-CG2 4.27Å; I202-T204 HydrophobicContact CG2-CG2 3.86Å; I202-T204 PolarHBondContact O-N 3.12Å; I202-T204 PolarHBondContact O-OG1 2.75Å; T204-M206 PolarHBondContact O-N 2.86Å; T204-M206 PolarHBondContact OG1-N 3.26Å; T204-T207 PolarHBondContact N-OG1 3.05Å; T204-T207 PolarHBondContact O-N 3.43Å; T204-T207 PolarHBondContact O-OG1 3.3Å; T204-T207 VanDerWaalsContact O-OG1 3.05Å; T204-Q208 WeakPolarHBondContact O-CG 3.24Å; T204-Q208 PolarHBondContact O-N 3.34Å; T204-P230 HydrophobicContact CG2-CG 3.97Å
205P89Confident92.3Very high59 Ų5953.9 Ų53.938%0.38328%0.282SS..THydrogen-bonded Turntrans-56.2-22.6171.5-29.739.6000114.3S21S21-P205 WeakPolarHBondContact OG-CG 3.31Å
206M82.8Confident92.1Very high79 Ų7957.3 Ų57.339%0.38930%0.3SS..THydrogen-bonded Turntrans-68.9-45.7173.8-174.9-179.7-7400111.6T107 T204T107-M206 HydrophobicContact CG2-CE 4.37Å; T107-M206 HydrophobicContact CG2-CG 4.49Å; T107-M206 HydrophobicContact CG2-SD 3.87Å; T204-M206 PolarHBondContact O-N 2.86Å; T204-M206 PolarHBondContact OG1-N 3.26Å
207T84Confident91.8Very high22 Ų2264 Ų6414%0.13533%0.33CS..G310 helixtrans-79.7-20.8-179.650.90000113.3F201 I202 T204 K209 V210F201-T207 HydrophobicContact CD1-CG2 4.13Å; I202-T207 WeakPolarHBondContact O-CB 3.43Å; I202-T207 WeakPolarHBondContact O-CG2 3.36Å; I202-T207 PolarHBondContact O-OG1 3.3Å; T204-T207 PolarHBondContact N-OG1 3.05Å; T204-T207 PolarHBondContact O-N 3.43Å; T204-T207 PolarHBondContact O-OG1 3.3Å; T204-T207 VanDerWaalsContact O-OG1 3.05Å; T207-K209 PolarHBondContact O-N 3.24Å; T207-K209 VanDerWaalsContact O-N 3.12Å; T207-V210 VanDerWaalsContact O-CB 3.27Å; T207-V210 WeakPolarHBondContact O-CB 3.42Å; T207-V210 WeakPolarHBondContact O-CG2 3.45Å; T207-V210 PolarHBondContact O-N 3.11Å
208Q85.2Confident91.5Very high150 Ų15065 Ų6570%0.70133%0.334SS*.G310 helixtrans-60.9-18.3172.5-74.3173700113.9T204 V210T204-Q208 WeakPolarHBondContact O-CG 3.24Å; T204-Q208 PolarHBondContact O-N 3.34Å; Q208-V210 VanDerWaalsContact C-N 3.3Å
209K85.8Confident91.3Very high180 Ų18066.3 Ų66.378%0.78334%0.343SS*.G310 helixtrans-80-11.9174.9-61.1-179.8-177.1179.60113.1T207T207-K209 PolarHBondContact O-N 3.24Å; T207-K209 VanDerWaalsContact O-N 3.12Å
210V85.3Confident91.3Very high43 Ų4373.9 Ų73.926%0.26138%0.378SS..SBendtrans-79.7133.8-179.2-179.30000109.4T207 Q208 Q212 V214 V215T207-V210 VanDerWaalsContact O-CB 3.27Å; T207-V210 WeakPolarHBondContact O-CB 3.42Å; T207-V210 WeakPolarHBondContact O-CG2 3.45Å; T207-V210 PolarHBondContact O-N 3.11Å; Q208-V210 VanDerWaalsContact C-N 3.3Å; V210-Q212 PolarHBondContact O-N 3.05Å; V210-V214 HydrophobicContact CG1-CB 3.74Å; V210-V214 HydrophobicContact CG1-CG1 3.66Å; V210-V215 HydrophobicContact CB-CG2 4.03Å; V210-V215 HydrophobicContact CG1-CG2 3.91Å
211P90.9Very high91.2Very high88 Ų8878.4 Ų78.457%0.57140%0.397SS*.  trans-57.7138.5177.8-25.534.3000112.5K213 V214 V215P211-K213 VanDerWaalsContact C-N 3.26Å; P211-K213 PolarHBondContact O-N 2.97Å; P211-K213 VanDerWaalsContact O-N 3.12Å; P211-V214 HydrophobicContact CB-CG2 4.32Å; P211-V214 WeakPolarHBondContact O-CA 3.37Å; P211-V214 WeakPolarHBondContact O-CB 3.47Å; P211-V214 PolarHBondContact O-N 3.35Å; P211-V215 PolarHBondContact O-N 3.17Å; P211-V215 VanDerWaalsContact O-N 3.14Å
212Q91.7Very high91.4Very high124 Ų12476.7 Ų76.758%0.57939%0.389SS*.Hα-helixtrans-52.1-41.9-176.1-17161.546.500113.3V210 V214 V215 D216V210-Q212 PolarHBondContact O-N 3.05Å; Q212-V214 PolarHBondContact O-N 3.04Å; Q212-V214 VanDerWaalsContact O-N 3.15Å; Q212-V215 CarbonylContact O-C 3.58Å; Q212-V215 WeakPolarHBondContact O-CA 3.36Å; Q212-V215 WeakPolarHBondContact O-CB 3.27Å; Q212-V215 PolarHBondContact O-N 3.36Å; Q212-D216 PolarHBondContact NE2-OD1 3.2Å; Q212-D216 PolarHBondContact O-N 3.02Å
213K92.6Very high91.4Very high171 Ų17181 Ų8174%0.74342%0.418SS*.Hα-helixtrans-59-29.3177.3-67.6-175.8178.3-179.60113.8P211 K217P211-K213 VanDerWaalsContact C-N 3.26Å; P211-K213 PolarHBondContact O-N 2.97Å; P211-K213 VanDerWaalsContact O-N 3.12Å; K213-K217 WeakPolarHBondContact O-CG 3.3Å; K213-K217 PolarHBondContact O-N 3.43Å
214V90.5Very high91.6Very high66 Ų6684.4 Ų84.440%0.443%0.428SS..Hα-helixtrans-79.8-41176.1178.20000109.4V210 P211 Q212 D216 K217 I218V210-V214 HydrophobicContact CG1-CB 3.74Å; V210-V214 HydrophobicContact CG1-CG1 3.66Å; P211-V214 HydrophobicContact CB-CG2 4.32Å; P211-V214 WeakPolarHBondContact O-CA 3.37Å; P211-V214 WeakPolarHBondContact O-CB 3.47Å; P211-V214 PolarHBondContact O-N 3.35Å; Q212-V214 PolarHBondContact O-N 3.04Å; Q212-V214 VanDerWaalsContact O-N 3.15Å; V214-D216 VanDerWaalsContact C-N 3.35Å; V214-D216 PolarHBondContact O-N 3.27Å; V214-K217 PolarHBondContact O-N 3.42Å; V214-I218 HydrophobicContact CG1-CD1 3.74Å; V214-I218 HydrophobicContact CG1-CG1 4.43Å; V214-I218 WeakPolarHBondContact O-CB 3.3Å; V214-I218 WeakPolarHBondContact O-CD1 3.24Å; V214-I218 VanDerWaalsContact O-CG1 3.26Å; V214-I218 WeakPolarHBondContact O-CG1 3.43Å; V214-I218 PolarHBondContact O-N 3.31Å
215V91.6Very high91.8Very high23 Ų2385.9 Ų85.914%0.13945%0.446CS..Hα-helixtrans-58.1-45.2173.4178.80000111.5V210 P211 Q212 K217 I218 T219 L227V210-V215 HydrophobicContact CB-CG2 4.03Å; V210-V215 HydrophobicContact CG1-CG2 3.91Å; P211-V215 PolarHBondContact O-N 3.17Å; P211-V215 VanDerWaalsContact O-N 3.14Å; Q212-V215 CarbonylContact O-C 3.58Å; Q212-V215 WeakPolarHBondContact O-CA 3.36Å; Q212-V215 WeakPolarHBondContact O-CB 3.27Å; Q212-V215 PolarHBondContact O-N 3.36Å; V215-K217 PolarHBondContact O-N 3.02Å; V215-I218 PolarHBondContact O-N 3.01Å; V215-T219 WeakPolarHBondContact O-CB 3.35Å; V215-T219 PolarHBondContact O-N 3.11Å; V215-T219 PolarHBondContact O-OG1 3.18Å; V215-L227 HydrophobicContact CG1-CD1 3.91Å; V215-L227 HydrophobicContact CG1-CD2 4.06Å
216D93.3Very high92.2Very high73 Ų7389.1 Ų89.139%0.3945%0.451SS..Hα-helixtrans-60.5-47178.7-59.2-25000110.9Q212 V214 I218 T219 E220Q212-D216 PolarHBondContact NE2-OD1 3.2Å; Q212-D216 PolarHBondContact O-N 3.02Å; V214-D216 VanDerWaalsContact C-N 3.35Å; V214-D216 PolarHBondContact O-N 3.27Å; D216-I218 PolarHBondContact O-N 3.15Å; D216-T219 WeakPolarHBondContact O-CB 3.41Å; D216-T219 PolarHBondContact O-N 3Å; D216-T219 VanDerWaalsContact O-N 3.14Å; D216-E220 WeakPolarHBondContact O-CG 3.22Å; D216-E220 PolarHBondContact O-N 3.04Å
217K93.7Very high92.9Very high141 Ų14186.9 Ų86.961%0.61344%0.441SS*.Hα-helixtrans-62-41.9176.4-75.1-179.8177.4-171.30112.9K213 V214 V215 T219 E220 M221K213-K217 WeakPolarHBondContact O-CG 3.3Å; K213-K217 PolarHBondContact O-N 3.43Å; V214-K217 PolarHBondContact O-N 3.42Å; V215-K217 PolarHBondContact O-N 3.02Å; K217-T219 VanDerWaalsContact C-N 3.28Å; K217-T219 PolarHBondContact O-N 2.79Å; K217-E220 PolarHBondContact O-N 2.95Å; K217-M221 WeakPolarHBondContact O-CG 3.35Å; K217-M221 PolarHBondContact O-N 3.4Å
218I92.7Very high93.5Very high19 Ų1986.5 Ų86.510%0.09744%0.441CS..Hα-helixtrans-62.4-42.4175.6-72.5160.8000109.6F201 V214 V215 D216 E220 M221 I222 L259F201-I218 HydrophobicContact CB-CG2 3.87Å; F201-I218 HydrophobicContact CD1-CD1 3.88Å; F201-I218 HydrophobicContact CD1-CG2 4.15Å; F201-I218 HydrophobicContact CD2-CD1 4.34Å; F201-I218 HydrophobicContact CD2-CG2 3.43Å; F201-I218 VanDerWaalsContact CD2-CG2 3.43Å; F201-I218 HydrophobicContact CE1-CD1 3.44Å; F201-I218 VanDerWaalsContact CE1-CD1 3.44Å; F201-I218 HydrophobicContact CE2-CD1 3.93Å; F201-I218 HydrophobicContact CE2-CG1 4.22Å; F201-I218 HydrophobicContact CE2-CG2 3.94Å; F201-I218 HydrophobicContact CG-CD1 4.31Å; F201-I218 HydrophobicContact CG-CG2 3.54Å; F201-I218 HydrophobicContact CZ-CD1 3.46Å; F201-I218 VanDerWaalsContact CZ-CD1 3.46Å; F201-I218 HydrophobicContact CZ-CG1 4.22Å; F201-I218 HydrophobicContact CZ-CG2 4.5Å; V214-I218 HydrophobicContact CG1-CD1 3.74Å; V214-I218 HydrophobicContact CG1-CG1 4.43Å; V214-I218 WeakPolarHBondContact O-CB 3.3Å; V214-I218 WeakPolarHBondContact O-CD1 3.24Å; V214-I218 VanDerWaalsContact O-CG1 3.26Å; V214-I218 WeakPolarHBondContact O-CG1 3.43Å; V214-I218 PolarHBondContact O-N 3.31Å; V215-I218 PolarHBondContact O-N 3.01Å; D216-I218 PolarHBondContact O-N 3.15Å; I218-E220 VanDerWaalsContact C-N 3.32Å; I218-E220 PolarHBondContact O-N 3.22Å; I218-M221 WeakPolarHBondContact O-CA 3.35Å; I218-M221 WeakPolarHBondContact O-CB 3.42Å; I218-M221 PolarHBondContact O-N 3.3Å; I218-I222 HydrophobicContact CG2-CD1 4Å; I218-I222 HydrophobicContact CG2-CG1 4.41Å; I218-I222 WeakPolarHBondContact O-CG1 3.38Å; I218-I222 PolarHBondContact O-N 3.16Å; I218-L259 HydrophobicContact CG2-CD2 4.47Å
219T95.1Very high94.2Very high32 Ų3283.2 Ų83.220%0.19643%0.428CS..Hα-helixtrans-60.3-42.5178.9-55.40000111.5V215 D216 K217 M221 I222 G225 L227V215-T219 WeakPolarHBondContact O-CB 3.35Å; V215-T219 PolarHBondContact O-N 3.11Å; V215-T219 PolarHBondContact O-OG1 3.18Å; D216-T219 WeakPolarHBondContact O-CB 3.41Å; D216-T219 PolarHBondContact O-N 3Å; D216-T219 VanDerWaalsContact O-N 3.14Å; K217-T219 VanDerWaalsContact C-N 3.28Å; K217-T219 PolarHBondContact O-N 2.79Å; T219-M221 PolarHBondContact O-N 3.14Å; T219-I222 PolarHBondContact O-N 3.42Å; T219-G225 WeakPolarHBondContact CG2-O 3.38Å; T219-L227 WeakPolarHBondContact OG1-CD1 3.49Å
220E96.7Very high94.8Very high166 Ų16675.5 Ų75.578%0.77640%0.396SS*.Hα-helixtrans-63-29.1173.8-70173.8-179.900113.2D216 K217 I218D216-E220 WeakPolarHBondContact O-CG 3.22Å; D216-E220 PolarHBondContact O-N 3.04Å; K217-E220 PolarHBondContact O-N 2.95Å; I218-E220 VanDerWaalsContact C-N 3.32Å; I218-E220 PolarHBondContact O-N 3.22Å
221M96.1Very high95.4Very high106 Ų10678.6 Ų78.652%0.52241%0.408SS..Hα-helixtrans-81.3-21.1176.5-68.4177.662.700113.4K217 I218 T219 P223 L259 F260K217-M221 WeakPolarHBondContact O-CG 3.35Å; K217-M221 PolarHBondContact O-N 3.4Å; I218-M221 WeakPolarHBondContact O-CA 3.35Å; I218-M221 WeakPolarHBondContact O-CB 3.42Å; I218-M221 PolarHBondContact O-N 3.3Å; T219-M221 PolarHBondContact O-N 3.14Å; M221-P223 WeakPolarHBondContact O-CD 3.48Å; M221-L259 HydrophobicContact CB-CD1 3.74Å; M221-F260 HydrophobicContact CE-CE1 3.59Å; M221-F260 HydrophobicContact CE-CZ 3.57Å
222I97.9Very high95.7Very high5 Ų577.6 Ų77.63%0.02640%0.398CS..SBendtrans-77.2120.5176.3-64.2163.6000108F201 I218 T219 M224 G225 Y226 L227 L259F201-I222 HydrophobicContact CB-CD1 4.48Å; I218-I222 HydrophobicContact CG2-CD1 4Å; I218-I222 HydrophobicContact CG2-CG1 4.41Å; I218-I222 WeakPolarHBondContact O-CG1 3.38Å; I218-I222 PolarHBondContact O-N 3.16Å; T219-I222 PolarHBondContact O-N 3.42Å; I222-M224 HydrophobicContact CG2-CB 4.15Å; I222-M224 PolarHBondContact O-N 2.84Å; I222-G225 WeakPolarHBondContact O-CA 3.28Å; I222-G225 PolarHBondContact O-N 3.43Å; I222-Y226 WeakPolarHBondContact CD1-O 3.42Å; I222-L227 HydrophobicContact CD1-CD1 4.29Å; I222-L259 HydrophobicContact CG1-CB 3.94Å; I222-L259 HydrophobicContact CG1-CD1 4.17Å; I222-L259 HydrophobicContact CG1-CD2 4.03Å; I222-L259 HydrophobicContact CG1-CG 4.27Å
223P98.4Very high96.1Very high97 Ų9771.7 Ų71.763%0.6337%0.37SS*.THydrogen-bonded Turntrans-55.8-33.8178.4-30.337000115.1M221 G225 G257 G258M221-P223 WeakPolarHBondContact O-CD 3.48Å; P223-G225 PolarHBondContact O-N 3.45Å; P223-G257 VanDerWaalsContact CD-O 3.26Å; P223-G257 WeakPolarHBondContact CD-O 3.43Å; P223-G258 WeakPolarHBondContact CD-O 3.24Å; P223-G258 WeakPolarHBondContact CG-O 3.43Å
224M98.3Very high96.4Very high114 Ų11463.6 Ų63.656%0.56234%0.335SS*.THydrogen-bonded Turntrans-72.2-13.9174-71.5-173.7176.500114I222 Y226 G257I222-M224 HydrophobicContact CG2-CB 4.15Å; I222-M224 PolarHBondContact O-N 2.84Å; M224-Y226 VanDerWaalsContact C-N 3.33Å; M224-Y226 HydrophobicContact CB-CD1 4.2Å; M224-Y226 HydrophobicContact CB-CE1 3.77Å; M224-Y226 WeakPolarHBondContact O-CD1 3.19Å; M224-Y226 WeakPolarHBondContact O-CE1 3.4Å; M224-Y226 PolarHBondContact O-N 2.88Å; M224-G257 WeakPolarHBondContact CG-O 3.45Å; M224-G257 PolarHBondContact N-O 3.15Å; M224-G257 VanDerWaalsContact SD-CA 3.6Å
225G97.3Very high96.7Very high45 Ų4564 Ų6446%0.46434%0.335SS..SBendtrans74.117.3174.300000115.3T219 I222 P223T219-G225 WeakPolarHBondContact CG2-O 3.38Å; I222-G225 WeakPolarHBondContact O-CA 3.28Å; I222-G225 PolarHBondContact O-N 3.43Å; P223-G225 PolarHBondContact O-N 3.45Å
226Y96.8Very high97.1Very high127 Ų12764.3 Ų64.350%0.49834%0.337SS..SBendtrans-149.8156.7175.656.4-97.8000111.4I222 M224I222-Y226 WeakPolarHBondContact CD1-O 3.42Å; M224-Y226 VanDerWaalsContact C-N 3.33Å; M224-Y226 HydrophobicContact CB-CD1 4.2Å; M224-Y226 HydrophobicContact CB-CE1 3.77Å; M224-Y226 WeakPolarHBondContact O-CD1 3.19Å; M224-Y226 WeakPolarHBondContact O-CE1 3.4Å; M224-Y226 PolarHBondContact O-N 2.88Å
227L97.1Very high97.3Very high33 Ų3360.9 Ų60.917%0.17332%0.319CS..PPolyproline II helixtrans-69.8139168.8-89.964.3000109.5F201 V215 T219 I222F201-L227 HydrophobicContact CB-CG 4.17Å; V215-L227 HydrophobicContact CG1-CD1 3.91Å; V215-L227 HydrophobicContact CG1-CD2 4.06Å; T219-L227 WeakPolarHBondContact OG1-CD1 3.49Å; I222-L227 HydrophobicContact CD1-CD1 4.29Å
228G97.8Very high97.6Very high13 Ų1354.1 Ų54.113%0.13429%0.29CS..BIsolated β-bridgetrans-66.3155.6173.500000111.8F201 I202 A203 D232F201-G228 PolarHBondContact O-N 3.04Å; I202-G228 CarbonylContact C-O 3.49Å; I202-G228 WeakPolarHBondContact CA-O 3.43Å; I202-G228 WeakPolarHBondContact CG2-O 3.32Å; A203-G228 PolarHBondContact N-O 2.87Å; G228-D232 WeakPolarHBondContact CA-OD2 3.05Å
229D98.1Very high97.9Very high82 Ų8256.9 Ų56.944%0.43930%0.301SS..PPolyproline II helixtrans-92.6154.6174.2-76.2-47.7000110.9I202 E231 D232I202-D229 VanDerWaalsContact CG2-C 3.47Å; D229-E231 WeakPolarHBondContact CB-OE2 3.34Å; D229-E231 PolarHBondContact O-N 2.87Å; D229-E231 VanDerWaalsContact O-N 3.15Å; D229-D232 PolarHBondContact N-OD2 3.37Å; D229-D232 WeakPolarHBondContact O-CB 3.15Å; D229-D232 PolarHBondContact O-N 3.43Å
230P98.3Very high98Very high17 Ų1755.3 Ų55.311%0.1129%0.291CS..Hα-helixtrans-53.9-31.9175.3-28.137.6000113.4A26 I202 A203 T204 V233 A234A26-P230 HydrophobicContact CB-CB 3.53Å; I202-P230 HydrophobicContact CG2-CB 4.48Å; I202-P230 HydrophobicContact CG2-CG 4.11Å; A203-P230 WeakPolarHBondContact O-CD 3.46Å; A203-P230 VanDerWaalsContact O-CG 3.28Å; A203-P230 WeakPolarHBondContact O-CG 3.44Å; T204-P230 HydrophobicContact CG2-CG 3.97Å; P230-V233 PolarHBondContact O-N 3.27Å; P230-A234 PolarHBondContact O-N 2.92Å; P230-A234 VanDerWaalsContact O-N 3.09Å
231E98.1Very high98.1Very high109 Ų10947.8 Ų47.851%0.50926%0.258SS..Hα-helixtrans-62.2-38.4175.3-66.981-17700112.3D229 V233 A234 D235D229-E231 WeakPolarHBondContact CB-OE2 3.34Å; D229-E231 PolarHBondContact O-N 2.87Å; D229-E231 VanDerWaalsContact O-N 3.15Å; E231-V233 PolarHBondContact O-N 3.05Å; E231-A234 CarbonylContact O-C 3.5Å; E231-A234 WeakPolarHBondContact O-CA 3.26Å; E231-A234 WeakPolarHBondContact O-CB 3.12Å; E231-A234 PolarHBondContact O-N 2.67Å; E231-D235 PolarHBondContact O-N 3.05Å
232D98.5Very high98.2Very high66 Ų6643 Ų4335%0.35323%0.234SC..Hα-helixtrans-58.7-38.4178.9-63.5-38.1000111.5G228 D229 V255G228-D232 WeakPolarHBondContact CA-OD2 3.05Å; D229-D232 PolarHBondContact N-OD2 3.37Å; D229-D232 WeakPolarHBondContact O-CB 3.15Å; D229-D232 PolarHBondContact O-N 3.43Å; D232-V255 HydrophobicContact CB-CG1 4.2Å
233V98.8Very high98.2Very high0 Ų049.4 Ų49.40%026%0.264CS..Hα-helixtrans-73.6-41.1175.2-1750000110.9I23 V197 P199 I202 P230 E231 D235 V236 V237 V255I23-V233 HydrophobicContact CD1-CG1 4.4Å; I23-V233 HydrophobicContact CD1-CG2 4.18Å; I23-V233 HydrophobicContact CG1-CB 4.45Å; I23-V233 HydrophobicContact CG1-CG2 4.42Å; I23-V233 HydrophobicContact CG2-CB 4.06Å; I23-V233 HydrophobicContact CG2-CG1 3.65Å; V197-V233 HydrophobicContact CG1-CG1 3.98Å; P199-V233 HydrophobicContact CB-CG2 3.88Å; P199-V233 HydrophobicContact CG-CG1 3.87Å; P199-V233 HydrophobicContact CG-CG2 3.87Å; I202-V233 HydrophobicContact CD1-CG2 3.75Å; I202-V233 HydrophobicContact CG1-CG2 3.84Å; P230-V233 PolarHBondContact O-N 3.27Å; E231-V233 PolarHBondContact O-N 3.05Å; V233-D235 PolarHBondContact O-N 2.95Å; V233-V236 PolarHBondContact O-N 3.22Å; V233-V237 WeakPolarHBondContact O-CG2 3.34Å; V233-V237 PolarHBondContact O-N 2.95Å; V233-V255 HydrophobicContact CG2-CG1 4.28Å
234A98.6Very high98.2Very high1 Ų149.5 Ų49.51%0.00826%0.259CS..Hα-helixtrans-61.2-34.4179.300000112.5A26 V27 R30 P230 E231 V237 A238A26-A234 HydrophobicContact CB-CB 4.13Å; V27-A234 HydrophobicContact CG2-CB 4.02Å; R30-A234 HydrophobicContact CB-CB 3.85Å; R30-A234 HydrophobicContact CG-CB 4.22Å; P230-A234 PolarHBondContact O-N 2.92Å; P230-A234 VanDerWaalsContact O-N 3.09Å; E231-A234 CarbonylContact O-C 3.5Å; E231-A234 WeakPolarHBondContact O-CA 3.26Å; E231-A234 WeakPolarHBondContact O-CB 3.12Å; E231-A234 PolarHBondContact O-N 2.67Å; A234-V237 PolarHBondContact O-N 3.29Å; A234-A238 WeakPolarHBondContact O-CB 3.44Å; A234-A238 PolarHBondContact O-N 3.29Å
235D98.6Very high98.2Very high74 Ų7444 Ų4440%0.39623%0.232SC..Hα-helixtrans-61.9-45.4176.8-81.130.6000112.1R30 E231 V233 A238 F239R30-D235 IonicContact CZ-OD1 3.4Å; R30-D235 IonicContact CZ-OD2 2.87Å; R30-D235 IonicContact NH1-OD1 3.66Å; R30-D235 PolarHBondContact NH1-OD1 3.37Å; R30-D235 IonicContact NH1-OD2 3.61Å; R30-D235 PolarHBondContact NH1-OD2 2.61Å; E231-D235 PolarHBondContact O-N 3.05Å; V233-D235 PolarHBondContact O-N 2.95Å; D235-A238 PolarHBondContact O-N 2.88Å; D235-F239 PolarHBondContact O-N 3.5Å
236V98.8Very high98.2Very high31 Ų3143.5 Ų43.519%0.18823%0.227CC..Hα-helixtrans-67.3-40.9175.4174.90000111.2V197 V233 A238 F239 L240 V253 V255V197-V236 HydrophobicContact CG1-CG1 4.19Å; V197-V236 HydrophobicContact CG2-CG1 4Å; V233-V236 PolarHBondContact O-N 3.22Å; V236-A238 VanDerWaalsContact C-N 3.31Å; V236-A238 PolarHBondContact O-N 3.35Å; V236-F239 PolarHBondContact O-N 2.9Å; V236-L240 HydrophobicContact CG1-CD1 4.04Å; V236-L240 HydrophobicContact CG1-CG 4.34Å; V236-L240 WeakPolarHBondContact O-CG 3.28Å; V236-L240 PolarHBondContact O-N 3.13Å; V236-V253 HydrophobicContact CG1-CB 4.08Å; V236-V253 HydrophobicContact CG1-CG1 3.68Å; V236-V255 HydrophobicContact CB-CG2 4.08Å; V236-V255 HydrophobicContact CG1-CG2 4.26Å; V236-V255 HydrophobicContact CG2-CG2 3.65Å
237V98.9Very high98.3Very high0 Ų048.6 Ų48.60%025%0.247CC..Hα-helixtrans-60.4-42.5175.1172.20000111V27 V101 I152 I154 V197 V233 A234 L240 A241V27-V237 HydrophobicContact CG1-CG1 3.73Å; V27-V237 HydrophobicContact CG2-CB 4.07Å; V27-V237 HydrophobicContact CG2-CG1 4.1Å; V27-V237 HydrophobicContact CG2-CG2 3.97Å; V101-V237 HydrophobicContact CB-CG1 4.49Å; V101-V237 HydrophobicContact CG1-CG1 3.92Å; V101-V237 HydrophobicContact CG1-CG2 4.45Å; V101-V237 HydrophobicContact CG2-CG1 3.73Å; I152-V237 HydrophobicContact CD1-CG1 3.97Å; I152-V237 WeakPolarHBondContact CD1-O 3.38Å; I152-V237 HydrophobicContact CG2-CG1 4.44Å; I152-V237 HydrophobicContact CG2-CG2 4.18Å; I154-V237 HydrophobicContact CD1-CG2 3.78Å; V197-V237 HydrophobicContact CG2-CG2 4.16Å; V233-V237 WeakPolarHBondContact O-CG2 3.34Å; V233-V237 PolarHBondContact O-N 2.95Å; A234-V237 PolarHBondContact O-N 3.29Å; V237-L240 PolarHBondContact O-N 3.2Å; V237-A241 VanDerWaalsContact O-CB 3.3Å; V237-A241 WeakPolarHBondContact O-CB 3.41Å; V237-A241 PolarHBondContact O-N 2.88Å
238A98.6Very high98.4Very high0 Ų049.7 Ų49.70%025%0.253CS..Hα-helixtrans-65.1-40.3178.100000112.4R8 R30 L31 E34 A234 D235 V236 A241 S242R8-A238 VanDerWaalsContact NH2-C 3.26Å; R8-A238 PolarHBondContact NH2-O 2.98Å; R30-A238 HydrophobicContact CG-CB 3.73Å; L31-A238 HydrophobicContact CD2-CB 4.1Å; E34-A238 WeakPolarHBondContact OE1-CB 3.49Å; A234-A238 WeakPolarHBondContact O-CB 3.44Å; A234-A238 PolarHBondContact O-N 3.29Å; D235-A238 PolarHBondContact O-N 2.88Å; V236-A238 VanDerWaalsContact C-N 3.31Å; V236-A238 PolarHBondContact O-N 3.35Å; A238-A241 PolarHBondContact O-N 3.47Å; A238-S242 PolarHBondContact O-N 2.92Å
239F98.7Very high98.4Very high76 Ų7652.1 Ų52.133%0.33327%0.265SS..Hα-helixtrans-59.1-47.3169.7169.8-108.9000112.7D235 V236 A241 S242 D244 S245 I248D235-F239 PolarHBondContact O-N 3.5Å; V236-F239 PolarHBondContact O-N 2.9Å; F239-A241 PolarHBondContact O-N 3.14Å; F239-S242 PolarHBondContact O-N 3.33Å; F239-S242 PolarHBondContact O-OG 3.08Å; F239-D244 HydrophobicContact CD2-CB 4.02Å; F239-D244 HydrophobicContact CE2-CB 3.82Å; F239-S245 WeakPolarHBondContact O-CB 3.49Å; F239-S245 PolarHBondContact O-OG 3.06Å; F239-I248 HydrophobicContact CE1-CD1 3.7Å; F239-I248 HydrophobicContact CZ-CD1 3.68Å
240L98.8Very high98.5Very high0 Ų049.3 Ų49.30%026%0.255CS..Hα-helixtrans-68.2-22.6178.3-68.2177.7000112.9S150 I152 R193 N195 V197 V236 V237 S245 I248 V253S150-L240 PolarHBondContact OG-O 3.3Å; I152-L240 HydrophobicContact CD1-CB 3.76Å; I152-L240 HydrophobicContact CG1-CB 4.06Å; I152-L240 HydrophobicContact CG2-CD1 4.26Å; R193-L240 PolarHBondContact NH1-O 3.25Å; R193-L240 VanDerWaalsContact NH1-O 3.08Å; R193-L240 PolarHBondContact NH2-O 3.08Å; N195-L240 HydrophobicContact CB-CD1 4.03Å; N195-L240 HydrophobicContact CB-CD2 4.29Å; V197-L240 HydrophobicContact CG2-CD1 3.56Å; V236-L240 HydrophobicContact CG1-CD1 4.04Å; V236-L240 HydrophobicContact CG1-CG 4.34Å; V236-L240 WeakPolarHBondContact O-CG 3.28Å; V236-L240 PolarHBondContact O-N 3.13Å; V237-L240 PolarHBondContact O-N 3.2Å; L240-S245 VanDerWaalsContact CA-OG 3.28Å; L240-S245 WeakPolarHBondContact CA-OG 3.27Å; L240-S245 PolarHBondContact O-OG 3.44Å; L240-I248 HydrophobicContact CD2-CG2 4.21Å; L240-V253 HydrophobicContact CD1-CG2 4.19Å; L240-V253 HydrophobicContact CD2-CG2 4.36Å
241A98.8Very high98.5Very high8 Ų850 Ų507%0.06626%0.262CS..Hα-helixtrans-79.4-26.3175.400000113.3L9 L31 V99 I152 V237 A238 F239L9-A241 HydrophobicContact CD1-CB 4.18Å; L9-A241 HydrophobicContact CD2-CB 4.33Å; L31-A241 HydrophobicContact CD2-CB 4.05Å; V99-A241 HydrophobicContact CG1-CB 3.73Å; V99-A241 HydrophobicContact CG2-CB 3.9Å; I152-A241 HydrophobicContact CD1-CB 4Å; V237-A241 VanDerWaalsContact O-CB 3.3Å; V237-A241 WeakPolarHBondContact O-CB 3.41Å; V237-A241 PolarHBondContact O-N 2.88Å; A238-A241 PolarHBondContact O-N 3.47Å; F239-A241 PolarHBondContact O-N 3.14Å
242S98.1Very high98.5Very high4 Ų447 Ų473%0.02825%0.253CS..SBendtrans-87.1168.7-178.480.20000113.1R8 R193 A238 F239 D244 S245R8-S242 PolarHBondContact NH2-OG 3.12Å; R193-S242 PolarHBondContact NH2-O 3.05Å; A238-S242 PolarHBondContact O-N 2.92Å; F239-S242 PolarHBondContact O-N 3.33Å; F239-S242 PolarHBondContact O-OG 3.08Å; S242-D244 PolarHBondContact O-N 2.98Å; S242-D244 WeakPolarHBondContact OG-CB 3.26Å; S242-D244 PolarHBondContact OG-N 3.03Å; S242-D244 PolarHBondContact OG-OD2 3.43Å; S242-S245 PolarHBondContact O-N 2.65Å; S242-S245 PolarHBondContact O-OG 2.68Å
243E96.8Very high98.5Very high141 Ų14146 Ų4666%0.65925%0.249SC*.G310 helixtrans-72.6-8.9173.6-68.6-59.2128.500113.5S245 G246E243-S245 PolarHBondContact O-N 2.97Å; E243-S245 VanDerWaalsContact O-N 3.14Å; E243-G246 WeakPolarHBondContact O-CA 3.16Å; E243-G246 PolarHBondContact O-N 3.46Å
244D97.9Very high98.5Very high98 Ų9849.8 Ų49.852%0.52427%0.267SS..G310 helixtrans-62.1-23.1173.5-54.6-40.3000111.4R8 F239 S242R8-D244 IonicContact CZ-OD2 3.9Å; R8-D244 IonicContact NE-OD2 3.23Å; R8-D244 IonicContact NH1-OD2 2.85Å; R8-D244 PolarHBondContact NH1-OD2 3.39Å; R8-D244 IonicContact NH2-OD2 3.98Å; F239-D244 HydrophobicContact CD2-CB 4.02Å; F239-D244 HydrophobicContact CE2-CB 3.82Å; S242-D244 PolarHBondContact O-N 2.98Å; S242-D244 WeakPolarHBondContact OG-CB 3.26Å; S242-D244 PolarHBondContact OG-N 3.03Å; S242-D244 PolarHBondContact OG-OD2 3.43Å
245S98.4Very high98.5Very high0 Ų050.8 Ų50.80%027%0.273CS..G310 helixtrans-103.923.7173.162.80000112.8R193 F239 L240 S242 E243 Y247 I248R193-S245 PolarHBondContact NH1-O 3.02Å; R193-S245 PolarHBondContact NH1-OG 3.04Å; R193-S245 PolarHBondContact NH2-OG 2.76Å; F239-S245 WeakPolarHBondContact O-CB 3.49Å; F239-S245 PolarHBondContact O-OG 3.06Å; L240-S245 VanDerWaalsContact CA-OG 3.28Å; L240-S245 WeakPolarHBondContact CA-OG 3.27Å; L240-S245 PolarHBondContact O-OG 3.44Å; S242-S245 PolarHBondContact O-N 2.65Å; S242-S245 PolarHBondContact O-OG 2.68Å; E243-S245 PolarHBondContact O-N 2.97Å; E243-S245 VanDerWaalsContact O-N 3.14Å; S245-Y247 PolarHBondContact O-N 3.09Å; S245-I248 WeakPolarHBondContact O-CB 3.44Å; S245-I248 PolarHBondContact O-N 3.45Å
246G98.3Very high98.5Very high34 Ų3447.9 Ų47.935%0.35126%0.258SS..THydrogen-bonded Turntrans-58.8-20.5-173.500000115.3R193 E243R193-G246 WeakPolarHBondContact CD-O 3.5Å; E243-G246 WeakPolarHBondContact O-CA 3.16Å; E243-G246 PolarHBondContact O-N 3.46Å
247Y98.5Very high98.5Very high233 Ų23347.5 Ų47.591%0.91426%0.26SS*.THydrogen-bonded Turntrans-107.114.7174.7-152.5-114.2000113.9S245S245-Y247 PolarHBondContact O-N 3.09Å
248I98.9Very high98.4Very high57 Ų5749 Ų4929%0.29228%0.277SS..  trans-109.9110.8177.5-53.8-179.7000108.6R193 N195 F239 L240 S245 A251R193-I248 WeakPolarHBondContact CD-O 3.26Å; R193-I248 PolarHBondContact NH1-O 3Å; N195-I248 PolarHBondContact ND2-O 3.39Å; F239-I248 HydrophobicContact CE1-CD1 3.7Å; F239-I248 HydrophobicContact CZ-CD1 3.68Å; L240-I248 HydrophobicContact CD2-CG2 4.21Å; S245-I248 WeakPolarHBondContact O-CB 3.44Å; S245-I248 PolarHBondContact O-N 3.45Å; I248-A251 HydrophobicContact CG2-CB 3.7Å
249T98.9Very high98.3Very high64 Ų6449.2 Ų49.239%0.39328%0.277SS..  trans-147.8144.7173.4-169.20000109.6A184 R193 C194 N195 A251A184-T249 WeakPolarHBondContact CB-OG1 3.38Å; R193-T249 WeakPolarHBondContact CA-OG1 3.5Å; C194-T249 PolarHBondContact N-OG1 3.14Å; N195-T249 WeakPolarHBondContact OD1-CA 3.47Å; N195-T249 PolarHBondContact OD1-N 3.5Å; T249-A251 PolarHBondContact O-N 2.74Å
250G98.7Very high98.1Very high23 Ų2349.7 Ų49.724%0.23728%0.279CS..SBendtrans768-174.700000114.3A184 C194 N195A184-G250 VanDerWaalsContact CB-CA 3.44Å; A184-G250 VanDerWaalsContact CB-N 3.35Å; C194-G250 WeakPolarHBondContact O-CA 3.38Å; C194-G250 PolarHBondContact O-N 2.86Å; N195-G250 PolarHBondContact OD1-N 3.45Å
251A98.8Very high96.7Very high31 Ų3156.9 Ų56.926%0.25632%0.315SS..  trans-84.3154.7-176.600000112.6N195 S196 I248 T249N195-A251 PolarHBondContact OD1-N 3.28Å; N195-A251 VanDerWaalsContact OD1-N 3.11Å; S196-A251 PolarHBondContact N-O 3.47Å; S196-A251 PolarHBondContact OG-O 3.44Å; I248-A251 HydrophobicContact CG2-CB 3.7Å; T249-A251 PolarHBondContact O-N 2.74Å
252S98.6Very high96.6Very high46 Ų4659.3 Ų59.332%0.32233%0.327SS..EExtended strand (participates in β ladder)trans-115.5112.6167.6-64.80000108.2I177 S196I177-S252 WeakPolarHBondContact CG2-OG 3.49Å; S196-S252 WeakPolarHBondContact O-CA 3.35Å; S196-S252 VanDerWaalsContact OG-CA 3.3Å; S196-S252 WeakPolarHBondContact OG-CA 3.44Å; S196-S252 WeakPolarHBondContact OG-CB 3.42Å; S196-S252 PolarHBondContact OG-OG 3.46Å
253V98.8Very high96.5Very high45 Ų4562.2 Ų62.227%0.27334%0.343SS..EExtended strand (participates in β ladder)trans-102.8119.3-176.7-173.50000109.5S196 V197 L198 V236 L240S196-V253 PolarHBondContact O-N 2.98Å; V197-V253 CarbonylContact C-O 3.59Å; V197-V253 WeakPolarHBondContact CA-O 3.14Å; L198-V253 PolarHBondContact N-O 2.83Å; V236-V253 HydrophobicContact CG1-CB 4.08Å; V236-V253 HydrophobicContact CG1-CG1 3.68Å; L240-V253 HydrophobicContact CD1-CG2 4.19Å; L240-V253 HydrophobicContact CD2-CG2 4.36Å
254E98.7Very high96.5Very high79 Ų7957.8 Ų57.837%0.36933%0.325SS..EExtended strand (participates in β ladder)trans-86.5130.3-177-71.8161.3178.300111I157 K160 L198 T256 M261I157-E254 HydrophobicContact CD1-CG 4.34Å; K160-E254 VanDerWaalsContact CD-OE1 3.25Å; K160-E254 WeakPolarHBondContact CD-OE1 3.2Å; K160-E254 WeakPolarHBondContact CE-OE1 3.34Å; K160-E254 IonicContact NZ-OE1 3.96Å; K160-E254 PolarHBondContact NZ-OE1 3.1Å; K160-E254 IonicContact NZ-OE2 3.16Å; K160-E254 PolarHBondContact NZ-OE2 2.87Å; L198-E254 HydrophobicContact CB-CG 4.17Å; L198-E254 HydrophobicContact CD2-CG 4.31Å; E254-T256 HydrophobicContact CB-CG2 4.08Å; E254-M261 VanDerWaalsContact CD-O 3.28Å
255V98.5Very high96.4Very high23 Ų2355.5 Ų55.514%0.13931%0.314CS..EExtended strand (participates in β ladder)trans-128.868.8179.1-167.50000108V197 L198 P199 G200 D232 V233 V236V197-V255 HydrophobicContact CG1-CG2 3.72Å; L198-V255 PolarHBondContact O-N 3.29Å; P199-V255 CarbonylContact C-O 3.35Å; P199-V255 WeakPolarHBondContact CA-O 3.34Å; G200-V255 PolarHBondContact N-O 3.5Å; D232-V255 HydrophobicContact CB-CG1 4.2Å; V233-V255 HydrophobicContact CG2-CG1 4.28Å; V236-V255 HydrophobicContact CB-CG2 4.08Å; V236-V255 HydrophobicContact CG1-CG2 4.26Å; V236-V255 HydrophobicContact CG2-CG2 3.65Å
256T98.3Very high96.3Very high12 Ų1258.9 Ų58.97%0.07433%0.333CS..SBendtrans-118.5-7.9-161.158.10000113.9I157 E254 G258 L259 M261I157-T256 HydrophobicContact CB-CG2 3.87Å; I157-T256 HydrophobicContact CD1-CG2 3.83Å; I157-T256 HydrophobicContact CG1-CG2 3.82Å; E254-T256 HydrophobicContact CB-CG2 4.08Å; T256-G258 PolarHBondContact O-N 3.14Å; T256-G258 PolarHBondContact OG1-N 3.02Å; T256-L259 WeakPolarHBondContact CB-O 3.49Å; T256-L259 VanDerWaalsContact O-CB 3.31Å; T256-L259 WeakPolarHBondContact O-CB 3.36Å; T256-L259 PolarHBondContact O-N 3.48Å; T256-L259 VanDerWaalsContact O-N 3.16Å; T256-L259 PolarHBondContact OG1-N 2.83Å; T256-M261 PolarHBondContact OG1-OXT 2.83Å
257G97.9Very high96.2Very high23 Ų2360.6 Ų60.624%0.23733%0.332CS..THydrogen-bonded Turntrans61.320.9-165.100000113.4P223 M224P223-G257 VanDerWaalsContact CD-O 3.26Å; P223-G257 WeakPolarHBondContact CD-O 3.43Å; M224-G257 WeakPolarHBondContact CG-O 3.45Å; M224-G257 PolarHBondContact N-O 3.15Å; M224-G257 VanDerWaalsContact SD-CA 3.6Å
258G97.5Very high96Very high33 Ų3348.3 Ų48.334%0.3429%0.291SS..THydrogen-bonded Turntrans88.54-175.700000114.7P223 T256 F260 M261P223-G258 WeakPolarHBondContact CD-O 3.24Å; P223-G258 WeakPolarHBondContact CG-O 3.43Å; T256-G258 PolarHBondContact O-N 3.14Å; T256-G258 PolarHBondContact OG1-N 3.02Å; G258-F260 PolarHBondContact O-N 3.12Å; G258-M261 WeakPolarHBondContact O-CA 3.39Å; G258-M261 PolarHBondContact O-N 2.84Å; G258-M261 VanDerWaalsContact O-N 3.1Å
259L95.8Very high95.8Very high3 Ų347.6 Ų47.62%0.01629%0.291CS..THydrogen-bonded Turntrans-68.7121.1178.3-178.868.9000110.9F201 I218 M221 I222 T256 M261F201-L259 HydrophobicContact CD2-CD2 3.63Å; F201-L259 HydrophobicContact CE2-CD2 4.17Å; I218-L259 HydrophobicContact CG2-CD2 4.47Å; M221-L259 HydrophobicContact CB-CD1 3.74Å; I222-L259 HydrophobicContact CG1-CB 3.94Å; I222-L259 HydrophobicContact CG1-CD1 4.17Å; I222-L259 HydrophobicContact CG1-CD2 4.03Å; I222-L259 HydrophobicContact CG1-CG 4.27Å; T256-L259 WeakPolarHBondContact CB-O 3.49Å; T256-L259 VanDerWaalsContact O-CB 3.31Å; T256-L259 WeakPolarHBondContact O-CB 3.36Å; T256-L259 PolarHBondContact O-N 3.48Å; T256-L259 VanDerWaalsContact O-N 3.16Å; T256-L259 PolarHBondContact OG1-N 2.83Å; L259-M261 PolarHBondContact O-N 2.79Å; L259-M261 VanDerWaalsContact O-N 3.15Å
260F94.6Very high95.5Very high86 Ų8646.3 Ų46.338%0.37728%0.282SS..THydrogen-bonded Turntrans54.127.1-171.9-51-50.2000113.1I157 K160 V161 M221 G258I157-F260 HydrophobicContact CD1-CB 4.42Å; I157-F260 HydrophobicContact CG1-CB 3.98Å; I157-F260 HydrophobicContact CG1-CD2 4.36Å; K160-F260 WeakPolarHBondContact CE-O 3.44Å; K160-F260 PolarHBondContact NZ-O 3.46Å; V161-F260 HydrophobicContact CG1-CB 4.06Å; V161-F260 HydrophobicContact CG2-CB 3.92Å; V161-F260 HydrophobicContact CG2-CD2 3.65Å; V161-F260 HydrophobicContact CG2-CE2 4.34Å; V161-F260 HydrophobicContact CG2-CG 3.84Å; M221-F260 HydrophobicContact CE-CE1 3.59Å; M221-F260 HydrophobicContact CE-CZ 3.57Å; G258-F260 PolarHBondContact O-N 3.12Å
261M70Confident95.2Very high151 Ų15148.4 Ų48.474%0.74429%0.286SS*.  trans49.60-16256.7-173.9-170.500113.2K160 E254 T256 G258 L259K160-M261 PolarHBondContact NZ-O 3.15Å; E254-M261 VanDerWaalsContact CD-O 3.28Å; T256-M261 PolarHBondContact OG1-OXT 2.83Å; G258-M261 WeakPolarHBondContact O-CA 3.39Å; G258-M261 PolarHBondContact O-N 2.84Å; G258-M261 VanDerWaalsContact O-N 3.1Å; L259-M261 PolarHBondContact O-N 2.79Å; L259-M261 VanDerWaalsContact O-N 3.15Å

Retrieved 261 of 261 residues in 49.6 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).