A0A3Q0KIM9_SCHMA Loading...

Cleavage and polyadenylation specificity factor-related

AlphaFold DB , UniProt , Accession A0A3Q0KIM9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 686 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
1M31.7Very low56.3Low228 Ų228114.5 Ų114.5100%1.12361%0.611SS**  0116.60-72.9177.1-15800106.2L3M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.24Å
2D33Very low59.4Low175 Ų175109.9 Ų109.994%0.93658%0.582SS**  trans-60.197.3167.1-114.3-21.1000107.2G4D2-G4 PolarHBondContact O-N 2.82Å
3L38.4Very low62.3Low158 Ų158101.5 Ų101.583%0.82754%0.537SS*.  trans-72.887.8168.1-81.3157.4000105.5M1 D5M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.24Å; L3-D5 PolarHBondContact O-N 3.42Å
4G39.4Very low64.8Low56 Ų5695.8 Ų95.858%0.57751%0.508SS*.  trans-46.3128.7173.300000109.7D2 T6D2-G4 PolarHBondContact O-N 2.82Å; G4-T6 VanDerWaalsContact C-N 3.28Å; G4-T6 PolarHBondContact O-N 3.39Å
5D42.9Very low67.1Low89 Ų8989.4 Ų89.448%0.47647%0.474SS..  trans-58.986.1-177.2-80-45.8000110.9L3 Y7 R463L3-D5 PolarHBondContact O-N 3.42Å; D5-Y7 VanDerWaalsContact C-N 3.34Å; D5-Y7 HydrophobicContact CB-CD2 4.37Å; D5-Y7 HydrophobicContact CB-CE2 3.84Å; D5-Y7 WeakPolarHBondContact O-CD2 3.39Å; D5-Y7 PolarHBondContact O-N 3.1Å; D5-R463 IonicContact OD1-CZ 2.57Å; D5-R463 IonicContact OD1-NH1 3.43Å; D5-R463 PolarHBondContact OD1-NH1 3.18Å; D5-R463 IonicContact OD1-NH2 3.65Å
6T53.2Low69Low132 Ų13285.4 Ų85.481%0.8145%0.453SS*.  trans-76.789.6167.751.20000107.7G4 E8G4-T6 VanDerWaalsContact C-N 3.28Å; G4-T6 PolarHBondContact O-N 3.39Å; T6-E8 PolarHBondContact O-N 3.12Å
7Y59.1Low70.8Confident130 Ų13080.4 Ų80.451%0.5143%0.426SS..  trans-63.9125.4172-65-77.7000110.1D5D5-Y7 VanDerWaalsContact C-N 3.34Å; D5-Y7 HydrophobicContact CB-CD2 4.37Å; D5-Y7 HydrophobicContact CB-CE2 3.84Å; D5-Y7 WeakPolarHBondContact O-CD2 3.39Å; D5-Y7 PolarHBondContact O-N 3.1Å
8E70.8Confident72.3Confident90 Ų9075.9 Ų75.942%0.42140%0.403SS..  trans-75.5139.7167.3-65.9-179.3-160.100108.7T6 S10 D11 K466T6-E8 PolarHBondContact O-N 3.12Å; E8-S10 PolarHBondContact O-N 3.17Å; E8-S10 PolarHBondContact OE2-OG 3.18Å; E8-D11 WeakPolarHBondContact O-CB 3.23Å; E8-D11 PolarHBondContact O-N 3.41Å; E8-K466 IonicContact OE1-NZ 3.98Å; E8-K466 PolarHBondContact OE1-NZ 3.01Å; E8-K466 VanDerWaalsContact OE1-NZ 3.07Å
9E78.1Confident73.6Confident143 Ų14371.9 Ų71.967%0.66838%0.381SS*.G310 helixtrans-54.5-22.6168-84.6-69.2144.200111.7D11 K12E9-D11 PolarHBondContact O-N 3.15Å; E9-K12 WeakPolarHBondContact O-CB 3.36Å; E9-K12 PolarHBondContact O-N 3.4Å
10S83.8Confident74.8Confident38 Ų3868.4 Ų68.427%0.26636%0.363SS..G310 helixtrans-66.9-17.5175.788.30000114.3E8 K12 K34E8-S10 PolarHBondContact O-N 3.17Å; E8-S10 PolarHBondContact OE2-OG 3.18Å; S10-K12 VanDerWaalsContact C-N 3.32Å; S10-K34 WeakPolarHBondContact O-CG 3.29Å; S10-K34 PolarHBondContact O-N 2.91Å; S10-K34 PolarHBondContact O-NZ 2.97Å
11D88.9Confident75.9Confident21 Ų2165.4 Ų65.411%0.11235%0.348CS..G310 helixtrans-87.4-2.4178-67.5-31.3000113.3E8 E9 K34 F462E8-D11 WeakPolarHBondContact O-CB 3.23Å; E8-D11 PolarHBondContact O-N 3.41Å; E9-D11 PolarHBondContact O-N 3.15Å; D11-K34 IonicContact OD1-NZ 3.94Å; D11-K34 PolarHBondContact OD1-NZ 3.28Å; D11-F462 PolarHBondContact O-N 2.91Å
12K93.7Very high79Confident59 Ų5955.9 Ų55.926%0.25730%0.301SS..EExtended strand (participates in β ladder)trans-89.4113.5176.7-177.2-176.2166.5-169.90110.3E9 S10 N459 L460E9-K12 WeakPolarHBondContact O-CB 3.36Å; E9-K12 PolarHBondContact O-N 3.4Å; S10-K12 VanDerWaalsContact C-N 3.32Å; K12-N459 WeakPolarHBondContact CE-OD1 3.43Å; K12-N459 HydrophobicContact CG-CB 4.41Å; K12-N459 PolarHBondContact NZ-OD1 3.41Å; K12-L460 CarbonylContact C-O 3.49Å; K12-L460 WeakPolarHBondContact CA-O 3.42Å
13L96.8Very high82Confident0 Ų049.1 Ų49.10%026%0.263CS..EExtended strand (participates in β ladder)trans-86.2123.7167.7-178.9138.3000108.8I15 L31 T32 F33 V176 I178 L460 F462L13-I15 HydrophobicContact CD2-CD1 3.66Å; L13-I15 HydrophobicContact CD2-CG1 3.71Å; L13-L31 HydrophobicContact CD1-CD1 4.1Å; L13-L31 HydrophobicContact CD2-CD1 4.13Å; L13-L31 HydrophobicContact CG-CD1 3.99Å; L13-T32 WeakPolarHBondContact CA-O 3.11Å; L13-F33 HydrophobicContact CB-CB 4.34Å; L13-F33 HydrophobicContact CB-CD2 3.61Å; L13-F33 HydrophobicContact CB-CE2 4.1Å; L13-F33 HydrophobicContact CB-CG 4.07Å; L13-F33 HydrophobicContact CD1-CB 4.03Å; L13-F33 HydrophobicContact CD1-CD1 4.2Å; L13-F33 HydrophobicContact CD1-CD2 4.3Å; L13-F33 HydrophobicContact CD1-CG 3.94Å; L13-F33 HydrophobicContact CG-CB 4.23Å; L13-F33 HydrophobicContact CG-CD2 4.36Å; L13-F33 HydrophobicContact CG-CG 4.32Å; L13-V176 HydrophobicContact CD1-CG1 4.07Å; L13-I178 HydrophobicContact CD1-CD1 3.55Å; L13-I178 HydrophobicContact CD1-CG1 4.14Å; L13-L460 HydrophobicContact CB-CB 4.44Å; L13-L460 HydrophobicContact CD2-CB 4.21Å; L13-L460 HydrophobicContact CD2-CD1 4.03Å; L13-L460 HydrophobicContact CD2-CG 4.37Å; L13-L460 PolarHBondContact N-O 2.87Å; L13-L460 PolarHBondContact O-N 3.01Å; L13-F462 HydrophobicContact CB-CD2 3.89Å; L13-F462 HydrophobicContact CB-CE2 4.19Å; L13-F462 HydrophobicContact CD1-CD2 4.34Å; L13-F462 HydrophobicContact CD1-CE2 4.29Å; L13-F462 HydrophobicContact CD2-CE2 4.34Å
14T97.8Very high84.8Confident22 Ų2242.1 Ų42.114%0.13523%0.227CC..EExtended strand (participates in β ladder)trans-116.1125.8179.5-49.20000110.2L31 T32 P457 V458 N459T14-L31 WeakPolarHBondContact O-CA 3.4Å; T14-T32 WeakPolarHBondContact CB-OG1 3.26Å; T14-T32 PolarHBondContact N-O 2.93Å; T14-T32 PolarHBondContact O-N 3.04Å; T14-P457 HydrophobicContact CG2-CB 3.47Å; T14-P457 VanDerWaalsContact CG2-CB 3.47Å; T14-V458 WeakPolarHBondContact CA-O 3.46Å; T14-N459 WeakPolarHBondContact CG2-OD1 3.15Å; T14-N459 PolarHBondContact OG1-OD1 3.38Å
15I98.5Very high87.4Confident0 Ų039.4 Ų39.40%020%0.2CC..EExtended strand (participates in β ladder)trans-114.2115.7173.6-61.9163.6000107.6L13 I29 L31 V204 I206 V419 P457 V458 L460L13-I15 HydrophobicContact CD2-CD1 3.66Å; L13-I15 HydrophobicContact CD2-CG1 3.71Å; I15-I29 HydrophobicContact CG2-CG2 3.67Å; I15-L31 HydrophobicContact CG1-CD1 3.74Å; I15-V204 HydrophobicContact CD1-CG1 3.72Å; I15-I206 HydrophobicContact CD1-CD1 3.96Å; I15-I206 HydrophobicContact CD1-CG1 4.18Å; I15-I206 HydrophobicContact CG1-CD1 4.26Å; I15-I206 HydrophobicContact CG2-CD1 3.96Å; I15-V419 HydrophobicContact CD1-CG2 3.88Å; I15-V419 HydrophobicContact CG2-CG1 4.3Å; I15-P457 CarbonylContact O-C 3.32Å; I15-P457 WeakPolarHBondContact O-CA 3.33Å; I15-V458 HydrophobicContact CB-CB 4.43Å; I15-V458 PolarHBondContact N-O 2.91Å; I15-V458 PolarHBondContact O-N 2.8Å; I15-L460 HydrophobicContact CD1-CD1 4.46Å
16M98.4Very high90Very high26 Ų2636.3 Ų36.313%0.12818%0.181CC..EExtended strand (participates in β ladder)trans-125.9106.3-177.7-174.7170.576.600110.1L18 L30 P457M16-L18 HydrophobicContact CE-CD2 3.56Å; M16-L18 HydrophobicContact CG-CD2 4.4Å; M16-L18 PolarHBondContact O-N 3.1Å; M16-L30 HydrophobicContact CB-CB 4.5Å; M16-L30 HydrophobicContact CE-CD2 3.81Å; M16-L30 PolarHBondContact N-O 3.48Å; M16-L30 PolarHBondContact O-N 3.28Å; M16-P457 HydrophobicContact CB-CB 4.25Å; M16-P457 HydrophobicContact CG-CB 4.43Å; M16-P457 HydrophobicContact SD-CB 4.49Å
17P98.6Very high92.1Very high0 Ų030.1 Ų30.10%014%0.143CC..EExtended strand (participates in β ladder)trans-63.5125.5169.4-13.526.2000109.6V421 P452 N454 C455P17-V421 HydrophobicContact CG-CG1 4.35Å; P17-P452 HydrophobicContact CG-CB 3.86Å; P17-P452 HydrophobicContact CG-CG 3.52Å; P17-N454 CarbonylContact O-C 3.55Å; P17-N454 WeakPolarHBondContact O-CA 2.94Å; P17-C455 PolarHBondContact O-N 3.25Å
18L98.3Very high94Very high0 Ų024 Ų240%012%0.119CC..EExtended strand (participates in β ladder)trans-98-9.3169.5-58174.8000111.4M16 C28 L30 P55 F56 A59 I60M16-L18 HydrophobicContact CE-CD2 3.56Å; M16-L18 HydrophobicContact CG-CD2 4.4Å; M16-L18 PolarHBondContact O-N 3.1Å; L18-C28 WeakPolarHBondContact CA-O 3.39Å; L18-C28 HydrophobicContact CB-CB 4.21Å; L18-C28 PolarHBondContact N-O 3.1Å; L18-L30 HydrophobicContact CD1-CB 4.08Å; L18-L30 HydrophobicContact CG-CB 4.37Å; L18-P55 HydrophobicContact CB-CB 4.15Å; L18-P55 WeakPolarHBondContact O-CA 3.5Å; L18-P55 WeakPolarHBondContact O-CB 3.3Å; L18-F56 WeakPolarHBondContact O-CD2 3.48Å; L18-F56 PolarHBondContact O-N 2.97Å; L18-A59 HydrophobicContact CD2-CB 3.97Å; L18-I60 HydrophobicContact CD1-CD1 3.53Å; L18-I60 HydrophobicContact CD1-CG1 3.3Å
19G97.8Very high95.3Very high0 Ų019.7 Ų19.70%010%0.099CC..EExtended strand (participates in β ladder)trans-164.8166.8169.700000108.4G21 R26 C28 N454G19-G21 PolarHBondContact O-N 3.17Å; G19-G21 VanDerWaalsContact O-N 3.16Å; G19-R26 VanDerWaalsContact CA-O 3.29Å; G19-R26 WeakPolarHBondContact CA-O 3.45Å; G19-C28 PolarHBondContact N-O 3.13Å; G19-N454 VanDerWaalsContact C-OD1 3.26Å; G19-N454 WeakPolarHBondContact CA-OD1 3.2Å; G19-N454 PolarHBondContact N-OD1 3.21Å
20A97.8Very high96.3Very high1 Ų113.1 Ų13.11%0.0087%0.069CC..SBendtrans60.213.2-172.400000115.4Q22 E23 G25 V421 H422A20-Q22 PolarHBondContact O-N 2.83Å; A20-E23 CarbonylContact C-O 3.54Å; A20-E23 WeakPolarHBondContact CA-O 3.5Å; A20-E23 PolarHBondContact N-OE1 3.37Å; A20-G25 PolarHBondContact N-O 3.13Å; A20-V421 CarbonylContact O-C 3.59Å; A20-H422 HydrophobicContact CB-CB 4.24Å; A20-H422 PolarHBondContact O-N 3.33Å
21G97.6Very high97Very high5 Ų511.3 Ų11.35%0.0526%0.056CC..SBendtrans-84.3103.5170.200000111.1G19 E23 P452 N454G19-G21 PolarHBondContact O-N 3.17Å; G19-G21 VanDerWaalsContact O-N 3.16Å; G21-E23 VanDerWaalsContact C-N 3.26Å; G21-E23 PolarHBondContact O-N 3.2Å; G21-P452 CarbonylContact C-O 3.58Å; G21-P452 WeakPolarHBondContact CA-O 3.13Å; G21-N454 WeakPolarHBondContact CA-OD1 3.18Å; G21-N454 PolarHBondContact N-OD1 3.25Å; G21-N454 PolarHBondContact O-N 3.09Å
22Q97.1Very high97.4Very high28 Ų2812 Ų1213%0.1316%0.061CC..SBendtrans60.128.4-171-56.8-171.6-300114.6A20 G423 Q425 M428 T451 K453A20-Q22 PolarHBondContact O-N 2.83Å; Q22-G423 CarbonylContact C-O 3.57Å; Q22-Q425 HydrophobicContact CB-CB 4.11Å; Q22-Q425 HydrophobicContact CB-CG 4.36Å; Q22-Q425 PolarHBondContact O-N 3Å; Q22-M428 HydrophobicContact CG-SD 3.98Å; Q22-T451 PolarHBondContact NE2-O 3.25Å; Q22-K453 HydrophobicContact CB-CG 4.48Å; Q22-K453 HydrophobicContact CG-CG 4.03Å; Q22-K453 VanDerWaalsContact OE1-CG 3.23Å
23E96.1Very high97.5Very high33 Ų339.3 Ų9.315%0.1545%0.049CC..SBendtrans-148.1168.7171.968.5-174.1-179.300110.6A20 G21 R26 H422 G423 N454A20-E23 CarbonylContact C-O 3.54Å; A20-E23 WeakPolarHBondContact CA-O 3.5Å; A20-E23 PolarHBondContact N-OE1 3.37Å; G21-E23 VanDerWaalsContact C-N 3.26Å; G21-E23 PolarHBondContact O-N 3.2Å; E23-R26 IonicContact OE1-CZ 3.07Å; E23-R26 IonicContact OE1-NE 2.61Å; E23-R26 PolarHBondContact OE1-NE 2.93Å; E23-R26 IonicContact OE1-NH2 2.77Å; E23-R26 PolarHBondContact OE1-NH2 3.41Å; E23-R26 IonicContact OE2-CZ 3.85Å; E23-R26 IonicContact OE2-NE 3.83Å; E23-R26 IonicContact OE2-NH2 3.68Å; E23-R26 PolarHBondContact OE2-NH2 3.18Å; E23-H422 WeakPolarHBondContact O-CA 3.38Å; E23-G423 CarbonylContact C-O 3.54Å; E23-G423 WeakPolarHBondContact CA-O 3.43Å; E23-G423 PolarHBondContact N-O 3.48Å; E23-G423 PolarHBondContact O-N 3.38Å; E23-N454 PolarHBondContact OE1-ND2 3.34Å; E23-N454 PolarHBondContact OE2-ND2 3.3Å
24V95.3Very high97.3Very high11 Ų1111.3 Ų11.37%0.0676%0.058CC..SBendtrans-108.2126.6168.9174.20000108.2Y361 V363V24-Y361 HydrophobicContact CB-CE1 3.98Å; V24-Y361 HydrophobicContact CG1-CD1 4.05Å; V24-Y361 HydrophobicContact CG1-CE1 3.78Å; V24-Y361 HydrophobicContact CG2-CE1 4.01Å; V24-V363 HydrophobicContact CG1-CG2 4.1Å
25G94.7Very high97Very high0 Ų013.8 Ų13.80%09%0.088CC..SBendtrans119.5158-175.700000114A20 S27A20-G25 PolarHBondContact N-O 3.13Å; G25-S27 PolarHBondContact O-N 3.02Å
26R96.8Very high96.8Very high24 Ų2415.7 Ų15.79%0.09110%0.096CC..SBendtrans47.638.3179.160.4176.8171.1-166.1-3.6114.6G19 E23 C28 I44 H45 E52 L54 P55G19-R26 VanDerWaalsContact CA-O 3.29Å; G19-R26 WeakPolarHBondContact CA-O 3.45Å; E23-R26 IonicContact OE1-CZ 3.07Å; E23-R26 IonicContact OE1-NE 2.61Å; E23-R26 PolarHBondContact OE1-NE 2.93Å; E23-R26 IonicContact OE1-NH2 2.77Å; E23-R26 PolarHBondContact OE1-NH2 3.41Å; E23-R26 IonicContact OE2-CZ 3.85Å; E23-R26 IonicContact OE2-NE 3.83Å; E23-R26 IonicContact OE2-NH2 3.68Å; E23-R26 PolarHBondContact OE2-NH2 3.18Å; R26-C28 PolarHBondContact O-N 3.48Å; R26-C28 VanDerWaalsContact O-N 3.13Å; R26-I44 PolarHBondContact N-O 3.38Å; R26-H45 HydrophobicContact CB-CB 4.04Å; R26-H45 HydrophobicContact CG-CB 3.88Å; R26-E52 PolarHBondContact NH1-O 3.39Å; R26-L54 WeakPolarHBondContact CD-O 3.46Å; R26-P55 HydrophobicContact CB-CG 4.22Å
27S98.6Very high96.8Very high1 Ų115.9 Ų15.91%0.00710%0.096CC..  trans-48.6119.9177.7-58.20000110.9G25 D41 C42 G43 D77 H78 H422G25-S27 PolarHBondContact O-N 3.02Å; S27-D41 CarbonylContact O-C 3.51Å; S27-C42 CarbonylContact O-C 3.54Å; S27-C42 WeakPolarHBondContact O-CA 3.36Å; S27-C42 PolarHBondContact O-N 2.94Å; S27-G43 PolarHBondContact O-N 3.31Å; S27-D77 WeakPolarHBondContact CA-O 3.44Å; S27-D77 WeakPolarHBondContact CB-O 3.17Å; S27-D77 PolarHBondContact N-O 2.96Å; S27-D77 PolarHBondContact OG-O 2.87Å; S27-H78 PolarHBondContact OG-CE1 3.37Å; S27-H78 VanDerWaalsContact OG-CE1 3.24Å; S27-H78 PolarHBondContact OG-NE2 2.95Å; S27-H422 PolarHBondContact OG-CD2 3.07Å
28C98.7Very high96.7Very high1 Ų115.9 Ų15.91%0.00710%0.096CC..EExtended strand (participates in β ladder)trans-163.6116.7176.8-171.50000108.4L18 G19 R26 L40 D41 P55L18-C28 WeakPolarHBondContact CA-O 3.39Å; L18-C28 HydrophobicContact CB-CB 4.21Å; L18-C28 PolarHBondContact N-O 3.1Å; G19-C28 PolarHBondContact N-O 3.13Å; R26-C28 PolarHBondContact O-N 3.48Å; R26-C28 VanDerWaalsContact O-N 3.13Å; C28-L40 CarbonylContact C-O 3.55Å; C28-L40 WeakPolarHBondContact CA-O 3.32Å; C28-D41 WeakPolarHBondContact CA-O 3.48Å; C28-D41 PolarHBondContact SG-O 3.26Å; C28-D41 VanDerWaalsContact SG-O 3.37Å; C28-P55 HydrophobicContact CB-CB 3.48Å; C28-P55 VanDerWaalsContact CB-CB 3.48Å; C28-P55 HydrophobicContact CB-CG 3.45Å; C28-P55 VanDerWaalsContact CB-CG 3.45Å
29I98.7Very high96.8Very high1 Ų115.9 Ų15.91%0.00510%0.096CC..EExtended strand (participates in β ladder)trans-125.1123.6-176.1-59.1147.9000108.5I15 I39 L40 Y180 I206 V421I15-I29 HydrophobicContact CG2-CG2 3.67Å; I29-I39 WeakPolarHBondContact O-CA 3.38Å; I29-L40 HydrophobicContact CB-CB 4.23Å; I29-L40 HydrophobicContact CG2-CD1 4.48Å; I29-L40 PolarHBondContact N-O 3.19Å; I29-L40 PolarHBondContact O-N 3.16Å; I29-Y180 HydrophobicContact CD1-CD2 4.29Å; I29-Y180 HydrophobicContact CD1-CE2 3.64Å; I29-I206 HydrophobicContact CD1-CG2 4Å; I29-V421 HydrophobicContact CD1-CB 4.36Å; I29-V421 HydrophobicContact CD1-CG1 4.07Å; I29-V421 HydrophobicContact CD1-CG2 4.03Å; I29-V421 HydrophobicContact CG1-CG1 4.44Å
30L98.4Very high96.8Very high5 Ų515.9 Ų15.93%0.02610%0.096CC..EExtended strand (participates in β ladder)trans-89.6116.5173.6-179.268.2000109.4M16 L18 T32 K37 I39 I60M16-L30 HydrophobicContact CB-CB 4.5Å; M16-L30 HydrophobicContact CE-CD2 3.81Å; M16-L30 PolarHBondContact N-O 3.48Å; M16-L30 PolarHBondContact O-N 3.28Å; L18-L30 HydrophobicContact CD1-CB 4.08Å; L18-L30 HydrophobicContact CG-CB 4.37Å; L30-T32 HydrophobicContact CD1-CG2 4.28Å; L30-T32 HydrophobicContact CD2-CG2 4.16Å; L30-T32 HydrophobicContact CG-CG2 3.94Å; L30-K37 HydrophobicContact CD1-CB 4.49Å; L30-I39 HydrophobicContact CD1-CG1 4.21Å; L30-I60 HydrophobicContact CD1-CG2 4.21Å; L30-I60 HydrophobicContact CD2-CG1 4.4Å; L30-I60 HydrophobicContact CD2-CG2 4.28Å
31L98Very high96.8Very high0 Ų015.8 Ų15.80%010%0.096CC..EExtended strand (participates in β ladder)trans-102.9126.917217368.1000109.2L13 T14 I15 K37 I38 I171 I178L13-L31 HydrophobicContact CD1-CD1 4.1Å; L13-L31 HydrophobicContact CD2-CD1 4.13Å; L13-L31 HydrophobicContact CG-CD1 3.99Å; T14-L31 WeakPolarHBondContact O-CA 3.4Å; I15-L31 HydrophobicContact CG1-CD1 3.74Å; L31-K37 WeakPolarHBondContact O-CA 3.29Å; L31-I38 HydrophobicContact CB-CB 4.29Å; L31-I38 HydrophobicContact CD2-CB 4.49Å; L31-I38 HydrophobicContact CD2-CD1 4.05Å; L31-I38 PolarHBondContact N-O 3.47Å; L31-I38 PolarHBondContact O-N 3.3Å; L31-I171 HydrophobicContact CD2-CD1 4.43Å; L31-I178 HydrophobicContact CD1-CD1 3.85Å; L31-I178 HydrophobicContact CD2-CD1 3.46Å; L31-I178 VanDerWaalsContact CD2-CD1 3.46Å; L31-I178 HydrophobicContact CG-CD1 4.24Å
32T96.9Very high96.9Very high35 Ų3515.6 Ų15.622%0.2159%0.094CC..EExtended strand (participates in β ladder)trans-128.5128.6174.169.90000111.5L13 T14 L30 K36 K37L13-T32 WeakPolarHBondContact CA-O 3.11Å; T14-T32 WeakPolarHBondContact CB-OG1 3.26Å; T14-T32 PolarHBondContact N-O 2.93Å; T14-T32 PolarHBondContact O-N 3.04Å; L30-T32 HydrophobicContact CD1-CG2 4.28Å; L30-T32 HydrophobicContact CD2-CG2 4.16Å; L30-T32 HydrophobicContact CG-CG2 3.94Å; T32-K36 VanDerWaalsContact CA-O 3.24Å; T32-K36 WeakPolarHBondContact CA-O 3.37Å; T32-K37 HydrophobicContact CG2-CB 4.43Å; T32-K37 HydrophobicContact CG2-CG 3.85Å
33F96.2Very high96.9Very high3 Ų314.2 Ų14.21%0.0139%0.087CC..EExtended strand (participates in β ladder)trans-158.6137.9177.6-173.7-130.4000111L13 G35 K36 I173 A174 V176 F462L13-F33 HydrophobicContact CB-CB 4.34Å; L13-F33 HydrophobicContact CB-CD2 3.61Å; L13-F33 HydrophobicContact CB-CE2 4.1Å; L13-F33 HydrophobicContact CB-CG 4.07Å; L13-F33 HydrophobicContact CD1-CB 4.03Å; L13-F33 HydrophobicContact CD1-CD1 4.2Å; L13-F33 HydrophobicContact CD1-CD2 4.3Å; L13-F33 HydrophobicContact CD1-CG 3.94Å; L13-F33 HydrophobicContact CG-CB 4.23Å; L13-F33 HydrophobicContact CG-CD2 4.36Å; L13-F33 HydrophobicContact CG-CG 4.32Å; F33-G35 PolarHBondContact O-N 3.08Å; F33-G35 VanDerWaalsContact O-N 3.13Å; F33-K36 PolarHBondContact N-O 3.23Å; F33-K36 VanDerWaalsContact N-O 3.08Å; F33-K36 WeakPolarHBondContact O-CB 3.25Å; F33-K36 PolarHBondContact O-N 3.34Å; F33-I173 HydrophobicContact CB-CD1 4.38Å; F33-I173 HydrophobicContact CD1-CB 3.88Å; F33-I173 HydrophobicContact CD1-CG2 3.69Å; F33-I173 HydrophobicContact CE1-CG2 4.39Å; F33-I173 WeakPolarHBondContact CE1-O 3.5Å; F33-A174 HydrophobicContact CE1-CB 4.42Å; F33-V176 HydrophobicContact CE1-CB 3.85Å; F33-V176 HydrophobicContact CE1-CG2 3.53Å; F33-V176 HydrophobicContact CZ-CB 4.46Å; F33-V176 HydrophobicContact CZ-CG2 3.72Å; F33-F462 HydrophobicContact CE2-CB 4.33Å; F33-F462 HydrophobicContact CZ-CB 3.97Å
34K92.4Very high96.8Very high41 Ų4112.9 Ų12.918%0.1788%0.081CC..THydrogen-bonded Turntrans47.140.8-178.5-56-131.9166.6-75.70114.6S10 D11 K36 I173 A174 F494S10-K34 WeakPolarHBondContact O-CG 3.29Å; S10-K34 PolarHBondContact O-N 2.91Å; S10-K34 PolarHBondContact O-NZ 2.97Å; D11-K34 IonicContact OD1-NZ 3.94Å; D11-K34 PolarHBondContact OD1-NZ 3.28Å; K34-K36 PolarHBondContact O-N 3.11Å; K34-I173 HydrophobicContact CB-CG2 4.47Å; K34-A174 HydrophobicContact CD-CB 3.56Å; K34-A174 HydrophobicContact CG-CB 4.19Å; K34-F494 HydrophobicContact CB-CE1 3.47Å; K34-F494 VanDerWaalsContact CB-CE1 3.47Å; K34-F494 HydrophobicContact CB-CZ 3.7Å; K34-F494 HydrophobicContact CD-CD1 4.08Å; K34-F494 HydrophobicContact CD-CE1 3.81Å; K34-F494 HydrophobicContact CG-CE1 4.12Å
35G92.2Very high96.7Very high75 Ų7513.3 Ų13.377%0.7738%0.083SC*.THydrogen-bonded Turntrans75.45.2-179.600000115.2F33F33-G35 PolarHBondContact O-N 3.08Å; F33-G35 VanDerWaalsContact O-N 3.13Å
36K95.1Very high96.3Very high39 Ų3915 Ų1517%0.179%0.093CC..EExtended strand (participates in β ladder)trans-94.6145.6174.1-56.2-64.9160.4178.30110.8T32 F33 K34 D67 N151 I153 I173 F494T32-K36 VanDerWaalsContact CA-O 3.24Å; T32-K36 WeakPolarHBondContact CA-O 3.37Å; F33-K36 PolarHBondContact N-O 3.23Å; F33-K36 VanDerWaalsContact N-O 3.08Å; F33-K36 WeakPolarHBondContact O-CB 3.25Å; F33-K36 PolarHBondContact O-N 3.34Å; K34-K36 PolarHBondContact O-N 3.11Å; K36-D67 VanDerWaalsContact CA-OD2 3.3Å; K36-D67 WeakPolarHBondContact CA-OD2 3.47Å; K36-N151 WeakPolarHBondContact CE-O 3.44Å; K36-N151 PolarHBondContact NZ-O 3.31Å; K36-I153 HydrophobicContact CB-CD1 3.91Å; K36-I153 HydrophobicContact CB-CG1 4.12Å; K36-I153 HydrophobicContact CD-CD1 4.17Å; K36-I153 HydrophobicContact CD-CG1 4.16Å; K36-I153 HydrophobicContact CG-CD1 4.2Å; K36-I153 HydrophobicContact CG-CG1 4Å; K36-I173 HydrophobicContact CB-CD1 4.5Å; K36-I173 HydrophobicContact CG-CG2 4.44Å; K36-F494 HydrophobicContact CG-CE2 4.39Å; K36-F494 HydrophobicContact CG-CZ 4.01Å
37K96.8Very high95.7Very high30 Ų3015 Ų1513%0.1310%0.1CC..EExtended strand (participates in β ladder)trans-127.6124.3176.9-63.4-178.1-171.9164.50110L30 L31 T32 P61 T65 T66 D67 L68L30-K37 HydrophobicContact CD1-CB 4.49Å; L31-K37 WeakPolarHBondContact O-CA 3.29Å; T32-K37 HydrophobicContact CG2-CB 4.43Å; T32-K37 HydrophobicContact CG2-CG 3.85Å; K37-P61 PolarHBondContact NZ-O 3.48Å; K37-T65 PolarHBondContact NZ-OG1 3.11Å; K37-T66 HydrophobicContact CB-CG2 4.48Å; K37-D67 PolarHBondContact N-OD2 3.38Å; K37-D67 PolarHBondContact O-N 3.23Å; K37-L68 PolarHBondContact O-N 3.4Å
38I98.3Very high95.2Very high0 Ų017.9 Ų17.90%012%0.116CC..EExtended strand (participates in β ladder)trans-123.6135.1179.3-52.1176000108.7L31 L40 L68 L70 I153 I171 I173L31-I38 HydrophobicContact CB-CB 4.29Å; L31-I38 HydrophobicContact CD2-CB 4.49Å; L31-I38 HydrophobicContact CD2-CD1 4.05Å; L31-I38 PolarHBondContact N-O 3.47Å; L31-I38 PolarHBondContact O-N 3.3Å; I38-L40 HydrophobicContact CG2-CD2 3.74Å; I38-L40 HydrophobicContact CG2-CG 4.48Å; I38-L68 CarbonylContact C-O 3.59Å; I38-L68 VanDerWaalsContact CA-O 3.3Å; I38-L68 WeakPolarHBondContact CA-O 3.47Å; I38-L68 HydrophobicContact CD1-CD2 4.47Å; I38-L68 HydrophobicContact CG1-CB 4.25Å; I38-L68 HydrophobicContact CG2-CB 4.21Å; I38-L68 HydrophobicContact CG2-CD2 4.37Å; I38-L68 HydrophobicContact CG2-CG 4.45Å; I38-L70 HydrophobicContact CG2-CD1 4.45Å; I38-I153 HydrophobicContact CD1-CD1 3.93Å; I38-I153 HydrophobicContact CD1-CG1 4.37Å; I38-I153 HydrophobicContact CD1-CG2 3.46Å; I38-I153 VanDerWaalsContact CD1-CG2 3.46Å; I38-I153 HydrophobicContact CG1-CD1 3.83Å; I38-I153 HydrophobicContact CG1-CG2 4.46Å; I38-I171 HydrophobicContact CD1-CG2 3.68Å; I38-I173 HydrophobicContact CD1-CD1 3.76Å
39I98.5Very high94.4Very high0 Ų027 Ų270%015%0.15CC..EExtended strand (participates in β ladder)trans-103.3122.6169.7-62.6170.1000108.1I29 L30 D41 I60 T66 L68 I69 L70 L85I29-I39 WeakPolarHBondContact O-CA 3.38Å; L30-I39 HydrophobicContact CD1-CG1 4.21Å; I39-D41 VanDerWaalsContact CG2-O 3.27Å; I39-D41 WeakPolarHBondContact CG2-O 3.3Å; I39-I60 HydrophobicContact CD1-CD1 3.71Å; I39-I60 HydrophobicContact CG1-CD1 4.27Å; I39-T66 HydrophobicContact CD1-CG2 3.79Å; I39-T66 HydrophobicContact CG1-CG2 3.81Å; I39-L68 PolarHBondContact N-O 2.87Å; I39-I69 HydrophobicContact CB-CG1 4.16Å; I39-I69 HydrophobicContact CD1-CG1 4.38Å; I39-I69 CarbonylContact O-C 3.58Å; I39-I69 VanDerWaalsContact O-CA 3.3Å; I39-I69 WeakPolarHBondContact O-CA 3.34Å; I39-L70 PolarHBondContact O-N 3.36Å; I39-L85 HydrophobicContact CD1-CD1 4.22Å; I39-L85 HydrophobicContact CD1-CD2 4.1Å; I39-L85 HydrophobicContact CG2-CD2 4.33Å
40L98.7Very high93.6Very high0 Ų030.1 Ų30.10%017%0.166CC..EExtended strand (participates in β ladder)trans-101.5116.8174.6-50173.6000108.2C28 I29 I38 L70 I171 Y180 I206C28-L40 CarbonylContact C-O 3.55Å; C28-L40 WeakPolarHBondContact CA-O 3.32Å; I29-L40 HydrophobicContact CB-CB 4.23Å; I29-L40 HydrophobicContact CG2-CD1 4.48Å; I29-L40 PolarHBondContact N-O 3.19Å; I29-L40 PolarHBondContact O-N 3.16Å; I38-L40 HydrophobicContact CG2-CD2 3.74Å; I38-L40 HydrophobicContact CG2-CG 4.48Å; L40-L70 HydrophobicContact CD2-CB 4.17Å; L40-L70 HydrophobicContact CD2-CD1 4.14Å; L40-I171 HydrophobicContact CD1-CD1 4.44Å; L40-I171 HydrophobicContact CD2-CD1 3.49Å; L40-I171 VanDerWaalsContact CD2-CD1 3.49Å; L40-Y180 HydrophobicContact CB-CD1 3.86Å; L40-Y180 HydrophobicContact CB-CE1 3.87Å; L40-Y180 HydrophobicContact CB-CG 4.31Å; L40-Y180 HydrophobicContact CD1-CD1 4.19Å; L40-Y180 HydrophobicContact CD1-CD2 4.31Å; L40-Y180 HydrophobicContact CD1-CG 3.87Å; L40-Y180 HydrophobicContact CD2-CD1 4.4Å; L40-Y180 HydrophobicContact CG-CD1 4.38Å; L40-I206 HydrophobicContact CD1-CD1 3.99Å
41D98.7Very high93.1Very high0 Ų038 Ų380%020%0.196CC..  trans56.8160.8-171.5-70.9-35000115.2S27 C28 I39 L70 I71 S72 H78 Y180S27-D41 CarbonylContact O-C 3.51Å; C28-D41 WeakPolarHBondContact CA-O 3.48Å; C28-D41 PolarHBondContact SG-O 3.26Å; C28-D41 VanDerWaalsContact SG-O 3.37Å; I39-D41 VanDerWaalsContact CG2-O 3.27Å; I39-D41 WeakPolarHBondContact CG2-O 3.3Å; D41-L70 PolarHBondContact N-O 2.97Å; D41-I71 VanDerWaalsContact OD1-CA 3.23Å; D41-I71 WeakPolarHBondContact OD1-CA 3.22Å; D41-S72 VanDerWaalsContact CG-OG 3.27Å; D41-S72 PolarHBondContact OD1-N 3.33Å; D41-S72 PolarHBondContact OD1-OG 3.03Å; D41-S72 VanDerWaalsContact OD1-OG 3.09Å; D41-S72 WeakPolarHBondContact OD2-CB 3.47Å; D41-S72 PolarHBondContact OD2-OG 3.19Å; D41-H78 HydrophobicContact CB-CB 4.26Å; D41-H78 WeakPolarHBondContact CB-O 3.48Å; D41-H78 IonicContact OD2-CE1 2.88Å; D41-H78 IonicContact OD2-CG 2.71Å; D41-H78 IonicContact OD2-ND1 3.39Å; D41-H78 PolarHBondContact OD2-ND1 3.32Å; D41-Y180 WeakPolarHBondContact OD2-CE1 3.33Å; D41-Y180 VanDerWaalsContact OD2-CZ 3.26Å; D41-Y180 PolarHBondContact OD2-OH 3.19Å
42C98.2Very high92.7Very high0 Ų044.8 Ų44.80%023%0.227CC..  trans-154.585.9170.5-174.30000109.3S27 H78 C79 G80 G81 L82 L85S27-C42 CarbonylContact O-C 3.54Å; S27-C42 WeakPolarHBondContact O-CA 3.36Å; S27-C42 PolarHBondContact O-N 2.94Å; C42-H78 CarbonylContact C-O 3.49Å; C42-H78 PolarHBondContact N-O 3.47Å; C42-C79 CarbonylContact O-C 3.59Å; C42-C79 VanDerWaalsContact O-CA 3.32Å; C42-C79 WeakPolarHBondContact O-CA 3.06Å; C42-G80 PolarHBondContact O-N 2.86Å; C42-G81 CarbonylContact O-C 3.47Å; C42-G81 VanDerWaalsContact O-CA 3.27Å; C42-G81 WeakPolarHBondContact O-CA 3.4Å; C42-G81 PolarHBondContact O-N 2.85Å; C42-G81 VanDerWaalsContact SG-C 3.55Å; C42-L82 PolarHBondContact O-N 3.06Å; C42-L85 HydrophobicContact CB-CD2 3.83Å
43G97.5Very high92.5Very high0 Ų043.3 Ų43.30%022%0.219CC..  trans-92.4-169.6-178.400000116.7S27 P55 L76 D77 H78 G81S27-G43 PolarHBondContact O-N 3.31Å; G43-P55 WeakPolarHBondContact O-CD 3.39Å; G43-L76 CarbonylContact C-O 3.51Å; G43-L76 VanDerWaalsContact CA-O 3.27Å; G43-L76 WeakPolarHBondContact CA-O 3.47Å; G43-D77 VanDerWaalsContact CA-C 3.41Å; G43-D77 VanDerWaalsContact CA-O 3.27Å; G43-D77 WeakPolarHBondContact CA-O 3.45Å; G43-H78 PolarHBondContact N-O 3.08Å; G43-G81 VanDerWaalsContact C-N 3.33Å; G43-G81 WeakPolarHBondContact O-CA 3.38Å; G43-G81 PolarHBondContact O-N 3.03Å
44I94.9Very high92.5Very high4 Ų443.7 Ų43.72%0.02122%0.221CC..  trans-124.3154.816455.2172.1000110.9R26 P46 S53 L54 L76 D77 F112 L126R26-I44 PolarHBondContact N-O 3.38Å; I44-P46 WeakPolarHBondContact O-CD 3.42Å; I44-S53 CarbonylContact C-O 3.51Å; I44-S53 VanDerWaalsContact CA-O 3.25Å; I44-S53 WeakPolarHBondContact CA-O 3.27Å; I44-L54 HydrophobicContact CG2-CD2 4.23Å; I44-L76 HydrophobicContact CD1-CB 4.26Å; I44-L76 HydrophobicContact CG1-CB 4.1Å; I44-L76 WeakPolarHBondContact CG1-O 3.28Å; I44-L76 PolarHBondContact N-O 3.1Å; I44-D77 WeakPolarHBondContact O-CA 3.28Å; I44-F112 HydrophobicContact CD1-CD1 4.17Å; I44-F112 HydrophobicContact CD1-CD2 3.88Å; I44-F112 HydrophobicContact CD1-CE1 3.63Å; I44-F112 HydrophobicContact CD1-CE2 3.29Å; I44-F112 HydrophobicContact CD1-CG 4.27Å; I44-F112 HydrophobicContact CD1-CZ 3.16Å; I44-L126 HydrophobicContact CG2-CD1 3.83Å
45H93.3Very high92.7Very high21 Ų2142 Ų4210%0.09721%0.214CC..  trans-88.5114.1176-170.5-70.2000110R26 G47 L48 S53R26-H45 HydrophobicContact CB-CB 4.04Å; R26-H45 HydrophobicContact CG-CB 3.88Å; H45-G47 WeakPolarHBondContact ND1-CA 3.28Å; H45-G47 PolarHBondContact ND1-N 2.95Å; H45-G47 PolarHBondContact O-N 3.06Å; H45-L48 HydrophobicContact CB-CB 4.16Å; H45-L48 HydrophobicContact CB-CD1 4.03Å; H45-L48 HydrophobicContact CB-CG 4.18Å; H45-L48 PolarHBondContact ND1-N 3.17Å; H45-L48 PolarHBondContact O-N 3.48Å; H45-L48 VanDerWaalsContact O-N 3.08Å; H45-S53 PolarHBondContact N-O 2.86Å; H45-S53 WeakPolarHBondContact O-CB 3.25Å
46P86.2Confident92.9Very high35 Ų3542.8 Ų42.823%0.22720%0.197CC..THydrogen-bonded Turntrans-65.3-23.2-174-23.835.4000115.1I44 M335 V363I44-P46 WeakPolarHBondContact O-CD 3.42Å; P46-M335 HydrophobicContact CB-CE 4.19Å; P46-M335 HydrophobicContact CB-SD 3.54Å; P46-M335 VanDerWaalsContact CB-SD 3.54Å; P46-M335 HydrophobicContact CG-CE 4.2Å; P46-M335 HydrophobicContact CG-SD 4.2Å; P46-V363 HydrophobicContact CG-CG2 4.41Å
47G84.4Confident92.9Very high23 Ų2341.5 Ų41.524%0.23719%0.191CC..THydrogen-bonded Turntrans-85.3-6.6175.800000115.2H45H45-G47 WeakPolarHBondContact ND1-CA 3.28Å; H45-G47 PolarHBondContact ND1-N 2.95Å; H45-G47 PolarHBondContact O-N 3.06Å
48L87Confident92.7Very high63 Ų6347.5 Ų47.533%0.3323%0.225SC..SBendtrans-114.3167.8180-62.2177.5000110.3H45 E52H45-L48 HydrophobicContact CB-CB 4.16Å; H45-L48 HydrophobicContact CB-CD1 4.03Å; H45-L48 HydrophobicContact CB-CG 4.18Å; H45-L48 PolarHBondContact ND1-N 3.17Å; H45-L48 PolarHBondContact O-N 3.48Å; H45-L48 VanDerWaalsContact O-N 3.08Å; L48-E52 HydrophobicContact CB-CB 4.5Å; L48-E52 VanDerWaalsContact CD1-O 3.28Å; L48-E52 WeakPolarHBondContact CD1-O 3.26Å
49R82.1Confident92.5Very high193 Ų19349.5 Ų49.573%0.72824%0.241SC*.  trans-122.9154.7-176.3-63.1-174.1179.5-163.2-0.3111.9E52 S53R49-E52 WeakPolarHBondContact O-CB 3.23Å; R49-E52 PolarHBondContact O-N 2.95Å; R49-S53 PolarHBondContact O-N 2.96Å
50N82.4Confident92.3Very high65 Ų6550 Ų5035%0.34824%0.244SC..G310 helixtrans53.2-137.7170.4-52.6-24.4000111.5E52 S53 Q124 L126N50-E52 PolarHBondContact O-N 2.97Å; N50-S53 PolarHBondContact O-N 2.9Å; N50-S53 PolarHBondContact O-OG 3.49Å; N50-Q124 PolarHBondContact ND2-OE1 3.49Å; N50-Q124 VanDerWaalsContact ND2-OE1 3.1Å; N50-Q124 PolarHBondContact OD1-O 3.49Å; N50-L126 WeakPolarHBondContact O-CD2 3.32Å
51R86.5Confident91.9Very high170 Ų17053.4 Ų53.464%0.64227%0.266SS*.G310 helixtrans-63.9-25.2-178.7-61.8-176.875.4114.20.5113.7S53 L54R51-S53 PolarHBondContact O-N 3.41Å; R51-L54 WeakPolarHBondContact O-CB 3.47Å; R51-L54 PolarHBondContact O-N 3.3Å; R51-L54 VanDerWaalsContact O-N 3.16Å
52E90.4Very high91.6Very high143 Ų14359.1 Ų59.167%0.66830%0.296SS*.G310 helixtrans-69-22.6179.1-59.4178.4173.300112.3R26 L48 R49 N50 L54R26-E52 PolarHBondContact NH1-O 3.39Å; L48-E52 HydrophobicContact CB-CB 4.5Å; L48-E52 VanDerWaalsContact CD1-O 3.28Å; L48-E52 WeakPolarHBondContact CD1-O 3.26Å; R49-E52 WeakPolarHBondContact O-CB 3.23Å; R49-E52 PolarHBondContact O-N 2.95Å; N50-E52 PolarHBondContact O-N 2.97Å; E52-L54 VanDerWaalsContact C-N 3.26Å; E52-L54 PolarHBondContact O-N 3.31Å
53S92.7Very high91.4Very high4 Ų460.3 Ų60.33%0.02830%0.303CS..G310 helixtrans-75.9-14.617574.20000113.1I44 H45 R49 N50 R51I44-S53 CarbonylContact C-O 3.51Å; I44-S53 VanDerWaalsContact CA-O 3.25Å; I44-S53 WeakPolarHBondContact CA-O 3.27Å; H45-S53 PolarHBondContact N-O 2.86Å; H45-S53 WeakPolarHBondContact O-CB 3.25Å; R49-S53 PolarHBondContact O-N 2.96Å; N50-S53 PolarHBondContact O-N 2.9Å; N50-S53 PolarHBondContact O-OG 3.49Å; R51-S53 PolarHBondContact O-N 3.41Å
54L95.5Very high91.2Very high11 Ų1166.4 Ų66.46%0.05833%0.331CS..SBendtrans-73.1157.8177.1-67.5171.3000111R26 I44 R51 E52 H84 L126R26-L54 WeakPolarHBondContact CD-O 3.46Å; I44-L54 HydrophobicContact CG2-CD2 4.23Å; R51-L54 WeakPolarHBondContact O-CB 3.47Å; R51-L54 PolarHBondContact O-N 3.3Å; R51-L54 VanDerWaalsContact O-N 3.16Å; E52-L54 VanDerWaalsContact C-N 3.26Å; E52-L54 PolarHBondContact O-N 3.31Å; L54-H84 VanDerWaalsContact CD1-CD2 3.5Å; L54-H84 WeakPolarHBondContact CD1-CD2 3.37Å; L54-H84 HydrophobicContact CD2-CB 4.17Å; L54-L126 HydrophobicContact CD1-CD2 3.73Å; L54-L126 HydrophobicContact CD2-CD1 4.2Å; L54-L126 HydrophobicContact CD2-CD2 4.18Å; L54-L126 HydrophobicContact CG-CD1 4.46Å; L54-L126 HydrophobicContact CG-CD2 3.8Å
55P97.2Very high91.1Very high7 Ų769.8 Ų69.85%0.04535%0.352CS..  trans-61.9166164.7-12.827000110.8L18 R26 C28 G43 I57L18-P55 HydrophobicContact CB-CB 4.15Å; L18-P55 WeakPolarHBondContact O-CA 3.5Å; L18-P55 WeakPolarHBondContact O-CB 3.3Å; R26-P55 HydrophobicContact CB-CG 4.22Å; C28-P55 HydrophobicContact CB-CB 3.48Å; C28-P55 VanDerWaalsContact CB-CB 3.48Å; C28-P55 HydrophobicContact CB-CG 3.45Å; C28-P55 VanDerWaalsContact CB-CG 3.45Å; G43-P55 WeakPolarHBondContact O-CD 3.39Å; P55-I57 HydrophobicContact CB-CG1 4.19Å; P55-I57 HydrophobicContact CG-CG1 4.42Å; P55-I57 PolarHBondContact O-N 3.17Å
56F97Very high91.3Very high91 Ų9169 Ų6940%0.39935%0.349SS..  trans-72.256.9174.2-61.7-76.8000111.8L18 D58 A59 N454 C455L18-F56 WeakPolarHBondContact O-CD2 3.48Å; L18-F56 PolarHBondContact O-N 2.97Å; F56-D58 PolarHBondContact O-N 2.64Å; F56-A59 HydrophobicContact CB-CB 4.46Å; F56-A59 VanDerWaalsContact O-CB 3.3Å; F56-A59 WeakPolarHBondContact O-CB 3.5Å; F56-A59 PolarHBondContact O-N 3.06Å; F56-N454 HydrophobicContact CD2-CB 3.87Å; F56-N454 HydrophobicContact CE2-CB 3.67Å; F56-C455 VanDerWaalsContact CB-SG 3.55Å
57I94.4Very high91.8Very high11 Ų1168.4 Ų68.46%0.05634%0.344CS..G310 helixtrans-58.1-32.4-176.4-63.1172.2000111.3P55 A59 I60 I63 L85 T89P55-I57 HydrophobicContact CB-CG1 4.19Å; P55-I57 HydrophobicContact CG-CG1 4.42Å; P55-I57 PolarHBondContact O-N 3.17Å; I57-A59 PolarHBondContact O-N 2.88Å; I57-A59 VanDerWaalsContact O-N 3.11Å; I57-I60 HydrophobicContact CG2-CD1 4.2Å; I57-I60 WeakPolarHBondContact O-CB 3.23Å; I57-I60 WeakPolarHBondContact O-CG1 3.31Å; I57-I60 PolarHBondContact O-N 3.07Å; I57-I63 HydrophobicContact CG2-CD1 3.55Å; I57-L85 HydrophobicContact CG2-CD1 4.16Å; I57-T89 HydrophobicContact CG2-CG2 3.97Å
58D92.8Very high92.4Very high156 Ų15667.3 Ų67.383%0.83433%0.332SS*.G310 helixtrans-62.4-16.9177.1-61.6-31.6000113F56 I60F56-D58 PolarHBondContact O-N 2.64Å; D58-I60 VanDerWaalsContact C-N 3.31Å
59A94.1Very high92.9Very high42 Ų4264.3 Ų64.335%0.34732%0.317SS..G310 helixtrans-83.7-1.317500000113.6L18 F56 I57 P61L18-A59 HydrophobicContact CD2-CB 3.97Å; F56-A59 HydrophobicContact CB-CB 4.46Å; F56-A59 VanDerWaalsContact O-CB 3.3Å; F56-A59 WeakPolarHBondContact O-CB 3.5Å; F56-A59 PolarHBondContact O-N 3.06Å; I57-A59 PolarHBondContact O-N 2.88Å; I57-A59 VanDerWaalsContact O-N 3.11Å; A59-P61 WeakPolarHBondContact O-CD 3.4Å
60I94.1Very high93.7Very high10 Ų1055.1 Ų55.15%0.05128%0.282CS..SBendtrans-80.3110.2174.8-58.1173.9000109L18 L30 I39 I57 D58 D62 I63L18-I60 HydrophobicContact CD1-CD1 3.53Å; L18-I60 HydrophobicContact CD1-CG1 3.3Å; L30-I60 HydrophobicContact CD1-CG2 4.21Å; L30-I60 HydrophobicContact CD2-CG1 4.4Å; L30-I60 HydrophobicContact CD2-CG2 4.28Å; I39-I60 HydrophobicContact CD1-CD1 3.71Å; I39-I60 HydrophobicContact CG1-CD1 4.27Å; I57-I60 HydrophobicContact CG2-CD1 4.2Å; I57-I60 WeakPolarHBondContact O-CB 3.23Å; I57-I60 WeakPolarHBondContact O-CG1 3.31Å; I57-I60 PolarHBondContact O-N 3.07Å; D58-I60 VanDerWaalsContact C-N 3.31Å; I60-D62 PolarHBondContact O-N 3.32Å; I60-I63 HydrophobicContact CB-CB 4.46Å; I60-I63 HydrophobicContact CB-CD1 4.45Å; I60-I63 HydrophobicContact CB-CG1 4.44Å; I60-I63 HydrophobicContact CD1-CD1 4.02Å; I60-I63 HydrophobicContact CD1-CG1 4.44Å; I60-I63 HydrophobicContact CG2-CB 4.15Å; I60-I63 HydrophobicContact CG2-CG1 4.12Å
61P91.1Very high94.5Very high72 Ų7252 Ų5247%0.46827%0.265SS..THydrogen-bonded Turntrans-65.8132.5176.827.8-33.3000109.6K37 A59 I63K37-P61 PolarHBondContact NZ-O 3.48Å; A59-P61 WeakPolarHBondContact O-CD 3.4Å; P61-I63 PolarHBondContact O-N 2.98Å
62D91.8Very high95.1Very high120 Ų12044 Ų4464%0.64224%0.235SC*.THydrogen-bonded Turntrans45.859.3177.8-49.2-51.2000113.3I60 Q64 T65I60-D62 PolarHBondContact O-N 3.32Å; D62-Q64 PolarHBondContact O-N 3.36Å; D62-T65 HydrophobicContact CB-CG2 3.8Å; D62-T65 PolarHBondContact O-N 2.88Å; D62-T65 PolarHBondContact O-OG1 3.4Å; D62-T65 VanDerWaalsContact O-OG1 3.06Å
63I93.5Very high95.4Very high26 Ų2637.1 Ų37.113%0.13320%0.203CC..G310 helixtrans-51.5-24.9-176.1-163.2164.1000114.6I57 I60 P61 T65 T66 L85 T89 A91I57-I63 HydrophobicContact CG2-CD1 3.55Å; I60-I63 HydrophobicContact CB-CB 4.46Å; I60-I63 HydrophobicContact CB-CD1 4.45Å; I60-I63 HydrophobicContact CB-CG1 4.44Å; I60-I63 HydrophobicContact CD1-CD1 4.02Å; I60-I63 HydrophobicContact CD1-CG1 4.44Å; I60-I63 HydrophobicContact CG2-CB 4.15Å; I60-I63 HydrophobicContact CG2-CG1 4.12Å; P61-I63 PolarHBondContact O-N 2.98Å; I63-T65 PolarHBondContact O-N 3.48Å; I63-T66 WeakPolarHBondContact O-CB 3.35Å; I63-T66 PolarHBondContact O-N 3.34Å; I63-T66 PolarHBondContact O-OG1 2.99Å; I63-L85 HydrophobicContact CD1-CD1 3.77Å; I63-T89 HydrophobicContact CD1-CG2 4.3Å; I63-A91 HydrophobicContact CG1-CB 4.24Å
64Q93.6Very high95.6Very high127 Ų12737 Ų3759%0.59320%0.202SC*.G310 helixtrans-66.4-20.1175.6-57.2-176.2400113.3D62D62-Q64 PolarHBondContact O-N 3.36Å
65T93.4Very high95.5Very high76 Ų7637.6 Ų37.647%0.46621%0.205SC..G310 helixtrans-93.33.617882.50000112.8K37 D62 I63 D67K37-T65 PolarHBondContact NZ-OG1 3.11Å; D62-T65 HydrophobicContact CB-CG2 3.8Å; D62-T65 PolarHBondContact O-N 2.88Å; D62-T65 PolarHBondContact O-OG1 3.4Å; D62-T65 VanDerWaalsContact O-OG1 3.06Å; I63-T65 PolarHBondContact O-N 3.48Å; T65-D67 PolarHBondContact O-N 2.96Å
66T96Very high95.3Very high5 Ų538.3 Ų38.33%0.03121%0.208CC..  trans-66128.4175.7-60.60000109.5K37 I39 I63 S93K37-T66 HydrophobicContact CB-CG2 4.48Å; I39-T66 HydrophobicContact CD1-CG2 3.79Å; I39-T66 HydrophobicContact CG1-CG2 3.81Å; I63-T66 WeakPolarHBondContact O-CB 3.35Å; I63-T66 PolarHBondContact O-N 3.34Å; I63-T66 PolarHBondContact O-OG1 2.99Å; T66-S93 VanDerWaalsContact C-OG 3.22Å; T66-S93 WeakPolarHBondContact CB-OG 3.37Å; T66-S93 VanDerWaalsContact CG2-OG 3.25Å; T66-S93 WeakPolarHBondContact CG2-OG 3.28Å; T66-S93 WeakPolarHBondContact O-CA 3.44Å; T66-S93 VanDerWaalsContact O-CB 3.29Å; T66-S93 WeakPolarHBondContact O-CB 3.31Å; T66-S93 PolarHBondContact O-OG 3.1Å
67D96.8Very high95.2Very high21 Ų2135 Ų3511%0.11220%0.195CC..  trans-80.9-45.9-175-64.3-82.3000111.8K36 K37 T65 K94 N151 I153K36-D67 VanDerWaalsContact CA-OD2 3.3Å; K36-D67 WeakPolarHBondContact CA-OD2 3.47Å; K37-D67 PolarHBondContact N-OD2 3.38Å; K37-D67 PolarHBondContact O-N 3.23Å; T65-D67 PolarHBondContact O-N 2.96Å; D67-K94 PolarHBondContact O-N 3.48Å; D67-K94 VanDerWaalsContact O-N 3.07Å; D67-N151 PolarHBondContact OD1-ND2 3.08Å; D67-I153 HydrophobicContact CB-CD1 3.72Å
68L97.9Very high95.4Very high0 Ų034.5 Ų34.50%019%0.192CC..EExtended strand (participates in β ladder)trans-142.4140.3-163.9-169.667.8000111.7K37 I38 I39 L70 K94 Y96 V150 I153 F155K37-L68 PolarHBondContact O-N 3.4Å; I38-L68 CarbonylContact C-O 3.59Å; I38-L68 VanDerWaalsContact CA-O 3.3Å; I38-L68 WeakPolarHBondContact CA-O 3.47Å; I38-L68 HydrophobicContact CD1-CD2 4.47Å; I38-L68 HydrophobicContact CG1-CB 4.25Å; I38-L68 HydrophobicContact CG2-CB 4.21Å; I38-L68 HydrophobicContact CG2-CD2 4.37Å; I38-L68 HydrophobicContact CG2-CG 4.45Å; I39-L68 PolarHBondContact N-O 2.87Å; L68-L70 HydrophobicContact CD1-CD2 4.2Å; L68-L70 HydrophobicContact CD2-CD1 4Å; L68-L70 HydrophobicContact CD2-CD2 3.91Å; L68-L70 HydrophobicContact CD2-CG 3.94Å; L68-L70 HydrophobicContact CG-CD2 3.93Å; L68-L70 HydrophobicContact CG-CG 4.02Å; L68-K94 CarbonylContact C-O 3.43Å; L68-K94 WeakPolarHBondContact CA-O 3.32Å; L68-K94 HydrophobicContact CD1-CB 4.21Å; L68-Y96 HydrophobicContact CD1-CD2 3.61Å; L68-Y96 HydrophobicContact CD1-CE2 3.76Å; L68-V150 HydrophobicContact CD1-CB 4.2Å; L68-V150 HydrophobicContact CD1-CG1 4.4Å; L68-V150 HydrophobicContact CD1-CG2 4.13Å; L68-I153 HydrophobicContact CB-CD1 4.4Å; L68-I153 HydrophobicContact CD2-CG2 3.96Å; L68-F155 HydrophobicContact CD1-CE1 3.92Å; L68-F155 HydrophobicContact CD1-CZ 4Å; L68-F155 HydrophobicContact CD2-CD1 3.61Å; L68-F155 HydrophobicContact CD2-CE1 3.71Å; L68-F155 HydrophobicContact CD2-CG 4.17Å; L68-F155 HydrophobicContact CD2-CZ 4.32Å; L68-F155 HydrophobicContact CG-CE1 4.49Å
69I98.5Very high95.6Very high0 Ų027.1 Ų27.10%015%0.152CC..EExtended strand (participates in β ladder)trans-121.6126.1169.9-58.8163.7000107.2I39 I71 L82 L85 L86 K94 C95 Y96I39-I69 HydrophobicContact CB-CG1 4.16Å; I39-I69 HydrophobicContact CD1-CG1 4.38Å; I39-I69 CarbonylContact O-C 3.58Å; I39-I69 VanDerWaalsContact O-CA 3.3Å; I39-I69 WeakPolarHBondContact O-CA 3.34Å; I69-I71 HydrophobicContact CG2-CD1 3.81Å; I69-I71 HydrophobicContact CG2-CG1 4.34Å; I69-L82 HydrophobicContact CG2-CD1 4.18Å; I69-L85 HydrophobicContact CD1-CD2 3.78Å; I69-L85 HydrophobicContact CD1-CG 4.29Å; I69-L85 HydrophobicContact CG1-CD2 4.36Å; I69-L85 HydrophobicContact CG2-CD2 4.48Å; I69-L86 HydrophobicContact CD1-CD2 3.72Å; I69-K94 PolarHBondContact N-O 2.92Å; I69-C95 HydrophobicContact CB-CB 4.1Å; I69-C95 CarbonylContact O-C 3.57Å; I69-C95 VanDerWaalsContact O-CA 3.31Å; I69-C95 WeakPolarHBondContact O-CA 3.48Å; I69-Y96 PolarHBondContact O-N 3.48Å
70L98.8Very high95.7Very high0 Ų025.1 Ų25.10%014%0.136CC..EExtended strand (participates in β ladder)trans-119.7122.7178.3-62178.1000109.3I38 I39 L40 D41 L68 Y96 F155 F169 I171I38-L70 HydrophobicContact CG2-CD1 4.45Å; I39-L70 PolarHBondContact O-N 3.36Å; L40-L70 HydrophobicContact CD2-CB 4.17Å; L40-L70 HydrophobicContact CD2-CD1 4.14Å; D41-L70 PolarHBondContact N-O 2.97Å; L68-L70 HydrophobicContact CD1-CD2 4.2Å; L68-L70 HydrophobicContact CD2-CD1 4Å; L68-L70 HydrophobicContact CD2-CD2 3.91Å; L68-L70 HydrophobicContact CD2-CG 3.94Å; L68-L70 HydrophobicContact CG-CD2 3.93Å; L68-L70 HydrophobicContact CG-CG 4.02Å; L70-Y96 HydrophobicContact CD2-CD2 4.47Å; L70-F155 HydrophobicContact CD1-CB 4.33Å; L70-F155 HydrophobicContact CD1-CD2 4.38Å; L70-F155 HydrophobicContact CD1-CG 4.38Å; L70-F155 HydrophobicContact CD2-CD2 3.72Å; L70-F155 HydrophobicContact CD2-CE2 3.72Å; L70-F155 HydrophobicContact CD2-CG 4.32Å; L70-F155 HydrophobicContact CD2-CZ 4.34Å; L70-F169 HydrophobicContact CB-CD1 4.43Å; L70-F169 HydrophobicContact CB-CD2 3.96Å; L70-F169 HydrophobicContact CB-CE1 4.47Å; L70-F169 HydrophobicContact CB-CE2 4Å; L70-F169 HydrophobicContact CB-CG 4.16Å; L70-F169 HydrophobicContact CB-CZ 4.26Å; L70-F169 HydrophobicContact CD1-CB 4.04Å; L70-F169 HydrophobicContact CD1-CD1 3.96Å; L70-F169 HydrophobicContact CD1-CG 3.93Å; L70-F169 HydrophobicContact CD2-CD1 4.23Å; L70-F169 HydrophobicContact CD2-CE1 4.05Å; L70-F169 HydrophobicContact CD2-CZ 4.43Å; L70-F169 HydrophobicContact CG-CD1 4.44Å; L70-I171 HydrophobicContact CD1-CD1 3.81Å; L70-I171 HydrophobicContact CD1-CG1 3.86Å
71I98.8Very high95.8Very high0 Ų024.6 Ų24.60%013%0.133CC..  trans-108.2115.6179.8-51.9-60.1000110.1D41 I69 H73 C79 L82 Y96 M97 F169D41-I71 VanDerWaalsContact OD1-CA 3.23Å; D41-I71 WeakPolarHBondContact OD1-CA 3.22Å; I69-I71 HydrophobicContact CG2-CD1 3.81Å; I69-I71 HydrophobicContact CG2-CG1 4.34Å; I71-H73 WeakPolarHBondContact CG2-O 3.38Å; I71-C79 HydrophobicContact CG2-CB 3.74Å; I71-L82 HydrophobicContact CD1-CD1 4.13Å; I71-L82 HydrophobicContact CD1-CD2 4.32Å; I71-L82 HydrophobicContact CG1-CD2 3.99Å; I71-Y96 PolarHBondContact N-O 2.88Å; I71-M97 HydrophobicContact CB-CE 3.9Å; I71-M97 HydrophobicContact CB-CG 3.74Å; I71-M97 HydrophobicContact CG1-CE 3.77Å; I71-M97 HydrophobicContact CG1-CG 4.2Å; I71-M97 HydrophobicContact CG2-CE 3.83Å; I71-M97 HydrophobicContact CG2-CG 4.27Å; I71-F169 WeakPolarHBondContact O-CE2 3.48Å
72S98.7Very high96Very high1 Ų121.2 Ų21.21%0.00711%0.111CC..  trans-62.7-50.5-175.461.10000111.8D41 H78 A166 A167D41-S72 VanDerWaalsContact CG-OG 3.27Å; D41-S72 PolarHBondContact OD1-N 3.33Å; D41-S72 PolarHBondContact OD1-OG 3.03Å; D41-S72 VanDerWaalsContact OD1-OG 3.09Å; D41-S72 WeakPolarHBondContact OD2-CB 3.47Å; D41-S72 PolarHBondContact OD2-OG 3.19Å; S72-H78 PolarHBondContact OG-ND1 3.38Å; S72-A166 WeakPolarHBondContact O-CA 3.45Å; S72-A167 WeakPolarHBondContact CB-O 3.39Å; S72-A167 PolarHBondContact O-N 2.9Å
73H97.6Very high96.2Very high0 Ų015.5 Ų15.50%08%0.081CC..  trans-159.3177.3-176.370.3-75.1000112.6I71 H75 H78 H162 V163 A166 D183I71-H73 WeakPolarHBondContact CG2-O 3.38Å; H73-H75 AromaticContact CD2-CG 3.48Å; H73-H75 VanDerWaalsContact CD2-CG 3.48Å; H73-H75 PolarHBondContact CD2-N 3.12Å; H73-H75 AromaticContact CD2-ND1 3.34Å; H73-H75 PolarHBondContact CD2-ND1 3.48Å; H73-H75 VanDerWaalsContact CD2-ND1 3.34Å; H73-H75 VanDerWaalsContact NE2-CB 3.34Å; H73-H75 WeakPolarHBondContact NE2-CB 3.37Å; H73-H75 AromaticContact NE2-CG 3.37Å; H73-H75 AromaticContact NE2-ND1 3Å; H73-H75 PolarHBondContact NE2-ND1 3.41Å; H73-H75 PolarHBondContact O-N 3.36Å; H73-H78 AromaticContact CE1-CD2 3.19Å; H73-H78 PolarHBondContact CE1-CD2 2.92Å; H73-H78 AromaticContact CE1-CE1 3.67Å; H73-H78 AromaticContact CE1-CG 3.21Å; H73-H78 AromaticContact CE1-ND1 3.51Å; H73-H78 AromaticContact CE1-NE2 3.55Å; H73-H78 AromaticContact ND1-CG 3.69Å; H73-H78 AromaticContact ND1-ND1 3.85Å; H73-H78 AromaticContact NE2-CD2 3.68Å; H73-H78 AromaticContact NE2-CG 3.95Å; H73-H162 AromaticContact CD2-CD2 3.84Å; H73-H162 AromaticContact CD2-NE2 3.98Å; H73-H162 AromaticContact NE2-CD2 3.76Å; H73-H162 AromaticContact NE2-NE2 3.57Å; H73-V163 HydrophobicContact CB-CG2 3.81Å; H73-A166 HydrophobicContact CB-CB 3.59Å; H73-D183 IonicContact CE1-OD2 2.67Å; H73-D183 PolarHBondContact CE1-OD2 3.42Å; H73-D183 IonicContact NE2-OD2 3.74Å
74F95.4Very high96.3Very high0 Ų015.1 Ų15.10%08%0.078CC..SBendtrans-84.7-2.8-167.862.5-108.3000114.9C79 T101 I104 L108 V163 L164 L247F74-C79 VanDerWaalsContact C-SG 3.51Å; F74-C79 PolarHBondContact O-SG 2.89Å; F74-T101 HydrophobicContact CB-CG2 4.16Å; F74-I104 HydrophobicContact CB-CB 4.15Å; F74-I104 HydrophobicContact CB-CG2 3.88Å; F74-I104 HydrophobicContact CD1-CB 3.92Å; F74-I104 HydrophobicContact CD1-CD1 3.61Å; F74-I104 HydrophobicContact CD1-CG1 4.34Å; F74-I104 HydrophobicContact CD1-CG2 3.71Å; F74-I104 HydrophobicContact CD2-CG2 3.6Å; F74-I104 HydrophobicContact CE1-CB 4.44Å; F74-I104 HydrophobicContact CE1-CD1 3.38Å; F74-I104 HydrophobicContact CE1-CG1 4.48Å; F74-I104 HydrophobicContact CE1-CG2 4.06Å; F74-I104 HydrophobicContact CE2-CG2 3.98Å; F74-I104 HydrophobicContact CG-CB 3.99Å; F74-I104 HydrophobicContact CG-CD1 4.45Å; F74-I104 HydrophobicContact CG-CG2 3.44Å; F74-I104 VanDerWaalsContact CG-CG2 3.44Å; F74-I104 HydrophobicContact CZ-CD1 4.09Å; F74-I104 HydrophobicContact CZ-CG2 4.17Å; F74-L108 HydrophobicContact CD2-CD2 4.1Å; F74-L108 WeakPolarHBondContact O-CD2 3.4Å; F74-V163 HydrophobicContact CD1-CG2 3.96Å; F74-V163 HydrophobicContact CE1-CB 3.64Å; F74-V163 HydrophobicContact CE1-CG2 3.55Å; F74-V163 HydrophobicContact CE2-CB 4.33Å; F74-V163 HydrophobicContact CE2-CG1 4.39Å; F74-V163 HydrophobicContact CE2-CG2 4.33Å; F74-V163 HydrophobicContact CZ-CB 3.54Å; F74-V163 HydrophobicContact CZ-CG1 3.95Å; F74-V163 HydrophobicContact CZ-CG2 3.77Å; F74-L164 WeakPolarHBondContact CD1-O 3.34Å; F74-L164 HydrophobicContact CE1-CB 4.45Å; F74-L164 VanDerWaalsContact CE1-O 3.22Å; F74-L164 WeakPolarHBondContact CE1-O 2.95Å; F74-L247 HydrophobicContact CE2-CB 4.02Å; F74-L247 HydrophobicContact CZ-CB 4.39Å
75H93.9Very high96.4Very high25 Ų259.1 Ų9.112%0.1165%0.05CC..SBendtrans-64.2152.6-179.1-69.3153.5000112.2H73 D77 H78 C79 H162 V163H73-H75 AromaticContact CD2-CG 3.48Å; H73-H75 VanDerWaalsContact CD2-CG 3.48Å; H73-H75 PolarHBondContact CD2-N 3.12Å; H73-H75 AromaticContact CD2-ND1 3.34Å; H73-H75 PolarHBondContact CD2-ND1 3.48Å; H73-H75 VanDerWaalsContact CD2-ND1 3.34Å; H73-H75 VanDerWaalsContact NE2-CB 3.34Å; H73-H75 WeakPolarHBondContact NE2-CB 3.37Å; H73-H75 AromaticContact NE2-CG 3.37Å; H73-H75 AromaticContact NE2-ND1 3Å; H73-H75 PolarHBondContact NE2-ND1 3.41Å; H73-H75 PolarHBondContact O-N 3.36Å; H75-D77 VanDerWaalsContact C-N 3.29Å; H75-D77 WeakPolarHBondContact CB-OD1 3.39Å; H75-D77 PolarHBondContact O-N 3.45Å; H75-H78 PolarHBondContact O-N 2.92Å; H75-C79 PolarHBondContact O-N 3.2Å; H75-C79 PolarHBondContact O-SG 3.16Å; H75-H162 AromaticContact CE1-CD2 3.97Å; H75-H162 AromaticContact CE1-CE1 3.71Å; H75-H162 AromaticContact CE1-NE2 3.02Å; H75-H162 PolarHBondContact CE1-NE2 3.48Å; H75-H162 AromaticContact ND1-CD2 3.98Å; H75-H162 AromaticContact ND1-CE1 3.98Å; H75-H162 AromaticContact ND1-NE2 3.03Å; H75-H162 PolarHBondContact ND1-NE2 2.91Å; H75-V163 WeakPolarHBondContact CE1-CG1 3.21Å; H75-V163 WeakPolarHBondContact NE2-CG1 3.4Å
76L93.4Very high96.5Very high22 Ų226.1 Ų6.112%0.1153%0.031CC..Hα-helixtrans-64.5-34.3-171.5-70.5174.8000112.6G43 I44 H78 G80 L108 L109 F112 F245G43-L76 CarbonylContact C-O 3.51Å; G43-L76 VanDerWaalsContact CA-O 3.27Å; G43-L76 WeakPolarHBondContact CA-O 3.47Å; I44-L76 HydrophobicContact CD1-CB 4.26Å; I44-L76 HydrophobicContact CG1-CB 4.1Å; I44-L76 WeakPolarHBondContact CG1-O 3.28Å; I44-L76 PolarHBondContact N-O 3.1Å; L76-H78 PolarHBondContact O-N 3.27Å; L76-G80 VanDerWaalsContact O-CA 3.23Å; L76-G80 WeakPolarHBondContact O-CA 3.33Å; L76-G80 PolarHBondContact O-N 2.82Å; L76-L108 HydrophobicContact CD2-CD2 3.98Å; L76-L108 HydrophobicContact CD2-CG 4.19Å; L76-L108 HydrophobicContact CG-CD2 3.98Å; L76-L108 HydrophobicContact CG-CG 4.39Å; L76-L109 HydrophobicContact CD2-CD2 3.51Å; L76-F112 HydrophobicContact CD1-CB 4.01Å; L76-F112 HydrophobicContact CD1-CD2 3.81Å; L76-F112 HydrophobicContact CD1-CG 4.14Å; L76-F112 HydrophobicContact CD2-CB 3.77Å; L76-F112 HydrophobicContact CD2-CD2 4.48Å; L76-F112 HydrophobicContact CD2-CG 4.05Å; L76-F245 HydrophobicContact CD1-CE1 4.35Å
77D95.3Very high96.4Very high22 Ų228.3 Ų8.312%0.1184%0.043CC..Hα-helixtrans-71-5.1173.250-18.9000114.6S27 G43 I44 H75 H422S27-D77 WeakPolarHBondContact CA-O 3.44Å; S27-D77 WeakPolarHBondContact CB-O 3.17Å; S27-D77 PolarHBondContact N-O 2.96Å; S27-D77 PolarHBondContact OG-O 2.87Å; G43-D77 VanDerWaalsContact CA-C 3.41Å; G43-D77 VanDerWaalsContact CA-O 3.27Å; G43-D77 WeakPolarHBondContact CA-O 3.45Å; I44-D77 WeakPolarHBondContact O-CA 3.28Å; H75-D77 VanDerWaalsContact C-N 3.29Å; H75-D77 WeakPolarHBondContact CB-OD1 3.39Å; H75-D77 PolarHBondContact O-N 3.45Å; D77-H422 IonicContact OD2-CE1 2.74Å; D77-H422 IonicContact OD2-NE2 3.59Å; D77-H422 PolarHBondContact OD2-NE2 3.33Å
78H98.1Very high96.2Very high0 Ų012.6 Ų12.60%06%0.06CC..Hα-helixtrans-118.6-25.1174-70.3-102.9000113.7S27 D41 C42 G43 S72 H73 H75 L76 D183 H422S27-H78 PolarHBondContact OG-CE1 3.37Å; S27-H78 VanDerWaalsContact OG-CE1 3.24Å; S27-H78 PolarHBondContact OG-NE2 2.95Å; D41-H78 HydrophobicContact CB-CB 4.26Å; D41-H78 WeakPolarHBondContact CB-O 3.48Å; D41-H78 IonicContact OD2-CE1 2.88Å; D41-H78 IonicContact OD2-CG 2.71Å; D41-H78 IonicContact OD2-ND1 3.39Å; D41-H78 PolarHBondContact OD2-ND1 3.32Å; C42-H78 CarbonylContact C-O 3.49Å; C42-H78 PolarHBondContact N-O 3.47Å; G43-H78 PolarHBondContact N-O 3.08Å; S72-H78 PolarHBondContact OG-ND1 3.38Å; H73-H78 AromaticContact CE1-CD2 3.19Å; H73-H78 PolarHBondContact CE1-CD2 2.92Å; H73-H78 AromaticContact CE1-CE1 3.67Å; H73-H78 AromaticContact CE1-CG 3.21Å; H73-H78 AromaticContact CE1-ND1 3.51Å; H73-H78 AromaticContact CE1-NE2 3.55Å; H73-H78 AromaticContact ND1-CG 3.69Å; H73-H78 AromaticContact ND1-ND1 3.85Å; H73-H78 AromaticContact NE2-CD2 3.68Å; H73-H78 AromaticContact NE2-CG 3.95Å; H75-H78 PolarHBondContact O-N 2.92Å; L76-H78 PolarHBondContact O-N 3.27Å; H78-D183 IonicContact CD2-OD2 3.55Å; H78-D183 IonicContact CE1-OD1 3.34Å; H78-D183 IonicContact NE2-OD1 3.61Å; H78-D183 PolarHBondContact NE2-OD1 3.41Å; H78-D183 IonicContact NE2-OD2 3.78Å; H78-D183 PolarHBondContact NE2-OD2 3.01Å; H78-H422 AromaticContact NE2-CD2 3.72Å; H78-H422 AromaticContact NE2-CE1 3.92Å; H78-H422 AromaticContact NE2-NE2 3.5Å
79C97.4Very high95.9Very high0 Ų014.2 Ų14.20%07%0.07CC..Hα-helixtrans-131.1-6.4-178.175.40000115.5C42 I71 F74 H75 G81 L82 M97 Y105C42-C79 CarbonylContact O-C 3.59Å; C42-C79 VanDerWaalsContact O-CA 3.32Å; C42-C79 WeakPolarHBondContact O-CA 3.06Å; I71-C79 HydrophobicContact CG2-CB 3.74Å; F74-C79 VanDerWaalsContact C-SG 3.51Å; F74-C79 PolarHBondContact O-SG 2.89Å; H75-C79 PolarHBondContact O-N 3.2Å; H75-C79 PolarHBondContact O-SG 3.16Å; C79-G81 VanDerWaalsContact C-N 3.26Å; C79-G81 PolarHBondContact O-N 2.84Å; C79-L82 WeakPolarHBondContact O-CB 3.32Å; C79-L82 PolarHBondContact O-N 3.3Å; C79-L82 VanDerWaalsContact O-N 3.07Å; C79-M97 HydrophobicContact CB-CE 4.4Å; C79-Y105 HydrophobicContact CB-CD2 4Å; C79-Y105 HydrophobicContact CB-CE2 4.21Å
80G95.2Very high95.5Very high0 Ų016 Ų160%09%0.088CC..THydrogen-bonded Turntrans-65.8-23.6-175.800000114.5C42 L76 L82 Y127C42-G80 PolarHBondContact O-N 2.86Å; L76-G80 VanDerWaalsContact O-CA 3.23Å; L76-G80 WeakPolarHBondContact O-CA 3.33Å; L76-G80 PolarHBondContact O-N 2.82Å; G80-L82 VanDerWaalsContact C-N 3.33Å; G80-Y127 WeakPolarHBondContact O-CE1 3.4Å; G80-Y127 PolarHBondContact O-OH 2.95Å
81G95.8Very high95.1Very high0 Ų016.6 Ų16.60%09%0.094CC..THydrogen-bonded Turntrans-84.4-9175.500000113.2C42 G43 C79 H84 L85C42-G81 CarbonylContact O-C 3.47Å; C42-G81 VanDerWaalsContact O-CA 3.27Å; C42-G81 WeakPolarHBondContact O-CA 3.4Å; C42-G81 PolarHBondContact O-N 2.85Å; C42-G81 VanDerWaalsContact SG-C 3.55Å; G43-G81 VanDerWaalsContact C-N 3.33Å; G43-G81 WeakPolarHBondContact O-CA 3.38Å; G43-G81 PolarHBondContact O-N 3.03Å; C79-G81 VanDerWaalsContact C-N 3.26Å; C79-G81 PolarHBondContact O-N 2.84Å; G81-H84 WeakPolarHBondContact O-CB 3.24Å; G81-H84 PolarHBondContact O-N 3.08Å; G81-H84 VanDerWaalsContact O-N 3.16Å; G81-L85 PolarHBondContact O-N 3.4Å
82L97.1Very high94.7Very high0 Ų024.8 Ų24.80%013%0.129CC..Hα-helixtrans-63.2-42.5-168.4-173.964000114.9C42 I69 I71 C79 G80 H84 L85 L86 M97 Y105 I139C42-L82 PolarHBondContact O-N 3.06Å; I69-L82 HydrophobicContact CG2-CD1 4.18Å; I71-L82 HydrophobicContact CD1-CD1 4.13Å; I71-L82 HydrophobicContact CD1-CD2 4.32Å; I71-L82 HydrophobicContact CG1-CD2 3.99Å; C79-L82 WeakPolarHBondContact O-CB 3.32Å; C79-L82 PolarHBondContact O-N 3.3Å; C79-L82 VanDerWaalsContact O-N 3.07Å; G80-L82 VanDerWaalsContact C-N 3.33Å; L82-H84 PolarHBondContact O-N 2.93Å; L82-L85 HydrophobicContact CD1-CD2 4.28Å; L82-L85 PolarHBondContact O-N 2.63Å; L82-L86 HydrophobicContact CD1-CD1 3.8Å; L82-L86 HydrophobicContact CD1-CD2 4.3Å; L82-L86 HydrophobicContact CD1-CG 3.76Å; L82-L86 HydrophobicContact CD2-CD1 4.18Å; L82-L86 HydrophobicContact CG-CD1 3.68Å; L82-L86 HydrophobicContact CG-CG 4.07Å; L82-L86 WeakPolarHBondContact O-CG 3.25Å; L82-L86 PolarHBondContact O-N 2.91Å; L82-M97 HydrophobicContact CD2-CE 3.23Å; L82-Y105 HydrophobicContact CB-CE2 4.17Å; L82-Y105 HydrophobicContact CD2-CE2 3.88Å; L82-I139 HydrophobicContact CD2-CD1 3.76Å; L82-I139 HydrophobicContact CD2-CG1 4.25Å
83P95.8Very high94.4Very high0 Ų025.3 Ų25.30%013%0.133CC..Hα-helixtrans-60.4-36.1176.2-19.428.2000112.3L87 Y105 L109 Y127 I132P83-L87 VanDerWaalsContact O-CB 3.32Å; P83-L87 WeakPolarHBondContact O-CB 3.29Å; P83-L87 PolarHBondContact O-N 3.04Å; P83-L87 VanDerWaalsContact O-N 3.09Å; P83-Y105 WeakPolarHBondContact CD-OH 3.31Å; P83-Y105 VanDerWaalsContact CG-OH 3.27Å; P83-Y105 WeakPolarHBondContact CG-OH 3.42Å; P83-L109 HydrophobicContact CG-CD1 3.45Å; P83-L109 VanDerWaalsContact CG-CD1 3.45Å; P83-Y127 HydrophobicContact CB-CD1 3.78Å; P83-Y127 HydrophobicContact CB-CD2 3.95Å; P83-Y127 HydrophobicContact CB-CE1 4.22Å; P83-Y127 HydrophobicContact CB-CE2 4.34Å; P83-Y127 HydrophobicContact CB-CG 3.65Å; P83-Y127 HydrophobicContact CG-CD1 3.98Å; P83-Y127 HydrophobicContact CG-CD2 3.9Å; P83-Y127 HydrophobicContact CG-CE1 3.9Å; P83-Y127 HydrophobicContact CG-CE2 3.79Å; P83-Y127 HydrophobicContact CG-CG 4Å; P83-I132 HydrophobicContact CG-CG1 4.4Å
84H94.3Very high94.4Very high18 Ų1830.1 Ų30.18%0.08315%0.154CC..Hα-helixtrans-65.2-48.8175.7-172.886.8000110.5L54 G81 L82 K88 Y127L54-H84 VanDerWaalsContact CD1-CD2 3.5Å; L54-H84 WeakPolarHBondContact CD1-CD2 3.37Å; L54-H84 HydrophobicContact CD2-CB 4.17Å; G81-H84 WeakPolarHBondContact O-CB 3.24Å; G81-H84 PolarHBondContact O-N 3.08Å; G81-H84 VanDerWaalsContact O-N 3.16Å; L82-H84 PolarHBondContact O-N 2.93Å; H84-K88 WeakPolarHBondContact O-CA 3.5Å; H84-K88 VanDerWaalsContact O-CB 3.27Å; H84-K88 WeakPolarHBondContact O-CB 3.25Å; H84-K88 PolarHBondContact O-N 3.21Å; H84-Y127 HydrophobicContact CB-CD1 4.42Å
85L95.5Very high94.5Very high1 Ų130.1 Ų30.11%0.00515%0.154CC..Hα-helixtrans-56-54.2177.5179.662.5000111.7I39 C42 I57 I63 I69 G81 L82 T89 A91I39-L85 HydrophobicContact CD1-CD1 4.22Å; I39-L85 HydrophobicContact CD1-CD2 4.1Å; I39-L85 HydrophobicContact CG2-CD2 4.33Å; C42-L85 HydrophobicContact CB-CD2 3.83Å; I57-L85 HydrophobicContact CG2-CD1 4.16Å; I63-L85 HydrophobicContact CD1-CD1 3.77Å; I69-L85 HydrophobicContact CD1-CD2 3.78Å; I69-L85 HydrophobicContact CD1-CG 4.29Å; I69-L85 HydrophobicContact CG1-CD2 4.36Å; I69-L85 HydrophobicContact CG2-CD2 4.48Å; G81-L85 PolarHBondContact O-N 3.4Å; L82-L85 HydrophobicContact CD1-CD2 4.28Å; L82-L85 PolarHBondContact O-N 2.63Å; L85-T89 HydrophobicContact CD1-CG2 4.29Å; L85-T89 PolarHBondContact O-OG1 3.26Å; L85-A91 HydrophobicContact CD1-CB 4.47Å
86L96Very high94.8Very high14 Ų1430.2 Ų30.27%0.07315%0.154CC..Hα-helixtrans-69-37.1-173.7-66.7175.2000113.4I69 L82 C95 H138 I139I69-L86 HydrophobicContact CD1-CD2 3.72Å; L82-L86 HydrophobicContact CD1-CD1 3.8Å; L82-L86 HydrophobicContact CD1-CD2 4.3Å; L82-L86 HydrophobicContact CD1-CG 3.76Å; L82-L86 HydrophobicContact CD2-CD1 4.18Å; L82-L86 HydrophobicContact CG-CD1 3.68Å; L82-L86 HydrophobicContact CG-CG 4.07Å; L82-L86 WeakPolarHBondContact O-CG 3.25Å; L82-L86 PolarHBondContact O-N 2.91Å; L86-C95 HydrophobicContact CD2-CB 4.2Å; L86-H138 HydrophobicContact CD1-CB 4.07Å; L86-I139 HydrophobicContact CD1-CD1 4.39Å; L86-I139 HydrophobicContact CD1-CG1 4Å
87L94.4Very high95Very high51 Ų5129.2 Ų29.227%0.26715%0.148SC..Hα-helixtrans-107-20.9-168.6-58.1176.3000114.5P83 D131 A134P83-L87 VanDerWaalsContact O-CB 3.32Å; P83-L87 WeakPolarHBondContact O-CB 3.29Å; P83-L87 PolarHBondContact O-N 3.04Å; P83-L87 VanDerWaalsContact O-N 3.09Å; L87-D131 HydrophobicContact CD1-CB 3.8Å; L87-D131 WeakPolarHBondContact CD1-O 3.41Å; L87-A134 HydrophobicContact CD1-CB 3.99Å; L87-A134 HydrophobicContact CD2-CB 4.48Å
88K91.9Very high95.1Very high110 Ų11028.2 Ų28.248%0.47814%0.143SC..Hα-helixtrans-114.9-9.3-171.6-49.3-62.5179.2-168.10114.3H84 D131H84-K88 WeakPolarHBondContact O-CA 3.5Å; H84-K88 VanDerWaalsContact O-CB 3.27Å; H84-K88 WeakPolarHBondContact O-CB 3.25Å; H84-K88 PolarHBondContact O-N 3.21Å; K88-D131 WeakPolarHBondContact CE-OD1 3.34Å; K88-D131 IonicContact NZ-OD1 3.19Å; K88-D131 PolarHBondContact NZ-OD1 3.25Å; K88-D131 IonicContact NZ-OD2 3.78Å
89T92Very high95Very high34 Ų3431.3 Ų31.321%0.20916%0.157CC..SBendtrans-107-15.3-177.475.70000114.5I57 I63 L85 A91I57-T89 HydrophobicContact CG2-CG2 3.97Å; I63-T89 HydrophobicContact CD1-CG2 4.3Å; L85-T89 HydrophobicContact CD1-CG2 4.29Å; L85-T89 PolarHBondContact O-OG1 3.26Å; T89-A91 PolarHBondContact OG1-N 3.08Å
90G89.4Confident94.9Very high37 Ų3731.5 Ų31.538%0.38116%0.159SC..  trans80.910.6-17500000114.7K92G90-K92 PolarHBondContact O-N 3.1Å
91A90.7Very high94.9Very high14 Ų1431.5 Ų31.512%0.11616%0.159CC..  trans-53.8128.6170.300000110.9I63 L85 T89I63-A91 HydrophobicContact CG1-CB 4.24Å; L85-A91 HydrophobicContact CD1-CB 4.47Å; T89-A91 PolarHBondContact OG1-N 3.08Å
92K89.9Confident94.9Very high171 Ų17134.1 Ų34.174%0.74317%0.17SC*.  trans-108.416.4178.2-64.8-176.6-179.1175.10112.7G90G90-K92 PolarHBondContact O-N 3.1Å
93S94Very high94.7Very high13 Ų1335.3 Ų35.39%0.09118%0.18CC..  trans-69.1150.6-174.4-44.90000111.9T66T66-S93 VanDerWaalsContact C-OG 3.22Å; T66-S93 WeakPolarHBondContact CB-OG 3.37Å; T66-S93 VanDerWaalsContact CG2-OG 3.25Å; T66-S93 WeakPolarHBondContact CG2-OG 3.28Å; T66-S93 WeakPolarHBondContact O-CA 3.44Å; T66-S93 VanDerWaalsContact O-CB 3.29Å; T66-S93 WeakPolarHBondContact O-CB 3.31Å; T66-S93 PolarHBondContact O-OG 3.1Å
94K97Very high94.6Very high101 Ų10135.3 Ų35.344%0.43918%0.18SC..EExtended strand (participates in β ladder)trans-71.9132.6164.3-74-60.9-157.5159.80109.4D67 L68 I69 Y96 D140 V150D67-K94 PolarHBondContact O-N 3.48Å; D67-K94 VanDerWaalsContact O-N 3.07Å; L68-K94 CarbonylContact C-O 3.43Å; L68-K94 WeakPolarHBondContact CA-O 3.32Å; L68-K94 HydrophobicContact CD1-CB 4.21Å; I69-K94 PolarHBondContact N-O 2.92Å; K94-Y96 HydrophobicContact CB-CD2 4.5Å; K94-Y96 HydrophobicContact CB-CE2 3.84Å; K94-D140 IonicContact NZ-OD2 3.36Å; K94-D140 PolarHBondContact NZ-OD2 2.96Å; K94-V150 HydrophobicContact CB-CG1 4.32Å; K94-V150 HydrophobicContact CG-CG1 4.26Å
95C98.3Very high94.6Very high0 Ų034.5 Ų34.50%018%0.176CC..EExtended strand (participates in β ladder)trans-114.7131.5179.5-1760000110I69 L86 I139 D140I69-C95 HydrophobicContact CB-CB 4.1Å; I69-C95 CarbonylContact O-C 3.57Å; I69-C95 VanDerWaalsContact O-CA 3.31Å; I69-C95 WeakPolarHBondContact O-CA 3.48Å; L86-C95 HydrophobicContact CD2-CB 4.2Å; C95-I139 HydrophobicContact CB-CG1 4.45Å; C95-D140 PolarHBondContact O-N 2.82Å
96Y98.7Very high94.4Very high27 Ų2739.7 Ų39.711%0.10620%0.196CC..EExtended strand (participates in β ladder)trans-123.3142.1178.4-70.1-94.2000112.9L68 I69 L70 I71 K94 D140 I142 L148 V150 F155L68-Y96 HydrophobicContact CD1-CD2 3.61Å; L68-Y96 HydrophobicContact CD1-CE2 3.76Å; I69-Y96 PolarHBondContact O-N 3.48Å; L70-Y96 HydrophobicContact CD2-CD2 4.47Å; I71-Y96 PolarHBondContact N-O 2.88Å; K94-Y96 HydrophobicContact CB-CD2 4.5Å; K94-Y96 HydrophobicContact CB-CE2 3.84Å; Y96-D140 WeakPolarHBondContact CA-O 3.47Å; Y96-D140 HydrophobicContact CD1-CB 3.73Å; Y96-D140 HydrophobicContact CE1-CB 3.45Å; Y96-D140 VanDerWaalsContact CE1-CB 3.45Å; Y96-D140 HydrophobicContact CG-CB 4.39Å; Y96-I142 HydrophobicContact CD1-CB 4.28Å; Y96-L148 HydrophobicContact CD1-CD1 3.86Å; Y96-L148 HydrophobicContact CE1-CD1 3.43Å; Y96-L148 VanDerWaalsContact CE1-CD1 3.43Å; Y96-V150 HydrophobicContact CE2-CG2 3.99Å; Y96-F155 HydrophobicContact CD1-CE2 4.36Å; Y96-F155 HydrophobicContact CD1-CZ 4.37Å; Y96-F155 HydrophobicContact CD2-CE2 4.01Å; Y96-F155 AromaticContact CD2-CZ 3.62Å; Y96-F155 HydrophobicContact CD2-CZ 3.62Å; Y96-F155 HydrophobicContact CE1-CZ 4.41Å; Y96-F155 HydrophobicContact CE2-CE2 4.44Å; Y96-F155 AromaticContact CE2-CZ 3.66Å; Y96-F155 HydrophobicContact CE2-CZ 3.66Å; Y96-F155 AromaticContact CG-CE2 3.96Å; Y96-F155 HydrophobicContact CG-CE2 3.96Å; Y96-F155 AromaticContact CG-CZ 3.99Å; Y96-F155 HydrophobicContact CG-CZ 3.99Å
97M98.5Very high94.1Very high0 Ų041.8 Ų41.80%020%0.203CC..EExtended strand (participates in β ladder)trans-134.7160170.4-78.9176.5-176.300109.5I71 C79 L82 T101 K102 Y105 I139 D140 T141 I142I71-M97 HydrophobicContact CB-CE 3.9Å; I71-M97 HydrophobicContact CB-CG 3.74Å; I71-M97 HydrophobicContact CG1-CE 3.77Å; I71-M97 HydrophobicContact CG1-CG 4.2Å; I71-M97 HydrophobicContact CG2-CE 3.83Å; I71-M97 HydrophobicContact CG2-CG 4.27Å; C79-M97 HydrophobicContact CB-CE 4.4Å; L82-M97 HydrophobicContact CD2-CE 3.23Å; M97-T101 HydrophobicContact CB-CG2 4.11Å; M97-T101 HydrophobicContact CG-CG2 3.86Å; M97-T101 HydrophobicContact SD-CG2 3.9Å; M97-K102 HydrophobicContact CB-CB 4.17Å; M97-K102 HydrophobicContact SD-CB 4.15Å; M97-Y105 HydrophobicContact CE-CD2 3.67Å; M97-Y105 HydrophobicContact CE-CE2 3.93Å; M97-Y105 HydrophobicContact CE-CG 4.05Å; M97-Y105 HydrophobicContact SD-CD2 4.48Å; M97-Y105 HydrophobicContact SD-CG 4.31Å; M97-I139 HydrophobicContact CB-CG2 3.99Å; M97-I139 HydrophobicContact CE-CD1 3.97Å; M97-I139 HydrophobicContact CE-CG2 4.49Å; M97-I139 HydrophobicContact CG-CG2 3.87Å; M97-I139 HydrophobicContact SD-CD1 4.21Å; M97-I139 HydrophobicContact SD-CG2 3.72Å; M97-D140 PolarHBondContact N-O 3.25Å; M97-D140 VanDerWaalsContact N-O 3.13Å; M97-T141 CarbonylContact O-C 3.54Å; M97-T141 WeakPolarHBondContact O-CA 3.46Å; M97-I142 PolarHBondContact O-N 2.91Å
98T97.5Very high93.8Very high2 Ų239.6 Ų39.61%0.01219%0.192CC..EExtended strand (participates in β ladder)trans-67.5158.9162.270.80000110.7A100 T101 K102 F144 G165 A167T98-A100 VanDerWaalsContact C-N 3.34Å; T98-A100 PolarHBondContact O-N 3.43Å; T98-T101 PolarHBondContact O-N 2.86Å; T98-T101 WeakPolarHBondContact OG1-CB 3.24Å; T98-T101 PolarHBondContact OG1-N 2.82Å; T98-T101 PolarHBondContact OG1-OG1 2.67Å; T98-K102 PolarHBondContact O-N 3.37Å; T98-F144 HydrophobicContact CG2-CE1 4.04Å; T98-F144 HydrophobicContact CG2-CE2 4.15Å; T98-F144 HydrophobicContact CG2-CZ 3.73Å; T98-G165 WeakPolarHBondContact CB-O 3.21Å; T98-G165 VanDerWaalsContact CG2-O 3.28Å; T98-G165 WeakPolarHBondContact CG2-O 2.91Å; T98-G165 PolarHBondContact OG1-O 2.94Å; T98-A167 HydrophobicContact CG2-CB 3.65Å
99H96Very high93.7Very high64 Ų6434.4 Ų34.430%0.29617%0.169SC..Hα-helixtrans-55.2-46.5179.5-72.3-86.9000113K102 A103 T141 D143 Y289H99-K102 PolarHBondContact O-N 3.23Å; H99-A103 PolarHBondContact O-N 3.43Å; H99-A103 VanDerWaalsContact O-N 3.14Å; H99-T141 VanDerWaalsContact CE1-CB 3.47Å; H99-T141 WeakPolarHBondContact CE1-CB 3.44Å; H99-T141 PolarHBondContact CE1-OG1 3.46Å; H99-T141 PolarHBondContact NE2-OG1 2.84Å; H99-D143 IonicContact CD2-OD1 2.93Å; H99-D143 PolarHBondContact CD2-OD1 3.44Å; H99-D143 IonicContact NE2-OD1 3.87Å; H99-D143 PolarHBondContact NE2-OD1 3.19Å; H99-Y289 HydrophobicContact CB-CE1 3.73Å; H99-Y289 PolarHBondContact O-OH 2.88Å
100A94.1Very high93.5Very high4 Ų433.8 Ų33.83%0.03317%0.168CC..Hα-helixtrans-66.4-4217900000111.8T98 K102 A103 I104 L164 Y289T98-A100 VanDerWaalsContact C-N 3.34Å; T98-A100 PolarHBondContact O-N 3.43Å; A100-K102 PolarHBondContact O-N 3Å; A100-A103 PolarHBondContact O-N 3.49Å; A100-I104 WeakPolarHBondContact O-CG1 3.33Å; A100-I104 PolarHBondContact O-N 3.02Å; A100-L164 HydrophobicContact CB-CG 4.19Å; A100-Y289 HydrophobicContact CB-CD1 4.08Å; A100-Y289 HydrophobicContact CB-CD2 3.99Å; A100-Y289 HydrophobicContact CB-CE1 4.46Å; A100-Y289 HydrophobicContact CB-CE2 4.4Å; A100-Y289 HydrophobicContact CB-CG 3.83Å
101T96Very high93.2Very high0 Ų032.6 Ų32.60%015%0.152CC..Hα-helixtrans-58.8-47.6176.2-660000111.3F74 M97 T98 A103 I104 Y105 G165F74-T101 HydrophobicContact CB-CG2 4.16Å; M97-T101 HydrophobicContact CB-CG2 4.11Å; M97-T101 HydrophobicContact CG-CG2 3.86Å; M97-T101 HydrophobicContact SD-CG2 3.9Å; T98-T101 PolarHBondContact O-N 2.86Å; T98-T101 WeakPolarHBondContact OG1-CB 3.24Å; T98-T101 PolarHBondContact OG1-N 2.82Å; T98-T101 PolarHBondContact OG1-OG1 2.67Å; T101-A103 VanDerWaalsContact C-N 3.34Å; T101-A103 PolarHBondContact O-N 3.17Å; T101-I104 PolarHBondContact O-N 2.94Å; T101-Y105 WeakPolarHBondContact O-CB 3.33Å; T101-Y105 PolarHBondContact O-N 2.9Å; T101-G165 PolarHBondContact OG1-O 3.19Å
102K96.1Very high92.9Very high56 Ų5634.1 Ų34.124%0.24316%0.157CC..Hα-helixtrans-61.3-39.8177.7-173.6178.7-179.8176.90112.6M97 T98 H99 A100 L136 I139 T141M97-K102 HydrophobicContact CB-CB 4.17Å; M97-K102 HydrophobicContact SD-CB 4.15Å; T98-K102 PolarHBondContact O-N 3.37Å; H99-K102 PolarHBondContact O-N 3.23Å; A100-K102 PolarHBondContact O-N 3Å; K102-L136 VanDerWaalsContact CE-O 3.31Å; K102-L136 WeakPolarHBondContact CE-O 3.49Å; K102-L136 HydrophobicContact CG-CD2 4.22Å; K102-L136 PolarHBondContact NZ-O 2.78Å; K102-I139 HydrophobicContact CD-CB 4.44Å; K102-I139 HydrophobicContact CD-CG2 4Å; K102-I139 WeakPolarHBondContact CE-O 3.3Å; K102-I139 HydrophobicContact CG-CG2 4.17Å; K102-I139 PolarHBondContact NZ-O 2.84Å; K102-T141 HydrophobicContact CB-CG2 4.08Å; K102-T141 HydrophobicContact CD-CG2 3.49Å; K102-T141 VanDerWaalsContact CD-CG2 3.49Å; K102-T141 HydrophobicContact CG-CG2 4.4Å
103A93.6Very high92.6Very high25 Ų2526.4 Ų26.421%0.20712%0.124CC..Hα-helixtrans-67.8-40.3179.600000112.6H99 A100 T101 Y107 V285 Y289H99-A103 PolarHBondContact O-N 3.43Å; H99-A103 VanDerWaalsContact O-N 3.14Å; A100-A103 PolarHBondContact O-N 3.49Å; T101-A103 VanDerWaalsContact C-N 3.34Å; T101-A103 PolarHBondContact O-N 3.17Å; A103-Y107 WeakPolarHBondContact O-CD2 3Å; A103-V285 HydrophobicContact CB-CG1 3.97Å; A103-Y289 HydrophobicContact CB-CE2 3.56Å
104I92.8Very high91.8Very high0 Ų029.8 Ų29.80%014%0.135CC..Hα-helixtrans-75.4-40.4-180-65.9174.1000111.2F74 A100 T101 R106 Y107 L108 L164 L247 V285 Y286F74-I104 HydrophobicContact CB-CB 4.15Å; F74-I104 HydrophobicContact CB-CG2 3.88Å; F74-I104 HydrophobicContact CD1-CB 3.92Å; F74-I104 HydrophobicContact CD1-CD1 3.61Å; F74-I104 HydrophobicContact CD1-CG1 4.34Å; F74-I104 HydrophobicContact CD1-CG2 3.71Å; F74-I104 HydrophobicContact CD2-CG2 3.6Å; F74-I104 HydrophobicContact CE1-CB 4.44Å; F74-I104 HydrophobicContact CE1-CD1 3.38Å; F74-I104 HydrophobicContact CE1-CG1 4.48Å; F74-I104 HydrophobicContact CE1-CG2 4.06Å; F74-I104 HydrophobicContact CE2-CG2 3.98Å; F74-I104 HydrophobicContact CG-CB 3.99Å; F74-I104 HydrophobicContact CG-CD1 4.45Å; F74-I104 HydrophobicContact CG-CG2 3.44Å; F74-I104 VanDerWaalsContact CG-CG2 3.44Å; F74-I104 HydrophobicContact CZ-CD1 4.09Å; F74-I104 HydrophobicContact CZ-CG2 4.17Å; A100-I104 WeakPolarHBondContact O-CG1 3.33Å; A100-I104 PolarHBondContact O-N 3.02Å; T101-I104 PolarHBondContact O-N 2.94Å; I104-R106 VanDerWaalsContact C-N 3.27Å; I104-R106 PolarHBondContact O-N 3.24Å; I104-Y107 PolarHBondContact O-N 2.92Å; I104-L108 PolarHBondContact O-N 2.79Å; I104-L164 HydrophobicContact CD1-CB 4.34Å; I104-L164 HydrophobicContact CD1-CD2 4.25Å; I104-L247 HydrophobicContact CG1-CD2 4.49Å; I104-L247 HydrophobicContact CG2-CB 4.06Å; I104-L247 HydrophobicContact CG2-CD1 3.58Å; I104-L247 HydrophobicContact CG2-CD2 4.09Å; I104-L247 HydrophobicContact CG2-CG 4.1Å; I104-V285 HydrophobicContact CD1-CG1 4.24Å; I104-V285 HydrophobicContact CG1-CG1 3.52Å; I104-Y286 HydrophobicContact CD1-CE2 4.15Å
105Y94.2Very high90.9Very high0 Ų026.1 Ų26.10%012%0.121CC..Hα-helixtrans-44.5-49.6179.3165.8-94.7000112.6C79 L82 P83 M97 T101 Y107 L108 L109 I132 S135 L136 I139C79-Y105 HydrophobicContact CB-CD2 4Å; C79-Y105 HydrophobicContact CB-CE2 4.21Å; L82-Y105 HydrophobicContact CB-CE2 4.17Å; L82-Y105 HydrophobicContact CD2-CE2 3.88Å; P83-Y105 WeakPolarHBondContact CD-OH 3.31Å; P83-Y105 VanDerWaalsContact CG-OH 3.27Å; P83-Y105 WeakPolarHBondContact CG-OH 3.42Å; M97-Y105 HydrophobicContact CE-CD2 3.67Å; M97-Y105 HydrophobicContact CE-CE2 3.93Å; M97-Y105 HydrophobicContact CE-CG 4.05Å; M97-Y105 HydrophobicContact SD-CD2 4.48Å; M97-Y105 HydrophobicContact SD-CG 4.31Å; T101-Y105 WeakPolarHBondContact O-CB 3.33Å; T101-Y105 PolarHBondContact O-N 2.9Å; Y105-Y107 VanDerWaalsContact C-N 3.31Å; Y105-Y107 PolarHBondContact O-N 3.14Å; Y105-L108 PolarHBondContact O-N 3.4Å; Y105-L109 HydrophobicContact CD2-CD1 3.91Å; Y105-L109 HydrophobicContact CD2-CG 4.06Å; Y105-L109 HydrophobicContact CE1-CD1 4.1Å; Y105-L109 HydrophobicContact CE2-CD1 3.26Å; Y105-L109 HydrophobicContact CE2-CG 3.93Å; Y105-L109 WeakPolarHBondContact O-CG 3.41Å; Y105-L109 PolarHBondContact O-N 3.33Å; Y105-I132 HydrophobicContact CE1-CG2 4.47Å; Y105-S135 WeakPolarHBondContact CE1-OG 3.34Å; Y105-S135 PolarHBondContact OH-OG 2.9Å; Y105-L136 HydrophobicContact CD1-CD2 3.71Å; Y105-L136 HydrophobicContact CE1-CD2 3.97Å; Y105-I139 HydrophobicContact CD1-CD1 4.28Å; Y105-I139 HydrophobicContact CE1-CD1 3.78Å
106R91.5Very high89.7Confident111 Ų11128.5 Ų28.542%0.41914%0.137SC..Hα-helixtrans-53.6-47.9179.2178.6-178.4-179.2152.53.4112.3I104 A110 L136I104-R106 VanDerWaalsContact C-N 3.27Å; I104-R106 PolarHBondContact O-N 3.24Å; R106-A110 WeakPolarHBondContact O-CB 3.3Å; R106-A110 PolarHBondContact O-N 3.12Å; R106-L136 HydrophobicContact CB-CD1 4.13Å; R106-L136 HydrophobicContact CB-CD2 4.38Å; R106-L136 HydrophobicContact CG-CD1 4.04Å
107Y88.8Confident88.1Confident57 Ų5730.4 Ų30.422%0.22415%0.149CC..Hα-helixtrans-78.6-38.4-173.4-61.7-60.2000111.6A103 I104 Y105 A110 D111 L278 K281 V285A103-Y107 WeakPolarHBondContact O-CD2 3Å; I104-Y107 PolarHBondContact O-N 2.92Å; Y105-Y107 VanDerWaalsContact C-N 3.31Å; Y105-Y107 PolarHBondContact O-N 3.14Å; Y107-A110 PolarHBondContact O-N 2.79Å; Y107-D111 PolarHBondContact O-N 2.86Å; Y107-L278 HydrophobicContact CD1-CD2 4.35Å; Y107-L278 WeakPolarHBondContact O-CD1 3.48Å; Y107-K281 HydrophobicContact CD1-CB 4.4Å; Y107-K281 HydrophobicContact CD1-CD 3.95Å; Y107-K281 HydrophobicContact CE1-CB 4.31Å; Y107-K281 HydrophobicContact CE1-CD 3.6Å; Y107-K281 HydrophobicContact CE1-CG 4.47Å; Y107-V285 HydrophobicContact CD2-CG2 4.09Å; Y107-V285 HydrophobicContact CE2-CG2 3.8Å
108L89.2Confident86.3Confident6 Ų634.8 Ų34.83%0.03118%0.18CC..Hα-helixtrans-67-37.4178.5-168.680000112.5F74 L76 I104 Y105 D111 F112 L247F74-L108 HydrophobicContact CD2-CD2 4.1Å; F74-L108 WeakPolarHBondContact O-CD2 3.4Å; L76-L108 HydrophobicContact CD2-CD2 3.98Å; L76-L108 HydrophobicContact CD2-CG 4.19Å; L76-L108 HydrophobicContact CG-CD2 3.98Å; L76-L108 HydrophobicContact CG-CG 4.39Å; I104-L108 PolarHBondContact O-N 2.79Å; Y105-L108 PolarHBondContact O-N 3.4Å; L108-D111 VanDerWaalsContact O-CA 3.22Å; L108-D111 WeakPolarHBondContact O-CA 3.48Å; L108-D111 WeakPolarHBondContact O-CB 3.36Å; L108-F112 PolarHBondContact O-N 2.87Å; L108-L247 HydrophobicContact CB-CD1 4.29Å; L108-L247 HydrophobicContact CD1-CB 4.29Å; L108-L247 HydrophobicContact CD1-CD1 4.25Å
109L90Very high84.2Confident0 Ų038.5 Ų38.50%022%0.219CC..Hα-helixtrans-71.4-33.2174.6-64.7-160.2000111.9L76 P83 Y105 F112 V113 Y127 I132L76-L109 HydrophobicContact CD2-CD2 3.51Å; P83-L109 HydrophobicContact CG-CD1 3.45Å; P83-L109 VanDerWaalsContact CG-CD1 3.45Å; Y105-L109 HydrophobicContact CD2-CD1 3.91Å; Y105-L109 HydrophobicContact CD2-CG 4.06Å; Y105-L109 HydrophobicContact CE1-CD1 4.1Å; Y105-L109 HydrophobicContact CE2-CD1 3.26Å; Y105-L109 HydrophobicContact CE2-CG 3.93Å; Y105-L109 WeakPolarHBondContact O-CG 3.41Å; Y105-L109 PolarHBondContact O-N 3.33Å; L109-F112 PolarHBondContact O-N 2.95Å; L109-V113 WeakPolarHBondContact O-CB 3.47Å; L109-V113 WeakPolarHBondContact O-CG2 3.44Å; L109-V113 PolarHBondContact O-N 2.78Å; L109-Y127 HydrophobicContact CD1-CE2 4.3Å; L109-I132 HydrophobicContact CB-CD1 3.53Å; L109-I132 HydrophobicContact CB-CG1 3.95Å; L109-I132 HydrophobicContact CB-CG2 4.11Å; L109-I132 HydrophobicContact CD1-CG1 4.28Å; L109-I132 HydrophobicContact CD1-CG2 4.48Å
110A86.8Confident82.3Confident22 Ų2237.2 Ų37.218%0.18222%0.223CC..Hα-helixtrans-67.8-54.8178.500000113.1R106 Y107 V113 R114R106-A110 WeakPolarHBondContact O-CB 3.3Å; R106-A110 PolarHBondContact O-N 3.12Å; Y107-A110 PolarHBondContact O-N 2.79Å; A110-V113 PolarHBondContact O-N 2.84Å; A110-R114 WeakPolarHBondContact O-CB 3.26Å; A110-R114 PolarHBondContact O-N 3.46Å
111D83.5Confident80.5Confident11 Ų1142.8 Ų42.86%0.05925%0.251CS..Hα-helix27.2-116.2116.1-103.229.7000121.9Y107 L108 V113 R114 V115 L278Y107-D111 PolarHBondContact O-N 2.86Å; L108-D111 VanDerWaalsContact O-CA 3.22Å; L108-D111 WeakPolarHBondContact O-CA 3.48Å; L108-D111 WeakPolarHBondContact O-CB 3.36Å; D111-V113 VanDerWaalsContact C-N 3.31Å; D111-V113 PolarHBondContact O-N 3.01Å; D111-R114 WeakPolarHBondContact O-CB 3.11Å; D111-R114 PolarHBondContact O-N 2.84Å; D111-R114 VanDerWaalsContact O-N 3.12Å; D111-R114 IonicContact OD1-CZ 3.72Å; D111-R114 IonicContact OD1-NE 3.32Å; D111-R114 IonicContact OD1-NH2 3.42Å; D111-R114 PolarHBondContact OD1-NH2 3.37Å; D111-V115 WeakPolarHBondContact O-CG2 3.18Å; D111-V115 PolarHBondContact O-N 3.34Å; D111-L278 HydrophobicContact CB-CD1 3.35Å
112F84Confident78.7Confident47 Ų4747.5 Ų47.521%0.20628%0.282CS..Hα-helixtrans-47.6-46.3176.1171.6-105.1000113.6I44 L76 L108 L109 R114 V115 S116 Y127I44-F112 HydrophobicContact CD1-CD1 4.17Å; I44-F112 HydrophobicContact CD1-CD2 3.88Å; I44-F112 HydrophobicContact CD1-CE1 3.63Å; I44-F112 HydrophobicContact CD1-CE2 3.29Å; I44-F112 HydrophobicContact CD1-CG 4.27Å; I44-F112 HydrophobicContact CD1-CZ 3.16Å; L76-F112 HydrophobicContact CD1-CB 4.01Å; L76-F112 HydrophobicContact CD1-CD2 3.81Å; L76-F112 HydrophobicContact CD1-CG 4.14Å; L76-F112 HydrophobicContact CD2-CB 3.77Å; L76-F112 HydrophobicContact CD2-CD2 4.48Å; L76-F112 HydrophobicContact CD2-CG 4.05Å; L108-F112 PolarHBondContact O-N 2.87Å; L109-F112 PolarHBondContact O-N 2.95Å; F112-R114 VanDerWaalsContact C-N 3.33Å; F112-R114 PolarHBondContact O-N 2.76Å; F112-V115 PolarHBondContact O-N 2.87Å; F112-S116 WeakPolarHBondContact CE2-OG 3.29Å; F112-S116 WeakPolarHBondContact CZ-OG 3.5Å; F112-S116 VanDerWaalsContact O-CB 3.23Å; F112-S116 WeakPolarHBondContact O-CB 3.27Å; F112-S116 PolarHBondContact O-N 2.83Å; F112-S116 PolarHBondContact O-OG 3.39Å; F112-Y127 WeakPolarHBondContact CD1-OH 3.31Å
113V83.3Confident77Confident9 Ų952.6 Ų52.66%0.05531%0.312CS..Hα-helixtrans-62.4-42.2179.8169.60000110.5L109 A110 D111 N117 Y127 I132L109-V113 WeakPolarHBondContact O-CB 3.47Å; L109-V113 WeakPolarHBondContact O-CG2 3.44Å; L109-V113 PolarHBondContact O-N 2.78Å; A110-V113 PolarHBondContact O-N 2.84Å; D111-V113 VanDerWaalsContact C-N 3.31Å; D111-V113 PolarHBondContact O-N 3.01Å; V113-N117 VanDerWaalsContact CG1-ND2 3.31Å; V113-N117 WeakPolarHBondContact CG1-ND2 3.25Å; V113-N117 WeakPolarHBondContact O-CB 3.27Å; V113-N117 PolarHBondContact O-N 2.95Å; V113-N117 PolarHBondContact O-ND2 3.46Å; V113-Y127 HydrophobicContact CG2-CD2 3.87Å; V113-Y127 HydrophobicContact CG2-CE2 3.49Å; V113-Y127 VanDerWaalsContact CG2-CE2 3.49Å; V113-I132 HydrophobicContact CB-CD1 4.42Å; V113-I132 HydrophobicContact CG2-CD1 3.74Å
114R79.1Confident75.7Confident83 Ų8355.7 Ų55.731%0.31332%0.322SS..Hα-helixtrans-64.2-46.3176.6-178.8-179.663.1-143.7-0.8112.1A110 D111 F112 S116 N117 S118 Q277A110-R114 WeakPolarHBondContact O-CB 3.26Å; A110-R114 PolarHBondContact O-N 3.46Å; D111-R114 WeakPolarHBondContact O-CB 3.11Å; D111-R114 PolarHBondContact O-N 2.84Å; D111-R114 VanDerWaalsContact O-N 3.12Å; D111-R114 IonicContact OD1-CZ 3.72Å; D111-R114 IonicContact OD1-NE 3.32Å; D111-R114 IonicContact OD1-NH2 3.42Å; D111-R114 PolarHBondContact OD1-NH2 3.37Å; F112-R114 VanDerWaalsContact C-N 3.33Å; F112-R114 PolarHBondContact O-N 2.76Å; R114-S116 VanDerWaalsContact C-N 3.34Å; R114-N117 PolarHBondContact O-N 3.26Å; R114-S118 PolarHBondContact O-OG 3.27Å; R114-S118 VanDerWaalsContact O-OG 3.11Å; R114-Q277 VanDerWaalsContact CZ-OE1 3.27Å
115V76.1Confident75Confident24 Ų2458.9 Ų58.915%0.14534%0.339CS..Hα-helixtrans-68.7-32.4-178.5174.50000112.1D111 F112 S118 P333 S338D111-V115 WeakPolarHBondContact O-CG2 3.18Å; D111-V115 PolarHBondContact O-N 3.34Å; F112-V115 PolarHBondContact O-N 2.87Å; V115-S118 PolarHBondContact O-OG 2.76Å; V115-P333 HydrophobicContact CG1-CG 4.39Å; V115-S338 VanDerWaalsContact CG1-OG 3.22Å; V115-S338 WeakPolarHBondContact CG1-OG 3.17Å; V115-S338 PolarHBondContact O-OG 2.8Å
116S74.5Confident74.5Confident50 Ų5060 Ų6035%0.3535%0.345SS..Hα-helixtrans-78.3-31.9176.6-560000112.4F112 R114 S118F112-S116 WeakPolarHBondContact CE2-OG 3.29Å; F112-S116 WeakPolarHBondContact CZ-OG 3.5Å; F112-S116 VanDerWaalsContact O-CB 3.23Å; F112-S116 WeakPolarHBondContact O-CB 3.27Å; F112-S116 PolarHBondContact O-N 2.83Å; F112-S116 PolarHBondContact O-OG 3.39Å; R114-S116 VanDerWaalsContact C-N 3.34Å; S116-S118 PolarHBondContact O-N 2.83Å
117N65.6Low74.4Confident67 Ų6755 Ų5536%0.35833%0.326SS..THydrogen-bonded Turntrans-69.9-14.5179.1-85.7-30.7000114.5V113 R114 G119 L125V113-N117 VanDerWaalsContact CG1-ND2 3.31Å; V113-N117 WeakPolarHBondContact CG1-ND2 3.25Å; V113-N117 WeakPolarHBondContact O-CB 3.27Å; V113-N117 PolarHBondContact O-N 2.95Å; V113-N117 PolarHBondContact O-ND2 3.46Å; R114-N117 PolarHBondContact O-N 3.26Å; N117-G119 PolarHBondContact O-N 3.08Å; N117-L125 WeakPolarHBondContact OD1-CD1 3.36Å; N117-L125 WeakPolarHBondContact OD1-CD2 3.45Å; N117-L125 WeakPolarHBondContact OD1-CG 3.33Å
118S59.2Low74.5Confident92 Ų9254.4 Ų54.464%0.64333%0.33SS*.THydrogen-bonded Turntrans-65.6-7.3-173.5-430000114.3R114 V115 S116R114-S118 PolarHBondContact O-OG 3.27Å; R114-S118 VanDerWaalsContact O-OG 3.11Å; V115-S118 PolarHBondContact O-OG 2.76Å; S116-S118 PolarHBondContact O-N 2.83Å
119G54Low74.5Confident80 Ų8058.4 Ų58.483%0.82535%0.352SS*.SBendtrans-154.211.1175.800000116.4N117N117-G119 PolarHBondContact O-N 3.08Å
120G55.2Low74.6Confident38 Ų3868.5 Ų68.539%0.39239%0.39SS..  trans-97.3147.8-17600000114
121L56.5Low74.9Confident120 Ų12068.9 Ų68.963%0.62839%0.389SS*.  trans-66.9141.2164.9-77.1158.7000109.3D123 Q124L121-D123 PolarHBondContact O-N 3.16Å; L121-D123 VanDerWaalsContact O-N 3.07Å; L121-Q124 HydrophobicContact CB-CG 4.33Å; L121-Q124 WeakPolarHBondContact O-CB 3.49Å; L121-Q124 PolarHBondContact O-N 2.86Å
122P58.2Low75.4Confident100 Ų10068.3 Ų68.365%0.64939%0.386SS*.G310 helixtrans-52.1-35.3-177.7-2733.2000114.4Q124 L125P122-Q124 PolarHBondContact O-N 2.84Å; P122-L125 PolarHBondContact O-N 3.45Å
123D61.5Low76Confident163 Ų16368.8 Ų68.887%0.87239%0.392SS*.G310 helixtrans-71.1-8-177.9-66.5-16.9000114.1L121L121-D123 PolarHBondContact O-N 3.16Å; L121-D123 VanDerWaalsContact O-N 3.07Å
124Q66Low76.6Confident89 Ų8970.2 Ų70.242%0.41641%0.405SS..G310 helixtrans-94.9-4.3-179.7-64.5-172.13.900113.3N50 L121 P122N50-Q124 PolarHBondContact ND2-OE1 3.49Å; N50-Q124 VanDerWaalsContact ND2-OE1 3.1Å; N50-Q124 PolarHBondContact OD1-O 3.49Å; L121-Q124 HydrophobicContact CB-CG 4.33Å; L121-Q124 WeakPolarHBondContact O-CB 3.49Å; L121-Q124 PolarHBondContact O-N 2.86Å; P122-Q124 PolarHBondContact O-N 2.84Å
125L77.3Confident77.4Confident68 Ų6866.2 Ų66.236%0.35639%0.39SS..  trans-72.5131.6-177.7-74.2163000112.2N117 P122 Y127N117-L125 WeakPolarHBondContact OD1-CD1 3.36Å; N117-L125 WeakPolarHBondContact OD1-CD2 3.45Å; N117-L125 WeakPolarHBondContact OD1-CG 3.33Å; P122-L125 PolarHBondContact O-N 3.45Å; L125-Y127 VanDerWaalsContact C-N 3.3Å; L125-Y127 PolarHBondContact O-N 3.38Å
126L85.2Confident78.4Confident22 Ų2266 Ų6612%0.11539%0.388CS..SBendtrans-62.9-39.6173.7-70.6178.3000112.1I44 N50 L54I44-L126 HydrophobicContact CG2-CD1 3.83Å; N50-L126 WeakPolarHBondContact O-CD2 3.32Å; L54-L126 HydrophobicContact CD1-CD2 3.73Å; L54-L126 HydrophobicContact CD2-CD1 4.2Å; L54-L126 HydrophobicContact CD2-CD2 4.18Å; L54-L126 HydrophobicContact CG-CD1 4.46Å; L54-L126 HydrophobicContact CG-CD2 3.8Å
127Y89.4Confident79.3Confident7 Ų770.5 Ų70.53%0.02741%0.408CS..  trans-168160.8-179.150-97.6000110.4G80 P83 H84 L109 F112 V113 L125 I132G80-Y127 WeakPolarHBondContact O-CE1 3.4Å; G80-Y127 PolarHBondContact O-OH 2.95Å; P83-Y127 HydrophobicContact CB-CD1 3.78Å; P83-Y127 HydrophobicContact CB-CD2 3.95Å; P83-Y127 HydrophobicContact CB-CE1 4.22Å; P83-Y127 HydrophobicContact CB-CE2 4.34Å; P83-Y127 HydrophobicContact CB-CG 3.65Å; P83-Y127 HydrophobicContact CG-CD1 3.98Å; P83-Y127 HydrophobicContact CG-CD2 3.9Å; P83-Y127 HydrophobicContact CG-CE1 3.9Å; P83-Y127 HydrophobicContact CG-CE2 3.79Å; P83-Y127 HydrophobicContact CG-CG 4Å; H84-Y127 HydrophobicContact CB-CD1 4.42Å; L109-Y127 HydrophobicContact CD1-CE2 4.3Å; F112-Y127 WeakPolarHBondContact CD1-OH 3.31Å; V113-Y127 HydrophobicContact CG2-CD2 3.87Å; V113-Y127 HydrophobicContact CG2-CE2 3.49Å; V113-Y127 VanDerWaalsContact CG2-CE2 3.49Å; L125-Y127 VanDerWaalsContact C-N 3.3Å; L125-Y127 PolarHBondContact O-N 3.38Å; Y127-I132 HydrophobicContact CD2-CD1 4.21Å; Y127-I132 HydrophobicContact CD2-CG1 3.73Å; Y127-I132 HydrophobicContact CE2-CD1 3.93Å; Y127-I132 HydrophobicContact CE2-CG1 3.72Å
128S89.2Confident80.8Confident45 Ų4572 Ų7232%0.31541%0.413SS..  trans-97.6170.1178.569.40000112.7R130 D131 I132S128-R130 PolarHBondContact O-N 2.95Å; S128-R130 PolarHBondContact OG-N 2.91Å; S128-D131 WeakPolarHBondContact CB-OD2 3.48Å; S128-D131 PolarHBondContact N-OD2 3.41Å; S128-D131 WeakPolarHBondContact O-CB 3.36Å; S128-D131 PolarHBondContact O-N 3.36Å; S128-D131 PolarHBondContact OG-N 3.38Å; S128-D131 PolarHBondContact OG-OD2 3.43Å; S128-I132 PolarHBondContact O-N 2.85Å
129D89.4Confident82.6Confident89 Ų8967.7 Ų67.748%0.47638%0.382SS..Hα-helixtrans-57.6-33.3171.1-172.472.5000112.4I132 V133D129-I132 PolarHBondContact O-N 3.27Å; D129-V133 WeakPolarHBondContact O-CG2 3.4Å; D129-V133 PolarHBondContact O-N 2.87Å
130R92.6Very high84.7Confident213 Ų21366.5 Ų66.580%0.80436%0.357SS*.Hα-helixtrans-65.2-39.4174.3-66.3-177.1178.8178.50.2112S128 V133 A134S128-R130 PolarHBondContact O-N 2.95Å; S128-R130 PolarHBondContact OG-N 2.91Å; R130-V133 PolarHBondContact O-N 2.8Å; R130-A134 WeakPolarHBondContact O-CB 3.36Å; R130-A134 PolarHBondContact O-N 3.41Å
131D94.2Very high86.7Confident29 Ų2967 Ų6716%0.15535%0.352CS..Hα-helixtrans-67.3-37.5175.8-62.9-67.7000110.9L87 K88 S128 V133 A134 S135L87-D131 HydrophobicContact CD1-CB 3.8Å; L87-D131 WeakPolarHBondContact CD1-O 3.41Å; K88-D131 WeakPolarHBondContact CE-OD1 3.34Å; K88-D131 IonicContact NZ-OD1 3.19Å; K88-D131 PolarHBondContact NZ-OD1 3.25Å; K88-D131 IonicContact NZ-OD2 3.78Å; S128-D131 WeakPolarHBondContact CB-OD2 3.48Å; S128-D131 PolarHBondContact N-OD2 3.41Å; S128-D131 WeakPolarHBondContact O-CB 3.36Å; S128-D131 PolarHBondContact O-N 3.36Å; S128-D131 PolarHBondContact OG-N 3.38Å; S128-D131 PolarHBondContact OG-OD2 3.43Å; D131-V133 PolarHBondContact O-N 2.6Å; D131-A134 PolarHBondContact O-N 2.93Å; D131-S135 WeakPolarHBondContact O-CB 3.28Å; D131-S135 PolarHBondContact O-N 3.1Å
132I93.7Very high88.7Confident0 Ų061.2 Ų61.20%032%0.322CS..Hα-helixtrans-59-49.6173.4-63.2167000110P83 Y105 L109 V113 Y127 S128 D129 A134 S135 L136P83-I132 HydrophobicContact CG-CG1 4.4Å; Y105-I132 HydrophobicContact CE1-CG2 4.47Å; L109-I132 HydrophobicContact CB-CD1 3.53Å; L109-I132 HydrophobicContact CB-CG1 3.95Å; L109-I132 HydrophobicContact CB-CG2 4.11Å; L109-I132 HydrophobicContact CD1-CG1 4.28Å; L109-I132 HydrophobicContact CD1-CG2 4.48Å; V113-I132 HydrophobicContact CB-CD1 4.42Å; V113-I132 HydrophobicContact CG2-CD1 3.74Å; Y127-I132 HydrophobicContact CD2-CD1 4.21Å; Y127-I132 HydrophobicContact CD2-CG1 3.73Å; Y127-I132 HydrophobicContact CE2-CD1 3.93Å; Y127-I132 HydrophobicContact CE2-CG1 3.72Å; S128-I132 PolarHBondContact O-N 2.85Å; D129-I132 PolarHBondContact O-N 3.27Å; I132-A134 PolarHBondContact O-N 3.21Å; I132-S135 PolarHBondContact O-N 2.98Å; I132-S135 PolarHBondContact O-OG 3.04Å; I132-L136 PolarHBondContact O-N 3.06Å
133V95.1Very high90.6Very high57 Ų5760.7 Ų60.735%0.34531%0.314SS..Hα-helixtrans-62.1-45.1179.6175.40000111.1D129 R130 D131 S135 L136D129-V133 WeakPolarHBondContact O-CG2 3.4Å; D129-V133 PolarHBondContact O-N 2.87Å; R130-V133 PolarHBondContact O-N 2.8Å; D131-V133 PolarHBondContact O-N 2.6Å; V133-S135 VanDerWaalsContact C-N 3.28Å; V133-S135 PolarHBondContact O-N 3.06Å; V133-L136 WeakPolarHBondContact O-CB 3.45Å; V133-L136 PolarHBondContact O-N 2.87Å
134A96.2Very high92.2Very high38 Ų3854.9 Ų54.931%0.31428%0.281SS..Hα-helixtrans-62.2-35177.200000112.4L87 R130 D131 I132 L136 D137 H138L87-A134 HydrophobicContact CD1-CB 3.99Å; L87-A134 HydrophobicContact CD2-CB 4.48Å; R130-A134 WeakPolarHBondContact O-CB 3.36Å; R130-A134 PolarHBondContact O-N 3.41Å; D131-A134 PolarHBondContact O-N 2.93Å; I132-A134 PolarHBondContact O-N 3.21Å; A134-L136 PolarHBondContact O-N 3.02Å; A134-D137 PolarHBondContact O-N 3.12Å; A134-H138 PolarHBondContact O-CD2 3.2Å
135S96.4Very high93.7Very high0 Ų055.6 Ų55.60%028%0.284CS..Hα-helixtrans-63.8-27.117875.90000113.2Y105 D131 I132 V133 D137 H138 I139Y105-S135 WeakPolarHBondContact CE1-OG 3.34Å; Y105-S135 PolarHBondContact OH-OG 2.9Å; D131-S135 WeakPolarHBondContact O-CB 3.28Å; D131-S135 PolarHBondContact O-N 3.1Å; I132-S135 PolarHBondContact O-N 2.98Å; I132-S135 PolarHBondContact O-OG 3.04Å; V133-S135 VanDerWaalsContact C-N 3.28Å; V133-S135 PolarHBondContact O-N 3.06Å; S135-D137 PolarHBondContact O-N 3.07Å; S135-H138 PolarHBondContact O-N 2.78Å; S135-H138 VanDerWaalsContact O-N 3.1Å; S135-I139 WeakPolarHBondContact O-CD1 3.49Å; S135-I139 WeakPolarHBondContact O-CG1 3.34Å
136L96.2Very high94.6Very high20 Ų2056 Ų5611%0.10528%0.284CS..G310 helixtrans-63.8-27.7179.9-68.5169.5000113.4K102 Y105 R106 I132 V133 A134 H138 I139K102-L136 VanDerWaalsContact CE-O 3.31Å; K102-L136 WeakPolarHBondContact CE-O 3.49Å; K102-L136 HydrophobicContact CG-CD2 4.22Å; K102-L136 PolarHBondContact NZ-O 2.78Å; Y105-L136 HydrophobicContact CD1-CD2 3.71Å; Y105-L136 HydrophobicContact CE1-CD2 3.97Å; R106-L136 HydrophobicContact CB-CD1 4.13Å; R106-L136 HydrophobicContact CB-CD2 4.38Å; R106-L136 HydrophobicContact CG-CD1 4.04Å; I132-L136 PolarHBondContact O-N 3.06Å; V133-L136 WeakPolarHBondContact O-CB 3.45Å; V133-L136 PolarHBondContact O-N 2.87Å; A134-L136 PolarHBondContact O-N 3.02Å; L136-H138 VanDerWaalsContact C-N 3.25Å; L136-H138 PolarHBondContact O-N 3.48Å; L136-I139 PolarHBondContact O-N 2.96Å
137D95.2Very high95.2Very high143 Ų14360.3 Ų60.377%0.76530%0.303SS*.G310 helixtrans-75.4-17.5178.8-66.1-22000112.1A134 S135A134-D137 PolarHBondContact O-N 3.12Å; S135-D137 PolarHBondContact O-N 3.07Å
138H95.8Very high95.6Very high100 Ų10061.5 Ų61.546%0.46331%0.31SS..G310 helixtrans-94.9-5.4176.9-69.9-86.9000113.6L86 A134 S135 L136L86-H138 HydrophobicContact CD1-CB 4.07Å; A134-H138 PolarHBondContact O-CD2 3.2Å; S135-H138 PolarHBondContact O-N 2.78Å; S135-H138 VanDerWaalsContact O-N 3.1Å; L136-H138 VanDerWaalsContact C-N 3.25Å; L136-H138 PolarHBondContact O-N 3.48Å
139I97.9Very high96Very high1 Ų164.3 Ų64.31%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-104111.4-176.2-61.6164.2000108.8L82 L86 C95 M97 K102 Y105 S135 L136L82-I139 HydrophobicContact CD2-CD1 3.76Å; L82-I139 HydrophobicContact CD2-CG1 4.25Å; L86-I139 HydrophobicContact CD1-CD1 4.39Å; L86-I139 HydrophobicContact CD1-CG1 4Å; C95-I139 HydrophobicContact CB-CG1 4.45Å; M97-I139 HydrophobicContact CB-CG2 3.99Å; M97-I139 HydrophobicContact CE-CD1 3.97Å; M97-I139 HydrophobicContact CE-CG2 4.49Å; M97-I139 HydrophobicContact CG-CG2 3.87Å; M97-I139 HydrophobicContact SD-CD1 4.21Å; M97-I139 HydrophobicContact SD-CG2 3.72Å; K102-I139 HydrophobicContact CD-CB 4.44Å; K102-I139 HydrophobicContact CD-CG2 4Å; K102-I139 WeakPolarHBondContact CE-O 3.3Å; K102-I139 HydrophobicContact CG-CG2 4.17Å; K102-I139 PolarHBondContact NZ-O 2.84Å; Y105-I139 HydrophobicContact CD1-CD1 4.28Å; Y105-I139 HydrophobicContact CE1-CD1 3.78Å; S135-I139 WeakPolarHBondContact O-CD1 3.49Å; S135-I139 WeakPolarHBondContact O-CG1 3.34Å; L136-I139 PolarHBondContact O-N 2.96Å
140D98Very high96.3Very high55 Ų5560.8 Ų60.829%0.29430%0.3SS..EExtended strand (participates in β ladder)trans-81.7159.6169.2-70.5-40.1000109.9K94 C95 Y96 M97K94-D140 IonicContact NZ-OD2 3.36Å; K94-D140 PolarHBondContact NZ-OD2 2.96Å; C95-D140 PolarHBondContact O-N 2.82Å; Y96-D140 WeakPolarHBondContact CA-O 3.47Å; Y96-D140 HydrophobicContact CD1-CB 3.73Å; Y96-D140 HydrophobicContact CE1-CB 3.45Å; Y96-D140 VanDerWaalsContact CE1-CB 3.45Å; Y96-D140 HydrophobicContact CG-CB 4.39Å; M97-D140 PolarHBondContact N-O 3.25Å; M97-D140 VanDerWaalsContact N-O 3.13Å
141T97.8Very high96.3Very high47 Ų4755 Ų5529%0.28829%0.285SS..EExtended strand (participates in β ladder)trans-109.9147.6178.550.80000111.8M97 H99 K102M97-T141 CarbonylContact O-C 3.54Å; M97-T141 WeakPolarHBondContact O-CA 3.46Å; H99-T141 VanDerWaalsContact CE1-CB 3.47Å; H99-T141 WeakPolarHBondContact CE1-CB 3.44Å; H99-T141 PolarHBondContact CE1-OG1 3.46Å; H99-T141 PolarHBondContact NE2-OG1 2.84Å; K102-T141 HydrophobicContact CB-CG2 4.08Å; K102-T141 HydrophobicContact CD-CG2 3.49Å; K102-T141 VanDerWaalsContact CD-CG2 3.49Å; K102-T141 HydrophobicContact CG-CG2 4.4Å
142I98.1Very high96.2Very high0 Ų053.9 Ų53.90%028%0.281CS..EExtended strand (participates in β ladder)trans-124.4139.8173.7-175.4170.6000110Y96 M97 Q146 L148 F155 A157 F169Y96-I142 HydrophobicContact CD1-CB 4.28Å; M97-I142 PolarHBondContact O-N 2.91Å; I142-Q146 HydrophobicContact CG1-CB 4.3Å; I142-L148 HydrophobicContact CB-CD1 4.06Å; I142-L148 HydrophobicContact CD1-CB 4.5Å; I142-L148 HydrophobicContact CD1-CD1 3.87Å; I142-L148 HydrophobicContact CD1-CG 3.97Å; I142-L148 HydrophobicContact CG1-CD1 3.88Å; I142-L148 HydrophobicContact CG1-CG 4.23Å; I142-F155 HydrophobicContact CD1-CD2 3.81Å; I142-F155 HydrophobicContact CD1-CE2 3.7Å; I142-A157 HydrophobicContact CG2-CB 4.4Å; I142-F169 HydrophobicContact CG2-CE1 4.17Å
143D96.9Very high96.4Very high89 Ų8953.9 Ų53.948%0.47628%0.281SS..  trans-82.1151.5170.2-76.3-48.2000111.1H99 H145 Q146H99-D143 IonicContact CD2-OD1 2.93Å; H99-D143 PolarHBondContact CD2-OD1 3.44Å; H99-D143 IonicContact NE2-OD1 3.87Å; H99-D143 PolarHBondContact NE2-OD1 3.19Å; D143-H145 PolarHBondContact O-N 2.85Å; D143-Q146 HydrophobicContact CB-CB 4.18Å; D143-Q146 WeakPolarHBondContact O-CB 3.45Å; D143-Q146 PolarHBondContact O-N 2.87Å
144F96.1Very high96.5Very high41 Ų4154.3 Ų54.318%0.1828%0.278CS..BIsolated β-bridgetrans-59.2141.7171.4-69.7-79.1000110.3T98 Q146 A157 H159 A167T98-F144 HydrophobicContact CG2-CE1 4.04Å; T98-F144 HydrophobicContact CG2-CE2 4.15Å; T98-F144 HydrophobicContact CG2-CZ 3.73Å; F144-Q146 PolarHBondContact O-N 2.86Å; F144-Q146 VanDerWaalsContact O-N 3.07Å; F144-A157 WeakPolarHBondContact CA-O 3.37Å; F144-A157 HydrophobicContact CD1-CB 4.26Å; F144-H159 AromaticContact CD1-CE1 3.86Å; F144-H159 AromaticContact CD1-CG 3.91Å; F144-H159 AromaticContact CD1-ND1 3.74Å; F144-H159 AromaticContact CD2-CE1 3.26Å; F144-H159 WeakPolarHBondContact CD2-CE1 3.12Å; F144-H159 AromaticContact CD2-ND1 3.83Å; F144-H159 AromaticContact CD2-NE2 3.77Å; F144-H159 HydrophobicContact CE1-CB 4.43Å; F144-H159 AromaticContact CE1-CE1 3.96Å; F144-H159 AromaticContact CE1-CG 3.94Å; F144-H159 AromaticContact CE1-ND1 3.52Å; F144-H159 AromaticContact CE2-CE1 3.38Å; F144-H159 WeakPolarHBondContact CE2-CE1 3.49Å; F144-H159 AromaticContact CE2-ND1 3.61Å; F144-H159 AromaticContact CG-CE1 3.5Å; F144-H159 AromaticContact CG-ND1 3.88Å; F144-H159 AromaticContact CG-NE2 3.63Å; F144-H159 AromaticContact CZ-CE1 3.73Å; F144-H159 AromaticContact CZ-ND1 3.44Å; F144-H159 WeakPolarHBondContact CZ-ND1 3.5Å; F144-A167 HydrophobicContact CE1-CB 3.93Å
145H96.5Very high96.6Very high103 Ų10352.6 Ų52.648%0.47726%0.263SS..THydrogen-bonded Turntrans64.12.1-178.5-42122.2000116.2D143 A157 Y158 E196D143-H145 PolarHBondContact O-N 2.85Å; H145-A157 PolarHBondContact N-O 2.99Å; H145-Y158 AromaticContact CD2-CD1 3.68Å; H145-Y158 AromaticContact CD2-CE1 3.83Å; H145-E196 IonicContact CD2-OE2 3.34Å; H145-E196 IonicContact CE1-OE1 2.68Å; H145-E196 PolarHBondContact CE1-OE1 2.85Å; H145-E196 IonicContact CE1-OE2 2.74Å; H145-E196 VanDerWaalsContact NE2-CD 3.29Å; H145-E196 IonicContact NE2-OE1 3.26Å; H145-E196 PolarHBondContact NE2-OE1 2.77Å; H145-E196 VanDerWaalsContact NE2-OE1 3.08Å; H145-E196 IonicContact NE2-OE2 2.97Å; H145-E196 PolarHBondContact NE2-OE2 3.09Å
146Q96.9Very high96.7Very high77 Ų7753.1 Ų53.136%0.3627%0.267SS..  trans-76.1131.7171.1-172.9-178.519.700110.4I142 D143 F144 L148 S156I142-Q146 HydrophobicContact CG1-CB 4.3Å; D143-Q146 HydrophobicContact CB-CB 4.18Å; D143-Q146 WeakPolarHBondContact O-CB 3.45Å; D143-Q146 PolarHBondContact O-N 2.87Å; F144-Q146 PolarHBondContact O-N 2.86Å; F144-Q146 VanDerWaalsContact O-N 3.07Å; Q146-L148 HydrophobicContact CG-CD2 4.07Å; Q146-L148 HydrophobicContact CG-CG 4.37Å; Q146-S156 WeakPolarHBondContact O-CA 3.38Å; Q146-S156 WeakPolarHBondContact O-CB 3.39Å
147E97.5Very high96.8Very high112 Ų11252.1 Ų52.152%0.52326%0.262SS..EExtended strand (participates in β ladder)trans-91.8122168.3-175.5178.5104.200109.5K154 F155E147-K154 HydrophobicContact CG-CB 4.4Å; E147-K154 IonicContact OE1-NZ 3.78Å; E147-K154 PolarHBondContact OE1-NZ 2.89Å; E147-F155 WeakPolarHBondContact CA-O 3.31Å
148L97.9Very high96.9Very high33 Ų3346.4 Ų46.417%0.17323%0.23CC..EExtended strand (participates in β ladder)trans-111.1152.9170.1-63.6-175.4000110Y96 I142 Q146 K154 F155Y96-L148 HydrophobicContact CD1-CD1 3.86Å; Y96-L148 HydrophobicContact CE1-CD1 3.43Å; Y96-L148 VanDerWaalsContact CE1-CD1 3.43Å; I142-L148 HydrophobicContact CB-CD1 4.06Å; I142-L148 HydrophobicContact CD1-CB 4.5Å; I142-L148 HydrophobicContact CD1-CD1 3.87Å; I142-L148 HydrophobicContact CD1-CG 3.97Å; I142-L148 HydrophobicContact CG1-CD1 3.88Å; I142-L148 HydrophobicContact CG1-CG 4.23Å; Q146-L148 HydrophobicContact CG-CD2 4.07Å; Q146-L148 HydrophobicContact CG-CG 4.37Å; L148-K154 CarbonylContact O-C 3.51Å; L148-K154 VanDerWaalsContact O-CA 3.31Å; L148-K154 WeakPolarHBondContact O-CA 3.46Å; L148-F155 HydrophobicContact CB-CD1 4.48Å; L148-F155 HydrophobicContact CB-CE1 3.87Å; L148-F155 HydrophobicContact CB-CE2 3.95Å; L148-F155 HydrophobicContact CB-CZ 3.57Å; L148-F155 HydrophobicContact CD1-CE2 4.13Å; L148-F155 HydrophobicContact CD1-CZ 4.05Å; L148-F155 HydrophobicContact CG-CZ 4.41Å; L148-F155 PolarHBondContact N-O 3.11Å; L148-F155 PolarHBondContact O-N 3.24Å
149E97.1Very high97Very high104 Ų10442.8 Ų42.849%0.48621%0.213SC..EExtended strand (participates in β ladder)trans-126124.7174.7-171.6-179.5150.400110.8G152 I153 K154 N493E149-G152 WeakPolarHBondContact OE1-CA 3.49Å; E149-I153 CarbonylContact C-O 3.53Å; E149-I153 VanDerWaalsContact CA-O 3.28Å; E149-I153 WeakPolarHBondContact CA-O 3.44Å; E149-K154 HydrophobicContact CB-CG 4.28Å; E149-K154 HydrophobicContact CG-CG 4.1Å; E149-N493 PolarHBondContact OE1-ND2 3.29Å; E149-N493 VanDerWaalsContact OE1-ND2 3.12Å
150V95.8Very high96.9Very high15 Ų1542.7 Ų42.79%0.09121%0.213CC..EExtended strand (participates in β ladder)trans-125.2119.5174174.70000108.9L68 K94 Y96 G152 I153 F155L68-V150 HydrophobicContact CD1-CB 4.2Å; L68-V150 HydrophobicContact CD1-CG1 4.4Å; L68-V150 HydrophobicContact CD1-CG2 4.13Å; K94-V150 HydrophobicContact CB-CG1 4.32Å; K94-V150 HydrophobicContact CG-CG1 4.26Å; Y96-V150 HydrophobicContact CE2-CG2 3.99Å; V150-G152 PolarHBondContact O-N 3.12Å; V150-I153 PolarHBondContact N-O 3.15Å; V150-I153 VanDerWaalsContact O-CB 3.24Å; V150-I153 WeakPolarHBondContact O-CB 3.48Å; V150-I153 WeakPolarHBondContact O-CG1 3.39Å; V150-I153 PolarHBondContact O-N 3.06Å; V150-F155 HydrophobicContact CB-CE1 4.32Å; V150-F155 HydrophobicContact CG2-CE1 3.91Å; V150-F155 HydrophobicContact CG2-CZ 4.32Å
151N92.5Very high96.7Very high90 Ų9040.3 Ų40.348%0.48120%0.201SC..THydrogen-bonded Turntrans51.332.7178.2-64.1-14.6000114.4K36 D67K36-N151 WeakPolarHBondContact CE-O 3.44Å; K36-N151 PolarHBondContact NZ-O 3.31Å; D67-N151 PolarHBondContact OD1-ND2 3.08Å
152G92.9Very high96.5Very high7 Ų738.1 Ų38.17%0.07219%0.187CC..THydrogen-bonded Turntrans87.43.6-177.600000115.5E149 V150 N493 F494E149-G152 WeakPolarHBondContact OE1-CA 3.49Å; V150-G152 PolarHBondContact O-N 3.12Å; G152-N493 WeakPolarHBondContact CA-ND2 3.38Å; G152-N493 PolarHBondContact N-ND2 3.29Å; G152-F494 WeakPolarHBondContact O-CD2 3.26Å; G152-F494 WeakPolarHBondContact O-CE2 3.44Å
153I97.1Very high96.3Very high0 Ų038.2 Ų38.20%019%0.188CC..EExtended strand (participates in β ladder)trans-96.8113.3175-54.1165.1000107K36 I38 D67 L68 E149 V150 I171 I173K36-I153 HydrophobicContact CB-CD1 3.91Å; K36-I153 HydrophobicContact CB-CG1 4.12Å; K36-I153 HydrophobicContact CD-CD1 4.17Å; K36-I153 HydrophobicContact CD-CG1 4.16Å; K36-I153 HydrophobicContact CG-CD1 4.2Å; K36-I153 HydrophobicContact CG-CG1 4Å; I38-I153 HydrophobicContact CD1-CD1 3.93Å; I38-I153 HydrophobicContact CD1-CG1 4.37Å; I38-I153 HydrophobicContact CD1-CG2 3.46Å; I38-I153 VanDerWaalsContact CD1-CG2 3.46Å; I38-I153 HydrophobicContact CG1-CD1 3.83Å; I38-I153 HydrophobicContact CG1-CG2 4.46Å; D67-I153 HydrophobicContact CB-CD1 3.72Å; L68-I153 HydrophobicContact CB-CD1 4.4Å; L68-I153 HydrophobicContact CD2-CG2 3.96Å; E149-I153 CarbonylContact C-O 3.53Å; E149-I153 VanDerWaalsContact CA-O 3.28Å; E149-I153 WeakPolarHBondContact CA-O 3.44Å; V150-I153 PolarHBondContact N-O 3.15Å; V150-I153 VanDerWaalsContact O-CB 3.24Å; V150-I153 WeakPolarHBondContact O-CB 3.48Å; V150-I153 WeakPolarHBondContact O-CG1 3.39Å; V150-I153 PolarHBondContact O-N 3.06Å; I153-I171 HydrophobicContact CG2-CG2 3.88Å; I153-I173 HydrophobicContact CB-CG1 4.48Å; I153-I173 HydrophobicContact CG1-CD1 4.46Å; I153-I173 HydrophobicContact CG1-CG1 4.28Å; I153-I173 HydrophobicContact CG2-CD1 4.46Å; I153-I173 HydrophobicContact CG2-CG1 4.06Å
154K97.9Very high96.2Very high65 Ų6534 Ų3428%0.28317%0.165SC..EExtended strand (participates in β ladder)trans-88.5141172.4-70.6174.9167-129.50109.4E147 L148 E149 I171 E172E147-K154 HydrophobicContact CG-CB 4.4Å; E147-K154 IonicContact OE1-NZ 3.78Å; E147-K154 PolarHBondContact OE1-NZ 2.89Å; L148-K154 CarbonylContact O-C 3.51Å; L148-K154 VanDerWaalsContact O-CA 3.31Å; L148-K154 WeakPolarHBondContact O-CA 3.46Å; E149-K154 HydrophobicContact CB-CG 4.28Å; E149-K154 HydrophobicContact CG-CG 4.1Å; K154-I171 CarbonylContact O-C 3.53Å; K154-I171 WeakPolarHBondContact O-CA 3.29Å; K154-E172 HydrophobicContact CB-CB 4.13Å; K154-E172 PolarHBondContact N-O 3.06Å; K154-E172 PolarHBondContact O-N 3.27Å
155F98.4Very high96.1Very high2 Ų232.3 Ų32.31%0.00916%0.159CC..EExtended strand (participates in β ladder)trans-151.2148.1174.860.6-80.1000112.1L68 L70 Y96 I142 E147 L148 V150 F169 L170 I171L68-F155 HydrophobicContact CD1-CE1 3.92Å; L68-F155 HydrophobicContact CD1-CZ 4Å; L68-F155 HydrophobicContact CD2-CD1 3.61Å; L68-F155 HydrophobicContact CD2-CE1 3.71Å; L68-F155 HydrophobicContact CD2-CG 4.17Å; L68-F155 HydrophobicContact CD2-CZ 4.32Å; L68-F155 HydrophobicContact CG-CE1 4.49Å; L70-F155 HydrophobicContact CD1-CB 4.33Å; L70-F155 HydrophobicContact CD1-CD2 4.38Å; L70-F155 HydrophobicContact CD1-CG 4.38Å; L70-F155 HydrophobicContact CD2-CD2 3.72Å; L70-F155 HydrophobicContact CD2-CE2 3.72Å; L70-F155 HydrophobicContact CD2-CG 4.32Å; L70-F155 HydrophobicContact CD2-CZ 4.34Å; Y96-F155 HydrophobicContact CD1-CE2 4.36Å; Y96-F155 HydrophobicContact CD1-CZ 4.37Å; Y96-F155 HydrophobicContact CD2-CE2 4.01Å; Y96-F155 AromaticContact CD2-CZ 3.62Å; Y96-F155 HydrophobicContact CD2-CZ 3.62Å; Y96-F155 HydrophobicContact CE1-CZ 4.41Å; Y96-F155 HydrophobicContact CE2-CE2 4.44Å; Y96-F155 AromaticContact CE2-CZ 3.66Å; Y96-F155 HydrophobicContact CE2-CZ 3.66Å; Y96-F155 AromaticContact CG-CE2 3.96Å; Y96-F155 HydrophobicContact CG-CE2 3.96Å; Y96-F155 AromaticContact CG-CZ 3.99Å; Y96-F155 HydrophobicContact CG-CZ 3.99Å; I142-F155 HydrophobicContact CD1-CD2 3.81Å; I142-F155 HydrophobicContact CD1-CE2 3.7Å; E147-F155 WeakPolarHBondContact CA-O 3.31Å; L148-F155 HydrophobicContact CB-CD1 4.48Å; L148-F155 HydrophobicContact CB-CE1 3.87Å; L148-F155 HydrophobicContact CB-CE2 3.95Å; L148-F155 HydrophobicContact CB-CZ 3.57Å; L148-F155 HydrophobicContact CD1-CE2 4.13Å; L148-F155 HydrophobicContact CD1-CZ 4.05Å; L148-F155 HydrophobicContact CG-CZ 4.41Å; L148-F155 PolarHBondContact N-O 3.11Å; L148-F155 PolarHBondContact O-N 3.24Å; V150-F155 HydrophobicContact CB-CE1 4.32Å; V150-F155 HydrophobicContact CG2-CE1 3.91Å; V150-F155 HydrophobicContact CG2-CZ 4.32Å; F155-F169 HydrophobicContact CD2-CD1 4.41Å; F155-L170 CarbonylContact C-O 3.54Å; F155-L170 WeakPolarHBondContact CA-O 3.42Å; F155-I171 HydrophobicContact CB-CG1 4.29Å
156S98.3Very high96.1Very high11 Ų1127.5 Ų27.58%0.07714%0.138CC..EExtended strand (participates in β ladder)trans-137.3152.7174.4580000111.1Q146 Y158 F169 L170Q146-S156 WeakPolarHBondContact O-CA 3.38Å; Q146-S156 WeakPolarHBondContact O-CB 3.39Å; S156-Y158 WeakPolarHBondContact OG-CE2 2.81Å; S156-F169 WeakPolarHBondContact O-CA 3.36Å; S156-L170 PolarHBondContact N-O 3.31Å; S156-L170 PolarHBondContact O-N 3.22Å
157A98.2Very high96.2Very high0 Ų023.8 Ų23.80%012%0.12CC..EExtended strand (participates in β ladder)trans-105.6130.5179.200000110.9I142 F144 H145 A167 M168 F169I142-A157 HydrophobicContact CG2-CB 4.4Å; F144-A157 WeakPolarHBondContact CA-O 3.37Å; F144-A157 HydrophobicContact CD1-CB 4.26Å; H145-A157 PolarHBondContact N-O 2.99Å; A157-A167 HydrophobicContact CB-CB 3.94Å; A157-M168 WeakPolarHBondContact CA-O 3.12Å; A157-F169 HydrophobicContact CB-CD1 4.29Å; A157-F169 HydrophobicContact CB-CE1 3.98Å
158Y97.8Very high96.2Very high22 Ų2218.5 Ų18.59%0.08610%0.095CC..EExtended strand (participates in β ladder)trans-113152.5172-68.2-88.7000110H145 S156 A160 A167 M168 L170 E196 P198H145-Y158 AromaticContact CD2-CD1 3.68Å; H145-Y158 AromaticContact CD2-CE1 3.83Å; S156-Y158 WeakPolarHBondContact OG-CE2 2.81Å; Y158-A160 PolarHBondContact O-N 2.88Å; Y158-A167 CarbonylContact O-C 3.52Å; Y158-A167 VanDerWaalsContact O-CA 3.24Å; Y158-A167 WeakPolarHBondContact O-CA 3.33Å; Y158-M168 PolarHBondContact N-O 2.83Å; Y158-M168 PolarHBondContact O-N 2.84Å; Y158-L170 HydrophobicContact CD2-CB 4.22Å; Y158-L170 HydrophobicContact CE2-CB 3.79Å; Y158-L170 HydrophobicContact CE2-CD2 4.01Å; Y158-E196 HydrophobicContact CD1-CB 4.49Å; Y158-E196 WeakPolarHBondContact CD1-OE2 3.36Å; Y158-P198 HydrophobicContact CD1-CB 4.46Å; Y158-P198 HydrophobicContact CD1-CG 4.31Å; Y158-P198 HydrophobicContact CD2-CB 4.18Å; Y158-P198 HydrophobicContact CD2-CG 3.79Å; Y158-P198 HydrophobicContact CE1-CB 4.21Å; Y158-P198 HydrophobicContact CE2-CB 3.9Å; Y158-P198 HydrophobicContact CE2-CG 4.04Å; Y158-P198 HydrophobicContact CG-CB 4.45Å; Y158-P198 HydrophobicContact CG-CG 3.94Å
159H96.5Very high96.3Very high24 Ų2416.9 Ų16.911%0.1119%0.087CC..EExtended strand (participates in β ladder)trans-62.9130.4178.8-71.9-76000110.7F144 M168 M193 A195 E196F144-H159 AromaticContact CD1-CE1 3.86Å; F144-H159 AromaticContact CD1-CG 3.91Å; F144-H159 AromaticContact CD1-ND1 3.74Å; F144-H159 AromaticContact CD2-CE1 3.26Å; F144-H159 WeakPolarHBondContact CD2-CE1 3.12Å; F144-H159 AromaticContact CD2-ND1 3.83Å; F144-H159 AromaticContact CD2-NE2 3.77Å; F144-H159 HydrophobicContact CE1-CB 4.43Å; F144-H159 AromaticContact CE1-CE1 3.96Å; F144-H159 AromaticContact CE1-CG 3.94Å; F144-H159 AromaticContact CE1-ND1 3.52Å; F144-H159 AromaticContact CE2-CE1 3.38Å; F144-H159 WeakPolarHBondContact CE2-CE1 3.49Å; F144-H159 AromaticContact CE2-ND1 3.61Å; F144-H159 AromaticContact CG-CE1 3.5Å; F144-H159 AromaticContact CG-ND1 3.88Å; F144-H159 AromaticContact CG-NE2 3.63Å; F144-H159 AromaticContact CZ-CE1 3.73Å; F144-H159 AromaticContact CZ-ND1 3.44Å; F144-H159 WeakPolarHBondContact CZ-ND1 3.5Å; H159-M168 WeakPolarHBondContact O-CE 3.47Å; H159-M193 HydrophobicContact CB-CE 4.5Å; H159-M193 HydrophobicContact CB-CG 4.11Å; H159-M193 HydrophobicContact CB-SD 3.97Å; H159-M193 VanDerWaalsContact CE1-SD 3.53Å; H159-M193 PolarHBondContact ND1-SD 3.46Å; H159-A195 CarbonylContact O-C 3.57Å; H159-A195 WeakPolarHBondContact O-CA 3.45Å; H159-E196 HydrophobicContact CB-CG 4.04Å; H159-E196 IonicContact CD2-OE1 3.59Å; H159-E196 PolarHBondContact CD2-OE1 2.99Å; H159-E196 IonicContact CD2-OE2 3.71Å; H159-E196 PolarHBondContact N-OE2 3.26Å; H159-E196 PolarHBondContact O-N 3.13Å
160A97.2Very high96.3Very high0 Ų012.5 Ų12.50%07%0.067CC..  trans-96.7-5.9175.900000113.1Y158 H162 A166 M168 F184 S185 A195Y158-A160 PolarHBondContact O-N 2.88Å; A160-H162 PolarHBondContact O-N 3.2Å; A160-A166 HydrophobicContact CB-CB 3.86Å; A160-A166 PolarHBondContact N-O 3.47Å; A160-M168 HydrophobicContact CB-CG 3.72Å; A160-F184 HydrophobicContact CB-CB 3.97Å; A160-F184 CarbonylContact O-C 3.59Å; A160-F184 WeakPolarHBondContact O-CA 3.3Å; A160-F184 VanDerWaalsContact O-CB 3.3Å; A160-F184 WeakPolarHBondContact O-CB 3.24Å; A160-S185 PolarHBondContact O-N 2.77Å; A160-A195 WeakPolarHBondContact O-CB 3.37Å
161G93.2Very high96.5Very high4 Ų411.8 Ų11.84%0.0416%0.063CC..  trans62-129.6-164.500000109.6V163 A166 M193G161-V163 VanDerWaalsContact C-N 3.26Å; G161-V163 PolarHBondContact O-N 3.07Å; G161-A166 WeakPolarHBondContact O-CB 3.39Å; G161-M193 WeakPolarHBondContact CA-O 3.45Å
162H94.6Very high96.7Very high1 Ų110 Ų101%0.0055%0.052CC..SBendtrans57.7-62.1172.2-177.868.5000117.2H73 H75 A160 D183 R249 S398 A399 H400H73-H162 AromaticContact CD2-CD2 3.84Å; H73-H162 AromaticContact CD2-NE2 3.98Å; H73-H162 AromaticContact NE2-CD2 3.76Å; H73-H162 AromaticContact NE2-NE2 3.57Å; H75-H162 AromaticContact CE1-CD2 3.97Å; H75-H162 AromaticContact CE1-CE1 3.71Å; H75-H162 AromaticContact CE1-NE2 3.02Å; H75-H162 PolarHBondContact CE1-NE2 3.48Å; H75-H162 AromaticContact ND1-CD2 3.98Å; H75-H162 AromaticContact ND1-CE1 3.98Å; H75-H162 AromaticContact ND1-NE2 3.03Å; H75-H162 PolarHBondContact ND1-NE2 2.91Å; A160-H162 PolarHBondContact O-N 3.2Å; H162-D183 WeakPolarHBondContact CB-O 3.36Å; H162-D183 VanDerWaalsContact CD2-CB 3.5Å; H162-D183 WeakPolarHBondContact CD2-CB 3.4Å; H162-D183 IonicContact NE2-OD2 3.59Å; H162-R249 PolarHBondContact O-NE 3.17Å; H162-R249 PolarHBondContact O-NH2 2.75Å; H162-S398 PolarHBondContact CE1-O 3.02Å; H162-S398 PolarHBondContact ND1-O 2.8Å; H162-A399 PolarHBondContact ND1-O 2.97Å; H162-H400 AromaticContact CE1-CE1 3.58Å; H162-H400 AromaticContact CE1-NE2 3.61Å
163V93.9Very high96.8Very high2 Ų29.8 Ų9.81%0.0125%0.048CC..SBendtrans-143.1162.7169.1-66.40000111.8H73 F74 H75 G161 G165 A166 L192H73-V163 HydrophobicContact CB-CG2 3.81Å; F74-V163 HydrophobicContact CD1-CG2 3.96Å; F74-V163 HydrophobicContact CE1-CB 3.64Å; F74-V163 HydrophobicContact CE1-CG2 3.55Å; F74-V163 HydrophobicContact CE2-CB 4.33Å; F74-V163 HydrophobicContact CE2-CG1 4.39Å; F74-V163 HydrophobicContact CE2-CG2 4.33Å; F74-V163 HydrophobicContact CZ-CB 3.54Å; F74-V163 HydrophobicContact CZ-CG1 3.95Å; F74-V163 HydrophobicContact CZ-CG2 3.77Å; H75-V163 WeakPolarHBondContact CE1-CG1 3.21Å; H75-V163 WeakPolarHBondContact NE2-CG1 3.4Å; G161-V163 VanDerWaalsContact C-N 3.26Å; G161-V163 PolarHBondContact O-N 3.07Å; V163-G165 PolarHBondContact O-N 2.62Å; V163-G165 VanDerWaalsContact O-N 3.09Å; V163-A166 HydrophobicContact CG2-CB 3.87Å; V163-A166 WeakPolarHBondContact O-CB 3.47Å; V163-A166 PolarHBondContact O-N 3.35Å; V163-L192 VanDerWaalsContact CA-CD1 3.45Å
164L93Very high96.5Very high0 Ų011.3 Ų11.30%06%0.061CC..THydrogen-bonded Turntrans-57117179.3-17763.9000111.6F74 A100 I104 L192 Y286 A292 M293F74-L164 WeakPolarHBondContact CD1-O 3.34Å; F74-L164 HydrophobicContact CE1-CB 4.45Å; F74-L164 VanDerWaalsContact CE1-O 3.22Å; F74-L164 WeakPolarHBondContact CE1-O 2.95Å; A100-L164 HydrophobicContact CB-CG 4.19Å; I104-L164 HydrophobicContact CD1-CB 4.34Å; I104-L164 HydrophobicContact CD1-CD2 4.25Å; L164-L192 HydrophobicContact CB-CD2 4.31Å; L164-L192 HydrophobicContact CD1-CD2 4.38Å; L164-Y286 HydrophobicContact CB-CE1 4.13Å; L164-Y286 HydrophobicContact CD2-CD1 3.82Å; L164-Y286 HydrophobicContact CD2-CD2 4.01Å; L164-Y286 HydrophobicContact CD2-CE1 3.99Å; L164-Y286 HydrophobicContact CD2-CE2 4.16Å; L164-Y286 HydrophobicContact CD2-CG 3.84Å; L164-A292 HydrophobicContact CD1-CB 4.12Å; L164-M293 HydrophobicContact CD1-CE 4.08Å; L164-M293 HydrophobicContact CD1-CG 4.03Å; L164-M293 HydrophobicContact CD2-CE 3.96Å
165G94.2Very high96.2Very high6 Ų610.1 Ų10.16%0.0627%0.067CC..THydrogen-bonded Turntrans86.83.1-179.600000115.5T98 T101 V163 A167T98-G165 WeakPolarHBondContact CB-O 3.21Å; T98-G165 VanDerWaalsContact CG2-O 3.28Å; T98-G165 WeakPolarHBondContact CG2-O 2.91Å; T98-G165 PolarHBondContact OG1-O 2.94Å; T101-G165 PolarHBondContact OG1-O 3.19Å; V163-G165 PolarHBondContact O-N 2.62Å; V163-G165 VanDerWaalsContact O-N 3.09Å; G165-A167 PolarHBondContact O-N 2.98Å
166A97.1Very high96Very high2 Ų210.5 Ų10.52%0.0177%0.07CC..  trans-63.7136.1175.500000111.5S72 H73 A160 G161 V163S72-A166 WeakPolarHBondContact O-CA 3.45Å; H73-A166 HydrophobicContact CB-CB 3.59Å; A160-A166 HydrophobicContact CB-CB 3.86Å; A160-A166 PolarHBondContact N-O 3.47Å; G161-A166 WeakPolarHBondContact O-CB 3.39Å; V163-A166 HydrophobicContact CG2-CB 3.87Å; V163-A166 WeakPolarHBondContact O-CB 3.47Å; V163-A166 PolarHBondContact O-N 3.35Å
167A98.3Very high96Very high0 Ų011.9 Ų11.90%07%0.074CC..EExtended strand (participates in β ladder)trans-128.2137.6-174.900000112.7S72 T98 F144 A157 Y158 G165 F169S72-A167 WeakPolarHBondContact CB-O 3.39Å; S72-A167 PolarHBondContact O-N 2.9Å; T98-A167 HydrophobicContact CG2-CB 3.65Å; F144-A167 HydrophobicContact CE1-CB 3.93Å; A157-A167 HydrophobicContact CB-CB 3.94Å; Y158-A167 CarbonylContact O-C 3.52Å; Y158-A167 VanDerWaalsContact O-CA 3.24Å; Y158-A167 WeakPolarHBondContact O-CA 3.33Å; G165-A167 PolarHBondContact O-N 2.98Å; A167-F169 HydrophobicContact CB-CE2 4.18Å; A167-F169 HydrophobicContact CB-CZ 4.28Å
168M98.7Very high96Very high0 Ų011.9 Ų11.90%07%0.074CC..EExtended strand (participates in β ladder)trans-90.6128.6160.6-51.4-177.6-72.400108.3A157 Y158 H159 A160 L179 Y180 T181 F184 A195 E196 F409A157-M168 WeakPolarHBondContact CA-O 3.12Å; Y158-M168 PolarHBondContact N-O 2.83Å; Y158-M168 PolarHBondContact O-N 2.84Å; H159-M168 WeakPolarHBondContact O-CE 3.47Å; A160-M168 HydrophobicContact CB-CG 3.72Å; M168-L179 HydrophobicContact CB-CD1 4.06Å; M168-Y180 CarbonylContact C-O 3.51Å; M168-Y180 WeakPolarHBondContact CA-O 3.41Å; M168-T181 WeakPolarHBondContact CG-O 3.48Å; M168-T181 HydrophobicContact SD-CG2 4.23Å; M168-F184 HydrophobicContact SD-CB 4.44Å; M168-F184 HydrophobicContact SD-CD2 4.39Å; M168-A195 HydrophobicContact CE-CB 4.15Å; M168-A195 HydrophobicContact SD-CB 4.33Å; M168-E196 HydrophobicContact CE-CB 4.47Å; M168-E196 WeakPolarHBondContact CE-O 3.24Å; M168-F409 HydrophobicContact CE-CZ 4.38Å; M168-F409 HydrophobicContact SD-CE2 4.37Å; M168-F409 HydrophobicContact SD-CZ 3.75Å
169F98.7Very high96Very high0 Ų010.8 Ų10.80%07%0.07CC..EExtended strand (participates in β ladder)trans-98.4118-179.8-74.8-77.6000111L70 I71 I142 F155 S156 A157 A167 I171 L179 Y180L70-F169 HydrophobicContact CB-CD1 4.43Å; L70-F169 HydrophobicContact CB-CD2 3.96Å; L70-F169 HydrophobicContact CB-CE1 4.47Å; L70-F169 HydrophobicContact CB-CE2 4Å; L70-F169 HydrophobicContact CB-CG 4.16Å; L70-F169 HydrophobicContact CB-CZ 4.26Å; L70-F169 HydrophobicContact CD1-CB 4.04Å; L70-F169 HydrophobicContact CD1-CD1 3.96Å; L70-F169 HydrophobicContact CD1-CG 3.93Å; L70-F169 HydrophobicContact CD2-CD1 4.23Å; L70-F169 HydrophobicContact CD2-CE1 4.05Å; L70-F169 HydrophobicContact CD2-CZ 4.43Å; L70-F169 HydrophobicContact CG-CD1 4.44Å; I71-F169 WeakPolarHBondContact O-CE2 3.48Å; I142-F169 HydrophobicContact CG2-CE1 4.17Å; F155-F169 HydrophobicContact CD2-CD1 4.41Å; S156-F169 WeakPolarHBondContact O-CA 3.36Å; A157-F169 HydrophobicContact CB-CD1 4.29Å; A157-F169 HydrophobicContact CB-CE1 3.98Å; A167-F169 HydrophobicContact CB-CE2 4.18Å; A167-F169 HydrophobicContact CB-CZ 4.28Å; F169-I171 HydrophobicContact CB-CG1 4.37Å; F169-L179 WeakPolarHBondContact O-CA 3.48Å; F169-Y180 PolarHBondContact N-O 2.77Å; F169-Y180 PolarHBondContact O-N 3.07Å
170L98.6Very high96.2Very high11 Ų119.8 Ų9.86%0.0587%0.066CC..EExtended strand (participates in β ladder)trans-89.8116.8166.9-178.565.4000108.3F155 S156 Y158 K177 L179 I200 P202F155-L170 CarbonylContact C-O 3.54Å; F155-L170 WeakPolarHBondContact CA-O 3.42Å; S156-L170 PolarHBondContact N-O 3.31Å; S156-L170 PolarHBondContact O-N 3.22Å; Y158-L170 HydrophobicContact CD2-CB 4.22Å; Y158-L170 HydrophobicContact CE2-CB 3.79Å; Y158-L170 HydrophobicContact CE2-CD2 4.01Å; L170-K177 HydrophobicContact CD1-CB 4.33Å; L170-L179 HydrophobicContact CB-CD1 4.15Å; L170-L179 HydrophobicContact CD1-CB 4.29Å; L170-L179 HydrophobicContact CD1-CD1 4.45Å; L170-I200 HydrophobicContact CD2-CB 4.27Å; L170-I200 HydrophobicContact CD2-CD1 4.42Å; L170-P202 HydrophobicContact CD1-CB 4.42Å
171I98.6Very high96.2Very high0 Ų09.8 Ų9.80%07%0.066CC..EExtended strand (participates in β ladder)trans-113.1131.8-175.5-59.5160.2000108.5L31 I38 L40 L70 I153 K154 F155 F169 I173 K177 I178L31-I171 HydrophobicContact CD2-CD1 4.43Å; I38-I171 HydrophobicContact CD1-CG2 3.68Å; L40-I171 HydrophobicContact CD1-CD1 4.44Å; L40-I171 HydrophobicContact CD2-CD1 3.49Å; L40-I171 VanDerWaalsContact CD2-CD1 3.49Å; L70-I171 HydrophobicContact CD1-CD1 3.81Å; L70-I171 HydrophobicContact CD1-CG1 3.86Å; I153-I171 HydrophobicContact CG2-CG2 3.88Å; K154-I171 CarbonylContact O-C 3.53Å; K154-I171 WeakPolarHBondContact O-CA 3.29Å; F155-I171 HydrophobicContact CB-CG1 4.29Å; F169-I171 HydrophobicContact CB-CG1 4.37Å; I171-I173 HydrophobicContact CG2-CD1 4.3Å; I171-I173 HydrophobicContact CG2-CG1 4.11Å; I171-K177 CarbonylContact O-C 3.3Å; I171-K177 WeakPolarHBondContact O-CA 3.45Å; I171-I178 HydrophobicContact CB-CB 4.46Å; I171-I178 PolarHBondContact N-O 3.39Å; I171-I178 PolarHBondContact O-N 3.07Å
172E97.4Very high96.5Very high54 Ų549.7 Ų9.725%0.2527%0.065SC..EExtended strand (participates in β ladder)trans-123.1123.6176.1173.3172.3176.300111.2K154 V176 K177K154-E172 HydrophobicContact CB-CB 4.13Å; K154-E172 PolarHBondContact N-O 3.06Å; K154-E172 PolarHBondContact O-N 3.27Å; E172-V176 WeakPolarHBondContact CA-O 3.47Å; E172-K177 HydrophobicContact CB-CG 4.49Å; E172-K177 HydrophobicContact CG-CG 4.49Å; E172-K177 IonicContact OE1-NZ 3.92Å; E172-K177 PolarHBondContact OE1-NZ 2.73Å; E172-K177 VanDerWaalsContact OE1-NZ 3.11Å; E172-K177 IonicContact OE2-NZ 2.98Å; E172-K177 PolarHBondContact OE2-NZ 2.97Å
173I95.2Very high96.6Very high1 Ų19.8 Ų9.81%0.0057%0.065CC..EExtended strand (participates in β ladder)trans-131.5116.5176.6-54.7173.2000107.7F33 K34 K36 I38 I153 I171 G175 V176 F494F33-I173 HydrophobicContact CB-CD1 4.38Å; F33-I173 HydrophobicContact CD1-CB 3.88Å; F33-I173 HydrophobicContact CD1-CG2 3.69Å; F33-I173 HydrophobicContact CE1-CG2 4.39Å; F33-I173 WeakPolarHBondContact CE1-O 3.5Å; K34-I173 HydrophobicContact CB-CG2 4.47Å; K36-I173 HydrophobicContact CB-CD1 4.5Å; K36-I173 HydrophobicContact CG-CG2 4.44Å; I38-I173 HydrophobicContact CD1-CD1 3.76Å; I153-I173 HydrophobicContact CB-CG1 4.48Å; I153-I173 HydrophobicContact CG1-CD1 4.46Å; I153-I173 HydrophobicContact CG1-CG1 4.28Å; I153-I173 HydrophobicContact CG2-CD1 4.46Å; I153-I173 HydrophobicContact CG2-CG1 4.06Å; I171-I173 HydrophobicContact CG2-CD1 4.3Å; I171-I173 HydrophobicContact CG2-CG1 4.11Å; I173-G175 PolarHBondContact O-N 3.04Å; I173-V176 PolarHBondContact N-O 3.25Å; I173-V176 PolarHBondContact O-N 3.42Å; I173-V176 VanDerWaalsContact O-N 3.09Å; I173-F494 HydrophobicContact CG2-CD2 4.45Å; I173-F494 HydrophobicContact CG2-CE2 3.62Å; I173-F494 HydrophobicContact CG2-CZ 3.78Å
174A90.9Very high96.8Very high32 Ų329.7 Ų9.726%0.2646%0.064SC..THydrogen-bonded Turntrans50.939.7178.900000114.1F33 K34 V176 F494F33-A174 HydrophobicContact CE1-CB 4.42Å; K34-A174 HydrophobicContact CD-CB 3.56Å; K34-A174 HydrophobicContact CG-CB 4.19Å; A174-V176 VanDerWaalsContact C-N 3.32Å; A174-V176 PolarHBondContact O-N 3.13Å; A174-F494 HydrophobicContact CB-CB 3.99Å; A174-F494 HydrophobicContact CB-CD1 3.7Å; A174-F494 HydrophobicContact CB-CD2 4.07Å; A174-F494 HydrophobicContact CB-CE1 4.19Å; A174-F494 HydrophobicContact CB-CG 3.63Å
175G91.2Very high96.9Very high40 Ų409.8 Ų9.841%0.4127%0.065SC..THydrogen-bonded Turntrans90.2-25179.300000114.9I173 K177I173-G175 PolarHBondContact O-N 3.04Å; G175-K177 PolarHBondContact O-NZ 2.93Å
176V95.2Very high96.9Very high11 Ų1112.6 Ų12.67%0.0677%0.074CC..EExtended strand (participates in β ladder)trans-74.1127.5178.6-178.60000109.9L13 F33 E172 I173 A174 I178 D203 F462L13-V176 HydrophobicContact CD1-CG1 4.07Å; F33-V176 HydrophobicContact CE1-CB 3.85Å; F33-V176 HydrophobicContact CE1-CG2 3.53Å; F33-V176 HydrophobicContact CZ-CB 4.46Å; F33-V176 HydrophobicContact CZ-CG2 3.72Å; E172-V176 WeakPolarHBondContact CA-O 3.47Å; I173-V176 PolarHBondContact N-O 3.25Å; I173-V176 PolarHBondContact O-N 3.42Å; I173-V176 VanDerWaalsContact O-N 3.09Å; A174-V176 VanDerWaalsContact C-N 3.32Å; A174-V176 PolarHBondContact O-N 3.13Å; V176-I178 HydrophobicContact CG1-CG1 4.42Å; V176-D203 WeakPolarHBondContact CA-OD2 3.35Å; V176-D203 HydrophobicContact CG1-CB 4.36Å; V176-F462 HydrophobicContact CB-CG 4.49Å; V176-F462 HydrophobicContact CG1-CD1 4.02Å; V176-F462 HydrophobicContact CG1-CD2 3.95Å; V176-F462 HydrophobicContact CG1-CE1 4.09Å; V176-F462 HydrophobicContact CG1-CE2 4.01Å; V176-F462 HydrophobicContact CG1-CG 3.95Å; V176-F462 HydrophobicContact CG1-CZ 4.08Å; V176-F462 HydrophobicContact CG2-CB 3.52Å; V176-F462 HydrophobicContact CG2-CD1 3.9Å; V176-F462 HydrophobicContact CG2-CD2 4.31Å; V176-F462 HydrophobicContact CG2-CG 3.65Å
177K97.2Very high96.5Very high39 Ų3914.9 Ų14.917%0.178%0.084CC..EExtended strand (participates in β ladder)trans-110.1127.8-175-53.5-169.5-162.9-43.80111.2L170 I171 E172 G175 I200 D203 V204L170-K177 HydrophobicContact CD1-CB 4.33Å; I171-K177 CarbonylContact O-C 3.3Å; I171-K177 WeakPolarHBondContact O-CA 3.45Å; E172-K177 HydrophobicContact CB-CG 4.49Å; E172-K177 HydrophobicContact CG-CG 4.49Å; E172-K177 IonicContact OE1-NZ 3.92Å; E172-K177 PolarHBondContact OE1-NZ 2.73Å; E172-K177 VanDerWaalsContact OE1-NZ 3.11Å; E172-K177 IonicContact OE2-NZ 2.98Å; E172-K177 PolarHBondContact OE2-NZ 2.97Å; G175-K177 PolarHBondContact O-NZ 2.93Å; K177-I200 HydrophobicContact CD-CG2 3.35Å; K177-D203 PolarHBondContact N-OD2 3.37Å; K177-D203 WeakPolarHBondContact O-CB 3.27Å; K177-D203 PolarHBondContact O-N 3.41Å; K177-V204 PolarHBondContact O-N 3.06Å; K177-V204 VanDerWaalsContact O-N 3.11Å
178I98.5Very high96.1Very high0 Ų019.5 Ų19.50%011%0.106CC..EExtended strand (participates in β ladder)trans-126.3120.2-175.7-54.2149.9000107L13 L31 I171 V176 V204 I206L13-I178 HydrophobicContact CD1-CD1 3.55Å; L13-I178 HydrophobicContact CD1-CG1 4.14Å; L31-I178 HydrophobicContact CD1-CD1 3.85Å; L31-I178 HydrophobicContact CD2-CD1 3.46Å; L31-I178 VanDerWaalsContact CD2-CD1 3.46Å; L31-I178 HydrophobicContact CG-CD1 4.24Å; I171-I178 HydrophobicContact CB-CB 4.46Å; I171-I178 PolarHBondContact N-O 3.39Å; I171-I178 PolarHBondContact O-N 3.07Å; V176-I178 HydrophobicContact CG1-CG1 4.42Å; I178-V204 CarbonylContact C-O 3.48Å; I178-V204 VanDerWaalsContact CA-O 3.3Å; I178-V204 WeakPolarHBondContact CA-O 3.4Å; I178-V204 HydrophobicContact CG1-CB 4.25Å; I178-V204 HydrophobicContact CG1-CG2 4.5Å; I178-V204 HydrophobicContact CG2-CB 4.28Å; I178-I206 HydrophobicContact CG2-CD1 3.88Å; I178-I206 HydrophobicContact CG2-CG1 4.2Å
179L98.7Very high95.6Very high0 Ų020.3 Ų20.30%011%0.11CC..EExtended strand (participates in β ladder)trans-99.5122.8173.2-177.563000108.9M168 F169 L170 P198 P202 V204 L205 I206 F409 L413M168-L179 HydrophobicContact CB-CD1 4.06Å; F169-L179 WeakPolarHBondContact O-CA 3.48Å; L170-L179 HydrophobicContact CB-CD1 4.15Å; L170-L179 HydrophobicContact CD1-CB 4.29Å; L170-L179 HydrophobicContact CD1-CD1 4.45Å; L179-P198 HydrophobicContact CD1-CG 3.94Å; L179-P198 HydrophobicContact CD2-CG 3.86Å; L179-P202 HydrophobicContact CB-CB 3.85Å; L179-P202 HydrophobicContact CB-CG 4.02Å; L179-P202 HydrophobicContact CD2-CG 4.43Å; L179-V204 PolarHBondContact N-O 2.9Å; L179-L205 HydrophobicContact CB-CD1 4.09Å; L179-L205 HydrophobicContact CD2-CD1 3.96Å; L179-L205 HydrophobicContact CG-CD1 4.09Å; L179-I206 PolarHBondContact O-N 2.81Å; L179-F409 HydrophobicContact CD2-CE1 4.35Å; L179-F409 HydrophobicContact CD2-CZ 4.12Å; L179-L413 HydrophobicContact CD2-CD1 3.65Å; L179-L413 HydrophobicContact CD2-CD2 4.42Å
180Y98.8Very high95.2Very high3 Ų321.3 Ų21.31%0.01211%0.114CC..EExtended strand (participates in β ladder)trans-107.3120.3169.5173.3-124.3000109.7I29 L40 D41 M168 F169 I206I29-Y180 HydrophobicContact CD1-CD2 4.29Å; I29-Y180 HydrophobicContact CD1-CE2 3.64Å; L40-Y180 HydrophobicContact CB-CD1 3.86Å; L40-Y180 HydrophobicContact CB-CE1 3.87Å; L40-Y180 HydrophobicContact CB-CG 4.31Å; L40-Y180 HydrophobicContact CD1-CD1 4.19Å; L40-Y180 HydrophobicContact CD1-CD2 4.31Å; L40-Y180 HydrophobicContact CD1-CG 3.87Å; L40-Y180 HydrophobicContact CD2-CD1 4.4Å; L40-Y180 HydrophobicContact CG-CD1 4.38Å; D41-Y180 WeakPolarHBondContact OD2-CE1 3.33Å; D41-Y180 VanDerWaalsContact OD2-CZ 3.26Å; D41-Y180 PolarHBondContact OD2-OH 3.19Å; M168-Y180 CarbonylContact C-O 3.51Å; M168-Y180 WeakPolarHBondContact CA-O 3.41Å; F169-Y180 PolarHBondContact N-O 2.77Å; F169-Y180 PolarHBondContact O-N 3.07Å; Y180-I206 WeakPolarHBondContact CA-O 3.25Å; Y180-I206 HydrophobicContact CD2-CB 3.98Å; Y180-I206 HydrophobicContact CD2-CG2 3.79Å; Y180-I206 HydrophobicContact CE2-CG2 4.24Å
181T98.5Very high94.8Very high0 Ų020.8 Ų20.80%011%0.111CC..  trans-78.7-26-174.661.90000113.4M168 F184 L205 I206 T207 E208 F409M168-T181 WeakPolarHBondContact CG-O 3.48Å; M168-T181 HydrophobicContact SD-CG2 4.23Å; T181-F184 HydrophobicContact CG2-CD1 4.31Å; T181-F184 HydrophobicContact CG2-CE1 4.33Å; T181-L205 HydrophobicContact CG2-CD1 3.85Å; T181-I206 PolarHBondContact N-O 2.91Å; T181-T207 WeakPolarHBondContact OG1-CA 3.07Å; T181-E208 PolarHBondContact OG1-N 2.71Å; T181-F409 HydrophobicContact CG2-CE1 3.9Å; T181-F409 HydrophobicContact CG2-CZ 4.46Å
182G98.3Very high94.5Very high2 Ų221 Ų212%0.02111%0.113CC..  trans54.6-139.7-154.500000109.6
183D97.7Very high94.2Very high2 Ų220.6 Ų20.61%0.01111%0.111CC..SBendtrans-93.9136.1167.5-65.9-11.8000110.1H73 H78 H162 E208 H400 H422H73-D183 IonicContact CE1-OD2 2.67Å; H73-D183 PolarHBondContact CE1-OD2 3.42Å; H73-D183 IonicContact NE2-OD2 3.74Å; H78-D183 IonicContact CD2-OD2 3.55Å; H78-D183 IonicContact CE1-OD1 3.34Å; H78-D183 IonicContact NE2-OD1 3.61Å; H78-D183 PolarHBondContact NE2-OD1 3.41Å; H78-D183 IonicContact NE2-OD2 3.78Å; H78-D183 PolarHBondContact NE2-OD2 3.01Å; H162-D183 WeakPolarHBondContact CB-O 3.36Å; H162-D183 VanDerWaalsContact CD2-CB 3.5Å; H162-D183 WeakPolarHBondContact CD2-CB 3.4Å; H162-D183 IonicContact NE2-OD2 3.59Å; D183-E208 WeakPolarHBondContact CA-OE1 3.46Å; D183-H400 VanDerWaalsContact CG-CE1 3.47Å; D183-H400 IonicContact OD1-CE1 2.71Å; D183-H400 IonicContact OD2-CE1 3.74Å; D183-H400 PolarHBondContact OD2-CE1 3.13Å; D183-H400 VanDerWaalsContact OD2-CE1 3.25Å; D183-H422 IonicContact OD1-CE1 3.23Å; D183-H422 PolarHBondContact OD1-CE1 3.31Å; D183-H422 IonicContact OD1-CG 2.78Å; D183-H422 IonicContact OD1-ND1 3.58Å; D183-H422 PolarHBondContact OD1-ND1 3.31Å; D183-H422 VanDerWaalsContact OD1-ND1 3.16Å; D183-H422 IonicContact OD2-CE1 3.38Å; D183-H422 PolarHBondContact OD2-CE1 2.85Å
184F97.3Very high94.2Very high0 Ų022.7 Ų22.70%013%0.125CC..  trans-143.1152.7-174.279.9-62.8000112.7A160 M168 T181 R186 A195 E208 H400 T401 F409A160-F184 HydrophobicContact CB-CB 3.97Å; A160-F184 CarbonylContact O-C 3.59Å; A160-F184 WeakPolarHBondContact O-CA 3.3Å; A160-F184 VanDerWaalsContact O-CB 3.3Å; A160-F184 WeakPolarHBondContact O-CB 3.24Å; M168-F184 HydrophobicContact SD-CB 4.44Å; M168-F184 HydrophobicContact SD-CD2 4.39Å; T181-F184 HydrophobicContact CG2-CD1 4.31Å; T181-F184 HydrophobicContact CG2-CE1 4.33Å; F184-R186 HydrophobicContact CD2-CG 4.08Å; F184-R186 HydrophobicContact CE2-CG 3.81Å; F184-A195 HydrophobicContact CB-CB 4.07Å; F184-A195 HydrophobicContact CD2-CB 3.7Å; F184-A195 HydrophobicContact CG-CB 4.39Å; F184-E208 HydrophobicContact CD1-CG 3.75Å; F184-E208 WeakPolarHBondContact CD1-OE1 3.39Å; F184-E208 HydrophobicContact CE1-CG 3.78Å; F184-E208 PolarHBondContact N-OE1 3.43Å; F184-E208 VanDerWaalsContact O-OE1 3.13Å; F184-H400 CarbonylContact O-C 3.59Å; F184-H400 WeakPolarHBondContact O-CA 3.43Å; F184-T401 HydrophobicContact CD1-CG2 4.2Å; F184-T401 HydrophobicContact CD2-CG2 3.78Å; F184-T401 HydrophobicContact CE1-CG2 3.87Å; F184-T401 VanDerWaalsContact CE1-OG1 3.28Å; F184-T401 WeakPolarHBondContact CE1-OG1 3.12Å; F184-T401 HydrophobicContact CE2-CG2 3.43Å; F184-T401 VanDerWaalsContact CE2-CG2 3.43Å; F184-T401 HydrophobicContact CG-CG2 4.15Å; F184-T401 HydrophobicContact CZ-CG2 3.47Å; F184-T401 VanDerWaalsContact CZ-CG2 3.47Å; F184-T401 WeakPolarHBondContact CZ-OG1 3.49Å; F184-T401 PolarHBondContact O-N 3.38Å; F184-T401 VanDerWaalsContact O-N 3.08Å; F184-F409 HydrophobicContact CE2-CB 4.23Å; F184-F409 AromaticContact CE2-CD1 3.75Å; F184-F409 HydrophobicContact CE2-CD1 3.75Å; F184-F409 AromaticContact CE2-CD2 3.99Å; F184-F409 HydrophobicContact CE2-CD2 3.99Å; F184-F409 AromaticContact CE2-CE1 3.99Å; F184-F409 HydrophobicContact CE2-CE1 3.99Å; F184-F409 HydrophobicContact CE2-CE2 4.22Å; F184-F409 AromaticContact CE2-CG 3.74Å; F184-F409 HydrophobicContact CE2-CG 3.74Å; F184-F409 HydrophobicContact CE2-CZ 4.22Å; F184-F409 HydrophobicContact CZ-CB 4.47Å; F184-F409 AromaticContact CZ-CD1 3.87Å; F184-F409 HydrophobicContact CZ-CD1 3.87Å; F184-F409 HydrophobicContact CZ-CE1 4.26Å; F184-F409 HydrophobicContact CZ-CG 4.17Å
185S95.3Very high94.4Very high3 Ų321.1 Ų21.12%0.02111%0.113CC..  trans-125.9130.9173.8176.50000109.9A160 Q187 C194 A195 A399A160-S185 PolarHBondContact O-N 2.77Å; S185-Q187 PolarHBondContact OG-N 3.39Å; S185-Q187 PolarHBondContact OG-O 2.95Å; S185-Q187 VanDerWaalsContact OG-O 3.14Å; S185-C194 CarbonylContact O-C 3.55Å; S185-A195 WeakPolarHBondContact O-CB 3.42Å; S185-A195 PolarHBondContact O-N 2.81Å; S185-A399 WeakPolarHBondContact CB-O 3.48Å
186R93.6Very high94.6Very high64 Ų6421.6 Ų21.624%0.24210%0.104CC..SBendtrans-94.46.4174.3-70.1-74.9-70.1144.70.9113F184 A195 I197 T401 Q405 F409 E412F184-R186 HydrophobicContact CD2-CG 4.08Å; F184-R186 HydrophobicContact CE2-CG 3.81Å; R186-A195 HydrophobicContact CG-CB 4.44Å; R186-A195 PolarHBondContact NH1-O 3.48Å; R186-I197 VanDerWaalsContact NH2-CD1 3.33Å; R186-T401 HydrophobicContact CB-CG2 4.15Å; R186-T401 HydrophobicContact CG-CG2 3.82Å; R186-Q405 HydrophobicContact CB-CB 4.06Å; R186-Q405 HydrophobicContact CB-CG 4.12Å; R186-F409 HydrophobicContact CG-CD2 4.47Å; R186-E412 IonicContact NH2-OE1 3.26Å
187Q89.7Confident94.7Very high50 Ų5023.6 Ų23.623%0.23411%0.114CC..SBendtrans-106.3135.5173.2-176.2165.349.400110.1S185 R222S185-Q187 PolarHBondContact OG-N 3.39Å; S185-Q187 PolarHBondContact OG-O 2.95Å; S185-Q187 VanDerWaalsContact OG-O 3.14Å; Q187-R222 VanDerWaalsContact OE1-NH2 3.13Å
188E89Confident94.5Very high98 Ų9822 Ų2246%0.45811%0.107SC..  trans-73.8131.2171.6-164.4179.817500110.1L192 N294E188-L192 VanDerWaalsContact CG-O 3.23Å; E188-L192 WeakPolarHBondContact CG-O 3.3Å; E188-N294 HydrophobicContact CG-CB 4.37Å; E188-N294 WeakPolarHBondContact OE1-CB 3.34Å; E188-N294 PolarHBondContact OE1-ND2 3.05Å
189D88.4Confident94.3Very high17 Ų1727.4 Ų27.49%0.09114%0.142CC..  trans-95-177.9176.3-70.2-19.6000110.1H191 L192 R249 N294D189-H191 PolarHBondContact O-N 3.33Å; D189-L192 HydrophobicContact CB-CB 4.36Å; D189-L192 PolarHBondContact N-O 3.01Å; D189-L192 VanDerWaalsContact N-O 3.12Å; D189-R249 IonicContact OD2-CZ 3.4Å; D189-R249 IonicContact OD2-NH1 3.97Å; D189-R249 PolarHBondContact OD2-NH1 2.87Å; D189-R249 IonicContact OD2-NH2 3.5Å; D189-N294 PolarHBondContact O-ND2 3.29Å
190R91.3Very high93.9Very high20 Ų2030.9 Ų30.98%0.07516%0.16CC..SBendtrans-60.6-34.6174.5-69.7170.3165.6-92.52.5112E223 E252 L255 E259 N294R190-E223 IonicContact CZ-OE2 3.71Å; R190-E223 VanDerWaalsContact CZ-OE2 3.24Å; R190-E223 IonicContact NE-OE1 3.29Å; R190-E223 PolarHBondContact NE-OE1 3Å; R190-E223 IonicContact NE-OE2 3.91Å; R190-E223 PolarHBondContact NE-OE2 3.28Å; R190-E223 IonicContact NH2-OE2 3.37Å; R190-E223 PolarHBondContact NH2-OE2 3.03Å; R190-E252 VanDerWaalsContact CB-OE1 3.23Å; R190-E252 WeakPolarHBondContact CB-OE1 3.35Å; R190-E252 VanDerWaalsContact CG-OE1 3.27Å; R190-E252 WeakPolarHBondContact CG-OE1 3.16Å; R190-E252 PolarHBondContact N-OE1 3.35Å; R190-E252 PolarHBondContact N-OE2 3.41Å; R190-L255 HydrophobicContact CB-CD1 4.21Å; R190-E259 IonicContact CZ-OE1 3.5Å; R190-E259 IonicContact CZ-OE2 2.72Å; R190-E259 IonicContact NH1-OE1 3.76Å; R190-E259 PolarHBondContact NH1-OE1 3.3Å; R190-E259 IonicContact NH1-OE2 3.77Å; R190-E259 PolarHBondContact NH1-OE2 3.18Å; R190-E259 IonicContact NH2-OE1 4Å; R190-E259 PolarHBondContact NH2-OE1 2.95Å; R190-E259 IonicContact NH2-OE2 3.55Å; R190-N294 PolarHBondContact O-ND2 3.48Å
191H90.9Very high93.7Very high0 Ų037.4 Ų37.40%019%0.185CC..SBendtrans-117.5-20.7-178.974.6-71.6000117.2D189 E252 L255 Y286 M293 N294 I297 F307D189-H191 PolarHBondContact O-N 3.33Å; H191-E252 IonicContact CE1-OE2 3.63Å; H191-E252 PolarHBondContact CE1-OE2 3.37Å; H191-E252 IonicContact CG-OE2 2.87Å; H191-E252 IonicContact ND1-OE2 3.7Å; H191-E252 PolarHBondContact ND1-OE2 3.16Å; H191-L255 HydrophobicContact CB-CD1 3.81Å; H191-Y286 AromaticContact NE2-CE1 3.75Å; H191-M293 HydrophobicContact CB-SD 4.42Å; H191-M293 WeakPolarHBondContact O-CA 3.32Å; H191-M293 WeakPolarHBondContact O-CB 3.43Å; H191-N294 PolarHBondContact O-N 3.3Å; H191-N294 VanDerWaalsContact O-N 3.1Å; H191-I297 HydrophobicContact CB-CD1 4.11Å; H191-I297 HydrophobicContact CB-CG1 3.81Å; H191-F307 HydrophobicContact CB-CZ 3.98Å
192L92.2Very high93.7Very high6 Ų637.4 Ų37.43%0.03119%0.185CC..  trans-104.6145.7-177.8-62.7-172.6000112.2V163 L164 E188 D189V163-L192 VanDerWaalsContact CA-CD1 3.45Å; L164-L192 HydrophobicContact CB-CD2 4.31Å; L164-L192 HydrophobicContact CD1-CD2 4.38Å; E188-L192 VanDerWaalsContact CG-O 3.23Å; E188-L192 WeakPolarHBondContact CG-O 3.3Å; D189-L192 HydrophobicContact CB-CB 4.36Å; D189-L192 PolarHBondContact N-O 3.01Å; D189-L192 VanDerWaalsContact N-O 3.12Å
193M91.2Very high93.6Very high44 Ų4439.7 Ų39.722%0.21720%0.197CC..PPolyproline II helixtrans-69.9159.2165.366.3-146.5-52.700111.3H159 G161H159-M193 HydrophobicContact CB-CE 4.5Å; H159-M193 HydrophobicContact CB-CG 4.11Å; H159-M193 HydrophobicContact CB-SD 3.97Å; H159-M193 VanDerWaalsContact CE1-SD 3.53Å; H159-M193 PolarHBondContact ND1-SD 3.46Å; G161-M193 WeakPolarHBondContact CA-O 3.45Å
194C93.3Very high93.6Very high45 Ų4539.6 Ų39.630%0.30420%0.196SC..PPolyproline II helixtrans-72.8162168.566.70000111.3S185S185-C194 CarbonylContact O-C 3.55Å
195A96.4Very high93.6Very high0 Ų039.6 Ų39.60%020%0.196CC..PPolyproline II helixtrans-62138.3173.900000110.5H159 A160 M168 F184 S185 R186H159-A195 CarbonylContact O-C 3.57Å; H159-A195 WeakPolarHBondContact O-CA 3.45Å; A160-A195 WeakPolarHBondContact O-CB 3.37Å; M168-A195 HydrophobicContact CE-CB 4.15Å; M168-A195 HydrophobicContact SD-CB 4.33Å; F184-A195 HydrophobicContact CB-CB 4.07Å; F184-A195 HydrophobicContact CD2-CB 3.7Å; F184-A195 HydrophobicContact CG-CB 4.39Å; S185-A195 WeakPolarHBondContact O-CB 3.42Å; S185-A195 PolarHBondContact O-N 2.81Å; R186-A195 HydrophobicContact CG-CB 4.44Å; R186-A195 PolarHBondContact NH1-O 3.48Å
196E96Very high93.8Very high49 Ų4939.5 Ų39.523%0.22920%0.195CC..PPolyproline II helixtrans-78.2161.4178.1-71.2171.5153.900112H145 Y158 H159 M168H145-E196 IonicContact CD2-OE2 3.34Å; H145-E196 IonicContact CE1-OE1 2.68Å; H145-E196 PolarHBondContact CE1-OE1 2.85Å; H145-E196 IonicContact CE1-OE2 2.74Å; H145-E196 VanDerWaalsContact NE2-CD 3.29Å; H145-E196 IonicContact NE2-OE1 3.26Å; H145-E196 PolarHBondContact NE2-OE1 2.77Å; H145-E196 VanDerWaalsContact NE2-OE1 3.08Å; H145-E196 IonicContact NE2-OE2 2.97Å; H145-E196 PolarHBondContact NE2-OE2 3.09Å; Y158-E196 HydrophobicContact CD1-CB 4.49Å; Y158-E196 WeakPolarHBondContact CD1-OE2 3.36Å; H159-E196 HydrophobicContact CB-CG 4.04Å; H159-E196 IonicContact CD2-OE1 3.59Å; H159-E196 PolarHBondContact CD2-OE1 2.99Å; H159-E196 IonicContact CD2-OE2 3.71Å; H159-E196 PolarHBondContact N-OE2 3.26Å; H159-E196 PolarHBondContact O-N 3.13Å; M168-E196 HydrophobicContact CE-CB 4.47Å; M168-E196 WeakPolarHBondContact CE-O 3.24Å
197I95.8Very high94Very high54 Ų5436.4 Ų36.428%0.27718%0.184SC..  trans-103.6114.2165.2-67174.2000106.7R186 F409 E412 L413R186-I197 VanDerWaalsContact NH2-CD1 3.33Å; I197-F409 HydrophobicContact CG1-CD2 4.05Å; I197-F409 HydrophobicContact CG1-CE2 3.99Å; I197-E412 HydrophobicContact CD1-CB 3.77Å; I197-E412 HydrophobicContact CD1-CG 4.09Å; I197-E412 WeakPolarHBondContact CD1-OE2 3.38Å; I197-L413 HydrophobicContact CG2-CD2 3.85Å
198P94.6Very high94.4Very high5 Ų534.1 Ų34.13%0.03217%0.173CC..  trans-53137.4175.4-3035.7000111.3Y158 L179 I200Y158-P198 HydrophobicContact CD1-CB 4.46Å; Y158-P198 HydrophobicContact CD1-CG 4.31Å; Y158-P198 HydrophobicContact CD2-CB 4.18Å; Y158-P198 HydrophobicContact CD2-CG 3.79Å; Y158-P198 HydrophobicContact CE1-CB 4.21Å; Y158-P198 HydrophobicContact CE2-CB 3.9Å; Y158-P198 HydrophobicContact CE2-CG 4.04Å; Y158-P198 HydrophobicContact CG-CB 4.45Å; Y158-P198 HydrophobicContact CG-CG 3.94Å; L179-P198 HydrophobicContact CD1-CG 3.94Å; L179-P198 HydrophobicContact CD2-CG 3.86Å; P198-I200 PolarHBondContact O-N 2.87Å; P198-I200 VanDerWaalsContact O-N 3.1Å
199P92.6Very high94.8Very high113 Ų11329.6 Ų29.673%0.73415%0.152SC*.SBendtrans-68.1-10.9-17927.7-34.8000113.1
200I91.9Very high95Very high73 Ų7329.1 Ų29.137%0.37415%0.15SC..SBendtrans-110.6126.9-177.6-56.6172.7000108.6L170 K177 P198 P202L170-I200 HydrophobicContact CD2-CB 4.27Å; L170-I200 HydrophobicContact CD2-CD1 4.42Å; K177-I200 HydrophobicContact CD-CG2 3.35Å; P198-I200 PolarHBondContact O-N 2.87Å; P198-I200 VanDerWaalsContact O-N 3.1Å; I200-P202 WeakPolarHBondContact O-CD 3.42Å
201R94.7Very high94.9Very high141 Ų14128.9 Ų28.953%0.53215%0.149SC..  trans-62.5121.4174.4173.2170.5-176.7-166.21.7110.6L413 K414R201-L413 WeakPolarHBondContact CG-O 3.39Å; R201-K414 PolarHBondContact NE-O 2.8Å; R201-K414 PolarHBondContact NH2-O 3.27Å
202P96.8Very high94.8Very high0 Ų029.1 Ų29.10%015%0.151CC..  trans-77.7148.4171.631.7-33000111L170 L179 I200 L413 P415L170-P202 HydrophobicContact CD1-CB 4.42Å; L179-P202 HydrophobicContact CB-CB 3.85Å; L179-P202 HydrophobicContact CB-CG 4.02Å; L179-P202 HydrophobicContact CD2-CG 4.43Å; I200-P202 WeakPolarHBondContact O-CD 3.42Å; P202-L413 HydrophobicContact CG-CB 4.45Å; P202-L413 HydrophobicContact CG-CD1 4.43Å; P202-L413 HydrophobicContact CG-CD2 4.37Å; P202-P415 WeakPolarHBondContact O-CA 3.34Å
203D96.4Very high94.7Very high50 Ų5032.1 Ų32.127%0.26717%0.167SC..SBendtrans-76.2-40.2170.5-60.2-64.9000110.8V176 K177 S416 Y417 F462V176-D203 WeakPolarHBondContact CA-OD2 3.35Å; V176-D203 HydrophobicContact CG1-CB 4.36Å; K177-D203 PolarHBondContact N-OD2 3.37Å; K177-D203 WeakPolarHBondContact O-CB 3.27Å; K177-D203 PolarHBondContact O-N 3.41Å; D203-S416 PolarHBondContact O-N 2.76Å; D203-Y417 PolarHBondContact O-N 2.78Å; D203-Y417 VanDerWaalsContact O-N 3.14Å; D203-F462 HydrophobicContact CB-CE1 3.77Å; D203-F462 HydrophobicContact CB-CZ 4.07Å
204V98.1Very high94.7Very high0 Ų034.5 Ų34.50%018%0.177CC..EExtended strand (participates in β ladder)trans-123.1130.7179.2-1720000110.2I15 K177 I178 L179 I206 Y417 V419 L460 F462I15-V204 HydrophobicContact CD1-CG1 3.72Å; K177-V204 PolarHBondContact O-N 3.06Å; K177-V204 VanDerWaalsContact O-N 3.11Å; I178-V204 CarbonylContact C-O 3.48Å; I178-V204 VanDerWaalsContact CA-O 3.3Å; I178-V204 WeakPolarHBondContact CA-O 3.4Å; I178-V204 HydrophobicContact CG1-CB 4.25Å; I178-V204 HydrophobicContact CG1-CG2 4.5Å; I178-V204 HydrophobicContact CG2-CB 4.28Å; L179-V204 PolarHBondContact N-O 2.9Å; V204-I206 HydrophobicContact CG1-CG1 4.4Å; V204-Y417 CarbonylContact C-O 3.59Å; V204-Y417 WeakPolarHBondContact CA-O 3.39Å; V204-Y417 HydrophobicContact CG2-CD2 4.23Å; V204-V419 HydrophobicContact CG1-CG2 4.37Å; V204-L460 HydrophobicContact CG1-CD1 4.2Å; V204-L460 HydrophobicContact CG2-CD1 3.75Å; V204-F462 HydrophobicContact CG2-CE2 3.84Å; V204-F462 HydrophobicContact CG2-CZ 3.54Å
205L98.4Very high94.6Very high0 Ų036.4 Ų36.40%018%0.183CC..EExtended strand (participates in β ladder)trans-109.5122.1170.6173.964.3000109.4L179 T181 T207 F409 I410 L413 P415 Y417 V418 V419L179-L205 HydrophobicContact CB-CD1 4.09Å; L179-L205 HydrophobicContact CD2-CD1 3.96Å; L179-L205 HydrophobicContact CG-CD1 4.09Å; T181-L205 HydrophobicContact CG2-CD1 3.85Å; L205-T207 HydrophobicContact CD2-CG2 4.24Å; L205-T207 HydrophobicContact CG-CG2 4.25Å; L205-F409 HydrophobicContact CD1-CE1 4.16Å; L205-F409 HydrophobicContact CD2-CD1 4.43Å; L205-I410 HydrophobicContact CD2-CG1 3.8Å; L205-L413 HydrophobicContact CD1-CD1 4.23Å; L205-L413 HydrophobicContact CD2-CD1 4.28Å; L205-P415 HydrophobicContact CB-CB 3.84Å; L205-P415 HydrophobicContact CB-CG 3.79Å; L205-P415 HydrophobicContact CD2-CG 4.11Å; L205-Y417 PolarHBondContact N-O 3.18Å; L205-V418 HydrophobicContact CB-CG2 4.34Å; L205-V418 HydrophobicContact CD2-CG2 4.41Å; L205-V418 CarbonylContact O-C 3.58Å; L205-V418 VanDerWaalsContact O-CA 3.31Å; L205-V418 WeakPolarHBondContact O-CA 3.39Å; L205-V419 PolarHBondContact O-N 3.26Å
206I98.7Very high94.1Very high0 Ų038 Ų380%019%0.19CC..EExtended strand (participates in β ladder)trans-104.3109.1168.8-52.8174.3000106.5I15 I29 L40 I178 L179 Y180 T181 V204 V419 V421I15-I206 HydrophobicContact CD1-CD1 3.96Å; I15-I206 HydrophobicContact CD1-CG1 4.18Å; I15-I206 HydrophobicContact CG1-CD1 4.26Å; I15-I206 HydrophobicContact CG2-CD1 3.96Å; I29-I206 HydrophobicContact CD1-CG2 4Å; L40-I206 HydrophobicContact CD1-CD1 3.99Å; I178-I206 HydrophobicContact CG2-CD1 3.88Å; I178-I206 HydrophobicContact CG2-CG1 4.2Å; L179-I206 PolarHBondContact O-N 2.81Å; Y180-I206 WeakPolarHBondContact CA-O 3.25Å; Y180-I206 HydrophobicContact CD2-CB 3.98Å; Y180-I206 HydrophobicContact CD2-CG2 3.79Å; Y180-I206 HydrophobicContact CE2-CG2 4.24Å; T181-I206 PolarHBondContact N-O 2.91Å; V204-I206 HydrophobicContact CG1-CG1 4.4Å; I206-V419 WeakPolarHBondContact CA-O 3.22Å; I206-V419 HydrophobicContact CG1-CB 4.3Å; I206-V421 HydrophobicContact CG2-CG1 4.14Å; I206-V421 HydrophobicContact CG2-CG2 3.87Å
207T98.4Very high93.6Very high0 Ų039.3 Ų39.30%020%0.199CC..EExtended strand (participates in β ladder)trans-127.4148.6-171.3-172.50000112.2T181 L205 V418 V419 L420 V421T181-T207 WeakPolarHBondContact OG1-CA 3.07Å; L205-T207 HydrophobicContact CD2-CG2 4.24Å; L205-T207 HydrophobicContact CG-CG2 4.25Å; T207-V418 HydrophobicContact CG2-CG1 3.96Å; T207-V419 PolarHBondContact N-O 3.48Å; T207-L420 HydrophobicContact CG2-CD2 3.63Å; T207-V421 WeakPolarHBondContact O-CG2 3.46Å; T207-V421 PolarHBondContact O-N 3.04Å
208E98Very high93.4Very high2 Ų243.1 Ų43.11%0.00921%0.214CC..EExtended strand (participates in β ladder)trans-63.9161.3171.864.5156.6138.100112.5T181 D183 F184 T210 H400 V421 H422T181-E208 PolarHBondContact OG1-N 2.71Å; D183-E208 WeakPolarHBondContact CA-OE1 3.46Å; F184-E208 HydrophobicContact CD1-CG 3.75Å; F184-E208 WeakPolarHBondContact CD1-OE1 3.39Å; F184-E208 HydrophobicContact CE1-CG 3.78Å; F184-E208 PolarHBondContact N-OE1 3.43Å; F184-E208 VanDerWaalsContact O-OE1 3.13Å; E208-T210 VanDerWaalsContact OE2-CB 3.22Å; E208-T210 WeakPolarHBondContact OE2-CB 3.39Å; E208-T210 PolarHBondContact OE2-OG1 2.77Å; E208-H400 VanDerWaalsContact CD-ND1 3.35Å; E208-H400 IonicContact OE1-CG 3.65Å; E208-H400 IonicContact OE1-ND1 2.74Å; E208-H400 PolarHBondContact OE1-ND1 2.97Å; E208-H400 IonicContact OE2-CE1 3.73Å; E208-H400 IonicContact OE2-CG 3.08Å; E208-H400 IonicContact OE2-ND1 3.69Å; E208-H400 PolarHBondContact OE2-ND1 2.71Å; E208-V421 CarbonylContact C-O 3.58Å; E208-V421 VanDerWaalsContact CA-O 3.26Å; E208-V421 WeakPolarHBondContact CA-O 3.32Å; E208-H422 HydrophobicContact CB-CB 4Å
209A97.1Very high93.2Very high3 Ų345.2 Ų45.23%0.02522%0.221CC..  trans-136.524.8-179.600000112.2Y211 G212 L420 V421 H422 M428 L431A209-Y211 PolarHBondContact O-N 2.92Å; A209-G212 PolarHBondContact O-N 3.49Å; A209-G212 VanDerWaalsContact O-N 3.1Å; A209-L420 HydrophobicContact CB-CB 4.38Å; A209-V421 PolarHBondContact N-O 2.67Å; A209-H422 CarbonylContact C-O 3.38Å; A209-H422 VanDerWaalsContact C-O 3.3Å; A209-H422 PolarHBondContact N-O 2.98Å; A209-M428 HydrophobicContact CB-CB 4.26Å; A209-M428 HydrophobicContact CB-CE 4.1Å; A209-M428 HydrophobicContact CB-CG 4.02Å; A209-L431 HydrophobicContact CB-CD2 3.76Å
210T92.7Very high93.2Very high6 Ų645.1 Ų45.14%0.03721%0.211CC..THydrogen-bonded Turntrans-55.4-44.3-166.6-54.60000113.5E208 Y361 H400 H422E208-T210 VanDerWaalsContact OE2-CB 3.22Å; E208-T210 WeakPolarHBondContact OE2-CB 3.39Å; E208-T210 PolarHBondContact OE2-OG1 2.77Å; T210-Y361 HydrophobicContact CG2-CD2 3.75Å; T210-Y361 HydrophobicContact CG2-CE2 3.99Å; T210-Y361 HydrophobicContact CG2-CG 4.19Å; T210-H400 PolarHBondContact OG1-ND1 3.46Å; T210-H422 WeakPolarHBondContact CA-O 3.16Å; T210-H422 PolarHBondContact N-O 3.29Å; T210-H422 PolarHBondContact OG1-ND1 3.04Å; T210-H422 PolarHBondContact OG1-O 3.49Å
211Y89.4Confident93.3Very high16 Ų1646.7 Ų46.76%0.06322%0.217CC..THydrogen-bonded Turntrans-100.74.1-179.5-82.2-84.8000114.2A209 I213 H214 H216 Y394 S396 S398 H400A209-Y211 PolarHBondContact O-N 2.92Å; Y211-I213 PolarHBondContact O-N 3.3Å; Y211-H214 HydrophobicContact CD1-CB 4.13Å; Y211-H214 WeakPolarHBondContact O-CB 3.13Å; Y211-H214 PolarHBondContact O-CD2 2.92Å; Y211-H214 PolarHBondContact O-N 2.64Å; Y211-H216 AromaticContact CD1-CE1 3.75Å; Y211-H216 AromaticContact CE1-CE1 3.85Å; Y211-H216 AromaticContact CG-CE1 3.84Å; Y211-Y394 PolarHBondContact OH-OH 3.43Å; Y211-S396 PolarHBondContact OH-OG 3.33Å; Y211-S398 WeakPolarHBondContact CE2-OG 3.38Å; Y211-S398 VanDerWaalsContact CZ-OG 3.27Å; Y211-S398 PolarHBondContact OH-OG 3.1Å; Y211-H400 HydrophobicContact CD2-CB 3.61Å; Y211-H400 HydrophobicContact CE2-CB 3.85Å; Y211-H400 AromaticContact CE2-CD2 3.89Å
212G87.9Confident93.3Very high4 Ų440.8 Ų40.84%0.04119%0.194CC..THydrogen-bonded Turntrans46.1-114.6174.500000113.6A209A209-G212 PolarHBondContact O-N 3.49Å; A209-G212 VanDerWaalsContact O-N 3.1Å
213I91.2Very high93.2Very high70 Ų7041.6 Ų41.636%0.35920%0.198SC..THydrogen-bonded Turntrans-98.78.2-179.862.1165000114.2Y211 Y403 R430 A434Y211-I213 PolarHBondContact O-N 3.3Å; I213-Y403 HydrophobicContact CG2-CD2 4.19Å; I213-R430 HydrophobicContact CD1-CB 4.19Å; I213-R430 HydrophobicContact CG1-CB 4.27Å; I213-R430 HydrophobicContact CG2-CB 4.02Å; I213-A434 HydrophobicContact CG2-CB 3.95Å
214H90.3Very high93.2Very high94 Ų9441.6 Ų41.644%0.43521%0.205SC..  trans-67.2157.5176.7-64.1-65.1000111.2Y211 D402 Y403 E427Y211-H214 HydrophobicContact CD1-CB 4.13Å; Y211-H214 WeakPolarHBondContact O-CB 3.13Å; Y211-H214 PolarHBondContact O-CD2 2.92Å; Y211-H214 PolarHBondContact O-N 2.64Å; H214-D402 WeakPolarHBondContact O-CB 3.42Å; H214-Y403 PolarHBondContact O-N 3.21Å; H214-E427 IonicContact NE2-OE2 2.72Å
215I91Very high93.2Very high85 Ų8546.7 Ų46.744%0.43622%0.224SC..  trans-123.2133.5175.3-59.7-63.4000107.6Y403 Q404I215-Y403 HydrophobicContact CD1-CD1 4.5Å; I215-Q404 HydrophobicContact CD1-CB 4.3Å; I215-Q404 HydrophobicContact CD1-CG 3.65Å
216H85.4Confident93.1Very high32 Ų3246.7 Ų46.715%0.14822%0.224CC..PPolyproline II helixtrans-79.8143.3178.1-73.1-38.5000111.9Y211 H400 D402Y211-H216 AromaticContact CD1-CE1 3.75Å; Y211-H216 AromaticContact CE1-CE1 3.85Å; Y211-H216 AromaticContact CG-CE1 3.84Å; H216-H400 PolarHBondContact NE2-O 3.45Å; H216-D402 HydrophobicContact CB-CB 4.44Å; H216-D402 PolarHBondContact N-OD2 3.4Å
217D86.6Confident93.1Very high78 Ų7847.2 Ų47.242%0.41723%0.227SC..PPolyproline II helixtrans-60149.8162.5-62.5-29.6000109.4R219 R222 R225D217-R219 PolarHBondContact O-N 3.29Å; D217-R222 HydrophobicContact CB-CB 4.44Å; D217-R222 PolarHBondContact O-NH2 2.98Å; D217-R225 IonicContact OD2-NH1 3.4Å
218K90.9Very high93Very high133 Ų13350 Ų5058%0.57825%0.246SC*.PPolyproline II helixtrans-55144.9172.8-68.5-179-175.8166.70109.8E220 E221 R222K218-E220 PolarHBondContact O-N 3.19Å; K218-E221 HydrophobicContact CB-CB 4.39Å; K218-E221 HydrophobicContact CB-CG 4.2Å; K218-E221 PolarHBondContact O-N 3.36Å; K218-E221 VanDerWaalsContact O-N 3.12Å; K218-R222 WeakPolarHBondContact O-CB 3.29Å; K218-R222 PolarHBondContact O-N 3.24Å
219R90.4Very high93Very high50 Ų5051.6 Ų51.619%0.18926%0.255CS..Hα-helixtrans-55.7-42.6-176.2-173.1-177.564.585.119.6111.1D217 R222 E223D217-R219 PolarHBondContact O-N 3.29Å; R219-R222 PolarHBondContact O-N 2.83Å; R219-E223 HydrophobicContact CG-CG 4.49Å; R219-E223 IonicContact CZ-OE1 3.16Å; R219-E223 IonicContact NH1-OE1 2.82Å; R219-E223 PolarHBondContact NH1-OE1 2.61Å; R219-E223 WeakPolarHBondContact O-CB 3.41Å; R219-E223 WeakPolarHBondContact O-CG 3.27Å; R219-E223 PolarHBondContact O-N 3.32Å
220E92.8Very high93Very high110 Ų11051.4 Ų51.451%0.51425%0.254SS..Hα-helixtrans-63.5-43.3179.6-6169.4-148.200112.1K218 A224K218-E220 PolarHBondContact O-N 3.19Å; E220-A224 VanDerWaalsContact O-CB 3.27Å; E220-A224 WeakPolarHBondContact O-CB 3.38Å; E220-A224 PolarHBondContact O-N 2.84Å
221E94.7Very high93.3Very high107 Ų10753 Ų5350%0.526%0.26SS..Hα-helixtrans-67.2-39.5178.2-68170.2-170.900111K218 A224 R225K218-E221 HydrophobicContact CB-CB 4.39Å; K218-E221 HydrophobicContact CB-CG 4.2Å; K218-E221 PolarHBondContact O-N 3.36Å; K218-E221 VanDerWaalsContact O-N 3.12Å; E221-A224 PolarHBondContact O-N 3.37Å; E221-R225 VanDerWaalsContact O-CB 3.3Å; E221-R225 WeakPolarHBondContact O-CB 3.35Å; E221-R225 PolarHBondContact O-N 2.78Å
222R93.6Very high93.7Very high16 Ų1656.8 Ų56.86%0.0628%0.282CS..Hα-helixtrans-67.5-45.8177.8-167.3-179.3-17.1156.48.1112.4Q187 D217 K218 R219 R225 F226 I395 S396 F397Q187-R222 VanDerWaalsContact OE1-NH2 3.13Å; D217-R222 HydrophobicContact CB-CB 4.44Å; D217-R222 PolarHBondContact O-NH2 2.98Å; K218-R222 WeakPolarHBondContact O-CB 3.29Å; K218-R222 PolarHBondContact O-N 3.24Å; R219-R222 PolarHBondContact O-N 2.83Å; R222-R225 PolarHBondContact O-N 3.28Å; R222-F226 WeakPolarHBondContact O-CB 3.42Å; R222-F226 PolarHBondContact O-N 2.89Å; R222-I395 HydrophobicContact CG-CG2 3.61Å; R222-S396 WeakPolarHBondContact CD-O 3.5Å; R222-S396 PolarHBondContact NH1-O 2.9Å; R222-S396 VanDerWaalsContact NH1-O 3.15Å; R222-F397 HydrophobicContact CG-CE1 4.33Å; R222-F397 HydrophobicContact CG-CE2 4.19Å; R222-F397 HydrophobicContact CG-CZ 3.92Å
223E95.7Very high94.2Very high18 Ų1856.7 Ų56.78%0.08428%0.281CS..Hα-helixtrans-60.7-45.8174-75.5-173.4-148.200110.9R190 R219 R225 F226 T227 I256 F397R190-E223 IonicContact CZ-OE2 3.71Å; R190-E223 VanDerWaalsContact CZ-OE2 3.24Å; R190-E223 IonicContact NE-OE1 3.29Å; R190-E223 PolarHBondContact NE-OE1 3Å; R190-E223 IonicContact NE-OE2 3.91Å; R190-E223 PolarHBondContact NE-OE2 3.28Å; R190-E223 IonicContact NH2-OE2 3.37Å; R190-E223 PolarHBondContact NH2-OE2 3.03Å; R219-E223 HydrophobicContact CG-CG 4.49Å; R219-E223 IonicContact CZ-OE1 3.16Å; R219-E223 IonicContact NH1-OE1 2.82Å; R219-E223 PolarHBondContact NH1-OE1 2.61Å; R219-E223 WeakPolarHBondContact O-CB 3.41Å; R219-E223 WeakPolarHBondContact O-CG 3.27Å; R219-E223 PolarHBondContact O-N 3.32Å; E223-R225 PolarHBondContact O-N 3.26Å; E223-F226 PolarHBondContact O-N 3.06Å; E223-T227 WeakPolarHBondContact O-CG2 3.4Å; E223-T227 PolarHBondContact O-N 2.88Å; E223-T227 PolarHBondContact O-OG1 2.83Å; E223-T227 VanDerWaalsContact O-OG1 3.1Å; E223-I256 HydrophobicContact CG-CD1 3.89Å; E223-I256 HydrophobicContact CG-CG1 4.18Å; E223-F397 HydrophobicContact CG-CE1 4.29Å
224A96.5Very high94.5Very high49 Ų4953.5 Ų53.541%0.40526%0.264SS..Hα-helixtrans-62.9-42.9178.300000112.6E220 E221 F226 T227 S228E220-A224 VanDerWaalsContact O-CB 3.27Å; E220-A224 WeakPolarHBondContact O-CB 3.38Å; E220-A224 PolarHBondContact O-N 2.84Å; E221-A224 PolarHBondContact O-N 3.37Å; A224-F226 VanDerWaalsContact C-N 3.35Å; A224-T227 PolarHBondContact O-OG1 3.19Å; A224-S228 WeakPolarHBondContact O-CB 3.45Å; A224-S228 PolarHBondContact O-N 3.48Å; A224-S228 PolarHBondContact O-OG 2.77Å
225R96.6Very high94.8Very high108 Ų10853.4 Ų53.441%0.40827%0.27SS..Hα-helixtrans-63-42175.6-178.2178.4160.8-153.5-11.1111.3D217 E221 R222 E223 L229 Y394 I395D217-R225 IonicContact OD2-NH1 3.4Å; E221-R225 VanDerWaalsContact O-CB 3.3Å; E221-R225 WeakPolarHBondContact O-CB 3.35Å; E221-R225 PolarHBondContact O-N 2.78Å; R222-R225 PolarHBondContact O-N 3.28Å; E223-R225 PolarHBondContact O-N 3.26Å; R225-L229 HydrophobicContact CG-CD1 4.13Å; R225-L229 WeakPolarHBondContact O-CB 3.41Å; R225-L229 WeakPolarHBondContact O-CG 3.16Å; R225-L229 PolarHBondContact O-N 3.08Å; R225-L229 VanDerWaalsContact O-N 3.08Å; R225-Y394 PolarHBondContact NH2-O 3.36Å; R225-I395 HydrophobicContact CG-CD1 4.26Å
226F97.4Very high95Very high0 Ų054.4 Ų54.40%027%0.269CS..Hα-helixtrans-62.5-51.6176.7171.1-107.8000112.4R222 E223 A224 S228 L229 V230 I242 L253 I256 L257 I357 I395 F397R222-F226 WeakPolarHBondContact O-CB 3.42Å; R222-F226 PolarHBondContact O-N 2.89Å; E223-F226 PolarHBondContact O-N 3.06Å; A224-F226 VanDerWaalsContact C-N 3.35Å; F226-S228 VanDerWaalsContact C-N 3.35Å; F226-S228 PolarHBondContact O-N 2.94Å; F226-L229 PolarHBondContact O-N 2.94Å; F226-V230 HydrophobicContact CD2-CG2 4.35Å; F226-V230 HydrophobicContact CE2-CG2 3.98Å; F226-V230 HydrophobicContact CZ-CG2 4.08Å; F226-V230 WeakPolarHBondContact O-CG2 3.47Å; F226-V230 PolarHBondContact O-N 3.47Å; F226-I242 HydrophobicContact CE2-CD1 3.94Å; F226-I242 HydrophobicContact CZ-CD1 3.8Å; F226-L253 HydrophobicContact CE1-CD2 4.11Å; F226-L253 HydrophobicContact CE2-CD2 4.13Å; F226-L253 HydrophobicContact CZ-CB 4.49Å; F226-L253 HydrophobicContact CZ-CD2 3.86Å; F226-I256 HydrophobicContact CD1-CG2 3.87Å; F226-I256 HydrophobicContact CE1-CB 4.47Å; F226-I256 HydrophobicContact CE1-CG2 4.08Å; F226-L257 HydrophobicContact CE1-CD2 3.8Å; F226-L257 HydrophobicContact CE1-CG 3.88Å; F226-L257 HydrophobicContact CZ-CD1 4.26Å; F226-L257 HydrophobicContact CZ-CD2 4.06Å; F226-L257 HydrophobicContact CZ-CG 4.11Å; F226-I357 HydrophobicContact CD2-CD1 4.46Å; F226-I357 HydrophobicContact CD2-CG2 4.12Å; F226-I357 HydrophobicContact CE2-CD1 4.44Å; F226-I357 HydrophobicContact CE2-CG2 4.26Å; F226-I395 VanDerWaalsContact CA-CD1 3.48Å; F226-I395 HydrophobicContact CB-CD1 3.9Å; F226-I395 HydrophobicContact CB-CG2 4.48Å; F226-I395 HydrophobicContact CD2-CD1 4.23Å; F226-F397 HydrophobicContact CB-CE2 3.73Å; F226-F397 HydrophobicContact CB-CZ 3.77Å; F226-F397 HydrophobicContact CD1-CE2 4.45Å; F226-F397 HydrophobicContact CD1-CZ 4.32Å; F226-F397 HydrophobicContact CD2-CE2 4.03Å; F226-F397 AromaticContact CG-CE2 3.82Å; F226-F397 HydrophobicContact CG-CE2 3.82Å; F226-F397 HydrophobicContact CG-CZ 4.01Å
227T97.6Very high95.5Very high11 Ų1154 Ų547%0.06727%0.273CS..Hα-helixtrans-67-36.7-178.553.50000112.3E223 A224 V230 H231 I256 Y260E223-T227 WeakPolarHBondContact O-CG2 3.4Å; E223-T227 PolarHBondContact O-N 2.88Å; E223-T227 PolarHBondContact O-OG1 2.83Å; E223-T227 VanDerWaalsContact O-OG1 3.1Å; A224-T227 PolarHBondContact O-OG1 3.19Å; T227-V230 PolarHBondContact O-N 3.34Å; T227-H231 VanDerWaalsContact O-CB 3.31Å; T227-H231 WeakPolarHBondContact O-CB 3.43Å; T227-H231 PolarHBondContact O-N 2.96Å; T227-I256 HydrophobicContact CG2-CG2 3.63Å; T227-Y260 VanDerWaalsContact CB-CD2 3.41Å; T227-Y260 VanDerWaalsContact CB-CE2 3.49Å; T227-Y260 HydrophobicContact CG2-CD1 4.31Å; T227-Y260 HydrophobicContact CG2-CD2 3.56Å; T227-Y260 HydrophobicContact CG2-CE2 4.17Å; T227-Y260 HydrophobicContact CG2-CG 3.64Å
228S97.3Very high96.1Very high57 Ų5750.3 Ų50.340%0.39925%0.253SS..Hα-helixtrans-63.6-43.7175.6-63.80000112A224 F226 H231 D232A224-S228 WeakPolarHBondContact O-CB 3.45Å; A224-S228 PolarHBondContact O-N 3.48Å; A224-S228 PolarHBondContact O-OG 2.77Å; F226-S228 VanDerWaalsContact C-N 3.35Å; F226-S228 PolarHBondContact O-N 2.94Å; S228-H231 WeakPolarHBondContact O-CB 3.47Å; S228-H231 PolarHBondContact O-N 3.19Å; S228-D232 WeakPolarHBondContact O-CB 3.28Å; S228-D232 VanDerWaalsContact O-CG 3.29Å; S228-D232 PolarHBondContact O-N 2.99Å
229L97.3Very high96.4Very high36 Ų3645.5 Ų45.519%0.18823%0.231CC..Hα-helixtrans-64.9-41.5176.3-79.2167.8000112.3R225 F226 D232 I233 I357 D393 I395R225-L229 HydrophobicContact CG-CD1 4.13Å; R225-L229 WeakPolarHBondContact O-CB 3.41Å; R225-L229 WeakPolarHBondContact O-CG 3.16Å; R225-L229 PolarHBondContact O-N 3.08Å; R225-L229 VanDerWaalsContact O-N 3.08Å; F226-L229 PolarHBondContact O-N 2.94Å; L229-D232 PolarHBondContact O-N 2.85Å; L229-I233 WeakPolarHBondContact O-CD1 3.42Å; L229-I233 VanDerWaalsContact O-CG1 3.26Å; L229-I233 WeakPolarHBondContact O-CG1 3.45Å; L229-I233 PolarHBondContact O-N 2.77Å; L229-I233 VanDerWaalsContact O-N 3.13Å; L229-I357 HydrophobicContact CB-CD1 4.08Å; L229-D393 HydrophobicContact CD1-CB 4.16Å; L229-I395 HydrophobicContact CD1-CD1 3.51Å; L229-I395 HydrophobicContact CD1-CG1 4.23Å
230V98.1Very high96.8Very high0 Ų043.1 Ų43.10%022%0.222CC..Hα-helixtrans-60.3-47.8174.11730000110.4F226 T227 D232 I233 V234 I242 L257 W261 V328 I357F226-V230 HydrophobicContact CD2-CG2 4.35Å; F226-V230 HydrophobicContact CE2-CG2 3.98Å; F226-V230 HydrophobicContact CZ-CG2 4.08Å; F226-V230 WeakPolarHBondContact O-CG2 3.47Å; F226-V230 PolarHBondContact O-N 3.47Å; T227-V230 PolarHBondContact O-N 3.34Å; V230-D232 PolarHBondContact O-N 3.49Å; V230-I233 PolarHBondContact O-N 3.37Å; V230-V234 WeakPolarHBondContact O-CG2 3.34Å; V230-V234 PolarHBondContact O-N 2.88Å; V230-V234 VanDerWaalsContact O-N 3.14Å; V230-I242 HydrophobicContact CG2-CD1 4.35Å; V230-L257 HydrophobicContact CB-CD2 4.48Å; V230-L257 HydrophobicContact CG1-CD2 4.04Å; V230-L257 HydrophobicContact CG2-CD2 4.25Å; V230-W261 HydrophobicContact CG1-CH2 3.72Å; V230-W261 HydrophobicContact CG1-CZ3 3.9Å; V230-V328 HydrophobicContact CG1-CG1 4.45Å; V230-V328 HydrophobicContact CG1-CG2 3.65Å; V230-I357 HydrophobicContact CG2-CD1 3.56Å
231H98.1Very high97Very high38 Ų3838 Ų3818%0.17620%0.199CC..Hα-helixtrans-57-49.4177.7-166.3138.5000110.9T227 S228 I233 V234 T235 Y260 E266T227-H231 VanDerWaalsContact O-CB 3.31Å; T227-H231 WeakPolarHBondContact O-CB 3.43Å; T227-H231 PolarHBondContact O-N 2.96Å; S228-H231 WeakPolarHBondContact O-CB 3.47Å; S228-H231 PolarHBondContact O-N 3.19Å; H231-I233 VanDerWaalsContact C-N 3.31Å; H231-I233 PolarHBondContact O-N 3.12Å; H231-V234 VanDerWaalsContact O-CG2 3.24Å; H231-V234 WeakPolarHBondContact O-CG2 3.42Å; H231-V234 PolarHBondContact O-N 3.11Å; H231-T235 PolarHBondContact CD2-OG1 3Å; H231-T235 PolarHBondContact NE2-OG1 3.2Å; H231-T235 WeakPolarHBondContact O-CB 3.48Å; H231-T235 PolarHBondContact O-N 2.96Å; H231-T235 PolarHBondContact O-OG1 3.19Å; H231-T235 VanDerWaalsContact O-OG1 3.13Å; H231-Y260 HydrophobicContact CB-CE1 4.28Å; H231-Y260 AromaticContact ND1-CE1 3.85Å; H231-Y260 AromaticContact ND1-CZ 3.86Å; H231-Y260 PolarHBondContact ND1-OH 2.75Å; H231-E266 IonicContact CE1-OE1 3.49Å
232D97.8Very high97.1Very high97 Ų9733 Ų3352%0.51918%0.175SC..Hα-helixtrans-59.5-40.2-179.5-75.1-17.3000112.6S228 L229 V230 R236S228-D232 WeakPolarHBondContact O-CB 3.28Å; S228-D232 VanDerWaalsContact O-CG 3.29Å; S228-D232 PolarHBondContact O-N 2.99Å; L229-D232 PolarHBondContact O-N 2.85Å; V230-D232 PolarHBondContact O-N 3.49Å; D232-R236 VanDerWaalsContact O-CG 3.31Å; D232-R236 WeakPolarHBondContact O-CG 3.27Å; D232-R236 PolarHBondContact O-N 2.91Å
233I98.2Very high97.2Very high2 Ų232.3 Ų32.31%0.0117%0.173CC..Hα-helixtrans-66-44.6178.8-66.9161.3000111.1L229 V230 H231 R236 G238 C240 I357L229-I233 WeakPolarHBondContact O-CD1 3.42Å; L229-I233 VanDerWaalsContact O-CG1 3.26Å; L229-I233 WeakPolarHBondContact O-CG1 3.45Å; L229-I233 PolarHBondContact O-N 2.77Å; L229-I233 VanDerWaalsContact O-N 3.13Å; V230-I233 PolarHBondContact O-N 3.37Å; H231-I233 VanDerWaalsContact C-N 3.31Å; H231-I233 PolarHBondContact O-N 3.12Å; I233-R236 VanDerWaalsContact O-CG 3.3Å; I233-R236 WeakPolarHBondContact O-CG 3.3Å; I233-G238 VanDerWaalsContact O-CA 3.31Å; I233-G238 WeakPolarHBondContact O-CA 3.28Å; I233-G238 PolarHBondContact O-N 2.9Å; I233-C240 HydrophobicContact CB-CB 4.21Å; I233-C240 HydrophobicContact CD1-CB 4.25Å; I233-C240 HydrophobicContact CG2-CB 3.73Å; I233-I357 HydrophobicContact CD1-CD1 4.1Å; I233-I357 HydrophobicContact CD1-CG1 4.21Å
234V97.6Very high96.9Very high2 Ų232.1 Ų32.11%0.01217%0.174CC..Hα-helixtrans-74.2-36.8-177.5-610000111.7V230 H231 R236 G237 L267 I270 P326 V328V230-V234 WeakPolarHBondContact O-CG2 3.34Å; V230-V234 PolarHBondContact O-N 2.88Å; V230-V234 VanDerWaalsContact O-N 3.14Å; H231-V234 VanDerWaalsContact O-CG2 3.24Å; H231-V234 WeakPolarHBondContact O-CG2 3.42Å; H231-V234 PolarHBondContact O-N 3.11Å; V234-R236 VanDerWaalsContact C-N 3.34Å; V234-R236 PolarHBondContact O-N 3.33Å; V234-G237 WeakPolarHBondContact O-CA 3.44Å; V234-G237 PolarHBondContact O-N 2.61Å; V234-L267 HydrophobicContact CG2-CD2 4.05Å; V234-I270 HydrophobicContact CB-CD1 3.86Å; V234-I270 HydrophobicContact CB-CG2 4Å; V234-I270 HydrophobicContact CG1-CG2 3.99Å; V234-I270 HydrophobicContact CG2-CD1 3.85Å; V234-P326 HydrophobicContact CB-CB 4.17Å; V234-P326 WeakPolarHBondContact O-CB 3.44Å; V234-V328 HydrophobicContact CG1-CG2 3.72Å
235T96.3Very high96.2Very high92 Ų9232.9 Ų32.956%0.56417%0.169SC*.Hα-helixtrans-69-29.2179.4-65.30000112.8H231 G237H231-T235 PolarHBondContact CD2-OG1 3Å; H231-T235 PolarHBondContact NE2-OG1 3.2Å; H231-T235 WeakPolarHBondContact O-CB 3.48Å; H231-T235 PolarHBondContact O-N 2.96Å; H231-T235 PolarHBondContact O-OG1 3.19Å; H231-T235 VanDerWaalsContact O-OG1 3.13Å; T235-G237 PolarHBondContact O-N 2.64Å
236R96.6Very high95.3Very high107 Ų10727.8 Ų27.840%0.40415%0.15SC..THydrogen-bonded Turntrans-79.59.7169.774.7-171.1-175.4-165.60.7114.1D232 I233 V234 G238 R353 N354 S391D232-R236 VanDerWaalsContact O-CG 3.31Å; D232-R236 WeakPolarHBondContact O-CG 3.27Å; D232-R236 PolarHBondContact O-N 2.91Å; I233-R236 VanDerWaalsContact O-CG 3.3Å; I233-R236 WeakPolarHBondContact O-CG 3.3Å; V234-R236 VanDerWaalsContact C-N 3.34Å; V234-R236 PolarHBondContact O-N 3.33Å; R236-G238 VanDerWaalsContact C-N 3.34Å; R236-R353 PolarHBondContact NE-O 3.02Å; R236-R353 PolarHBondContact NH2-O 3.3Å; R236-N354 PolarHBondContact NH2-O 3.26Å; R236-S391 PolarHBondContact NH2-OG 2.59Å
237G96.4Very high94.5Very high23 Ų2327.9 Ų27.924%0.23715%0.15CC..THydrogen-bonded Turntrans7521.2178.600000114.1V234 T235 R239V234-G237 WeakPolarHBondContact O-CA 3.44Å; V234-G237 PolarHBondContact O-N 2.61Å; T235-G237 PolarHBondContact O-N 2.64Å; G237-R239 PolarHBondContact O-NH1 3.23Å
238G97.4Very high93.7Very high0 Ų027.4 Ų27.40%015%0.147CC..  trans-91.4166.9179.400000113.9I233 R236 P326 R353I233-G238 VanDerWaalsContact O-CA 3.31Å; I233-G238 WeakPolarHBondContact O-CA 3.28Å; I233-G238 PolarHBondContact O-N 2.9Å; R236-G238 VanDerWaalsContact C-N 3.34Å; G238-P326 VanDerWaalsContact O-CA 3.25Å; G238-P326 WeakPolarHBondContact O-CA 3.24Å; G238-P326 VanDerWaalsContact O-CB 3.31Å; G238-P326 WeakPolarHBondContact O-CB 3.4Å; G238-R353 VanDerWaalsContact CA-O 3.27Å; G238-R353 WeakPolarHBondContact CA-O 3.14Å
239R98Very high93.1Very high33 Ų3325.9 Ų25.913%0.12513%0.132CC..EExtended strand (participates in β ladder)trans-98.5131.5167.9-60.187.9-180123.42.1109.2G237 D323 G325 C327 W348 N354 G355G237-R239 PolarHBondContact O-NH1 3.23Å; R239-D323 IonicContact CZ-OD1 3.82Å; R239-D323 IonicContact NE-OD1 3.31Å; R239-D323 PolarHBondContact NE-OD1 3.2Å; R239-D323 IonicContact NH2-OD1 3.67Å; R239-G325 PolarHBondContact NE-O 2.78Å; R239-G325 PolarHBondContact NH2-O 2.8Å; R239-C327 WeakPolarHBondContact CA-O 3.37Å; R239-W348 HydrophobicContact CB-CD2 3.72Å; R239-W348 HydrophobicContact CB-CE3 3.74Å; R239-W348 HydrophobicContact CB-CG 4.38Å; R239-W348 HydrophobicContact CB-CH2 3.84Å; R239-W348 HydrophobicContact CB-CZ2 3.81Å; R239-W348 HydrophobicContact CB-CZ3 3.81Å; R239-W348 HydrophobicContact CG-CD2 4.31Å; R239-W348 HydrophobicContact CG-CH2 4.38Å; R239-W348 HydrophobicContact CG-CZ2 3.92Å; R239-N354 WeakPolarHBondContact CD-OD1 3.17Å; R239-N354 PolarHBondContact N-OD1 3.33Å; R239-N354 WeakPolarHBondContact O-CA 3.49Å; R239-N354 WeakPolarHBondContact O-CB 3.43Å; R239-G355 PolarHBondContact O-N 2.77Å
240C98.1Very high92.8Very high0 Ų024.2 Ų24.20%012%0.124CC..EExtended strand (participates in β ladder)trans-101111.2177.5-177.50000109.8I233 C327 V328 V329 G355I233-C240 HydrophobicContact CB-CB 4.21Å; I233-C240 HydrophobicContact CD1-CB 4.25Å; I233-C240 HydrophobicContact CG2-CB 3.73Å; C240-C327 PolarHBondContact N-O 2.92Å; C240-V328 HydrophobicContact CB-CB 4.46Å; C240-V328 HydrophobicContact CB-CG1 4.29Å; C240-V328 HydrophobicContact CB-CG2 4.15Å; C240-V328 CarbonylContact O-C 3.44Å; C240-V328 WeakPolarHBondContact O-CA 3.5Å; C240-V329 PolarHBondContact O-N 3.22Å; C240-G355 WeakPolarHBondContact CA-O 3.23Å
241L97.8Very high92.4Very high3 Ų324.2 Ų24.22%0.01612%0.124CC..EExtended strand (participates in β ladder)trans-91.4127.7172.9-176.663.5000110.3A331 M336 S341 L344 F345 W348 G355 V356 I357L241-A331 HydrophobicContact CD1-CB 4.31Å; L241-M336 HydrophobicContact CD2-SD 4.32Å; L241-S341 WeakPolarHBondContact CD2-O 3.5Å; L241-L344 HydrophobicContact CD1-CB 3.95Å; L241-L344 HydrophobicContact CD1-CD1 4Å; L241-L344 HydrophobicContact CD2-CB 4.46Å; L241-F345 HydrophobicContact CD2-CB 3.65Å; L241-F345 HydrophobicContact CD2-CD2 4.39Å; L241-W348 HydrophobicContact CB-CE3 3.86Å; L241-W348 HydrophobicContact CB-CZ3 3.76Å; L241-W348 HydrophobicContact CD1-CZ3 4.07Å; L241-W348 HydrophobicContact CG-CZ3 4.45Å; L241-G355 PolarHBondContact N-O 2.84Å; L241-V356 HydrophobicContact CB-CB 4.36Å; L241-V356 HydrophobicContact CB-CG2 4.25Å; L241-V356 HydrophobicContact CD2-CG2 4.17Å; L241-V356 HydrophobicContact CG-CG2 4.31Å; L241-V356 CarbonylContact O-C 3.57Å; L241-V356 VanDerWaalsContact O-CA 3.3Å; L241-V356 WeakPolarHBondContact O-CA 3.42Å; L241-I357 PolarHBondContact O-N 3.33Å
242I97.3Very high92.1Very high0 Ų022.6 Ų22.60%012%0.117CC..EExtended strand (participates in β ladder)trans-120.291.6173.2-55.8170.4000107.4F226 V230 A244 L253 L257 V328 V329 M330 A331 I357F226-I242 HydrophobicContact CE2-CD1 3.94Å; F226-I242 HydrophobicContact CZ-CD1 3.8Å; V230-I242 HydrophobicContact CG2-CD1 4.35Å; I242-A244 PolarHBondContact O-N 2.76Å; I242-L253 HydrophobicContact CG2-CD1 3.9Å; I242-L257 HydrophobicContact CD1-CD1 4.03Å; I242-V328 HydrophobicContact CD1-CG1 3.67Å; I242-V328 HydrophobicContact CG1-CG1 4.4Å; I242-V329 PolarHBondContact N-O 3.02Å; I242-M330 HydrophobicContact CB-CG 3.97Å; I242-M330 HydrophobicContact CD1-CG 4.16Å; I242-M330 HydrophobicContact CG2-CG 4.32Å; I242-M330 VanDerWaalsContact O-CA 3.32Å; I242-M330 WeakPolarHBondContact O-CA 3.37Å; I242-A331 PolarHBondContact O-N 3.4Å; I242-I357 HydrophobicContact CG1-CB 4.46Å
243P94.4Very high92Very high3 Ų318 Ų182%0.0199%0.092CC..EExtended strand (participates in β ladder)trans-70.1119.4177.630.4-33.9000109.2A331 M336 V356 I357 I358P243-A331 WeakPolarHBondContact CA-O 3.36Å; P243-M336 HydrophobicContact CB-CG 3.61Å; P243-M336 HydrophobicContact CB-SD 3.94Å; P243-M336 HydrophobicContact CG-CE 4.32Å; P243-M336 HydrophobicContact CG-CG 4.08Å; P243-M336 HydrophobicContact CG-SD 3.83Å; P243-V356 HydrophobicContact CG-CG2 4.09Å; P243-I357 WeakPolarHBondContact CD-O 3.48Å; P243-I358 HydrophobicContact CG-CD1 3.39Å
244A89.7Confident91.8Very high13 Ų1318 Ų1811%0.1079%0.092CC..  trans-146.8151.6179.200000110.7I242 A250 A331 S332I242-A244 PolarHBondContact O-N 2.76Å; A244-A250 HydrophobicContact CB-CB 4.15Å; A244-A331 PolarHBondContact N-O 3.38Å; A244-A331 CarbonylContact O-C 3.55Å; A244-A331 VanDerWaalsContact O-O 3.1Å; A244-S332 WeakPolarHBondContact O-CA 3.45Å; A244-S332 WeakPolarHBondContact O-CB 3.32Å
245F81.5Confident91.6Very high66 Ų6618.7 Ų18.729%0.28910%0.095SC..  trans-65150.1169.6-67.2-74.2000110.5L76 L247 A250 P333 M335L76-F245 HydrophobicContact CD1-CE1 4.35Å; F245-L247 PolarHBondContact O-N 2.86Å; F245-A250 WeakPolarHBondContact O-CB 3.33Å; F245-P333 HydrophobicContact CD1-CB 4.43Å; F245-P333 HydrophobicContact CE1-CB 4.05Å; F245-M335 HydrophobicContact CE2-CE 4.42Å; F245-M335 HydrophobicContact CZ-CE 4.44Å; F245-M335 HydrophobicContact CZ-CG 4.49Å
246A78.8Confident91.6Very high1 Ų114.4 Ų14.41%0.0087%0.069CC..SBendtrans-60.4-31.9-177.600000112.3Q251 Y274 S276A246-Q251 PolarHBondContact O-NE2 2.87Å; A246-Y274 VanDerWaalsContact C-OH 3.29Å; A246-Y274 WeakPolarHBondContact CA-OH 3.47Å; A246-Y274 PolarHBondContact O-OH 3.05Å; A246-S276 WeakPolarHBondContact CB-OG 3.38Å
247L79.6Confident91.6Very high2 Ų29.3 Ų9.31%0.015%0.05CC..SBendtrans-121.6144.1-178.2-71.2148000109.4F74 I104 L108 F245 C282 Y286F74-L247 HydrophobicContact CE2-CB 4.02Å; F74-L247 HydrophobicContact CZ-CB 4.39Å; I104-L247 HydrophobicContact CG1-CD2 4.49Å; I104-L247 HydrophobicContact CG2-CB 4.06Å; I104-L247 HydrophobicContact CG2-CD1 3.58Å; I104-L247 HydrophobicContact CG2-CD2 4.09Å; I104-L247 HydrophobicContact CG2-CG 4.1Å; L108-L247 HydrophobicContact CB-CD1 4.29Å; L108-L247 HydrophobicContact CD1-CB 4.29Å; L108-L247 HydrophobicContact CD1-CD1 4.25Å; F245-L247 PolarHBondContact O-N 2.86Å; L247-C282 HydrophobicContact CD1-CB 4.46Å; L247-C282 WeakPolarHBondContact CD1-SG 3.41Å; L247-C282 HydrophobicContact CD2-CB 3.41Å; L247-C282 VanDerWaalsContact CD2-CB 3.41Å; L247-C282 VanDerWaalsContact CD2-SG 3.56Å; L247-C282 HydrophobicContact CG-CB 3.91Å; L247-C282 WeakPolarHBondContact CG-SG 3.44Å; L247-Y286 HydrophobicContact CD2-CD2 4.01Å; L247-Y286 HydrophobicContact CD2-CE2 3.56Å
248G81.6Confident91.6Very high0 Ų09 Ų90%04%0.043CC..SBendtrans113-114179.300000111.8A250 Q251 Y286G248-A250 VanDerWaalsContact C-N 3.31Å; G248-A250 PolarHBondContact O-N 3.32Å; G248-Q251 PolarHBondContact O-N 2.86Å; G248-Q251 PolarHBondContact O-OE1 3.09Å; G248-Y286 WeakPolarHBondContact CA-OH 3.12Å; G248-Y286 PolarHBondContact N-OH 2.86Å; G248-Y286 VanDerWaalsContact N-OH 3.08Å; G248-Y286 PolarHBondContact O-OH 3.17Å
249R85.5Confident91.4Very high25 Ų2512.4 Ų12.49%0.0946%0.059CC..Hα-helixtrans-72.5-21.4-174.4-58.1-64.488.6-149.81.2113.9H162 D189 Q251 E252 L253 F397H162-R249 PolarHBondContact O-NE 3.17Å; H162-R249 PolarHBondContact O-NH2 2.75Å; D189-R249 IonicContact OD2-CZ 3.4Å; D189-R249 IonicContact OD2-NH1 3.97Å; D189-R249 PolarHBondContact OD2-NH1 2.87Å; D189-R249 IonicContact OD2-NH2 3.5Å; R249-Q251 PolarHBondContact O-N 2.85Å; R249-E252 WeakPolarHBondContact O-CB 3.42Å; R249-E252 PolarHBondContact O-N 3.43Å; R249-E252 VanDerWaalsContact O-N 3.11Å; R249-L253 PolarHBondContact O-N 3.3Å; R249-L253 VanDerWaalsContact O-N 3.13Å; R249-F397 WeakPolarHBondContact CD-O 3.42Å; R249-F397 VanDerWaalsContact CG-O 3.23Å; R249-F397 WeakPolarHBondContact CG-O 3.46Å
250A89.4Confident91.4Very high2 Ų212.7 Ų12.72%0.0176%0.06CC..Hα-helixtrans-57.8-35.7175.400000112A244 F245 G248 E252 L253 M254 Y274 M330A244-A250 HydrophobicContact CB-CB 4.15Å; F245-A250 WeakPolarHBondContact O-CB 3.33Å; G248-A250 VanDerWaalsContact C-N 3.31Å; G248-A250 PolarHBondContact O-N 3.32Å; A250-E252 VanDerWaalsContact C-N 3.33Å; A250-E252 PolarHBondContact O-N 3.49Å; A250-L253 PolarHBondContact O-N 2.9Å; A250-M254 WeakPolarHBondContact O-CB 3.22Å; A250-M254 VanDerWaalsContact O-CG 3.28Å; A250-M254 WeakPolarHBondContact O-CG 3.37Å; A250-M254 PolarHBondContact O-N 3.06Å; A250-Y274 HydrophobicContact CB-CE2 4.37Å; A250-M330 HydrophobicContact CB-CE 3.72Å; A250-M330 WeakPolarHBondContact O-CE 3.45Å
251Q90.4Very high91.3Very high0 Ų012.8 Ų12.80%06%0.06CC..Hα-helixtrans-65.5-36.6178.1-74.273.224.600112.5A246 G248 R249 M254 L255 M283 Y286 F307A246-Q251 PolarHBondContact O-NE2 2.87Å; G248-Q251 PolarHBondContact O-N 2.86Å; G248-Q251 PolarHBondContact O-OE1 3.09Å; R249-Q251 PolarHBondContact O-N 2.85Å; Q251-M254 HydrophobicContact CB-CE 4.32Å; Q251-M254 HydrophobicContact CG-CE 3.82Å; Q251-L255 VanDerWaalsContact O-CG 3.31Å; Q251-L255 WeakPolarHBondContact O-CG 3.43Å; Q251-L255 PolarHBondContact O-N 2.84Å; Q251-L255 VanDerWaalsContact O-N 3.11Å; Q251-M283 HydrophobicContact CG-CE 3.63Å; Q251-Y286 HydrophobicContact CB-CD1 4.23Å; Q251-Y286 HydrophobicContact CB-CE1 3.72Å; Q251-Y286 HydrophobicContact CG-CD1 3.82Å; Q251-Y286 HydrophobicContact CG-CD2 4.34Å; Q251-Y286 HydrophobicContact CG-CE1 3.53Å; Q251-Y286 HydrophobicContact CG-CE2 4.08Å; Q251-Y286 HydrophobicContact CG-CG 4.22Å; Q251-Y286 PolarHBondContact OE1-OH 2.95Å; Q251-F307 HydrophobicContact CB-CE1 4.28Å
252E92.4Very high91.2Very high4 Ų415.5 Ų15.52%0.0198%0.075CC..Hα-helixtrans-65.3-47.1173.9-17165-171.600111.3R190 H191 R249 A250 M254 L255 I256R190-E252 VanDerWaalsContact CB-OE1 3.23Å; R190-E252 WeakPolarHBondContact CB-OE1 3.35Å; R190-E252 VanDerWaalsContact CG-OE1 3.27Å; R190-E252 WeakPolarHBondContact CG-OE1 3.16Å; R190-E252 PolarHBondContact N-OE1 3.35Å; R190-E252 PolarHBondContact N-OE2 3.41Å; H191-E252 IonicContact CE1-OE2 3.63Å; H191-E252 PolarHBondContact CE1-OE2 3.37Å; H191-E252 IonicContact CG-OE2 2.87Å; H191-E252 IonicContact ND1-OE2 3.7Å; H191-E252 PolarHBondContact ND1-OE2 3.16Å; R249-E252 WeakPolarHBondContact O-CB 3.42Å; R249-E252 PolarHBondContact O-N 3.43Å; R249-E252 VanDerWaalsContact O-N 3.11Å; A250-E252 VanDerWaalsContact C-N 3.33Å; A250-E252 PolarHBondContact O-N 3.49Å; E252-M254 VanDerWaalsContact C-N 3.32Å; E252-M254 PolarHBondContact O-N 3.1Å; E252-L255 WeakPolarHBondContact O-CB 3.48Å; E252-L255 PolarHBondContact O-N 3.25Å; E252-I256 HydrophobicContact CG-CD1 4.15Å; E252-I256 WeakPolarHBondContact O-CG1 3.35Å; E252-I256 PolarHBondContact O-N 3.19Å
253L94.8Very high91.2Very high1 Ų120.4 Ų20.41%0.00510%0.101CC..Hα-helixtrans-62.1-38.9178.4-62.3174.1000112.1F226 I242 R249 A250 I256 L257 M330 A359 F397F226-L253 HydrophobicContact CE1-CD2 4.11Å; F226-L253 HydrophobicContact CE2-CD2 4.13Å; F226-L253 HydrophobicContact CZ-CB 4.49Å; F226-L253 HydrophobicContact CZ-CD2 3.86Å; I242-L253 HydrophobicContact CG2-CD1 3.9Å; R249-L253 PolarHBondContact O-N 3.3Å; R249-L253 VanDerWaalsContact O-N 3.13Å; A250-L253 PolarHBondContact O-N 2.9Å; L253-I256 PolarHBondContact O-N 2.92Å; L253-L257 WeakPolarHBondContact O-CB 3.29Å; L253-L257 WeakPolarHBondContact O-CG 3.25Å; L253-L257 PolarHBondContact O-N 2.88Å; L253-M330 HydrophobicContact CB-CE 3.82Å; L253-M330 HydrophobicContact CB-SD 4.35Å; L253-M330 HydrophobicContact CD1-CE 4.31Å; L253-A359 HydrophobicContact CD1-CB 3.69Å; L253-A359 HydrophobicContact CD2-CB 4.39Å; L253-F397 HydrophobicContact CD2-CB 4.14Å; L253-F397 HydrophobicContact CD2-CD1 4.1Å; L253-F397 HydrophobicContact CD2-CD2 3.67Å; L253-F397 HydrophobicContact CD2-CE1 4.43Å; L253-F397 HydrophobicContact CD2-CE2 4.02Å; L253-F397 HydrophobicContact CD2-CG 3.7Å; L253-F397 HydrophobicContact CD2-CZ 4.39Å
254M94.4Very high91.3Very high1 Ų122.6 Ų22.61%0.00511%0.111CC..Hα-helixtrans-64.3-40.7175.2-72.5-173.2-62.600111.9A250 Q251 E252 I256 L257 D258 Y274 M283 F309 I312 M330A250-M254 WeakPolarHBondContact O-CB 3.22Å; A250-M254 VanDerWaalsContact O-CG 3.28Å; A250-M254 WeakPolarHBondContact O-CG 3.37Å; A250-M254 PolarHBondContact O-N 3.06Å; Q251-M254 HydrophobicContact CB-CE 4.32Å; Q251-M254 HydrophobicContact CG-CE 3.82Å; E252-M254 VanDerWaalsContact C-N 3.32Å; E252-M254 PolarHBondContact O-N 3.1Å; M254-I256 VanDerWaalsContact C-N 3.34Å; M254-I256 PolarHBondContact O-N 3.16Å; M254-L257 PolarHBondContact O-N 2.76Å; M254-D258 VanDerWaalsContact O-CB 3.29Å; M254-D258 WeakPolarHBondContact O-CB 3.3Å; M254-D258 PolarHBondContact O-N 2.86Å; M254-Y274 HydrophobicContact CE-CE1 4.46Å; M254-Y274 HydrophobicContact SD-CD1 3.84Å; M254-Y274 HydrophobicContact SD-CD2 3.95Å; M254-Y274 HydrophobicContact SD-CE1 4.31Å; M254-Y274 HydrophobicContact SD-CE2 4.44Å; M254-Y274 HydrophobicContact SD-CG 3.65Å; M254-M283 HydrophobicContact CE-CE 3.88Å; M254-M283 HydrophobicContact CE-SD 4.2Å; M254-F309 HydrophobicContact CB-CD1 4.35Å; M254-F309 HydrophobicContact CB-CE1 3.67Å; M254-F309 HydrophobicContact CB-CE2 3.93Å; M254-F309 HydrophobicContact CB-CZ 3.43Å; M254-F309 VanDerWaalsContact CB-CZ 3.43Å; M254-F309 HydrophobicContact CE-CE2 3.72Å; M254-F309 HydrophobicContact CE-CZ 3.94Å; M254-F309 HydrophobicContact CG-CE2 4.43Å; M254-F309 HydrophobicContact CG-CZ 4.37Å; M254-F309 HydrophobicContact SD-CD2 4.28Å; M254-F309 HydrophobicContact SD-CE2 3.73Å; M254-F309 HydrophobicContact SD-CZ 4.19Å; M254-I312 HydrophobicContact CB-CD1 3.59Å; M254-I312 HydrophobicContact CG-CD1 3.81Å; M254-I312 WeakPolarHBondContact O-CD1 3.45Å; M254-I312 HydrophobicContact SD-CG2 4.43Å; M254-M330 HydrophobicContact CG-CE 3.8Å; M254-M330 HydrophobicContact CG-SD 3.64Å
255L94Very high91.7Very high16 Ų1626 Ų268%0.08413%0.132CC..Hα-helixtrans-63-40.3175.3-71.1167.8000112R190 H191 Q251 E252 E259 P306 F307 F309R190-L255 HydrophobicContact CB-CD1 4.21Å; H191-L255 HydrophobicContact CB-CD1 3.81Å; Q251-L255 VanDerWaalsContact O-CG 3.31Å; Q251-L255 WeakPolarHBondContact O-CG 3.43Å; Q251-L255 PolarHBondContact O-N 2.84Å; Q251-L255 VanDerWaalsContact O-N 3.11Å; E252-L255 WeakPolarHBondContact O-CB 3.48Å; E252-L255 PolarHBondContact O-N 3.25Å; L255-E259 WeakPolarHBondContact O-CB 3.35Å; L255-E259 PolarHBondContact O-N 3.04Å; L255-P306 HydrophobicContact CD2-CB 3.79Å; L255-P306 WeakPolarHBondContact CD2-O 3.31Å; L255-F307 HydrophobicContact CD1-CE1 4.1Å; L255-F307 HydrophobicContact CD1-CZ 4.39Å; L255-F307 HydrophobicContact CG-CE1 4.49Å; L255-F309 HydrophobicContact CD2-CE1 3.94Å; L255-F309 HydrophobicContact CG-CE1 4.22Å
256I95.7Very high92.3Very high3 Ų328.4 Ų28.42%0.01514%0.144CC..Hα-helixtrans-65.5-47.7177-63.9160.5000110.5E223 F226 T227 E252 L253 M254 Y260 F397E223-I256 HydrophobicContact CG-CD1 3.89Å; E223-I256 HydrophobicContact CG-CG1 4.18Å; F226-I256 HydrophobicContact CD1-CG2 3.87Å; F226-I256 HydrophobicContact CE1-CB 4.47Å; F226-I256 HydrophobicContact CE1-CG2 4.08Å; T227-I256 HydrophobicContact CG2-CG2 3.63Å; E252-I256 HydrophobicContact CG-CD1 4.15Å; E252-I256 WeakPolarHBondContact O-CG1 3.35Å; E252-I256 PolarHBondContact O-N 3.19Å; L253-I256 PolarHBondContact O-N 2.92Å; M254-I256 VanDerWaalsContact C-N 3.34Å; M254-I256 PolarHBondContact O-N 3.16Å; I256-Y260 VanDerWaalsContact O-CB 3.29Å; I256-Y260 WeakPolarHBondContact O-CB 3.27Å; I256-Y260 PolarHBondContact O-N 3.3Å; I256-F397 HydrophobicContact CD1-CD1 4.17Å; I256-F397 HydrophobicContact CD1-CE1 3.55Å; I256-F397 HydrophobicContact CD1-CZ 4.14Å
257L97Very high93.2Very high0 Ų028.5 Ų28.50%015%0.145CC..Hα-helixtrans-67.1-42.7-178.5-72.5174000112.6F226 V230 I242 L253 M254 Y260 W261 I272 I312 V328 M330F226-L257 HydrophobicContact CE1-CD2 3.8Å; F226-L257 HydrophobicContact CE1-CG 3.88Å; F226-L257 HydrophobicContact CZ-CD1 4.26Å; F226-L257 HydrophobicContact CZ-CD2 4.06Å; F226-L257 HydrophobicContact CZ-CG 4.11Å; V230-L257 HydrophobicContact CB-CD2 4.48Å; V230-L257 HydrophobicContact CG1-CD2 4.04Å; V230-L257 HydrophobicContact CG2-CD2 4.25Å; I242-L257 HydrophobicContact CD1-CD1 4.03Å; L253-L257 WeakPolarHBondContact O-CB 3.29Å; L253-L257 WeakPolarHBondContact O-CG 3.25Å; L253-L257 PolarHBondContact O-N 2.88Å; M254-L257 PolarHBondContact O-N 2.76Å; L257-Y260 PolarHBondContact O-N 3.07Å; L257-W261 HydrophobicContact CD2-CE3 4.41Å; L257-W261 HydrophobicContact CD2-CZ3 3.86Å; L257-W261 WeakPolarHBondContact O-CB 3.43Å; L257-W261 PolarHBondContact O-N 2.9Å; L257-I272 HydrophobicContact CB-CD1 4.05Å; L257-I272 HydrophobicContact CD1-CG2 4.31Å; L257-I312 HydrophobicContact CB-CD1 4.47Å; L257-V328 HydrophobicContact CD1-CG1 4.27Å; L257-M330 HydrophobicContact CD1-SD 3.97Å
258D95.5Very high94Very high15 Ų1532.6 Ų32.68%0.0816%0.164CC..Hα-helixtrans-65.6-40.6179.9-164.567.6000111.4M254 D262 F309 R310 H311 I312M254-D258 VanDerWaalsContact O-CB 3.29Å; M254-D258 WeakPolarHBondContact O-CB 3.3Å; M254-D258 PolarHBondContact O-N 2.86Å; D258-D262 WeakPolarHBondContact O-CB 3.27Å; D258-D262 PolarHBondContact O-N 2.98Å; D258-D262 VanDerWaalsContact O-N 3.08Å; D258-F309 HydrophobicContact CB-CD1 3.78Å; D258-R310 PolarHBondContact OD1-N 3.19Å; D258-R310 PolarHBondContact OD2-N 3.35Å; D258-H311 IonicContact OD1-CD2 3.64Å; D258-H311 IonicContact OD1-CG 3.74Å; D258-H311 PolarHBondContact OD1-N 3.48Å; D258-I312 HydrophobicContact CB-CD1 4.14Å; D258-I312 HydrophobicContact CB-CG1 4.46Å
259E94.4Very high94.5Very high73 Ų7340.2 Ų40.234%0.34120%0.204SC..Hα-helixtrans-67.6-38.3173.2-174177108.900111.9R190 L255 N263 R296R190-E259 IonicContact CZ-OE1 3.5Å; R190-E259 IonicContact CZ-OE2 2.72Å; R190-E259 IonicContact NH1-OE1 3.76Å; R190-E259 PolarHBondContact NH1-OE1 3.3Å; R190-E259 IonicContact NH1-OE2 3.77Å; R190-E259 PolarHBondContact NH1-OE2 3.18Å; R190-E259 IonicContact NH2-OE1 4Å; R190-E259 PolarHBondContact NH2-OE1 2.95Å; R190-E259 IonicContact NH2-OE2 3.55Å; L255-E259 WeakPolarHBondContact O-CB 3.35Å; L255-E259 PolarHBondContact O-N 3.04Å; E259-N263 PolarHBondContact O-N 3.47Å; E259-N263 PolarHBondContact O-ND2 3.42Å; E259-R296 IonicContact OE2-NH2 3.49Å; E259-R296 PolarHBondContact OE2-NH2 3.23Å
260Y97.1Very high95.1Very high38 Ų3840.1 Ų40.115%0.14921%0.205CC..Hα-helixtrans-66-44.7177.3-170.1-99.8000111.5T227 H231 I256 L257 N263 H264 L267T227-Y260 VanDerWaalsContact CB-CD2 3.41Å; T227-Y260 VanDerWaalsContact CB-CE2 3.49Å; T227-Y260 HydrophobicContact CG2-CD1 4.31Å; T227-Y260 HydrophobicContact CG2-CD2 3.56Å; T227-Y260 HydrophobicContact CG2-CE2 4.17Å; T227-Y260 HydrophobicContact CG2-CG 3.64Å; H231-Y260 HydrophobicContact CB-CE1 4.28Å; H231-Y260 AromaticContact ND1-CE1 3.85Å; H231-Y260 AromaticContact ND1-CZ 3.86Å; H231-Y260 PolarHBondContact ND1-OH 2.75Å; I256-Y260 VanDerWaalsContact O-CB 3.29Å; I256-Y260 WeakPolarHBondContact O-CB 3.27Å; I256-Y260 PolarHBondContact O-N 3.3Å; L257-Y260 PolarHBondContact O-N 3.07Å; Y260-N263 PolarHBondContact O-N 3.09Å; Y260-H264 AromaticContact CD1-ND1 3.96Å; Y260-H264 AromaticContact CD2-CE1 3.55Å; Y260-H264 AromaticContact CD2-ND1 3.79Å; Y260-H264 AromaticContact CE1-ND1 3.86Å; Y260-H264 AromaticContact CE2-CE1 3.14Å; Y260-H264 WeakPolarHBondContact CE2-CE1 3.45Å; Y260-H264 AromaticContact CE2-ND1 3.68Å; Y260-H264 AromaticContact CE2-NE2 3.7Å; Y260-H264 AromaticContact CG-ND1 3.93Å; Y260-H264 AromaticContact CZ-CE1 3.43Å; Y260-H264 VanDerWaalsContact CZ-CE1 3.43Å; Y260-H264 AromaticContact CZ-ND1 3.71Å; Y260-H264 AromaticContact CZ-NE2 3.65Å; Y260-H264 PolarHBondContact O-N 2.88Å; Y260-H264 PolarHBondContact O-ND1 2.74Å; Y260-L267 HydrophobicContact CD1-CD1 4.11Å; Y260-L267 HydrophobicContact CE1-CD1 3.71Å
261W97Very high95.3Very high2 Ų242 Ų421%0.00822%0.218CC..Hα-helixtrans-62.4-43.3177-106.4-113.1000112.4V230 L257 N263 H264 L267 H268 I270 I272 H311 V328V230-W261 HydrophobicContact CG1-CH2 3.72Å; V230-W261 HydrophobicContact CG1-CZ3 3.9Å; L257-W261 HydrophobicContact CD2-CE3 4.41Å; L257-W261 HydrophobicContact CD2-CZ3 3.86Å; L257-W261 WeakPolarHBondContact O-CB 3.43Å; L257-W261 PolarHBondContact O-N 2.9Å; W261-N263 PolarHBondContact O-N 3.28Å; W261-H264 CarbonylContact O-C 3.35Å; W261-H264 PolarHBondContact O-N 3.39Å; W261-L267 HydrophobicContact CD2-CB 4.24Å; W261-L267 HydrophobicContact CD2-CD1 4.33Å; W261-L267 HydrophobicContact CE3-CD1 4.28Å; W261-L267 HydrophobicContact CG-CB 4.43Å; W261-L267 HydrophobicContact CH2-CD1 4.31Å; W261-L267 HydrophobicContact CZ2-CB 4.26Å; W261-L267 HydrophobicContact CZ2-CD1 4.37Å; W261-L267 HydrophobicContact CZ3-CD1 4.27Å; W261-L267 PolarHBondContact NE1-O 3.07Å; W261-H268 PolarHBondContact O-CD2 2.87Å; W261-H268 PolarHBondContact O-NE2 3.41Å; W261-H268 VanDerWaalsContact O-NE2 3.14Å; W261-I270 HydrophobicContact CZ2-CB 4.46Å; W261-I270 HydrophobicContact CZ2-CG2 4.3Å; W261-I270 PolarHBondContact NE1-O 3.16Å; W261-I272 HydrophobicContact CB-CD1 4.4Å; W261-I272 HydrophobicContact CD2-CD1 3.3Å; W261-I272 HydrophobicContact CD2-CG1 4.03Å; W261-I272 HydrophobicContact CE3-CD1 3.54Å; W261-I272 HydrophobicContact CE3-CG1 4.37Å; W261-I272 HydrophobicContact CG-CD1 3.7Å; W261-I272 HydrophobicContact CH2-CD1 4.18Å; W261-I272 HydrophobicContact CH2-CG1 4.15Å; W261-I272 HydrophobicContact CZ2-CD1 3.97Å; W261-I272 HydrophobicContact CZ2-CG1 3.76Å; W261-I272 HydrophobicContact CZ3-CD1 3.97Å; W261-I272 HydrophobicContact CZ3-CG1 4.43Å; W261-H311 HydrophobicContact CB-CB 3.77Å; W261-H311 HydrophobicContact CG-CB 4.08Å; W261-V328 HydrophobicContact CH2-CG2 3.67Å; W261-V328 HydrophobicContact CZ2-CG2 4.09Å
262D94.9Very high95.6Very high60 Ų6042.1 Ų42.132%0.32122%0.218SC..Hα-helixtrans-59.7-29.4178.2-17059.5000112.7D258 R310 H311D258-D262 WeakPolarHBondContact O-CB 3.27Å; D258-D262 PolarHBondContact O-N 2.98Å; D258-D262 VanDerWaalsContact O-N 3.08Å; D262-R310 VanDerWaalsContact CG-CZ 3.41Å; D262-R310 IonicContact OD1-CZ 3.08Å; D262-R310 IonicContact OD1-NH1 2.73Å; D262-R310 PolarHBondContact OD1-NH1 2.8Å; D262-R310 IonicContact OD1-NH2 3.12Å; D262-R310 PolarHBondContact OD1-NH2 2.66Å; D262-R310 VanDerWaalsContact OD1-NH2 3.12Å; D262-R310 IonicContact OD2-CZ 3.44Å; D262-R310 IonicContact OD2-NH1 3.4Å; D262-R310 PolarHBondContact OD2-NH1 3.28Å; D262-R310 IonicContact OD2-NH2 2.71Å; D262-R310 PolarHBondContact OD2-NH2 3.33Å; D262-H311 IonicContact OD1-NE2 3.14Å
263N96.7Very high95.7Very high104 Ų10444.4 Ų44.456%0.55623%0.227SC*.Hα-helixtrans-87.5-8.9178.1-71.4-53.2000114.4E259 Y260 W261E259-N263 PolarHBondContact O-N 3.47Å; E259-N263 PolarHBondContact O-ND2 3.42Å; Y260-N263 PolarHBondContact O-N 3.09Å; W261-N263 PolarHBondContact O-N 3.28Å
264H97.6Very high95.5Very high48 Ų4844.7 Ų44.722%0.22223%0.228CC..  trans-128.580.5-175.4-64.681.9000110.7Y260 W261 E266 L267Y260-H264 AromaticContact CD1-ND1 3.96Å; Y260-H264 AromaticContact CD2-CE1 3.55Å; Y260-H264 AromaticContact CD2-ND1 3.79Å; Y260-H264 AromaticContact CE1-ND1 3.86Å; Y260-H264 AromaticContact CE2-CE1 3.14Å; Y260-H264 WeakPolarHBondContact CE2-CE1 3.45Å; Y260-H264 AromaticContact CE2-ND1 3.68Å; Y260-H264 AromaticContact CE2-NE2 3.7Å; Y260-H264 AromaticContact CG-ND1 3.93Å; Y260-H264 AromaticContact CZ-CE1 3.43Å; Y260-H264 VanDerWaalsContact CZ-CE1 3.43Å; Y260-H264 AromaticContact CZ-ND1 3.71Å; Y260-H264 AromaticContact CZ-NE2 3.65Å; Y260-H264 PolarHBondContact O-N 2.88Å; Y260-H264 PolarHBondContact O-ND1 2.74Å; W261-H264 CarbonylContact O-C 3.35Å; W261-H264 PolarHBondContact O-N 3.39Å; H264-E266 VanDerWaalsContact C-OE2 3.25Å; H264-E266 WeakPolarHBondContact CA-OE2 3.33Å; H264-E266 WeakPolarHBondContact CB-OE1 3.48Å; H264-E266 IonicContact CD2-OE1 3.46Å; H264-E266 PolarHBondContact CD2-OE1 2.83Å; H264-E266 VanDerWaalsContact CD2-OE1 3.31Å; H264-E266 IonicContact CG-OE1 3.51Å; H264-E266 PolarHBondContact O-N 2.8Å; H264-L267 HydrophobicContact CB-CD1 3.89Å; H264-L267 HydrophobicContact CB-CG 4.08Å; H264-L267 WeakPolarHBondContact O-CB 3.3Å; H264-L267 PolarHBondContact O-N 2.85Å
265P96.5Very high95.2Very high85 Ų8544.7 Ų44.755%0.55223%0.229SC*.G310 helixtrans-55.7-26.7-177.2-27.236.1000115L267 H268P265-L267 PolarHBondContact O-N 3.11Å; P265-H268 WeakPolarHBondContact O-CB 3.36Å; P265-H268 PolarHBondContact O-N 3.47Å
266E96.1Very high94.5Very high117 Ų11744.4 Ų44.455%0.54723%0.228SC..G310 helixtrans-64.3-18.2175.569.7-81.5-168.100113.9H231 H264H231-E266 IonicContact CE1-OE1 3.49Å; H264-E266 VanDerWaalsContact C-OE2 3.25Å; H264-E266 WeakPolarHBondContact CA-OE2 3.33Å; H264-E266 WeakPolarHBondContact CB-OE1 3.48Å; H264-E266 IonicContact CD2-OE1 3.46Å; H264-E266 PolarHBondContact CD2-OE1 2.83Å; H264-E266 VanDerWaalsContact CD2-OE1 3.31Å; H264-E266 IonicContact CG-OE1 3.51Å; H264-E266 PolarHBondContact O-N 2.8Å
267L96.7Very high93.4Very high3 Ų350 Ų502%0.01625%0.254CS..G310 helixtrans-94.5-5.6177.2-59.3-179.6000113.1V234 Y260 W261 H264 P265 D269 I270V234-L267 HydrophobicContact CG2-CD2 4.05Å; Y260-L267 HydrophobicContact CD1-CD1 4.11Å; Y260-L267 HydrophobicContact CE1-CD1 3.71Å; W261-L267 HydrophobicContact CD2-CB 4.24Å; W261-L267 HydrophobicContact CD2-CD1 4.33Å; W261-L267 HydrophobicContact CE3-CD1 4.28Å; W261-L267 HydrophobicContact CG-CB 4.43Å; W261-L267 HydrophobicContact CH2-CD1 4.31Å; W261-L267 HydrophobicContact CZ2-CB 4.26Å; W261-L267 HydrophobicContact CZ2-CD1 4.37Å; W261-L267 HydrophobicContact CZ3-CD1 4.27Å; W261-L267 PolarHBondContact NE1-O 3.07Å; H264-L267 HydrophobicContact CB-CD1 3.89Å; H264-L267 HydrophobicContact CB-CG 4.08Å; H264-L267 WeakPolarHBondContact O-CB 3.3Å; H264-L267 PolarHBondContact O-N 2.85Å; P265-L267 PolarHBondContact O-N 3.11Å; L267-D269 PolarHBondContact O-N 2.81Å; L267-D269 VanDerWaalsContact O-N 3.12Å; L267-I270 HydrophobicContact CD2-CD1 4.05Å; L267-I270 WeakPolarHBondContact O-CB 3.31Å; L267-I270 PolarHBondContact O-N 3.43Å
268H95.7Very high92.5Very high88 Ų8850.6 Ų50.641%0.40726%0.257SS..THydrogen-bonded Turntrans-61.1-25.4-173.6-74-175.3000114.3W261 P265 I270 H311W261-H268 PolarHBondContact O-CD2 2.87Å; W261-H268 PolarHBondContact O-NE2 3.41Å; W261-H268 VanDerWaalsContact O-NE2 3.14Å; P265-H268 WeakPolarHBondContact O-CB 3.36Å; P265-H268 PolarHBondContact O-N 3.47Å; H268-I270 VanDerWaalsContact C-N 3.3Å; H268-H311 AromaticContact CD2-CE1 3.81Å; H268-H311 AromaticContact NE2-CE1 3.54Å
269D93.8Very high91.4Very high159 Ų15950 Ų5085%0.8525%0.254SS*.THydrogen-bonded Turntrans-81-10.6176.1-66.8-28000112.8L267L267-D269 PolarHBondContact O-N 2.81Å; L267-D269 VanDerWaalsContact O-N 3.12Å
270I96Very high90.7Very high23 Ų2356.1 Ų56.112%0.11827%0.274CS..SBendtrans-96.7114.2-179.4-55.5-174.9000108.8V234 W261 L267 H268 P326V234-I270 HydrophobicContact CB-CD1 3.86Å; V234-I270 HydrophobicContact CB-CG2 4Å; V234-I270 HydrophobicContact CG1-CG2 3.99Å; V234-I270 HydrophobicContact CG2-CD1 3.85Å; W261-I270 HydrophobicContact CZ2-CB 4.46Å; W261-I270 HydrophobicContact CZ2-CG2 4.3Å; W261-I270 PolarHBondContact NE1-O 3.16Å; L267-I270 HydrophobicContact CD2-CD1 4.05Å; L267-I270 WeakPolarHBondContact O-CB 3.31Å; L267-I270 PolarHBondContact O-N 3.43Å; H268-I270 VanDerWaalsContact C-N 3.3Å; I270-P326 HydrophobicContact CD1-CG 4.11Å; I270-P326 HydrophobicContact CG1-CG 4.24Å; I270-P326 HydrophobicContact CG2-CB 4.35Å; I270-P326 HydrophobicContact CG2-CG 4.48Å
271P95.4Very high90Very high43 Ų4359.3 Ų59.328%0.27929%0.289SS..  trans-77142.6-174.230.5-35.9000112.7Y273 C327 V328P271-Y273 HydrophobicContact CB-CD2 4.28Å; P271-Y273 HydrophobicContact CB-CE1 4.34Å; P271-Y273 HydrophobicContact CB-CE2 3.52Å; P271-Y273 HydrophobicContact CG-CD2 4.43Å; P271-Y273 HydrophobicContact CG-CE2 3.47Å; P271-Y273 VanDerWaalsContact CG-CE2 3.47Å; P271-C327 HydrophobicContact CG-CB 3.98Å; P271-V328 PolarHBondContact O-N 3.21Å
272I96.1Very high89.1Confident1 Ų159.2 Ų59.21%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-105.1124.5165.4-54.9163000108.7L257 W261 H311 I312 S313 V328L257-I272 HydrophobicContact CB-CD1 4.05Å; L257-I272 HydrophobicContact CD1-CG2 4.31Å; W261-I272 HydrophobicContact CB-CD1 4.4Å; W261-I272 HydrophobicContact CD2-CD1 3.3Å; W261-I272 HydrophobicContact CD2-CG1 4.03Å; W261-I272 HydrophobicContact CE3-CD1 3.54Å; W261-I272 HydrophobicContact CE3-CG1 4.37Å; W261-I272 HydrophobicContact CG-CD1 3.7Å; W261-I272 HydrophobicContact CH2-CD1 4.18Å; W261-I272 HydrophobicContact CH2-CG1 4.15Å; W261-I272 HydrophobicContact CZ2-CD1 3.97Å; W261-I272 HydrophobicContact CZ2-CG1 3.76Å; W261-I272 HydrophobicContact CZ3-CD1 3.97Å; W261-I272 HydrophobicContact CZ3-CG1 4.43Å; I272-H311 HydrophobicContact CD1-CB 4.48Å; I272-I312 HydrophobicContact CB-CG1 4.1Å; I272-I312 HydrophobicContact CD1-CG1 4.2Å; I272-I312 HydrophobicContact CG2-CB 4.47Å; I272-I312 HydrophobicContact CG2-CD1 4.39Å; I272-I312 HydrophobicContact CG2-CG1 3.91Å; I272-I312 HydrophobicContact CG2-CG2 4.21Å; I272-I312 WeakPolarHBondContact O-CA 3.43Å; I272-S313 PolarHBondContact O-N 2.8Å; I272-V328 CarbonylContact C-O 3.59Å; I272-V328 WeakPolarHBondContact CA-O 3.47Å; I272-V328 HydrophobicContact CB-CB 4.48Å; I272-V328 HydrophobicContact CG1-CB 4.17Å; I272-V328 HydrophobicContact CG1-CG2 4.41Å; I272-V328 HydrophobicContact CG2-CB 4.22Å; I272-V328 HydrophobicContact CG2-CG1 4.36Å
273Y94.2Very high88.4Confident53 Ų5357.2 Ų57.221%0.20828%0.277CS..EExtended strand (participates in β ladder)trans-111.1129.8176.5-59.4-77000111.5P271 S313 L315 F321 C327 V328 V329 M330P271-Y273 HydrophobicContact CB-CD2 4.28Å; P271-Y273 HydrophobicContact CB-CE1 4.34Å; P271-Y273 HydrophobicContact CB-CE2 3.52Å; P271-Y273 HydrophobicContact CG-CD2 4.43Å; P271-Y273 HydrophobicContact CG-CE2 3.47Å; P271-Y273 VanDerWaalsContact CG-CE2 3.47Å; Y273-S313 CarbonylContact C-O 3.34Å; Y273-S313 VanDerWaalsContact CA-O 3.3Å; Y273-S313 WeakPolarHBondContact CA-O 3.27Å; Y273-L315 HydrophobicContact CD1-CB 4.26Å; Y273-L315 HydrophobicContact CG-CB 4.46Å; Y273-F321 HydrophobicContact CD2-CD2 4.23Å; Y273-F321 AromaticContact CD2-CE2 3.73Å; Y273-F321 HydrophobicContact CD2-CE2 3.73Å; Y273-F321 HydrophobicContact CE2-CD2 4.12Å; Y273-F321 AromaticContact CE2-CE2 3.61Å; Y273-F321 HydrophobicContact CE2-CE2 3.61Å; Y273-C327 HydrophobicContact CD2-CB 4.38Å; Y273-C327 HydrophobicContact CE2-CB 4.21Å; Y273-V328 PolarHBondContact N-O 2.84Å; Y273-V329 HydrophobicContact CD2-CG2 4Å; Y273-V329 WeakPolarHBondContact O-CA 3.39Å; Y273-M330 PolarHBondContact O-N 2.79Å
274Y91.4Very high87.9Confident6 Ų654.6 Ų54.62%0.02427%0.27CS..EExtended strand (participates in β ladder)trans-100.8105165.4174.1-125.3000109.2A246 A250 M254 S276 A279 S313 N314 L315 M330A246-Y274 VanDerWaalsContact C-OH 3.29Å; A246-Y274 WeakPolarHBondContact CA-OH 3.47Å; A246-Y274 PolarHBondContact O-OH 3.05Å; A250-Y274 HydrophobicContact CB-CE2 4.37Å; M254-Y274 HydrophobicContact CE-CE1 4.46Å; M254-Y274 HydrophobicContact SD-CD1 3.84Å; M254-Y274 HydrophobicContact SD-CD2 3.95Å; M254-Y274 HydrophobicContact SD-CE1 4.31Å; M254-Y274 HydrophobicContact SD-CE2 4.44Å; M254-Y274 HydrophobicContact SD-CG 3.65Å; Y274-S276 PolarHBondContact O-N 3.41Å; Y274-A279 HydrophobicContact CD1-CB 3.52Å; Y274-A279 HydrophobicContact CE1-CB 3.22Å; Y274-S313 PolarHBondContact N-O 2.8Å; Y274-N314 WeakPolarHBondContact O-CA 3.32Å; Y274-L315 PolarHBondContact O-N 3.42Å; Y274-M330 HydrophobicContact CD2-CB 4.14Å
275A87.3Confident87.3Confident2 Ų252.9 Ų52.92%0.01726%0.263CS..EExtended strand (participates in β ladder)trans-97.785-167.600000111.2L315 V329 M330 A331 L340A275-L315 WeakPolarHBondContact CA-O 3.26Å; A275-L315 HydrophobicContact CB-CB 3.96Å; A275-L315 HydrophobicContact CB-CD2 3.95Å; A275-L315 HydrophobicContact CB-CG 4.3Å; A275-V329 HydrophobicContact CB-CG1 3.89Å; A275-M330 WeakPolarHBondContact CB-O 3.36Å; A275-M330 PolarHBondContact N-O 2.86Å; A275-A331 HydrophobicContact CB-CB 4.16Å; A275-L340 HydrophobicContact CB-CD2 3.5Å; A275-L340 VanDerWaalsContact CB-CD2 3.5Å
276S78.8Confident86.8Confident9 Ų948.9 Ų48.96%0.06324%0.236CC..  trans-148.2129.4175.9172.30000111.3A246 Y274 L278 A279 L315A246-S276 WeakPolarHBondContact CB-OG 3.38Å; Y274-S276 PolarHBondContact O-N 3.41Å; S276-L278 PolarHBondContact O-N 3.11Å; S276-L278 VanDerWaalsContact O-N 3.15Å; S276-L278 PolarHBondContact OG-N 3.5Å; S276-L278 VanDerWaalsContact OG-N 3.13Å; S276-A279 WeakPolarHBondContact O-CB 3.5Å; S276-A279 PolarHBondContact O-N 3.23Å; S276-A279 VanDerWaalsContact O-N 3.07Å; S276-A279 PolarHBondContact OG-N 2.71Å; S276-L315 PolarHBondContact N-O 3.03Å
277Q73.8Confident86.3Confident122 Ų12246.5 Ų46.557%0.5723%0.225SC*.THydrogen-bonded Turntrans-63.2-20.3172.8-63.4-174.7500112.6R114 K316R114-Q277 VanDerWaalsContact CZ-OE1 3.27Å; Q277-K316 WeakPolarHBondContact CG-O 3.31Å
278L76.9Confident85.9Confident11 Ų1151 Ų516%0.05825%0.253CS..THydrogen-bonded Turntrans-96-4.5179.1-66.4166.3000112.6Y107 D111 S276 R280 K281 C282Y107-L278 HydrophobicContact CD1-CD2 4.35Å; Y107-L278 WeakPolarHBondContact O-CD1 3.48Å; D111-L278 HydrophobicContact CB-CD1 3.35Å; S276-L278 PolarHBondContact O-N 3.11Å; S276-L278 VanDerWaalsContact O-N 3.15Å; S276-L278 PolarHBondContact OG-N 3.5Å; S276-L278 VanDerWaalsContact OG-N 3.13Å; L278-R280 VanDerWaalsContact C-N 3.32Å; L278-R280 PolarHBondContact O-N 2.75Å; L278-R280 VanDerWaalsContact O-N 3.15Å; L278-K281 HydrophobicContact CD2-CD 4.31Å; L278-K281 PolarHBondContact O-N 2.74Å; L278-C282 WeakPolarHBondContact O-CB 3.36Å; L278-C282 PolarHBondContact O-N 2.9Å; L278-C282 PolarHBondContact O-SG 3.2Å
279A73.3Confident85.6Confident2 Ų249.9 Ų49.92%0.01725%0.246CC..Hα-helixtrans-43.9-54.1-174.900000113.3Y274 S276 K281 C282 M283Y274-A279 HydrophobicContact CD1-CB 3.52Å; Y274-A279 HydrophobicContact CE1-CB 3.22Å; S276-A279 WeakPolarHBondContact O-CB 3.5Å; S276-A279 PolarHBondContact O-N 3.23Å; S276-A279 VanDerWaalsContact O-N 3.07Å; S276-A279 PolarHBondContact OG-N 2.71Å; A279-K281 PolarHBondContact O-N 2.69Å; A279-C282 WeakPolarHBondContact O-CB 3.33Å; A279-C282 PolarHBondContact O-N 2.78Å; A279-M283 WeakPolarHBondContact O-CG 3.11Å; A279-M283 PolarHBondContact O-N 3.48Å
280R79.6Confident85.3Confident203 Ų20342.7 Ų42.777%0.76621%0.207SC*.Hα-helixtrans-61.3-40.5-179.1-171.5178.167.1147.40.9113.2L278 A284L278-R280 VanDerWaalsContact C-N 3.32Å; L278-R280 PolarHBondContact O-N 2.75Å; L278-R280 VanDerWaalsContact O-N 3.15Å; R280-A284 PolarHBondContact O-N 2.92Å
281K82.2Confident84.7Confident105 Ų10550.6 Ų50.646%0.45724%0.237SC..Hα-helixtrans-71.8-39.7179-66.9-177.7177.1179.80110.7Y107 L278 A279 A284 V285Y107-K281 HydrophobicContact CD1-CB 4.4Å; Y107-K281 HydrophobicContact CD1-CD 3.95Å; Y107-K281 HydrophobicContact CE1-CB 4.31Å; Y107-K281 HydrophobicContact CE1-CD 3.6Å; Y107-K281 HydrophobicContact CE1-CG 4.47Å; L278-K281 HydrophobicContact CD2-CD 4.31Å; L278-K281 PolarHBondContact O-N 2.74Å; A279-K281 PolarHBondContact O-N 2.69Å; K281-A284 PolarHBondContact O-N 3.26Å; K281-V285 WeakPolarHBondContact O-CG2 3.36Å; K281-V285 PolarHBondContact O-N 3.23Å
282C77.4Confident84.2Confident0 Ų049.6 Ų49.60%023%0.233CC..Hα-helixtrans-59.7-47.2176.5-64.20000111.2L247 L278 A279 A284 V285 Y286L247-C282 HydrophobicContact CD1-CB 4.46Å; L247-C282 WeakPolarHBondContact CD1-SG 3.41Å; L247-C282 HydrophobicContact CD2-CB 3.41Å; L247-C282 VanDerWaalsContact CD2-CB 3.41Å; L247-C282 VanDerWaalsContact CD2-SG 3.56Å; L247-C282 HydrophobicContact CG-CB 3.91Å; L247-C282 WeakPolarHBondContact CG-SG 3.44Å; L278-C282 WeakPolarHBondContact O-CB 3.36Å; L278-C282 PolarHBondContact O-N 2.9Å; L278-C282 PolarHBondContact O-SG 3.2Å; A279-C282 WeakPolarHBondContact O-CB 3.33Å; A279-C282 PolarHBondContact O-N 2.78Å; C282-A284 VanDerWaalsContact C-N 3.35Å; C282-A284 PolarHBondContact O-N 3.49Å; C282-V285 PolarHBondContact O-N 3.26Å; C282-Y286 WeakPolarHBondContact O-CD2 2.85Å; C282-Y286 PolarHBondContact O-N 2.81Å
283M81.3Confident83.9Confident18 Ų1849.6 Ų49.69%0.08923%0.232CC..Hα-helixtrans-63.5-40.4178.9-69.4-55.295.300112Q251 M254 A279 V285 Y286 Q287 F307 F309Q251-M283 HydrophobicContact CG-CE 3.63Å; M254-M283 HydrophobicContact CE-CE 3.88Å; M254-M283 HydrophobicContact CE-SD 4.2Å; A279-M283 WeakPolarHBondContact O-CG 3.11Å; A279-M283 PolarHBondContact O-N 3.48Å; M283-V285 VanDerWaalsContact C-N 3.29Å; M283-V285 PolarHBondContact O-N 2.79Å; M283-Y286 PolarHBondContact O-N 2.83Å; M283-Q287 WeakPolarHBondContact O-CB 3.27Å; M283-Q287 VanDerWaalsContact O-CG 3.26Å; M283-Q287 WeakPolarHBondContact O-CG 3.47Å; M283-Q287 PolarHBondContact O-N 2.79Å; M283-F307 HydrophobicContact SD-CB 4.45Å; M283-F309 HydrophobicContact SD-CE2 3.88Å
284A85.6Confident83.7Confident48 Ų4847.2 Ų47.240%0.39722%0.223SC..Hα-helixtrans-60.6-38.217600000112.5R280 K281 C282 Q287 T288R280-A284 PolarHBondContact O-N 2.92Å; K281-A284 PolarHBondContact O-N 3.26Å; C282-A284 VanDerWaalsContact C-N 3.35Å; C282-A284 PolarHBondContact O-N 3.49Å; A284-Q287 PolarHBondContact O-N 2.94Å; A284-T288 WeakPolarHBondContact O-CB 3.42Å; A284-T288 PolarHBondContact O-N 2.92Å; A284-T288 PolarHBondContact O-OG1 3.13Å
285V85.1Confident83.6Confident13 Ų1353.1 Ų53.18%0.07925%0.251CS..Hα-helixtrans-67.1-47.3176.3176.60000110.8A103 I104 Y107 K281 C282 M283 Q287 T288 Y289A103-V285 HydrophobicContact CB-CG1 3.97Å; I104-V285 HydrophobicContact CD1-CG1 4.24Å; I104-V285 HydrophobicContact CG1-CG1 3.52Å; Y107-V285 HydrophobicContact CD2-CG2 4.09Å; Y107-V285 HydrophobicContact CE2-CG2 3.8Å; K281-V285 WeakPolarHBondContact O-CG2 3.36Å; K281-V285 PolarHBondContact O-N 3.23Å; C282-V285 PolarHBondContact O-N 3.26Å; M283-V285 VanDerWaalsContact C-N 3.29Å; M283-V285 PolarHBondContact O-N 2.79Å; V285-Q287 VanDerWaalsContact C-N 3.28Å; V285-Q287 PolarHBondContact O-N 2.91Å; V285-T288 WeakPolarHBondContact O-CB 3.35Å; V285-T288 PolarHBondContact O-N 3.23Å; V285-T288 VanDerWaalsContact O-N 3.09Å; V285-Y289 HydrophobicContact CG1-CD2 3.81Å; V285-Y289 HydrophobicContact CG1-CE2 3.93Å; V285-Y289 VanDerWaalsContact O-CD2 3.29Å; V285-Y289 WeakPolarHBondContact O-CD2 3.31Å; V285-Y289 PolarHBondContact O-N 3.33Å; V285-Y289 VanDerWaalsContact O-N 3.13Å
286Y85.8Confident83.6Confident0 Ų058.1 Ų58.10%027%0.269CS..Hα-helixtrans-57.7-42.2175.9-91.5-109.1000112I104 L164 H191 L247 G248 Q251 C282 M283 T288 Y289 I290 M293 F307I104-Y286 HydrophobicContact CD1-CE2 4.15Å; L164-Y286 HydrophobicContact CB-CE1 4.13Å; L164-Y286 HydrophobicContact CD2-CD1 3.82Å; L164-Y286 HydrophobicContact CD2-CD2 4.01Å; L164-Y286 HydrophobicContact CD2-CE1 3.99Å; L164-Y286 HydrophobicContact CD2-CE2 4.16Å; L164-Y286 HydrophobicContact CD2-CG 3.84Å; H191-Y286 AromaticContact NE2-CE1 3.75Å; L247-Y286 HydrophobicContact CD2-CD2 4.01Å; L247-Y286 HydrophobicContact CD2-CE2 3.56Å; G248-Y286 WeakPolarHBondContact CA-OH 3.12Å; G248-Y286 PolarHBondContact N-OH 2.86Å; G248-Y286 VanDerWaalsContact N-OH 3.08Å; G248-Y286 PolarHBondContact O-OH 3.17Å; Q251-Y286 HydrophobicContact CB-CD1 4.23Å; Q251-Y286 HydrophobicContact CB-CE1 3.72Å; Q251-Y286 HydrophobicContact CG-CD1 3.82Å; Q251-Y286 HydrophobicContact CG-CD2 4.34Å; Q251-Y286 HydrophobicContact CG-CE1 3.53Å; Q251-Y286 HydrophobicContact CG-CE2 4.08Å; Q251-Y286 HydrophobicContact CG-CG 4.22Å; Q251-Y286 PolarHBondContact OE1-OH 2.95Å; C282-Y286 WeakPolarHBondContact O-CD2 2.85Å; C282-Y286 PolarHBondContact O-N 2.81Å; M283-Y286 PolarHBondContact O-N 2.83Å; Y286-T288 VanDerWaalsContact C-N 3.32Å; Y286-T288 PolarHBondContact O-N 3.07Å; Y286-Y289 PolarHBondContact O-N 2.81Å; Y286-I290 PolarHBondContact O-N 3.27Å; Y286-M293 HydrophobicContact CD1-CE 3.59Å; Y286-M293 HydrophobicContact CE1-CE 4.44Å; Y286-M293 HydrophobicContact CG-CE 4.22Å; Y286-M293 WeakPolarHBondContact O-CE 3.48Å; Y286-F307 HydrophobicContact CD1-CE1 4.01Å; Y286-F307 HydrophobicContact CD1-CZ 4.18Å
287Q85.8Confident84.1Confident68 Ų6857.8 Ų57.832%0.31827%0.267SS..Hα-helixtrans-65.7-33.5176.7-71.5176.5-13.700113.1M283 A284 V285 I290 N305 F307M283-Q287 WeakPolarHBondContact O-CB 3.27Å; M283-Q287 VanDerWaalsContact O-CG 3.26Å; M283-Q287 WeakPolarHBondContact O-CG 3.47Å; M283-Q287 PolarHBondContact O-N 2.79Å; A284-Q287 PolarHBondContact O-N 2.94Å; V285-Q287 VanDerWaalsContact C-N 3.28Å; V285-Q287 PolarHBondContact O-N 2.91Å; Q287-I290 HydrophobicContact CB-CD1 4.44Å; Q287-I290 VanDerWaalsContact O-CD1 3.3Å; Q287-I290 WeakPolarHBondContact O-CD1 3.43Å; Q287-I290 VanDerWaalsContact O-CG1 3.29Å; Q287-I290 WeakPolarHBondContact O-CG1 3.19Å; Q287-N305 PolarHBondContact NE2-ND2 2.76Å; Q287-F307 HydrophobicContact CG-CB 4.32Å
288T89.1Confident84.7Confident98 Ų9856.6 Ų56.660%0.60126%0.257SS*.Hα-helixtrans-69.5-37.1178.3-58.20000111.6A284 V285 Y286A284-T288 WeakPolarHBondContact O-CB 3.42Å; A284-T288 PolarHBondContact O-N 2.92Å; A284-T288 PolarHBondContact O-OG1 3.13Å; V285-T288 WeakPolarHBondContact O-CB 3.35Å; V285-T288 PolarHBondContact O-N 3.23Å; V285-T288 VanDerWaalsContact O-N 3.09Å; Y286-T288 VanDerWaalsContact C-N 3.32Å; Y286-T288 PolarHBondContact O-N 3.07Å
289Y89.4Confident85.2Confident64 Ų6461.5 Ų61.525%0.25128%0.284SS..THydrogen-bonded Turntrans-100.927.6-176.7-64.4-74000113.6H99 A100 A103 V285 Y286 Y291 A292H99-Y289 HydrophobicContact CB-CE1 3.73Å; H99-Y289 PolarHBondContact O-OH 2.88Å; A100-Y289 HydrophobicContact CB-CD1 4.08Å; A100-Y289 HydrophobicContact CB-CD2 3.99Å; A100-Y289 HydrophobicContact CB-CE1 4.46Å; A100-Y289 HydrophobicContact CB-CE2 4.4Å; A100-Y289 HydrophobicContact CB-CG 3.83Å; A103-Y289 HydrophobicContact CB-CE2 3.56Å; V285-Y289 HydrophobicContact CG1-CD2 3.81Å; V285-Y289 HydrophobicContact CG1-CE2 3.93Å; V285-Y289 VanDerWaalsContact O-CD2 3.29Å; V285-Y289 WeakPolarHBondContact O-CD2 3.31Å; V285-Y289 PolarHBondContact O-N 3.33Å; V285-Y289 VanDerWaalsContact O-N 3.13Å; Y286-Y289 PolarHBondContact O-N 2.81Å; Y289-Y291 PolarHBondContact O-N 3.45Å; Y289-Y291 VanDerWaalsContact O-N 3.14Å; Y289-A292 WeakPolarHBondContact O-CB 3.48Å; Y289-A292 PolarHBondContact O-N 2.88Å
290I86.7Confident85.8Confident7 Ų764.5 Ų64.54%0.03630%0.297CS..G310 helixtrans-55.8-31.4176.9-72.5169.7000112.1Y286 Q287 A292 M293 I297 R298 L301Y286-I290 PolarHBondContact O-N 3.27Å; Q287-I290 HydrophobicContact CB-CD1 4.44Å; Q287-I290 VanDerWaalsContact O-CD1 3.3Å; Q287-I290 WeakPolarHBondContact O-CD1 3.43Å; Q287-I290 VanDerWaalsContact O-CG1 3.29Å; Q287-I290 WeakPolarHBondContact O-CG1 3.19Å; I290-A292 PolarHBondContact O-N 2.86Å; I290-M293 HydrophobicContact CG1-CE 4.45Å; I290-M293 HydrophobicContact CG1-SD 4.28Å; I290-M293 VanDerWaalsContact O-CB 3.24Å; I290-M293 WeakPolarHBondContact O-CB 3.22Å; I290-M293 PolarHBondContact O-N 2.85Å; I290-I297 HydrophobicContact CG2-CG2 4.07Å; I290-R298 HydrophobicContact CG2-CG 4.37Å; I290-L301 HydrophobicContact CD1-CD1 3.81Å; I290-L301 HydrophobicContact CD1-CD2 4Å; I290-L301 HydrophobicContact CD1-CG 4.5Å; I290-L301 HydrophobicContact CG2-CD2 4Å
291Y83.9Confident85.9Confident189 Ų18958 Ų5874%0.74128%0.277SS*.G310 helixtrans-65.3-18.9178.7-69.1-72000114.3Y289 M293 R298Y289-Y291 PolarHBondContact O-N 3.45Å; Y289-Y291 VanDerWaalsContact O-N 3.14Å; Y291-M293 VanDerWaalsContact C-N 3.32Å; Y291-R298 PolarHBondContact O-NH1 3.49Å
292A85.6Confident85.5Confident23 Ų2357.2 Ų57.219%0.1929%0.291CS..G310 helixtrans-88.23.4173.500000113.4L164 Y289 I290L164-A292 HydrophobicContact CD1-CB 4.12Å; Y289-A292 WeakPolarHBondContact O-CB 3.48Å; Y289-A292 PolarHBondContact O-N 2.88Å; I290-A292 PolarHBondContact O-N 2.86Å
293M88.9Confident85.6Confident0 Ų064.5 Ų64.50%033%0.33CS..SBendtrans-93.1171.8175.5-64.1-178.8-171.900111.1L164 H191 Y286 I290 Y291 I297 R298 F307L164-M293 HydrophobicContact CD1-CE 4.08Å; L164-M293 HydrophobicContact CD1-CG 4.03Å; L164-M293 HydrophobicContact CD2-CE 3.96Å; H191-M293 HydrophobicContact CB-SD 4.42Å; H191-M293 WeakPolarHBondContact O-CA 3.32Å; H191-M293 WeakPolarHBondContact O-CB 3.43Å; Y286-M293 HydrophobicContact CD1-CE 3.59Å; Y286-M293 HydrophobicContact CE1-CE 4.44Å; Y286-M293 HydrophobicContact CG-CE 4.22Å; Y286-M293 WeakPolarHBondContact O-CE 3.48Å; I290-M293 HydrophobicContact CG1-CE 4.45Å; I290-M293 HydrophobicContact CG1-SD 4.28Å; I290-M293 VanDerWaalsContact O-CB 3.24Å; I290-M293 WeakPolarHBondContact O-CB 3.22Å; I290-M293 PolarHBondContact O-N 2.85Å; Y291-M293 VanDerWaalsContact C-N 3.32Å; M293-I297 HydrophobicContact CB-CB 4.19Å; M293-I297 HydrophobicContact CB-CG2 4.27Å; M293-I297 HydrophobicContact SD-CB 4.47Å; M293-I297 HydrophobicContact SD-CG2 3.76Å; M293-R298 PolarHBondContact O-NE 2.93Å; M293-F307 HydrophobicContact CE-CE2 3.62Å; M293-F307 HydrophobicContact CE-CZ 3.64Å; M293-F307 HydrophobicContact SD-CE2 3.38Å; M293-F307 WeakPolarHBondContact SD-CE2 3.4Å; M293-F307 HydrophobicContact SD-CZ 3.55Å; M293-F307 VanDerWaalsContact SD-CZ 3.55Å
294N89.5Confident85.6Confident4 Ų467 Ų672%0.02134%0.344CS..  trans-64.3168.6179.967.719.7000113.8E188 D189 R190 H191 R296 I297 R298E188-N294 HydrophobicContact CG-CB 4.37Å; E188-N294 WeakPolarHBondContact OE1-CB 3.34Å; E188-N294 PolarHBondContact OE1-ND2 3.05Å; D189-N294 PolarHBondContact O-ND2 3.29Å; R190-N294 PolarHBondContact O-ND2 3.48Å; H191-N294 PolarHBondContact O-N 3.3Å; H191-N294 VanDerWaalsContact O-N 3.1Å; N294-R296 VanDerWaalsContact C-N 3.27Å; N294-R296 PolarHBondContact O-N 2.77Å; N294-R296 WeakPolarHBondContact OD1-CB 3.43Å; N294-R296 PolarHBondContact OD1-N 3.39Å; N294-I297 PolarHBondContact O-N 3.05Å; N294-I297 WeakPolarHBondContact OD1-CG1 3.18Å; N294-I297 PolarHBondContact OD1-N 2.89Å; N294-R298 WeakPolarHBondContact O-CG 3.4Å; N294-R298 PolarHBondContact O-N 3.26Å
295E89Confident85.5Confident129 Ų12966.3 Ų66.360%0.60333%0.333SS*.Hα-helixtrans-61-34.5179.4-70.5-173.8173.500113.1I297 R298 N299E295-I297 PolarHBondContact O-N 3.37Å; E295-R298 PolarHBondContact O-N 3.44Å; E295-N299 WeakPolarHBondContact O-CB 3.32Å; E295-N299 PolarHBondContact O-N 3.2Å; E295-N299 PolarHBondContact O-ND2 2.66Å
296R88.7Confident85.4Confident107 Ų10766.1 Ų66.140%0.40433%0.332SS..Hα-helixtrans-56.4-52.8178.2179-178.6171.8172.9-2.5111.3E259 N294 N299 Q300E259-R296 IonicContact OE2-NH2 3.49Å; E259-R296 PolarHBondContact OE2-NH2 3.23Å; N294-R296 VanDerWaalsContact C-N 3.27Å; N294-R296 PolarHBondContact O-N 2.77Å; N294-R296 WeakPolarHBondContact OD1-CB 3.43Å; N294-R296 PolarHBondContact OD1-N 3.39Å; R296-N299 PolarHBondContact O-N 3.1Å; R296-Q300 WeakPolarHBondContact O-CB 3.33Å; R296-Q300 PolarHBondContact O-N 3.28Å
297I88.9Confident85.4Confident3 Ų366.4 Ų66.42%0.01533%0.333CS..Hα-helixtrans-66.8-42.2-179.8-63.6-65.9000111.3H191 I290 M293 N294 E295 N299 Q300 L301 P306 F307H191-I297 HydrophobicContact CB-CD1 4.11Å; H191-I297 HydrophobicContact CB-CG1 3.81Å; I290-I297 HydrophobicContact CG2-CG2 4.07Å; M293-I297 HydrophobicContact CB-CB 4.19Å; M293-I297 HydrophobicContact CB-CG2 4.27Å; M293-I297 HydrophobicContact SD-CB 4.47Å; M293-I297 HydrophobicContact SD-CG2 3.76Å; N294-I297 PolarHBondContact O-N 3.05Å; N294-I297 WeakPolarHBondContact OD1-CG1 3.18Å; N294-I297 PolarHBondContact OD1-N 2.89Å; E295-I297 PolarHBondContact O-N 3.37Å; I297-N299 VanDerWaalsContact C-N 3.28Å; I297-N299 PolarHBondContact O-N 2.65Å; I297-Q300 PolarHBondContact O-N 3.5Å; I297-L301 PolarHBondContact O-N 2.94Å; I297-P306 HydrophobicContact CD1-CB 4.04Å; I297-P306 HydrophobicContact CD1-CG 3.49Å; I297-P306 VanDerWaalsContact CD1-CG 3.49Å; I297-P306 HydrophobicContact CG2-CG 3.93Å; I297-F307 HydrophobicContact CG2-CE2 4.09Å
298R86.3Confident85.4Confident96 Ų9666.5 Ų66.536%0.36234%0.34SS..Hα-helixtrans-60.2-39.4179.4-68.8-171.9-61.2-166.34.8111.9I290 Y291 M293 N294 E295I290-R298 HydrophobicContact CG2-CG 4.37Å; Y291-R298 PolarHBondContact O-NH1 3.49Å; M293-R298 PolarHBondContact O-NE 2.93Å; N294-R298 WeakPolarHBondContact O-CG 3.4Å; N294-R298 PolarHBondContact O-N 3.26Å; E295-R298 PolarHBondContact O-N 3.44Å
299N87.2Confident85.4Confident114 Ų11463.6 Ų63.661%0.6132%0.32SS*.Hα-helixtrans-73.7-37.6176.3-68.8-23.9000112.4E295 R296 I297 L301 A302E295-N299 WeakPolarHBondContact O-CB 3.32Å; E295-N299 PolarHBondContact O-N 3.2Å; E295-N299 PolarHBondContact O-ND2 2.66Å; R296-N299 PolarHBondContact O-N 3.1Å; I297-N299 VanDerWaalsContact C-N 3.28Å; I297-N299 PolarHBondContact O-N 2.65Å; N299-L301 VanDerWaalsContact C-N 3.28Å; N299-L301 PolarHBondContact O-N 3.2Å; N299-A302 PolarHBondContact O-N 3.45Å
300Q85Confident85.5Confident66 Ų6667.4 Ų67.431%0.30833%0.334SS..Hα-helixtrans-65-32.9179.9-170.3174-8.700112.3R296 I297 A302 N303 N304R296-Q300 WeakPolarHBondContact O-CB 3.33Å; R296-Q300 PolarHBondContact O-N 3.28Å; I297-Q300 PolarHBondContact O-N 3.5Å; Q300-A302 PolarHBondContact O-N 3.04Å; Q300-N303 PolarHBondContact O-N 3.4Å; Q300-N304 CarbonylContact C-O 3.5Å; Q300-N304 PolarHBondContact O-N 3.07Å
301L82.1Confident85.8Confident66 Ų6669 Ų6935%0.34634%0.341SS..THydrogen-bonded Turntrans-54.7-28.8-179.3-173.163.8000113.6I290 I297 N299 N303 N305I290-L301 HydrophobicContact CD1-CD1 3.81Å; I290-L301 HydrophobicContact CD1-CD2 4Å; I290-L301 HydrophobicContact CD1-CG 4.5Å; I290-L301 HydrophobicContact CG2-CD2 4Å; I297-L301 PolarHBondContact O-N 2.94Å; N299-L301 VanDerWaalsContact C-N 3.28Å; N299-L301 PolarHBondContact O-N 3.2Å; L301-N303 PolarHBondContact O-N 3.01Å; L301-N305 HydrophobicContact CD1-CB 4.09Å
302A75Confident86.3Confident89 Ų8960.8 Ų60.874%0.73631%0.309SS*.THydrogen-bonded Turntrans-62.3-28.6176.500000113.1N299 Q300N299-A302 PolarHBondContact O-N 3.45Å; Q300-A302 PolarHBondContact O-N 3.04Å
303N78.3Confident86.5Confident153 Ų15363 Ų6382%0.81832%0.323SS*.THydrogen-bonded Turntrans-108.5-45.1-176.8-64-33.9000112.4Q300 L301Q300-N303 PolarHBondContact O-N 3.4Å; L301-N303 PolarHBondContact O-N 3.01Å
304N82.3Confident86.5Confident71 Ų7167.6 Ų67.638%0.3835%0.348SS..  trans-152.8139-175.9-174.514.1000110.1Q300 P306Q300-N304 CarbonylContact C-O 3.5Å; Q300-N304 PolarHBondContact O-N 3.07Å; N304-P306 VanDerWaalsContact O-CD 3.26Å; N304-P306 WeakPolarHBondContact O-CD 3.47Å
305N83.6Confident86.3Confident33 Ų3367.7 Ų67.718%0.17635%0.349CS..  trans-82112172.6-174.7-23.2000109.4Q287 L301 F307 C308Q287-N305 PolarHBondContact NE2-ND2 2.76Å; L301-N305 HydrophobicContact CD1-CB 4.09Å; N305-F307 PolarHBondContact O-N 3.45Å; N305-F307 VanDerWaalsContact O-N 3.11Å; N305-F307 PolarHBondContact OD1-N 3.32Å; N305-C308 HydrophobicContact CB-CB 4.35Å; N305-C308 WeakPolarHBondContact O-CB 3.33Å; N305-C308 PolarHBondContact O-N 2.95Å
306P81.8Confident85.7Confident9 Ų968.7 Ų68.76%0.05835%0.351CS..THydrogen-bonded Turntrans-67.3-13.8-175.326.7-33.2000113.9L255 I297 N304 C308 F309L255-P306 HydrophobicContact CD2-CB 3.79Å; L255-P306 WeakPolarHBondContact CD2-O 3.31Å; I297-P306 HydrophobicContact CD1-CB 4.04Å; I297-P306 HydrophobicContact CD1-CG 3.49Å; I297-P306 VanDerWaalsContact CD1-CG 3.49Å; I297-P306 HydrophobicContact CG2-CG 3.93Å; N304-P306 VanDerWaalsContact O-CD 3.26Å; N304-P306 WeakPolarHBondContact O-CD 3.47Å; P306-C308 VanDerWaalsContact C-N 3.35Å; P306-F309 WeakPolarHBondContact O-CE1 3.47Å
307F85.5Confident85.1Confident6 Ų664.9 Ų64.93%0.02634%0.341CS..THydrogen-bonded Turntrans-91.52.8173.9-58.3-75.9000113.3H191 Q251 L255 M283 Y286 Q287 M293 I297 N305 F309H191-F307 HydrophobicContact CB-CZ 3.98Å; Q251-F307 HydrophobicContact CB-CE1 4.28Å; L255-F307 HydrophobicContact CD1-CE1 4.1Å; L255-F307 HydrophobicContact CD1-CZ 4.39Å; L255-F307 HydrophobicContact CG-CE1 4.49Å; M283-F307 HydrophobicContact SD-CB 4.45Å; Y286-F307 HydrophobicContact CD1-CE1 4.01Å; Y286-F307 HydrophobicContact CD1-CZ 4.18Å; Q287-F307 HydrophobicContact CG-CB 4.32Å; M293-F307 HydrophobicContact CE-CE2 3.62Å; M293-F307 HydrophobicContact CE-CZ 3.64Å; M293-F307 HydrophobicContact SD-CE2 3.38Å; M293-F307 WeakPolarHBondContact SD-CE2 3.4Å; M293-F307 HydrophobicContact SD-CZ 3.55Å; M293-F307 VanDerWaalsContact SD-CZ 3.55Å; I297-F307 HydrophobicContact CG2-CE2 4.09Å; N305-F307 PolarHBondContact O-N 3.45Å; N305-F307 VanDerWaalsContact O-N 3.11Å; N305-F307 PolarHBondContact OD1-N 3.32Å; F307-F309 HydrophobicContact CD1-CZ 4.15Å; F307-F309 PolarHBondContact O-N 3.09Å
308C86.4Confident84.6Confident69 Ų6967.3 Ų67.347%0.46635%0.353SS..SBendtrans-93.277.7165.1-68.70000108.7N305 P306N305-C308 HydrophobicContact CB-CB 4.35Å; N305-C308 WeakPolarHBondContact O-CB 3.33Å; N305-C308 PolarHBondContact O-N 2.95Å; P306-C308 VanDerWaalsContact C-N 3.35Å
309F89.3Confident84.3Confident37 Ų3771 Ų7116%0.16237%0.374CS..  trans-63.6138.9-176.5-55.7-67.2000112.1M254 L255 D258 M283 P306 F307 I312M254-F309 HydrophobicContact CB-CD1 4.35Å; M254-F309 HydrophobicContact CB-CE1 3.67Å; M254-F309 HydrophobicContact CB-CE2 3.93Å; M254-F309 HydrophobicContact CB-CZ 3.43Å; M254-F309 VanDerWaalsContact CB-CZ 3.43Å; M254-F309 HydrophobicContact CE-CE2 3.72Å; M254-F309 HydrophobicContact CE-CZ 3.94Å; M254-F309 HydrophobicContact CG-CE2 4.43Å; M254-F309 HydrophobicContact CG-CZ 4.37Å; M254-F309 HydrophobicContact SD-CD2 4.28Å; M254-F309 HydrophobicContact SD-CE2 3.73Å; M254-F309 HydrophobicContact SD-CZ 4.19Å; L255-F309 HydrophobicContact CD2-CE1 3.94Å; L255-F309 HydrophobicContact CG-CE1 4.22Å; D258-F309 HydrophobicContact CB-CD1 3.78Å; M283-F309 HydrophobicContact SD-CE2 3.88Å; P306-F309 WeakPolarHBondContact O-CE1 3.47Å; F307-F309 HydrophobicContact CD1-CZ 4.15Å; F307-F309 PolarHBondContact O-N 3.09Å; F309-I312 HydrophobicContact CB-CB 3.72Å; F309-I312 HydrophobicContact CB-CD1 4.3Å; F309-I312 HydrophobicContact CB-CG1 4.11Å; F309-I312 HydrophobicContact CD1-CD1 4.07Å; F309-I312 HydrophobicContact CG-CB 4.19Å; F309-I312 HydrophobicContact CG-CD1 4.05Å; F309-I312 HydrophobicContact CG-CG1 4.4Å
310R91.3Very high83.7Confident145 Ų14571.7 Ų71.755%0.54737%0.374SS..SBendtrans-90.4-33.8-179.2-72.2-179.8-74.1170-2.2112.3D258 D262D258-R310 PolarHBondContact OD1-N 3.19Å; D258-R310 PolarHBondContact OD2-N 3.35Å; D262-R310 VanDerWaalsContact CG-CZ 3.41Å; D262-R310 IonicContact OD1-CZ 3.08Å; D262-R310 IonicContact OD1-NH1 2.73Å; D262-R310 PolarHBondContact OD1-NH1 2.8Å; D262-R310 IonicContact OD1-NH2 3.12Å; D262-R310 PolarHBondContact OD1-NH2 2.66Å; D262-R310 VanDerWaalsContact OD1-NH2 3.12Å; D262-R310 IonicContact OD2-CZ 3.44Å; D262-R310 IonicContact OD2-NH1 3.4Å; D262-R310 PolarHBondContact OD2-NH1 3.28Å; D262-R310 IonicContact OD2-NH2 2.71Å; D262-R310 PolarHBondContact OD2-NH2 3.33Å
311H94.2Very high83.6Confident39 Ų3969.7 Ų69.718%0.18136%0.364CS..SBendtrans-108.9-3.2-173.1-56.4-80.6000113.1D258 W261 D262 H268 I272D258-H311 IonicContact OD1-CD2 3.64Å; D258-H311 IonicContact OD1-CG 3.74Å; D258-H311 PolarHBondContact OD1-N 3.48Å; W261-H311 HydrophobicContact CB-CB 3.77Å; W261-H311 HydrophobicContact CG-CB 4.08Å; D262-H311 IonicContact OD1-NE2 3.14Å; H268-H311 AromaticContact CD2-CE1 3.81Å; H268-H311 AromaticContact NE2-CE1 3.54Å; I272-H311 HydrophobicContact CD1-CB 4.48Å
312I93.5Very high83.7Confident17 Ų1772 Ų729%0.08738%0.377CS..EExtended strand (participates in β ladder)trans-109.2121.7-177.4-53.5-179.3000110.5M254 L257 D258 I272 F309M254-I312 HydrophobicContact CB-CD1 3.59Å; M254-I312 HydrophobicContact CG-CD1 3.81Å; M254-I312 WeakPolarHBondContact O-CD1 3.45Å; M254-I312 HydrophobicContact SD-CG2 4.43Å; L257-I312 HydrophobicContact CB-CD1 4.47Å; D258-I312 HydrophobicContact CB-CD1 4.14Å; D258-I312 HydrophobicContact CB-CG1 4.46Å; I272-I312 HydrophobicContact CB-CG1 4.1Å; I272-I312 HydrophobicContact CD1-CG1 4.2Å; I272-I312 HydrophobicContact CG2-CB 4.47Å; I272-I312 HydrophobicContact CG2-CD1 4.39Å; I272-I312 HydrophobicContact CG2-CG1 3.91Å; I272-I312 HydrophobicContact CG2-CG2 4.21Å; I272-I312 WeakPolarHBondContact O-CA 3.43Å; F309-I312 HydrophobicContact CB-CB 3.72Å; F309-I312 HydrophobicContact CB-CD1 4.3Å; F309-I312 HydrophobicContact CB-CG1 4.11Å; F309-I312 HydrophobicContact CD1-CD1 4.07Å; F309-I312 HydrophobicContact CG-CB 4.19Å; F309-I312 HydrophobicContact CG-CD1 4.05Å; F309-I312 HydrophobicContact CG-CG1 4.4Å
313S90.7Very high84.3Confident69 Ų6970.7 Ų70.748%0.48336%0.358SS..EExtended strand (participates in β ladder)trans-106.2143.9178.2-69.40000112I272 Y273 Y274I272-S313 PolarHBondContact O-N 2.8Å; Y273-S313 CarbonylContact C-O 3.34Å; Y273-S313 VanDerWaalsContact CA-O 3.3Å; Y273-S313 WeakPolarHBondContact CA-O 3.27Å; Y274-S313 PolarHBondContact N-O 2.8Å
314N88.3Confident84.6Confident97 Ų9767.1 Ų67.152%0.51935%0.345SS..EExtended strand (participates in β ladder)trans-78.1129.5176.5-71.9-30.3000111.2Y274Y274-N314 WeakPolarHBondContact O-CA 3.32Å
315L84.9Confident85Confident7 Ų765.1 Ų65.14%0.03734%0.341CS..EExtended strand (participates in β ladder)trans-108.9123.4172.5-178.667.7000110.2Y273 Y274 A275 S276 H320 F321Y273-L315 HydrophobicContact CD1-CB 4.26Å; Y273-L315 HydrophobicContact CG-CB 4.46Å; Y274-L315 PolarHBondContact O-N 3.42Å; A275-L315 WeakPolarHBondContact CA-O 3.26Å; A275-L315 HydrophobicContact CB-CB 3.96Å; A275-L315 HydrophobicContact CB-CD2 3.95Å; A275-L315 HydrophobicContact CB-CG 4.3Å; S276-L315 PolarHBondContact N-O 3.03Å; L315-H320 HydrophobicContact CD1-CB 4.21Å; L315-F321 HydrophobicContact CD1-CB 3.83Å; L315-F321 HydrophobicContact CD1-CD2 4.36Å; L315-F321 HydrophobicContact CD2-CB 3.87Å; L315-F321 HydrophobicContact CD2-CD2 3.81Å; L315-F321 HydrophobicContact CD2-CG 3.96Å; L315-F321 HydrophobicContact CG-CB 4.45Å
316K76.1Confident85.7Confident150 Ų15065.4 Ų65.465%0.65234%0.344SS*.  trans-83.1-42.4-174.5-70.3-178.8-177.8171.80113.6Q277Q277-K316 WeakPolarHBondContact CG-O 3.31Å
317S75.9Confident86.4Confident26 Ų2665.2 Ų65.218%0.18234%0.343CS..  trans-156.5164-179.664.60000109.4E319 H320S317-E319 PolarHBondContact O-N 2.83Å; S317-H320 PolarHBondContact O-N 3.14Å; S317-H320 VanDerWaalsContact O-N 3.12Å; S317-H320 PolarHBondContact OG-ND1 3Å
318I79.1Confident87Confident55 Ų5564.9 Ų64.928%0.28234%0.342SS..G310 helixtrans-59.3-27.4175.3-161.9164.2000112.8H320 F321 L340 E343 L344I318-H320 PolarHBondContact O-N 2.73Å; I318-F321 WeakPolarHBondContact O-CB 3.44Å; I318-F321 PolarHBondContact O-N 2.72Å; I318-F321 VanDerWaalsContact O-N 3.08Å; I318-L340 HydrophobicContact CB-CD1 3.81Å; I318-L340 HydrophobicContact CD1-CD1 4.4Å; I318-L340 HydrophobicContact CG1-CD1 4.42Å; I318-E343 HydrophobicContact CD1-CB 4.49Å; I318-L344 HydrophobicContact CD1-CD2 4.21Å
319E79Confident87.4Confident172 Ų17261.6 Ų61.680%0.80432%0.319SS*.G310 helixtrans-65.2-23.6177.5-59.6174163.900113.4S317S317-E319 PolarHBondContact O-N 2.83Å
320H75.9Confident87.7Confident129 Ų12960 Ų6060%0.59731%0.312SS*.G310 helixtrans-96.95.7177.9-6283.8000112.3L315 S317 I318L315-H320 HydrophobicContact CD1-CB 4.21Å; S317-H320 PolarHBondContact O-N 3.14Å; S317-H320 VanDerWaalsContact O-N 3.12Å; S317-H320 PolarHBondContact OG-ND1 3Å; I318-H320 PolarHBondContact O-N 2.73Å
321F82.9Confident87.7Confident25 Ų2553.1 Ų53.111%0.1129%0.287CS..  trans-100.5114.4-177.2-177.9-120.3000109.5Y273 L315 I318 D323 V329 L344 W348Y273-F321 HydrophobicContact CD2-CD2 4.23Å; Y273-F321 AromaticContact CD2-CE2 3.73Å; Y273-F321 HydrophobicContact CD2-CE2 3.73Å; Y273-F321 HydrophobicContact CE2-CD2 4.12Å; Y273-F321 AromaticContact CE2-CE2 3.61Å; Y273-F321 HydrophobicContact CE2-CE2 3.61Å; L315-F321 HydrophobicContact CD1-CB 3.83Å; L315-F321 HydrophobicContact CD1-CD2 4.36Å; L315-F321 HydrophobicContact CD2-CB 3.87Å; L315-F321 HydrophobicContact CD2-CD2 3.81Å; L315-F321 HydrophobicContact CD2-CG 3.96Å; L315-F321 HydrophobicContact CG-CB 4.45Å; I318-F321 WeakPolarHBondContact O-CB 3.44Å; I318-F321 PolarHBondContact O-N 2.72Å; I318-F321 VanDerWaalsContact O-N 3.08Å; F321-D323 HydrophobicContact CD1-CB 3.98Å; F321-D323 HydrophobicContact CE1-CB 3.46Å; F321-D323 VanDerWaalsContact CE1-CB 3.46Å; F321-D323 HydrophobicContact CZ-CB 4.15Å; F321-D323 PolarHBondContact O-N 3.13Å; F321-V329 HydrophobicContact CE2-CG2 4.13Å; F321-V329 HydrophobicContact CZ-CG2 4.17Å; F321-L344 HydrophobicContact CD1-CD2 4.47Å; F321-L344 HydrophobicContact CE1-CD2 4.43Å; F321-W348 AromaticContact CE1-CZ2 3.76Å; F321-W348 HydrophobicContact CE1-CZ2 3.76Å; F321-W348 HydrophobicContact CZ-CH2 4.49Å; F321-W348 AromaticContact CZ-CZ2 3.93Å; F321-W348 HydrophobicContact CZ-CZ2 3.93Å
322D83.3Confident87.3Confident114 Ų11451.8 Ų51.861%0.6128%0.282SS*.  trans-85.2103.6166.2-177.323.5000108.4S324D322-S324 PolarHBondContact O-N 2.89Å; D322-S324 PolarHBondContact OD2-OG 3.36Å
323D87.2Confident87.1Confident62 Ų6251.8 Ų51.833%0.33228%0.283SS..  trans-77.454.9178.3-166.5-7.9000111.4R239 F321 W348R239-D323 IonicContact CZ-OD1 3.82Å; R239-D323 IonicContact NE-OD1 3.31Å; R239-D323 PolarHBondContact NE-OD1 3.2Å; R239-D323 IonicContact NH2-OD1 3.67Å; F321-D323 HydrophobicContact CD1-CB 3.98Å; F321-D323 HydrophobicContact CE1-CB 3.46Å; F321-D323 VanDerWaalsContact CE1-CB 3.46Å; F321-D323 HydrophobicContact CZ-CB 4.15Å; F321-D323 PolarHBondContact O-N 3.13Å; D323-W348 PolarHBondContact OD2-NE1 3.35Å
324S84.7Confident87Confident78 Ų7849.1 Ų49.155%0.54527%0.266SS..  trans-105.9106.3-179.966.40000110.6D322D322-S324 PolarHBondContact O-N 2.89Å; D322-S324 PolarHBondContact OD2-OG 3.36Å
325G92Very high87.1Confident29 Ų2945.3 Ų45.330%0.29925%0.245SC..SBendtrans87.7-171.6177.400000115.3R239R239-G325 PolarHBondContact NE-O 2.78Å; R239-G325 PolarHBondContact NH2-O 2.8Å
326P96.8Very high87.5Confident39 Ų3945 Ų4525%0.25324%0.244SC..  trans-69.8143.4176.429.3-33000111.1V234 G238 I270V234-P326 HydrophobicContact CB-CB 4.17Å; V234-P326 WeakPolarHBondContact O-CB 3.44Å; G238-P326 VanDerWaalsContact O-CA 3.25Å; G238-P326 WeakPolarHBondContact O-CA 3.24Å; G238-P326 VanDerWaalsContact O-CB 3.31Å; G238-P326 WeakPolarHBondContact O-CB 3.4Å; I270-P326 HydrophobicContact CD1-CG 4.11Å; I270-P326 HydrophobicContact CG1-CG 4.24Å; I270-P326 HydrophobicContact CG2-CB 4.35Å; I270-P326 HydrophobicContact CG2-CG 4.48Å
327C97.1Very high88Confident4 Ų440.8 Ų40.83%0.02723%0.226CC..EExtended strand (participates in β ladder)trans-156.6164.2175.562.30000110.7R239 C240 P271 Y273R239-C327 WeakPolarHBondContact CA-O 3.37Å; C240-C327 PolarHBondContact N-O 2.92Å; P271-C327 HydrophobicContact CG-CB 3.98Å; Y273-C327 HydrophobicContact CD2-CB 4.38Å; Y273-C327 HydrophobicContact CE2-CB 4.21Å
328V97.5Very high88.5Confident0 Ų040.9 Ų40.90%023%0.227CC..EExtended strand (participates in β ladder)trans-113.5127.3169.5-174.90000108.3V230 V234 C240 I242 L257 W261 P271 I272 Y273V230-V328 HydrophobicContact CG1-CG1 4.45Å; V230-V328 HydrophobicContact CG1-CG2 3.65Å; V234-V328 HydrophobicContact CG1-CG2 3.72Å; C240-V328 HydrophobicContact CB-CB 4.46Å; C240-V328 HydrophobicContact CB-CG1 4.29Å; C240-V328 HydrophobicContact CB-CG2 4.15Å; C240-V328 CarbonylContact O-C 3.44Å; C240-V328 WeakPolarHBondContact O-CA 3.5Å; I242-V328 HydrophobicContact CD1-CG1 3.67Å; I242-V328 HydrophobicContact CG1-CG1 4.4Å; L257-V328 HydrophobicContact CD1-CG1 4.27Å; W261-V328 HydrophobicContact CH2-CG2 3.67Å; W261-V328 HydrophobicContact CZ2-CG2 4.09Å; P271-V328 PolarHBondContact O-N 3.21Å; I272-V328 CarbonylContact C-O 3.59Å; I272-V328 WeakPolarHBondContact CA-O 3.47Å; I272-V328 HydrophobicContact CB-CB 4.48Å; I272-V328 HydrophobicContact CG1-CB 4.17Å; I272-V328 HydrophobicContact CG1-CG2 4.41Å; I272-V328 HydrophobicContact CG2-CB 4.22Å; I272-V328 HydrophobicContact CG2-CG1 4.36Å; Y273-V328 PolarHBondContact N-O 2.84Å
329V95.8Very high88.9Confident0 Ų039 Ų390%022%0.221CC..EExtended strand (participates in β ladder)trans-125.6118.3177.6-174.60000110.6C240 I242 Y273 A275 F321 A331 L344 W348C240-V329 PolarHBondContact O-N 3.22Å; I242-V329 PolarHBondContact N-O 3.02Å; Y273-V329 HydrophobicContact CD2-CG2 4Å; Y273-V329 WeakPolarHBondContact O-CA 3.39Å; A275-V329 HydrophobicContact CB-CG1 3.89Å; F321-V329 HydrophobicContact CE2-CG2 4.13Å; F321-V329 HydrophobicContact CZ-CG2 4.17Å; V329-A331 HydrophobicContact CG1-CB 4.32Å; V329-L344 HydrophobicContact CB-CD1 4.23Å; V329-L344 HydrophobicContact CG1-CD1 3.53Å; V329-W348 HydrophobicContact CB-CH2 3.81Å; V329-W348 HydrophobicContact CB-CZ3 4.27Å; V329-W348 HydrophobicContact CG2-CH2 3.55Å; V329-W348 HydrophobicContact CG2-CZ2 4.4Å; V329-W348 HydrophobicContact CG2-CZ3 4.43Å
330M94.8Very high89.4Confident2 Ų232.1 Ų32.11%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-93.2112.2169.6-67.4178.859.800109.4I242 A250 L253 M254 L257 Y273 Y274 A275I242-M330 HydrophobicContact CB-CG 3.97Å; I242-M330 HydrophobicContact CD1-CG 4.16Å; I242-M330 HydrophobicContact CG2-CG 4.32Å; I242-M330 VanDerWaalsContact O-CA 3.32Å; I242-M330 WeakPolarHBondContact O-CA 3.37Å; A250-M330 HydrophobicContact CB-CE 3.72Å; A250-M330 WeakPolarHBondContact O-CE 3.45Å; L253-M330 HydrophobicContact CB-CE 3.82Å; L253-M330 HydrophobicContact CB-SD 4.35Å; L253-M330 HydrophobicContact CD1-CE 4.31Å; M254-M330 HydrophobicContact CG-CE 3.8Å; M254-M330 HydrophobicContact CG-SD 3.64Å; L257-M330 HydrophobicContact CD1-SD 3.97Å; Y273-M330 PolarHBondContact O-N 2.79Å; Y274-M330 HydrophobicContact CD2-CB 4.14Å; A275-M330 WeakPolarHBondContact CB-O 3.36Å; A275-M330 PolarHBondContact N-O 2.86Å
331A91.5Very high90.1Very high2 Ų226 Ų262%0.01716%0.161CC..EExtended strand (participates in β ladder)trans-131.1148.1-173.100000112.6L241 I242 P243 A244 A275 V329 L340 S341 L344L241-A331 HydrophobicContact CD1-CB 4.31Å; I242-A331 PolarHBondContact O-N 3.4Å; P243-A331 WeakPolarHBondContact CA-O 3.36Å; A244-A331 PolarHBondContact N-O 3.38Å; A244-A331 CarbonylContact O-C 3.55Å; A244-A331 VanDerWaalsContact O-O 3.1Å; A275-A331 HydrophobicContact CB-CB 4.16Å; V329-A331 HydrophobicContact CG1-CB 4.32Å; A331-L340 HydrophobicContact CB-CG 4.29Å; A331-S341 WeakPolarHBondContact O-CB 3.5Å; A331-L344 HydrophobicContact CB-CD1 3.92Å
332S87.5Confident90.6Very high11 Ų1125.7 Ų25.78%0.07716%0.159CC..SBendtrans-93.3153.3174.665.90000112.6A244 L340 S341A244-S332 WeakPolarHBondContact O-CA 3.45Å; A244-S332 WeakPolarHBondContact O-CB 3.32Å; S332-L340 PolarHBondContact O-N 3.04Å; S332-S341 PolarHBondContact O-N 2.91Å; S332-S341 PolarHBondContact O-OG 3.04Å
333P88Confident91.1Very high17 Ų1723.8 Ų23.811%0.1115%0.146CC..  cis-82.9161.6-5.834.7-35.3000113.6V115 F245 M335 M336 S338 S341V115-P333 HydrophobicContact CG1-CG 4.39Å; F245-P333 HydrophobicContact CD1-CB 4.43Å; F245-P333 HydrophobicContact CE1-CB 4.05Å; P333-M335 VanDerWaalsContact C-N 3.28Å; P333-M335 PolarHBondContact O-N 2.83Å; P333-M336 PolarHBondContact O-N 3.5Å; P333-S338 WeakPolarHBondContact CD-O 3.21Å; P333-S338 WeakPolarHBondContact CG-O 3.21Å; P333-S341 VanDerWaalsContact CD-OG 3.29Å; P333-S341 WeakPolarHBondContact CD-OG 3.36Å; P333-S341 WeakPolarHBondContact O-CB 3.49Å; P333-S341 PolarHBondContact O-OG 3.02Å
334G89Confident91.4Very high12 Ų1220.9 Ų20.912%0.12413%0.131CC..THydrogen-bonded Turntrans-63.5-28.2-18000000115.2
335M90.6Very high92Very high18 Ų1817.4 Ų17.49%0.08911%0.106CC..THydrogen-bonded Turntrans-94.31.8-177.6-61.9177.8-172.200114P46 F245 P333 Q337 V363 T366 A368P46-M335 HydrophobicContact CB-CE 4.19Å; P46-M335 HydrophobicContact CB-SD 3.54Å; P46-M335 VanDerWaalsContact CB-SD 3.54Å; P46-M335 HydrophobicContact CG-CE 4.2Å; P46-M335 HydrophobicContact CG-SD 4.2Å; F245-M335 HydrophobicContact CE2-CE 4.42Å; F245-M335 HydrophobicContact CZ-CE 4.44Å; F245-M335 HydrophobicContact CZ-CG 4.49Å; P333-M335 VanDerWaalsContact C-N 3.28Å; P333-M335 PolarHBondContact O-N 2.83Å; M335-Q337 VanDerWaalsContact C-N 3.27Å; M335-Q337 HydrophobicContact CB-CG 4.43Å; M335-Q337 PolarHBondContact O-N 2.96Å; M335-V363 HydrophobicContact CE-CB 4.29Å; M335-V363 HydrophobicContact CE-CG2 3.65Å; M335-V363 HydrophobicContact SD-CB 4.25Å; M335-V363 HydrophobicContact SD-CG2 4.23Å; M335-T366 HydrophobicContact CB-CG2 3.89Å; M335-T366 HydrophobicContact CG-CG2 4.22Å; M335-T366 HydrophobicContact SD-CG2 3.73Å; M335-A368 HydrophobicContact CB-CB 4.47Å; M335-A368 PolarHBondContact O-N 2.97Å
336M92.1Very high92.2Very high0 Ų017.5 Ų17.50%010%0.099CC..  trans53.833.1174.7-56.2-178.8-68.800115.7L241 P243 P333 R342 F345 V356 I358 L367 A368 I371L241-M336 HydrophobicContact CD2-SD 4.32Å; P243-M336 HydrophobicContact CB-CG 3.61Å; P243-M336 HydrophobicContact CB-SD 3.94Å; P243-M336 HydrophobicContact CG-CE 4.32Å; P243-M336 HydrophobicContact CG-CG 4.08Å; P243-M336 HydrophobicContact CG-SD 3.83Å; P333-M336 PolarHBondContact O-N 3.5Å; M336-R342 WeakPolarHBondContact O-CD 3.16Å; M336-R342 PolarHBondContact O-NH1 3.23Å; M336-F345 HydrophobicContact SD-CB 4.14Å; M336-F345 HydrophobicContact SD-CD2 4.24Å; M336-F345 HydrophobicContact SD-CG 4.18Å; M336-V356 HydrophobicContact SD-CG2 4.32Å; M336-I358 HydrophobicContact CE-CD1 3.7Å; M336-L367 HydrophobicContact CB-CB 4.33Å; M336-L367 HydrophobicContact CB-CD2 3.98Å; M336-L367 HydrophobicContact CB-CG 4.49Å; M336-A368 HydrophobicContact CE-CB 3.78Å; M336-I371 HydrophobicContact CE-CD1 3.58Å; M336-I371 HydrophobicContact CE-CG1 4.29Å
337Q87Confident92.1Very high62 Ų6220.2 Ų20.229%0.2911%0.111SC..SBendtrans-70.5-36.1178.8-65.3-70.533.500112.9M335 R342 G365 T366M335-Q337 VanDerWaalsContact C-N 3.27Å; M335-Q337 HydrophobicContact CB-CG 4.43Å; M335-Q337 PolarHBondContact O-N 2.96Å; Q337-R342 PolarHBondContact O-NH1 3.3Å; Q337-G365 PolarHBondContact NE2-O 3.28Å; Q337-G365 VanDerWaalsContact NE2-O 3.1Å; Q337-T366 HydrophobicContact CG-CG2 4.43Å; Q337-T366 VanDerWaalsContact NE2-CA 3.27Å; Q337-T366 VanDerWaalsContact NE2-CG2 3.28Å
338S86.6Confident92Very high28 Ų2820.5 Ų20.520%0.19611%0.112CC..SBendtrans-159.2-173.4178.561.10000109.5V115 P333V115-S338 VanDerWaalsContact CG1-OG 3.22Å; V115-S338 WeakPolarHBondContact CG1-OG 3.17Å; V115-S338 PolarHBondContact O-OG 2.8Å; P333-S338 WeakPolarHBondContact CD-O 3.21Å; P333-S338 WeakPolarHBondContact CG-O 3.21Å
339G87.4Confident92Very high14 Ų1420.5 Ų20.514%0.14411%0.112CC..Hα-helixtrans74.4-165.7172.300000114.4S341 R342 E343G339-S341 PolarHBondContact O-N 3Å; G339-R342 WeakPolarHBondContact O-CB 3.35Å; G339-R342 PolarHBondContact O-N 2.8Å; G339-R342 VanDerWaalsContact O-N 3.11Å; G339-E343 PolarHBondContact O-N 2.53Å
340L88.9Confident92.1Very high28 Ų2823.2 Ų23.215%0.14713%0.129CC..Hα-helixtrans-66.1-37.2-166.3-175.758.3000113.4A275 I318 A331 S332 R342 E343 L344A275-L340 HydrophobicContact CB-CD2 3.5Å; A275-L340 VanDerWaalsContact CB-CD2 3.5Å; I318-L340 HydrophobicContact CB-CD1 3.81Å; I318-L340 HydrophobicContact CD1-CD1 4.4Å; I318-L340 HydrophobicContact CG1-CD1 4.42Å; A331-L340 HydrophobicContact CB-CG 4.29Å; S332-L340 PolarHBondContact O-N 3.04Å; L340-R342 VanDerWaalsContact C-N 3.26Å; L340-R342 PolarHBondContact O-N 2.88Å; L340-E343 PolarHBondContact O-N 2.84Å; L340-L344 HydrophobicContact CD1-CD1 4.17Å; L340-L344 HydrophobicContact CD1-CG 4.01Å; L340-L344 HydrophobicContact CG-CD1 3.96Å; L340-L344 HydrophobicContact CG-CG 4.29Å; L340-L344 WeakPolarHBondContact O-CB 3.43Å; L340-L344 VanDerWaalsContact O-CG 3.27Å; L340-L344 WeakPolarHBondContact O-CG 3.23Å; L340-L344 PolarHBondContact O-N 2.88Å
341S92.5Very high92.2Very high0 Ų025.1 Ų25.10%014%0.139CC..Hα-helixtrans-62.7-36.2175.968.60000112L241 A331 S332 P333 G339 F345L241-S341 WeakPolarHBondContact CD2-O 3.5Å; A331-S341 WeakPolarHBondContact O-CB 3.5Å; S332-S341 PolarHBondContact O-N 2.91Å; S332-S341 PolarHBondContact O-OG 3.04Å; P333-S341 VanDerWaalsContact CD-OG 3.29Å; P333-S341 WeakPolarHBondContact CD-OG 3.36Å; P333-S341 WeakPolarHBondContact O-CB 3.49Å; P333-S341 PolarHBondContact O-OG 3.02Å; G339-S341 PolarHBondContact O-N 3Å; S341-F345 VanDerWaalsContact O-CB 3.27Å; S341-F345 WeakPolarHBondContact O-CB 3.4Å; S341-F345 PolarHBondContact O-N 2.78Å
342R93.3Very high92.5Very high20 Ų2032.8 Ų32.88%0.07517%0.172CC..Hα-helixtrans-70-45.2175.7177.254.5171.9-82.60.9111.8M336 Q337 G339 L340 F345 E346 L367 P379 T380 M381M336-R342 WeakPolarHBondContact O-CD 3.16Å; M336-R342 PolarHBondContact O-NH1 3.23Å; Q337-R342 PolarHBondContact O-NH1 3.3Å; G339-R342 WeakPolarHBondContact O-CB 3.35Å; G339-R342 PolarHBondContact O-N 2.8Å; G339-R342 VanDerWaalsContact O-N 3.11Å; L340-R342 VanDerWaalsContact C-N 3.26Å; L340-R342 PolarHBondContact O-N 2.88Å; R342-F345 PolarHBondContact O-N 3.18Å; R342-E346 IonicContact CZ-OE1 2.69Å; R342-E346 IonicContact NE-OE1 3.01Å; R342-E346 PolarHBondContact NE-OE1 3.19Å; R342-E346 IonicContact NH2-OE1 2.76Å; R342-E346 WeakPolarHBondContact O-CG 3.4Å; R342-E346 PolarHBondContact O-N 3.19Å; R342-L367 VanDerWaalsContact CD-CD2 3.45Å; R342-P379 PolarHBondContact NH2-O 3.24Å; R342-T380 VanDerWaalsContact NH2-C 3.33Å; R342-M381 HydrophobicContact CB-SD 4.4Å; R342-M381 HydrophobicContact CG-CE 3.98Å; R342-M381 HydrophobicContact CG-CG 3.7Å; R342-M381 HydrophobicContact CG-SD 3.64Å
343E92.4Very high93Very high73 Ų7337.6 Ų37.634%0.34119%0.188SC..Hα-helixtrans-60.4-46.7177.2-70.4170.6-157.800111.9I318 G339 L340 F345 E346 N347 M381I318-E343 HydrophobicContact CD1-CB 4.49Å; G339-E343 PolarHBondContact O-N 2.53Å; L340-E343 PolarHBondContact O-N 2.84Å; E343-F345 VanDerWaalsContact C-N 3.35Å; E343-F345 PolarHBondContact O-N 2.92Å; E343-E346 PolarHBondContact O-N 3.08Å; E343-N347 VanDerWaalsContact O-CG 3.28Å; E343-N347 PolarHBondContact O-N 3.07Å; E343-N347 PolarHBondContact O-ND2 3.19Å; E343-M381 HydrophobicContact CG-CE 3.86Å
344L94.4Very high93.5Very high2 Ų237 Ų371%0.0118%0.184CC..Hα-helixtrans-63.4-41.1176.2-68.4171.5000111.6L241 I318 F321 V329 A331 L340 N347 W348L241-L344 HydrophobicContact CD1-CB 3.95Å; L241-L344 HydrophobicContact CD1-CD1 4Å; L241-L344 HydrophobicContact CD2-CB 4.46Å; I318-L344 HydrophobicContact CD1-CD2 4.21Å; F321-L344 HydrophobicContact CD1-CD2 4.47Å; F321-L344 HydrophobicContact CE1-CD2 4.43Å; V329-L344 HydrophobicContact CB-CD1 4.23Å; V329-L344 HydrophobicContact CG1-CD1 3.53Å; A331-L344 HydrophobicContact CB-CD1 3.92Å; L340-L344 HydrophobicContact CD1-CD1 4.17Å; L340-L344 HydrophobicContact CD1-CG 4.01Å; L340-L344 HydrophobicContact CG-CD1 3.96Å; L340-L344 HydrophobicContact CG-CG 4.29Å; L340-L344 WeakPolarHBondContact O-CB 3.43Å; L340-L344 VanDerWaalsContact O-CG 3.27Å; L340-L344 WeakPolarHBondContact O-CG 3.23Å; L340-L344 PolarHBondContact O-N 2.88Å; L344-N347 PolarHBondContact O-N 3.32Å; L344-W348 HydrophobicContact CB-CE3 4.35Å; L344-W348 HydrophobicContact CB-CH2 4.45Å; L344-W348 HydrophobicContact CB-CZ3 4.31Å; L344-W348 HydrophobicContact CD1-CH2 4.4Å; L344-W348 HydrophobicContact CD2-CH2 4.08Å; L344-W348 HydrophobicContact CD2-CZ2 3.79Å; L344-W348 VanDerWaalsContact O-CB 3.29Å; L344-W348 WeakPolarHBondContact O-CB 3.38Å; L344-W348 VanDerWaalsContact O-CG 3.23Å; L344-W348 PolarHBondContact O-N 3.31Å
345F96.4Very high93.9Very high4 Ų436.5 Ų36.52%0.01818%0.179CC..Hα-helixtrans-59.9-47.1175.6176-101.9000111.6L241 M336 S341 R342 E343 N347 W348 C349 V356 L367 I371 V378 L388L241-F345 HydrophobicContact CD2-CB 3.65Å; L241-F345 HydrophobicContact CD2-CD2 4.39Å; M336-F345 HydrophobicContact SD-CB 4.14Å; M336-F345 HydrophobicContact SD-CD2 4.24Å; M336-F345 HydrophobicContact SD-CG 4.18Å; S341-F345 VanDerWaalsContact O-CB 3.27Å; S341-F345 WeakPolarHBondContact O-CB 3.4Å; S341-F345 PolarHBondContact O-N 2.78Å; R342-F345 PolarHBondContact O-N 3.18Å; E343-F345 VanDerWaalsContact C-N 3.35Å; E343-F345 PolarHBondContact O-N 2.92Å; F345-N347 VanDerWaalsContact C-N 3.32Å; F345-N347 PolarHBondContact O-N 2.97Å; F345-W348 PolarHBondContact O-N 3.1Å; F345-C349 HydrophobicContact CD2-CB 4.36Å; F345-C349 HydrophobicContact CE1-CB 4.21Å; F345-C349 HydrophobicContact CE2-CB 4Å; F345-C349 HydrophobicContact CZ-CB 3.92Å; F345-C349 WeakPolarHBondContact O-CB 3.33Å; F345-C349 PolarHBondContact O-N 3.39Å; F345-C349 PolarHBondContact O-SG 3.4Å; F345-V356 HydrophobicContact CD2-CG1 4.47Å; F345-V356 HydrophobicContact CE2-CG1 4.18Å; F345-L367 HydrophobicContact CD1-CD2 3.82Å; F345-L367 HydrophobicContact CE1-CD2 3.89Å; F345-I371 HydrophobicContact CE1-CG2 4.4Å; F345-I371 HydrophobicContact CE2-CD1 4.09Å; F345-I371 HydrophobicContact CZ-CD1 4.42Å; F345-I371 HydrophobicContact CZ-CG2 3.8Å; F345-V378 HydrophobicContact CE1-CB 4.34Å; F345-V378 HydrophobicContact CE1-CG1 4.47Å; F345-V378 HydrophobicContact CE1-CG2 3.84Å; F345-V378 HydrophobicContact CZ-CG1 4.38Å; F345-V378 HydrophobicContact CZ-CG2 4.2Å; F345-L388 HydrophobicContact CE2-CD1 4.1Å; F345-L388 HydrophobicContact CZ-CD1 3.84Å
346E96.1Very high94.3Very high31 Ų3135.8 Ų35.815%0.14518%0.176CC..Hα-helixtrans-60.4-41.7177.6-72.6179.3-171.200111.8R342 E343 W348 C349 T380 M381 L386R342-E346 IonicContact CZ-OE1 2.69Å; R342-E346 IonicContact NE-OE1 3.01Å; R342-E346 PolarHBondContact NE-OE1 3.19Å; R342-E346 IonicContact NH2-OE1 2.76Å; R342-E346 WeakPolarHBondContact O-CG 3.4Å; R342-E346 PolarHBondContact O-N 3.19Å; E343-E346 PolarHBondContact O-N 3.08Å; E346-W348 VanDerWaalsContact C-N 3.3Å; E346-W348 PolarHBondContact O-N 3.08Å; E346-C349 PolarHBondContact O-SG 2.74Å; E346-T380 HydrophobicContact CG-CG2 4.19Å; E346-T380 WeakPolarHBondContact OE1-CA 3.4Å; E346-M381 PolarHBondContact OE1-N 3.33Å; E346-L386 HydrophobicContact CB-CD1 4.12Å; E346-L386 HydrophobicContact CG-CD1 4.45Å; E346-L386 WeakPolarHBondContact O-CD1 3.45Å
347N94.5Very high94.6Very high97 Ų9735.8 Ų35.852%0.51918%0.176SC..Hα-helixtrans-66.2-29.9177.5-69.8-17.7000113.4E343 L344 F345E343-N347 VanDerWaalsContact O-CG 3.28Å; E343-N347 PolarHBondContact O-N 3.07Å; E343-N347 PolarHBondContact O-ND2 3.19Å; L344-N347 PolarHBondContact O-N 3.32Å; F345-N347 VanDerWaalsContact C-N 3.32Å; F345-N347 PolarHBondContact O-N 2.97Å
348W96.9Very high95Very high9 Ų932.9 Ų32.93%0.03416%0.162CC..Hα-helixtrans-107.4-20.8-169.4-66.2-11.7000114.8R239 L241 F321 D323 V329 L344 F345 E346 T350 D351 N354R239-W348 HydrophobicContact CB-CD2 3.72Å; R239-W348 HydrophobicContact CB-CE3 3.74Å; R239-W348 HydrophobicContact CB-CG 4.38Å; R239-W348 HydrophobicContact CB-CH2 3.84Å; R239-W348 HydrophobicContact CB-CZ2 3.81Å; R239-W348 HydrophobicContact CB-CZ3 3.81Å; R239-W348 HydrophobicContact CG-CD2 4.31Å; R239-W348 HydrophobicContact CG-CH2 4.38Å; R239-W348 HydrophobicContact CG-CZ2 3.92Å; L241-W348 HydrophobicContact CB-CE3 3.86Å; L241-W348 HydrophobicContact CB-CZ3 3.76Å; L241-W348 HydrophobicContact CD1-CZ3 4.07Å; L241-W348 HydrophobicContact CG-CZ3 4.45Å; F321-W348 AromaticContact CE1-CZ2 3.76Å; F321-W348 HydrophobicContact CE1-CZ2 3.76Å; F321-W348 HydrophobicContact CZ-CH2 4.49Å; F321-W348 AromaticContact CZ-CZ2 3.93Å; F321-W348 HydrophobicContact CZ-CZ2 3.93Å; D323-W348 PolarHBondContact OD2-NE1 3.35Å; V329-W348 HydrophobicContact CB-CH2 3.81Å; V329-W348 HydrophobicContact CB-CZ3 4.27Å; V329-W348 HydrophobicContact CG2-CH2 3.55Å; V329-W348 HydrophobicContact CG2-CZ2 4.4Å; V329-W348 HydrophobicContact CG2-CZ3 4.43Å; L344-W348 HydrophobicContact CB-CE3 4.35Å; L344-W348 HydrophobicContact CB-CH2 4.45Å; L344-W348 HydrophobicContact CB-CZ3 4.31Å; L344-W348 HydrophobicContact CD1-CH2 4.4Å; L344-W348 HydrophobicContact CD2-CH2 4.08Å; L344-W348 HydrophobicContact CD2-CZ2 3.79Å; L344-W348 VanDerWaalsContact O-CB 3.29Å; L344-W348 WeakPolarHBondContact O-CB 3.38Å; L344-W348 VanDerWaalsContact O-CG 3.23Å; L344-W348 PolarHBondContact O-N 3.31Å; F345-W348 PolarHBondContact O-N 3.1Å; E346-W348 VanDerWaalsContact C-N 3.3Å; E346-W348 PolarHBondContact O-N 3.08Å; W348-T350 PolarHBondContact O-N 2.65Å; W348-T350 VanDerWaalsContact O-N 3.1Å; W348-D351 PolarHBondContact O-N 3.09Å; W348-N354 WeakPolarHBondContact CA-ND2 3.44Å; W348-N354 HydrophobicContact CB-CB 4.2Å; W348-N354 VanDerWaalsContact CB-ND2 3.33Å; W348-N354 WeakPolarHBondContact CB-ND2 3.34Å; W348-N354 PolarHBondContact O-ND2 2.98Å
349C97.2Very high95.3Very high1 Ų131.7 Ų31.71%0.00715%0.154CC..THydrogen-bonded Turntrans-61.4-24.6-171.664.70000113.7F345 E346 L388 K389 C390F345-C349 HydrophobicContact CD2-CB 4.36Å; F345-C349 HydrophobicContact CE1-CB 4.21Å; F345-C349 HydrophobicContact CE2-CB 4Å; F345-C349 HydrophobicContact CZ-CB 3.92Å; F345-C349 WeakPolarHBondContact O-CB 3.33Å; F345-C349 PolarHBondContact O-N 3.39Å; F345-C349 PolarHBondContact O-SG 3.4Å; E346-C349 PolarHBondContact O-SG 2.74Å; C349-L388 HydrophobicContact CB-CD1 4.2Å; C349-K389 PolarHBondContact O-N 3.17Å; C349-C390 PolarHBondContact O-N 3.45Å
350T97.4Very high95.4Very high57 Ų5732.4 Ų32.435%0.3516%0.161SC..THydrogen-bonded Turntrans-84-4.7-17763.60000114.8W348 L386 P387 K389W348-T350 PolarHBondContact O-N 2.65Å; W348-T350 VanDerWaalsContact O-N 3.1Å; T350-L386 HydrophobicContact CG2-CB 4.11Å; T350-L386 HydrophobicContact CG2-CD2 4.3Å; T350-P387 HydrophobicContact CG2-CG 3.91Å; T350-K389 WeakPolarHBondContact O-CD 3.45Å
351D97.4Very high95.3Very high42 Ų4233.7 Ų33.723%0.22517%0.165CC..  trans-109123.4177-170.2-23.6000111W348 R353 N354 C390W348-D351 PolarHBondContact O-N 3.09Å; D351-R353 PolarHBondContact O-N 3.08Å; D351-R353 WeakPolarHBondContact OD1-CB 3.43Å; D351-R353 WeakPolarHBondContact OD1-CG 3.23Å; D351-R353 PolarHBondContact OD1-N 2.93Å; D351-R353 IonicContact OD1-NE 3.51Å; D351-R353 PolarHBondContact OD1-NE 2.95Å; D351-R353 IonicContact OD2-CZ 2.66Å; D351-R353 VanDerWaalsContact OD2-CZ 3.26Å; D351-R353 IonicContact OD2-NE 3.92Å; D351-R353 PolarHBondContact OD2-NE 2.83Å; D351-R353 IonicContact OD2-NH2 3.03Å; D351-R353 PolarHBondContact OD2-NH2 3.21Å; D351-N354 WeakPolarHBondContact O-CB 3.48Å; D351-N354 PolarHBondContact O-N 2.72Å; D351-N354 VanDerWaalsContact O-N 3.08Å; D351-C390 WeakPolarHBondContact O-CA 3.48Å
352K97.5Very high95.2Very high163 Ų16334.1 Ų34.171%0.70917%0.167SC*.THydrogen-bonded Turntrans-64.8-16.3179.967.8178.3-1771760114.7N354 K389K352-N354 VanDerWaalsContact C-N 3.34Å; K352-K389 WeakPolarHBondContact CA-O 3.35Å; K352-K389 HydrophobicContact CB-CB 4.45Å
353R97.6Very high94.8Very high111 Ų11133.4 Ų33.442%0.41917%0.165SC..THydrogen-bonded Turntrans-74.9-28.9174.7-63176.7-66.9170.83111.1R236 G238 D351R236-R353 PolarHBondContact NE-O 3.02Å; R236-R353 PolarHBondContact NH2-O 3.3Å; G238-R353 VanDerWaalsContact CA-O 3.27Å; G238-R353 WeakPolarHBondContact CA-O 3.14Å; D351-R353 PolarHBondContact O-N 3.08Å; D351-R353 WeakPolarHBondContact OD1-CB 3.43Å; D351-R353 WeakPolarHBondContact OD1-CG 3.23Å; D351-R353 PolarHBondContact OD1-N 2.93Å; D351-R353 IonicContact OD1-NE 3.51Å; D351-R353 PolarHBondContact OD1-NE 2.95Å; D351-R353 IonicContact OD2-CZ 2.66Å; D351-R353 VanDerWaalsContact OD2-CZ 3.26Å; D351-R353 IonicContact OD2-NE 3.92Å; D351-R353 PolarHBondContact OD2-NE 2.83Å; D351-R353 IonicContact OD2-NH2 3.03Å; D351-R353 PolarHBondContact OD2-NH2 3.21Å
354N98.3Very high94.4Very high4 Ų435.6 Ų35.62%0.02118%0.175CC..  trans-75.9163-177.7-61.1-19.9000111.1R236 R239 W348 D351 K352 C390 S391R236-N354 PolarHBondContact NH2-O 3.26Å; R239-N354 WeakPolarHBondContact CD-OD1 3.17Å; R239-N354 PolarHBondContact N-OD1 3.33Å; R239-N354 WeakPolarHBondContact O-CA 3.49Å; R239-N354 WeakPolarHBondContact O-CB 3.43Å; W348-N354 WeakPolarHBondContact CA-ND2 3.44Å; W348-N354 HydrophobicContact CB-CB 4.2Å; W348-N354 VanDerWaalsContact CB-ND2 3.33Å; W348-N354 WeakPolarHBondContact CB-ND2 3.34Å; W348-N354 PolarHBondContact O-ND2 2.98Å; D351-N354 WeakPolarHBondContact O-CB 3.48Å; D351-N354 PolarHBondContact O-N 2.72Å; D351-N354 VanDerWaalsContact O-N 3.08Å; K352-N354 VanDerWaalsContact C-N 3.34Å; N354-C390 HydrophobicContact CB-CB 3.99Å; N354-C390 WeakPolarHBondContact O-CA 2.8Å; N354-C390 VanDerWaalsContact O-CB 3.3Å; N354-C390 WeakPolarHBondContact O-CB 3.46Å; N354-S391 PolarHBondContact O-N 3.05Å; N354-S391 VanDerWaalsContact O-N 3.08Å
355G98.1Very high94Very high3 Ų338.3 Ų38.33%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-146.9149.5174.800000111.4R239 C240 L241 S391R239-G355 PolarHBondContact O-N 2.77Å; C240-G355 WeakPolarHBondContact CA-O 3.23Å; L241-G355 PolarHBondContact N-O 2.84Å; G355-S391 CarbonylContact C-O 3.56Å; G355-S391 VanDerWaalsContact CA-O 3.31Å; G355-S391 WeakPolarHBondContact CA-O 3.22Å; G355-S391 WeakPolarHBondContact CA-OG 3.38Å
356V98.1Very high93.7Very high2 Ų238.3 Ų38.31%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-119.612617260.30000109.3L241 P243 M336 F345 I358 I371 S391 V392 D393L241-V356 HydrophobicContact CB-CB 4.36Å; L241-V356 HydrophobicContact CB-CG2 4.25Å; L241-V356 HydrophobicContact CD2-CG2 4.17Å; L241-V356 HydrophobicContact CG-CG2 4.31Å; L241-V356 CarbonylContact O-C 3.57Å; L241-V356 VanDerWaalsContact O-CA 3.3Å; L241-V356 WeakPolarHBondContact O-CA 3.42Å; P243-V356 HydrophobicContact CG-CG2 4.09Å; M336-V356 HydrophobicContact SD-CG2 4.32Å; F345-V356 HydrophobicContact CD2-CG1 4.47Å; F345-V356 HydrophobicContact CE2-CG1 4.18Å; V356-I358 HydrophobicContact CG2-CD1 3.87Å; V356-I371 HydrophobicContact CG1-CD1 3.83Å; V356-S391 PolarHBondContact N-O 3.34Å; V356-V392 HydrophobicContact CG1-CB 4.11Å; V356-V392 HydrophobicContact CG1-CG1 4.12Å; V356-V392 HydrophobicContact CG1-CG2 3.72Å; V356-D393 PolarHBondContact O-N 2.94Å
357I97.8Very high93.6Very high0 Ų037.1 Ų37.10%020%0.199CC..EExtended strand (participates in β ladder)trans-111.1107.4179.3-55.5177.6000108.8F226 L229 V230 I233 L241 I242 P243 A359 D393 I395F226-I357 HydrophobicContact CD2-CD1 4.46Å; F226-I357 HydrophobicContact CD2-CG2 4.12Å; F226-I357 HydrophobicContact CE2-CD1 4.44Å; F226-I357 HydrophobicContact CE2-CG2 4.26Å; L229-I357 HydrophobicContact CB-CD1 4.08Å; V230-I357 HydrophobicContact CG2-CD1 3.56Å; I233-I357 HydrophobicContact CD1-CD1 4.1Å; I233-I357 HydrophobicContact CD1-CG1 4.21Å; L241-I357 PolarHBondContact O-N 3.33Å; I242-I357 HydrophobicContact CG1-CB 4.46Å; P243-I357 WeakPolarHBondContact CD-O 3.48Å; I357-A359 PolarHBondContact O-N 2.98Å; I357-D393 CarbonylContact C-O 3.58Å; I357-D393 WeakPolarHBondContact CA-O 3.41Å; I357-D393 HydrophobicContact CG1-CB 4.44Å; I357-I395 HydrophobicContact CG2-CD1 4.04Å; I357-I395 HydrophobicContact CG2-CG1 4.3Å
358I96.2Very high93.6Very high2 Ų232.5 Ų32.51%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-81112.4176.3-56.5-53.4000109P243 M336 V356 C362 A368 I371 L372 D393 Y394 I395P243-I358 HydrophobicContact CG-CD1 3.39Å; M336-I358 HydrophobicContact CE-CD1 3.7Å; V356-I358 HydrophobicContact CG2-CD1 3.87Å; I358-C362 WeakPolarHBondContact CG2-SG 3.47Å; I358-A368 HydrophobicContact CD1-CB 4.29Å; I358-I371 HydrophobicContact CD1-CD1 4.23Å; I358-I371 HydrophobicContact CG1-CD1 4.42Å; I358-L372 HydrophobicContact CG1-CD2 4.28Å; I358-D393 PolarHBondContact N-O 3.35Å; I358-Y394 HydrophobicContact CB-CD2 3.99Å; I358-Y394 HydrophobicContact CG2-CD2 3.77Å; I358-Y394 HydrophobicContact CG2-CE2 4.11Å; I358-Y394 WeakPolarHBondContact O-CD2 3.44Å; I358-I395 PolarHBondContact O-N 3.44Å; I358-I395 VanDerWaalsContact O-N 3.07Å
359A93.5Very high93.4Very high3 Ų335.5 Ų35.53%0.02519%0.188CC..  trans-101.8-12.9-174.300000115.1L253 I357 I395 F397L253-A359 HydrophobicContact CD1-CB 3.69Å; L253-A359 HydrophobicContact CD2-CB 4.39Å; I357-A359 PolarHBondContact O-N 2.98Å; A359-I395 VanDerWaalsContact CA-O 3.3Å; A359-I395 WeakPolarHBondContact CA-O 3.23Å; A359-F397 HydrophobicContact CB-CD2 4.35Å; A359-F397 CarbonylContact O-C 3.59Å; A359-F397 WeakPolarHBondContact O-CA 3.38Å; A359-F397 PolarHBondContact O-N 3Å
360G89.4Confident93.2Very high28 Ų2839.3 Ų39.329%0.28921%0.205SC..SBendtrans-114.7170.4-177.600000113.1Y394G360-Y394 WeakPolarHBondContact O-CE2 3.15Å
361Y87.2Confident93.2Very high56 Ų5636.6 Ų36.622%0.2219%0.189CC..  trans-64.5135.6171.2-175.1-86.8000110.7V24 T210 V363V24-Y361 HydrophobicContact CB-CE1 3.98Å; V24-Y361 HydrophobicContact CG1-CD1 4.05Å; V24-Y361 HydrophobicContact CG1-CE1 3.78Å; V24-Y361 HydrophobicContact CG2-CE1 4.01Å; T210-Y361 HydrophobicContact CG2-CD2 3.75Å; T210-Y361 HydrophobicContact CG2-CE2 3.99Å; T210-Y361 HydrophobicContact CG2-CG 4.19Å; Y361-V363 HydrophobicContact CD1-CG2 4.22Å; Y361-V363 HydrophobicContact CE1-CG2 4.21Å
362C89.6Confident93.1Very high8 Ų837.4 Ų37.45%0.05419%0.193CC..  trans-106.7113.1179.7-67.50000110.7I358 A368 K369 L372I358-C362 WeakPolarHBondContact CG2-SG 3.47Å; C362-A368 HydrophobicContact CB-CB 4.46Å; C362-A368 VanDerWaalsContact SG-CB 3.52Å; C362-K369 HydrophobicContact CB-CB 3.9Å; C362-K369 HydrophobicContact CB-CD 4.09Å; C362-L372 HydrophobicContact CB-CD1 4.45Å
363V85.5Confident92.9Very high5 Ų533.9 Ų33.93%0.0319%0.188CC..  trans-69.7144.5175.1179.70000110.3V24 P46 M335 Y361 T366 K369V24-V363 HydrophobicContact CG1-CG2 4.1Å; P46-V363 HydrophobicContact CG-CG2 4.41Å; M335-V363 HydrophobicContact CE-CB 4.29Å; M335-V363 HydrophobicContact CE-CG2 3.65Å; M335-V363 HydrophobicContact SD-CB 4.25Å; M335-V363 HydrophobicContact SD-CG2 4.23Å; Y361-V363 HydrophobicContact CD1-CG2 4.22Å; Y361-V363 HydrophobicContact CE1-CG2 4.21Å; V363-T366 HydrophobicContact CB-CG2 4.27Å; V363-T366 WeakPolarHBondContact O-CB 3.21Å; V363-T366 VanDerWaalsContact O-CG2 3.23Å; V363-T366 WeakPolarHBondContact O-CG2 3.31Å; V363-T366 PolarHBondContact O-N 3.13Å; V363-T366 PolarHBondContact O-OG1 3.38Å; V363-K369 WeakPolarHBondContact O-CB 3.35Å
364E84.4Confident92.8Very high119 Ų11934.1 Ų34.156%0.55620%0.198SC*.THydrogen-bonded Turntrans-56.2144.1173.6-71.6-63.2161.700112K369E364-K369 WeakPolarHBondContact OE1-CE 3.17Å; E364-K369 IonicContact OE1-NZ 2.76Å
365G85.3Confident92.7Very high60 Ų6035.4 Ų35.462%0.61921%0.206SC*.THydrogen-bonded Turntrans81.611.3-175.400000115.1Q337Q337-G365 PolarHBondContact NE2-O 3.28Å; Q337-G365 VanDerWaalsContact NE2-O 3.1Å
366T89.7Confident92.6Very high3 Ų341.2 Ų41.22%0.01824%0.241CC..SBendtrans-105.5151175.968.10000113M335 Q337 V363 A368 K369 Q370M335-T366 HydrophobicContact CB-CG2 3.89Å; M335-T366 HydrophobicContact CG-CG2 4.22Å; M335-T366 HydrophobicContact SD-CG2 3.73Å; Q337-T366 HydrophobicContact CG-CG2 4.43Å; Q337-T366 VanDerWaalsContact NE2-CA 3.27Å; Q337-T366 VanDerWaalsContact NE2-CG2 3.28Å; V363-T366 HydrophobicContact CB-CG2 4.27Å; V363-T366 WeakPolarHBondContact O-CB 3.21Å; V363-T366 VanDerWaalsContact O-CG2 3.23Å; V363-T366 WeakPolarHBondContact O-CG2 3.31Å; V363-T366 PolarHBondContact O-N 3.13Å; V363-T366 PolarHBondContact O-OG1 3.38Å; T366-A368 VanDerWaalsContact C-N 3.26Å; T366-A368 PolarHBondContact O-N 2.95Å; T366-K369 PolarHBondContact O-N 2.99Å; T366-K369 VanDerWaalsContact O-N 3.13Å; T366-K369 WeakPolarHBondContact OG1-CB 3.38Å; T366-K369 PolarHBondContact OG1-N 3.01Å; T366-Q370 PolarHBondContact O-N 3.41Å
367L93.4Very high92.5Very high6 Ų645.5 Ų45.53%0.03126%0.261CS..Hα-helixtrans-58.7-41.9174.4-179.766.3000111.1M336 R342 F345 K369 Q370 I371M336-L367 HydrophobicContact CB-CB 4.33Å; M336-L367 HydrophobicContact CB-CD2 3.98Å; M336-L367 HydrophobicContact CB-CG 4.49Å; R342-L367 VanDerWaalsContact CD-CD2 3.45Å; F345-L367 HydrophobicContact CD1-CD2 3.82Å; F345-L367 HydrophobicContact CE1-CD2 3.89Å; L367-K369 VanDerWaalsContact C-N 3.25Å; L367-K369 PolarHBondContact O-N 3.11Å; L367-Q370 WeakPolarHBondContact O-CB 3.31Å; L367-Q370 PolarHBondContact O-N 2.95Å; L367-Q370 VanDerWaalsContact O-N 3.09Å; L367-I371 HydrophobicContact CD1-CG2 3.93Å; L367-I371 HydrophobicContact CG-CG2 4.22Å; L367-I371 WeakPolarHBondContact O-CG2 3.38Å; L367-I371 PolarHBondContact O-N 2.87Å
368A94.5Very high92.4Very high0 Ų045.6 Ų45.60%026%0.262CS..Hα-helixtrans-58.6-36.5177.400000112.5M335 M336 I358 C362 T366 I371 L372M335-A368 HydrophobicContact CB-CB 4.47Å; M335-A368 PolarHBondContact O-N 2.97Å; M336-A368 HydrophobicContact CE-CB 3.78Å; I358-A368 HydrophobicContact CD1-CB 4.29Å; C362-A368 HydrophobicContact CB-CB 4.46Å; C362-A368 VanDerWaalsContact SG-CB 3.52Å; T366-A368 VanDerWaalsContact C-N 3.26Å; T366-A368 PolarHBondContact O-N 2.95Å; A368-I371 WeakPolarHBondContact O-CG1 3.4Å; A368-L372 WeakPolarHBondContact O-CG 3.5Å
369K93.4Very high92.3Very high72 Ų7247.6 Ų47.631%0.31328%0.275SS..Hα-helixtrans-71.2-42.2173-173.758.3165.4-174.70112.1C362 V363 E364 T366 L367 I371 L372C362-K369 HydrophobicContact CB-CB 3.9Å; C362-K369 HydrophobicContact CB-CD 4.09Å; V363-K369 WeakPolarHBondContact O-CB 3.35Å; E364-K369 WeakPolarHBondContact OE1-CE 3.17Å; E364-K369 IonicContact OE1-NZ 2.76Å; T366-K369 PolarHBondContact O-N 2.99Å; T366-K369 VanDerWaalsContact O-N 3.13Å; T366-K369 WeakPolarHBondContact OG1-CB 3.38Å; T366-K369 PolarHBondContact OG1-N 3.01Å; L367-K369 VanDerWaalsContact C-N 3.25Å; L367-K369 PolarHBondContact O-N 3.11Å; K369-I371 PolarHBondContact O-N 3.35Å; K369-L372 HydrophobicContact CD-CD1 4.39Å; K369-L372 WeakPolarHBondContact O-CB 3.35Å; K369-L372 PolarHBondContact O-N 3.12Å
370Q93.6Very high92.3Very high81 Ų8148 Ų4838%0.37928%0.277SS..Hα-helixtrans-59.1-46.2-179.2-177-177.8-10.900112T366 L367 L372 S373T366-Q370 PolarHBondContact O-N 3.41Å; L367-Q370 WeakPolarHBondContact O-CB 3.31Å; L367-Q370 PolarHBondContact O-N 2.95Å; L367-Q370 VanDerWaalsContact O-N 3.09Å; Q370-L372 PolarHBondContact O-N 3.5Å; Q370-S373 PolarHBondContact O-N 3.28Å; Q370-S373 VanDerWaalsContact O-N 3.15Å; Q370-S373 PolarHBondContact O-OG 3.01Å
371I96.4Very high92.2Very high0 Ų051 Ų510%028%0.284CS..Hα-helixtrans-69.4-19.2-175.265.4162.9000113.7M336 F345 V356 I358 L367 A368 K369 S373 L374 V378 L388 V392M336-I371 HydrophobicContact CE-CD1 3.58Å; M336-I371 HydrophobicContact CE-CG1 4.29Å; F345-I371 HydrophobicContact CE1-CG2 4.4Å; F345-I371 HydrophobicContact CE2-CD1 4.09Å; F345-I371 HydrophobicContact CZ-CD1 4.42Å; F345-I371 HydrophobicContact CZ-CG2 3.8Å; V356-I371 HydrophobicContact CG1-CD1 3.83Å; I358-I371 HydrophobicContact CD1-CD1 4.23Å; I358-I371 HydrophobicContact CG1-CD1 4.42Å; L367-I371 HydrophobicContact CD1-CG2 3.93Å; L367-I371 HydrophobicContact CG-CG2 4.22Å; L367-I371 WeakPolarHBondContact O-CG2 3.38Å; L367-I371 PolarHBondContact O-N 2.87Å; A368-I371 WeakPolarHBondContact O-CG1 3.4Å; K369-I371 PolarHBondContact O-N 3.35Å; I371-S373 PolarHBondContact O-N 3.3Å; I371-L374 PolarHBondContact O-N 3.1Å; I371-V378 HydrophobicContact CG2-CG1 3.87Å; I371-L388 HydrophobicContact CB-CD2 4.47Å; I371-V392 HydrophobicContact CB-CG1 4.41Å; I371-V392 HydrophobicContact CB-CG2 4.5Å; I371-V392 HydrophobicContact CD1-CG1 3.73Å; I371-V392 HydrophobicContact CD1-CG2 4.19Å; I371-V392 HydrophobicContact CG1-CG1 3.96Å
372L95.1Very high92.4Very high59 Ų5953.3 Ų53.331%0.30931%0.309SS..THydrogen-bonded Turntrans-65.8-21.5174.2-64.4176.7000112.5I358 C362 A368 K369 Q370 L374 V392 Y394I358-L372 HydrophobicContact CG1-CD2 4.28Å; C362-L372 HydrophobicContact CB-CD1 4.45Å; A368-L372 WeakPolarHBondContact O-CG 3.5Å; K369-L372 HydrophobicContact CD-CD1 4.39Å; K369-L372 WeakPolarHBondContact O-CB 3.35Å; K369-L372 PolarHBondContact O-N 3.12Å; Q370-L372 PolarHBondContact O-N 3.5Å; L372-L374 PolarHBondContact O-N 3.2Å; L372-V392 HydrophobicContact CD2-CG1 4.17Å; L372-Y394 HydrophobicContact CD1-CD2 4.41Å; L372-Y394 HydrophobicContact CD2-CD2 4.42Å; L372-Y394 HydrophobicContact CD2-CG 4.45Å
373S94.3Very high92.4Very high89 Ų8955.7 Ų55.762%0.62234%0.335SS*.THydrogen-bonded Turntrans-78.3-1.9172700000113.8Q370 I371Q370-S373 PolarHBondContact O-N 3.28Å; Q370-S373 VanDerWaalsContact O-N 3.15Å; Q370-S373 PolarHBondContact O-OG 3.01Å; I371-S373 PolarHBondContact O-N 3.3Å
374L94.9Very high92.8Very high117 Ų11761.1 Ų61.161%0.61336%0.36SS*.  trans52.456.7-176.8-57.5175.3000113.1I371 L372 V392I371-L374 PolarHBondContact O-N 3.1Å; L372-L374 PolarHBondContact O-N 3.2Å; L374-V392 HydrophobicContact CD2-CB 3.83Å; L374-V392 HydrophobicContact CD2-CG2 4.17Å
375P95.5Very high93.4Very high30 Ų3059.8 Ų59.820%0.19536%0.355CS..  trans-64.3151.417731.3-36.6000110.7E377 V378 L388P375-E377 VanDerWaalsContact C-N 3.28Å; P375-E377 PolarHBondContact O-N 3.24Å; P375-V378 HydrophobicContact CG-CG1 3.93Å; P375-L388 HydrophobicContact CG-CD2 4.08Å; P375-L388 WeakPolarHBondContact O-CB 3.46Å; P375-L388 WeakPolarHBondContact O-CD2 3.31Å
376T96Very high93.9Very high126 Ų12658.2 Ų58.277%0.77333%0.332SS*.SBendtrans-66.3-33178.252.10000112.6L388T376-L388 PolarHBondContact O-N 3.05Å; T376-L388 VanDerWaalsContact O-N 3.08Å
377E96.4Very high94.3Very high92 Ų9260.3 Ų60.343%0.4335%0.346SS..EExtended strand (participates in β ladder)trans-138.2151.6179.9-60.5-176.5158.600110.7P375 M385 L386P375-E377 VanDerWaalsContact C-N 3.28Å; P375-E377 PolarHBondContact O-N 3.24Å; E377-M385 HydrophobicContact CB-CB 4.33Å; E377-M385 HydrophobicContact CB-CE 3.7Å; E377-M385 WeakPolarHBondContact OE2-CB 3.29Å; E377-L386 CarbonylContact C-O 3.53Å; E377-L386 WeakPolarHBondContact CA-O 3.4Å
378V95.4Very high94.5Very high2 Ų261.3 Ų61.31%0.01235%0.351CS..EExtended strand (participates in β ladder)trans-124.1138.2178.5-68.90000110.1F345 I371 P375 L386 L388F345-V378 HydrophobicContact CE1-CB 4.34Å; F345-V378 HydrophobicContact CE1-CG1 4.47Å; F345-V378 HydrophobicContact CE1-CG2 3.84Å; F345-V378 HydrophobicContact CZ-CG1 4.38Å; F345-V378 HydrophobicContact CZ-CG2 4.2Å; I371-V378 HydrophobicContact CG2-CG1 3.87Å; P375-V378 HydrophobicContact CG-CG1 3.93Å; V378-L386 HydrophobicContact CG2-CB 4.29Å; V378-L386 PolarHBondContact N-O 3.29Å; V378-L386 PolarHBondContact O-N 3.17Å; V378-L388 HydrophobicContact CG1-CB 4.36Å; V378-L388 HydrophobicContact CG1-CD2 4.36Å
379P94.3Very high94.6Very high44 Ų4467.4 Ų67.429%0.28638%0.377SS..EExtended strand (participates in β ladder)trans-75.1135.9176.529.7-33.4000111.2R342 Q384 M385R342-P379 PolarHBondContact NH2-O 3.24Å; P379-Q384 CarbonylContact C-O 3.58Å; P379-Q384 WeakPolarHBondContact CA-O 3.29Å; P379-M385 HydrophobicContact CB-SD 3.91Å
380T93.6Very high94.8Very high10 Ų1064.6 Ų64.66%0.06137%0.366CS..  trans-78166.6169.866.80000111.3R342 E346 S382 G383 Q384 L386R342-T380 VanDerWaalsContact NH2-C 3.33Å; E346-T380 HydrophobicContact CG-CG2 4.19Å; E346-T380 WeakPolarHBondContact OE1-CA 3.4Å; T380-S382 PolarHBondContact O-N 2.87Å; T380-S382 PolarHBondContact OG1-N 2.92Å; T380-S382 PolarHBondContact OG1-OG 3.36Å; T380-G383 PolarHBondContact O-N 2.9Å; T380-G383 PolarHBondContact OG1-N 3.09Å; T380-Q384 HydrophobicContact CG2-CB 4.15Å; T380-Q384 WeakPolarHBondContact CG2-O 3.1Å; T380-Q384 PolarHBondContact N-O 3.33Å; T380-Q384 WeakPolarHBondContact OG1-CB 3.41Å; T380-Q384 PolarHBondContact OG1-N 3.4Å; T380-Q384 PolarHBondContact OG1-O 3.44Å; T380-L386 HydrophobicContact CG2-CD1 3.44Å; T380-L386 VanDerWaalsContact CG2-CD1 3.44Å; T380-L386 HydrophobicContact CG2-CD2 4.44Å; T380-L386 HydrophobicContact CG2-CG 3.54Å
381M88.8Confident95Very high92 Ų9262.2 Ų62.245%0.45336%0.359SS..THydrogen-bonded Turntrans-60.1-27.7170.8-66.9-171.1-66.500112.6R342 E343 E346 G383R342-M381 HydrophobicContact CB-SD 4.4Å; R342-M381 HydrophobicContact CG-CE 3.98Å; R342-M381 HydrophobicContact CG-CG 3.7Å; R342-M381 HydrophobicContact CG-SD 3.64Å; E343-M381 HydrophobicContact CG-CE 3.86Å; E346-M381 PolarHBondContact OE1-N 3.33Å; M381-G383 VanDerWaalsContact C-N 3.35Å
382S90.3Very high95.1Very high104 Ų10463.3 Ų63.373%0.72737%0.365SS*.THydrogen-bonded Turntrans-83.3-5.8175.459.30000114.3T380T380-S382 PolarHBondContact O-N 2.87Å; T380-S382 PolarHBondContact OG1-N 2.92Å; T380-S382 PolarHBondContact OG1-OG 3.36Å
383G90.2Very high95.1Very high58 Ų5862.3 Ų62.360%0.59836%0.36SS*.SBendtrans89.84179.800000115.5T380 M381T380-G383 PolarHBondContact O-N 2.9Å; T380-G383 PolarHBondContact OG1-N 3.09Å; M381-G383 VanDerWaalsContact C-N 3.35Å
384Q93.3Very high95.2Very high120 Ų12061.6 Ų61.656%0.56135%0.345SS*.  trans-73.5149.3171.4-178.8176.2-4.700110.3P379 T380P379-Q384 CarbonylContact C-O 3.58Å; P379-Q384 WeakPolarHBondContact CA-O 3.29Å; T380-Q384 HydrophobicContact CG2-CB 4.15Å; T380-Q384 WeakPolarHBondContact CG2-O 3.1Å; T380-Q384 PolarHBondContact N-O 3.33Å; T380-Q384 WeakPolarHBondContact OG1-CB 3.41Å; T380-Q384 PolarHBondContact OG1-N 3.4Å; T380-Q384 PolarHBondContact OG1-O 3.44Å
385M96Very high95.1Very high91 Ų9156.2 Ų56.245%0.44832%0.316SS..EExtended strand (participates in β ladder)trans-94.2128.3170.8-61.1-60.5-7200110E377 P379E377-M385 HydrophobicContact CB-CB 4.33Å; E377-M385 HydrophobicContact CB-CE 3.7Å; E377-M385 WeakPolarHBondContact OE2-CB 3.29Å; P379-M385 HydrophobicContact CB-SD 3.91Å
386L96.7Very high94.9Very high27 Ų2755.3 Ų55.314%0.14131%0.311CS..EExtended strand (participates in β ladder)trans-112139.4174.6-65.5178.9000110.8E346 T350 E377 V378 T380 L388E346-L386 HydrophobicContact CB-CD1 4.12Å; E346-L386 HydrophobicContact CG-CD1 4.45Å; E346-L386 WeakPolarHBondContact O-CD1 3.45Å; T350-L386 HydrophobicContact CG2-CB 4.11Å; T350-L386 HydrophobicContact CG2-CD2 4.3Å; E377-L386 CarbonylContact C-O 3.53Å; E377-L386 WeakPolarHBondContact CA-O 3.4Å; V378-L386 HydrophobicContact CG2-CB 4.29Å; V378-L386 PolarHBondContact N-O 3.29Å; V378-L386 PolarHBondContact O-N 3.17Å; T380-L386 HydrophobicContact CG2-CD1 3.44Å; T380-L386 VanDerWaalsContact CG2-CD1 3.44Å; T380-L386 HydrophobicContact CG2-CD2 4.44Å; T380-L386 HydrophobicContact CG2-CG 3.54Å; L386-L388 PolarHBondContact O-N 2.9Å
387P97.4Very high94.6Very high47 Ų4749.9 Ų49.931%0.30528%0.277SS..EExtended strand (participates in β ladder)trans-69.7127.717628.2-34.2000111.2T350 K389T350-P387 HydrophobicContact CG2-CG 3.91Å; P387-K389 HydrophobicContact CB-CG 4.44Å; P387-K389 PolarHBondContact O-N 3.41Å
388L97.6Very high94.1Very high27 Ų2745.8 Ų45.814%0.14126%0.258CS..  trans-81.9102.2175.4-176.762.9000109.6F345 C349 I371 P375 T376 V378 L386 V392F345-L388 HydrophobicContact CE2-CD1 4.1Å; F345-L388 HydrophobicContact CZ-CD1 3.84Å; C349-L388 HydrophobicContact CB-CD1 4.2Å; I371-L388 HydrophobicContact CB-CD2 4.47Å; P375-L388 HydrophobicContact CG-CD2 4.08Å; P375-L388 WeakPolarHBondContact O-CB 3.46Å; P375-L388 WeakPolarHBondContact O-CD2 3.31Å; T376-L388 PolarHBondContact O-N 3.05Å; T376-L388 VanDerWaalsContact O-N 3.08Å; V378-L388 HydrophobicContact CG1-CB 4.36Å; V378-L388 HydrophobicContact CG1-CD2 4.36Å; L386-L388 PolarHBondContact O-N 2.9Å; L388-V392 HydrophobicContact CD1-CG2 4.16Å; L388-V392 HydrophobicContact CD2-CG2 4.12Å; L388-V392 HydrophobicContact CG-CG2 4.46Å
389K97.5Very high93.7Very high128 Ų12846 Ų4656%0.55726%0.26SS*.  trans-115-24.3180-65.5-172.1-173.2164.40114C349 T350 K352 P387C349-K389 PolarHBondContact O-N 3.17Å; T350-K389 WeakPolarHBondContact O-CD 3.45Å; K352-K389 WeakPolarHBondContact CA-O 3.35Å; K352-K389 HydrophobicContact CB-CB 4.45Å; P387-K389 HydrophobicContact CB-CG 4.44Å; P387-K389 PolarHBondContact O-N 3.41Å
390C97.4Very high93.6Very high12 Ų1244.6 Ų44.68%0.08125%0.249CC..SBendtrans-62.9157.517567.70000111.3C349 D351 N354C349-C390 PolarHBondContact O-N 3.45Å; D351-C390 WeakPolarHBondContact O-CA 3.48Å; N354-C390 HydrophobicContact CB-CB 3.99Å; N354-C390 WeakPolarHBondContact O-CA 2.8Å; N354-C390 VanDerWaalsContact O-CB 3.3Å; N354-C390 WeakPolarHBondContact O-CB 3.46Å
391S97.8Very high93.6Very high32 Ų3244.3 Ų44.322%0.22425%0.248CC..EExtended strand (participates in β ladder)trans-71.9141.5171.460.70000110.5R236 N354 G355 V356R236-S391 PolarHBondContact NH2-OG 2.59Å; N354-S391 PolarHBondContact O-N 3.05Å; N354-S391 VanDerWaalsContact O-N 3.08Å; G355-S391 CarbonylContact C-O 3.56Å; G355-S391 VanDerWaalsContact CA-O 3.31Å; G355-S391 WeakPolarHBondContact CA-O 3.22Å; G355-S391 WeakPolarHBondContact CA-OG 3.38Å; V356-S391 PolarHBondContact N-O 3.34Å
392V97.7Very high93.8Very high22 Ų2240.1 Ų40.113%0.13323%0.227CC..EExtended strand (participates in β ladder)trans-119.4115.2174.8-1790000107.6V356 I371 L372 L374 L388V356-V392 HydrophobicContact CG1-CB 4.11Å; V356-V392 HydrophobicContact CG1-CG1 4.12Å; V356-V392 HydrophobicContact CG1-CG2 3.72Å; I371-V392 HydrophobicContact CB-CG1 4.41Å; I371-V392 HydrophobicContact CB-CG2 4.5Å; I371-V392 HydrophobicContact CD1-CG1 3.73Å; I371-V392 HydrophobicContact CD1-CG2 4.19Å; I371-V392 HydrophobicContact CG1-CG1 3.96Å; L372-V392 HydrophobicContact CD2-CG1 4.17Å; L374-V392 HydrophobicContact CD2-CB 3.83Å; L374-V392 HydrophobicContact CD2-CG2 4.17Å; L388-V392 HydrophobicContact CD1-CG2 4.16Å; L388-V392 HydrophobicContact CD2-CG2 4.12Å; L388-V392 HydrophobicContact CG-CG2 4.46Å
393D97.1Very high94Very high38 Ų3837.4 Ų37.420%0.20320%0.202CC..EExtended strand (participates in β ladder)trans-121.6140.7-176.7-69.1-80.1000110.3L229 V356 I357 I358L229-D393 HydrophobicContact CD1-CB 4.16Å; V356-D393 PolarHBondContact O-N 2.94Å; I357-D393 CarbonylContact C-O 3.58Å; I357-D393 WeakPolarHBondContact CA-O 3.41Å; I357-D393 HydrophobicContact CG1-CB 4.44Å; I358-D393 PolarHBondContact N-O 3.35Å
394Y94.7Very high94.2Very high75 Ų7540.5 Ų40.529%0.29420%0.2SC..EExtended strand (participates in β ladder)trans-116121.5175.8-179.7-106.5000110.6Y211 R225 I358 G360 L372Y211-Y394 PolarHBondContact OH-OH 3.43Å; R225-Y394 PolarHBondContact NH2-O 3.36Å; I358-Y394 HydrophobicContact CB-CD2 3.99Å; I358-Y394 HydrophobicContact CG2-CD2 3.77Å; I358-Y394 HydrophobicContact CG2-CE2 4.11Å; I358-Y394 WeakPolarHBondContact O-CD2 3.44Å; G360-Y394 WeakPolarHBondContact O-CE2 3.15Å; L372-Y394 HydrophobicContact CD1-CD2 4.41Å; L372-Y394 HydrophobicContact CD2-CD2 4.42Å; L372-Y394 HydrophobicContact CD2-CG 4.45Å
395I93.3Very high94.3Very high3 Ų336.3 Ų36.32%0.01518%0.181CC..  trans-137.8106.6176.8-48.6173.4000107.7R222 R225 F226 L229 I357 I358 A359 F397R222-I395 HydrophobicContact CG-CG2 3.61Å; R225-I395 HydrophobicContact CG-CD1 4.26Å; F226-I395 VanDerWaalsContact CA-CD1 3.48Å; F226-I395 HydrophobicContact CB-CD1 3.9Å; F226-I395 HydrophobicContact CB-CG2 4.48Å; F226-I395 HydrophobicContact CD2-CD1 4.23Å; L229-I395 HydrophobicContact CD1-CD1 3.51Å; L229-I395 HydrophobicContact CD1-CG1 4.23Å; I357-I395 HydrophobicContact CG2-CD1 4.04Å; I357-I395 HydrophobicContact CG2-CG1 4.3Å; I358-I395 PolarHBondContact O-N 3.44Å; I358-I395 VanDerWaalsContact O-N 3.07Å; A359-I395 VanDerWaalsContact CA-O 3.3Å; A359-I395 WeakPolarHBondContact CA-O 3.23Å; I395-F397 HydrophobicContact CB-CE2 4.24Å; I395-F397 HydrophobicContact CG2-CD2 4.19Å; I395-F397 HydrophobicContact CG2-CE2 3.59Å; I395-F397 HydrophobicContact CG2-CZ 4.39Å; I395-F397 WeakPolarHBondContact O-CD2 3.42Å; I395-F397 PolarHBondContact O-N 3.42Å
396S90.8Very high94.2Very high12 Ų1232.2 Ų32.28%0.08416%0.161CC..  trans-73.2114.6-172.7-176.30000113.5Y211 R222 S398Y211-S396 PolarHBondContact OH-OG 3.33Å; R222-S396 WeakPolarHBondContact CD-O 3.5Å; R222-S396 PolarHBondContact NH1-O 2.9Å; R222-S396 VanDerWaalsContact NH1-O 3.15Å; S396-S398 PolarHBondContact OG-N 3.41Å; S396-S398 PolarHBondContact OG-OG 2.9Å
397F91.3Very high94.2Very high12 Ų1231.1 Ų31.15%0.05316%0.156CC..  trans-109.725.4163.1-71.8-90.6000111.1R222 E223 F226 R249 L253 I256 A359 I395 A399R222-F397 HydrophobicContact CG-CE1 4.33Å; R222-F397 HydrophobicContact CG-CE2 4.19Å; R222-F397 HydrophobicContact CG-CZ 3.92Å; E223-F397 HydrophobicContact CG-CE1 4.29Å; F226-F397 HydrophobicContact CB-CE2 3.73Å; F226-F397 HydrophobicContact CB-CZ 3.77Å; F226-F397 HydrophobicContact CD1-CE2 4.45Å; F226-F397 HydrophobicContact CD1-CZ 4.32Å; F226-F397 HydrophobicContact CD2-CE2 4.03Å; F226-F397 AromaticContact CG-CE2 3.82Å; F226-F397 HydrophobicContact CG-CE2 3.82Å; F226-F397 HydrophobicContact CG-CZ 4.01Å; R249-F397 WeakPolarHBondContact CD-O 3.42Å; R249-F397 VanDerWaalsContact CG-O 3.23Å; R249-F397 WeakPolarHBondContact CG-O 3.46Å; L253-F397 HydrophobicContact CD2-CB 4.14Å; L253-F397 HydrophobicContact CD2-CD1 4.1Å; L253-F397 HydrophobicContact CD2-CD2 3.67Å; L253-F397 HydrophobicContact CD2-CE1 4.43Å; L253-F397 HydrophobicContact CD2-CE2 4.02Å; L253-F397 HydrophobicContact CD2-CG 3.7Å; L253-F397 HydrophobicContact CD2-CZ 4.39Å; I256-F397 HydrophobicContact CD1-CD1 4.17Å; I256-F397 HydrophobicContact CD1-CE1 3.55Å; I256-F397 HydrophobicContact CD1-CZ 4.14Å; A359-F397 HydrophobicContact CB-CD2 4.35Å; A359-F397 CarbonylContact O-C 3.59Å; A359-F397 WeakPolarHBondContact O-CA 3.38Å; A359-F397 PolarHBondContact O-N 3Å; I395-F397 HydrophobicContact CB-CE2 4.24Å; I395-F397 HydrophobicContact CG2-CD2 4.19Å; I395-F397 HydrophobicContact CG2-CE2 3.59Å; I395-F397 HydrophobicContact CG2-CZ 4.39Å; I395-F397 WeakPolarHBondContact O-CD2 3.42Å; I395-F397 PolarHBondContact O-N 3.42Å; F397-A399 PolarHBondContact O-N 3.29Å; F397-A399 VanDerWaalsContact O-N 3.17Å
398S84.1Confident94Very high5 Ų530.2 Ų30.24%0.03515%0.152CC..  trans-67.1-14.9-175.361.90000114.3H162 Y211 S396 H400H162-S398 PolarHBondContact CE1-O 3.02Å; H162-S398 PolarHBondContact ND1-O 2.8Å; Y211-S398 WeakPolarHBondContact CE2-OG 3.38Å; Y211-S398 VanDerWaalsContact CZ-OG 3.27Å; Y211-S398 PolarHBondContact OH-OG 3.1Å; S396-S398 PolarHBondContact OG-N 3.41Å; S396-S398 PolarHBondContact OG-OG 2.9Å; S398-H400 PolarHBondContact O-CD2 3.41Å; S398-H400 PolarHBondContact O-N 3.24Å; S398-H400 PolarHBondContact OG-CD2 3.1Å
399A88.2Confident94Very high7 Ų729 Ų296%0.05815%0.145CC..  trans54.349.2178.700000113.6H162 S185 F397H162-A399 PolarHBondContact ND1-O 2.97Å; S185-A399 WeakPolarHBondContact CB-O 3.48Å; F397-A399 PolarHBondContact O-N 3.29Å; F397-A399 VanDerWaalsContact O-N 3.17Å
400H92.5Very high93.9Very high14 Ų1422.9 Ų22.97%0.06512%0.119CC..  trans-105.1168.2167.4-67.1-91.1000109H162 D183 F184 E208 T210 Y211 H216 S398H162-H400 AromaticContact CE1-CE1 3.58Å; H162-H400 AromaticContact CE1-NE2 3.61Å; D183-H400 VanDerWaalsContact CG-CE1 3.47Å; D183-H400 IonicContact OD1-CE1 2.71Å; D183-H400 IonicContact OD2-CE1 3.74Å; D183-H400 PolarHBondContact OD2-CE1 3.13Å; D183-H400 VanDerWaalsContact OD2-CE1 3.25Å; F184-H400 CarbonylContact O-C 3.59Å; F184-H400 WeakPolarHBondContact O-CA 3.43Å; E208-H400 VanDerWaalsContact CD-ND1 3.35Å; E208-H400 IonicContact OE1-CG 3.65Å; E208-H400 IonicContact OE1-ND1 2.74Å; E208-H400 PolarHBondContact OE1-ND1 2.97Å; E208-H400 IonicContact OE2-CE1 3.73Å; E208-H400 IonicContact OE2-CG 3.08Å; E208-H400 IonicContact OE2-ND1 3.69Å; E208-H400 PolarHBondContact OE2-ND1 2.71Å; T210-H400 PolarHBondContact OG1-ND1 3.46Å; Y211-H400 HydrophobicContact CD2-CB 3.61Å; Y211-H400 HydrophobicContact CE2-CB 3.85Å; Y211-H400 AromaticContact CE2-CD2 3.89Å; H216-H400 PolarHBondContact NE2-O 3.45Å; S398-H400 PolarHBondContact O-CD2 3.41Å; S398-H400 PolarHBondContact O-N 3.24Å; S398-H400 PolarHBondContact OG-CD2 3.1Å
401T93.7Very high93.6Very high4 Ų427.7 Ų27.73%0.02514%0.136CC..  trans-74143.1170.6500000112.2F184 R186 Q405 T406F184-T401 HydrophobicContact CD1-CG2 4.2Å; F184-T401 HydrophobicContact CD2-CG2 3.78Å; F184-T401 HydrophobicContact CE1-CG2 3.87Å; F184-T401 VanDerWaalsContact CE1-OG1 3.28Å; F184-T401 WeakPolarHBondContact CE1-OG1 3.12Å; F184-T401 HydrophobicContact CE2-CG2 3.43Å; F184-T401 VanDerWaalsContact CE2-CG2 3.43Å; F184-T401 HydrophobicContact CG-CG2 4.15Å; F184-T401 HydrophobicContact CZ-CG2 3.47Å; F184-T401 VanDerWaalsContact CZ-CG2 3.47Å; F184-T401 WeakPolarHBondContact CZ-OG1 3.49Å; F184-T401 PolarHBondContact O-N 3.38Å; F184-T401 VanDerWaalsContact O-N 3.08Å; R186-T401 HydrophobicContact CB-CG2 4.15Å; R186-T401 HydrophobicContact CG-CG2 3.82Å; T401-Q405 HydrophobicContact CG2-CB 3.81Å; T401-T406 PolarHBondContact OG1-OG1 3.03Å; T401-T406 VanDerWaalsContact OG1-OG1 3.1Å
402D92Very high93.4Very high5 Ų531.6 Ų31.63%0.02715%0.15CC..  trans-89.5-176.616772.26.8000111.2H214 H216 Q404 Q405 T406H214-D402 WeakPolarHBondContact O-CB 3.42Å; H216-D402 HydrophobicContact CB-CB 4.44Å; H216-D402 PolarHBondContact N-OD2 3.4Å; D402-Q404 VanDerWaalsContact C-N 3.34Å; D402-Q404 PolarHBondContact O-N 3.41Å; D402-Q404 PolarHBondContact OD1-N 2.55Å; D402-Q404 VanDerWaalsContact OD1-N 3.13Å; D402-Q405 PolarHBondContact O-N 2.72Å; D402-Q405 WeakPolarHBondContact OD1-CB 3.34Å; D402-Q405 VanDerWaalsContact OD1-CG 3.25Å; D402-Q405 WeakPolarHBondContact OD1-CG 3.24Å; D402-Q405 PolarHBondContact OD1-N 3.5Å; D402-T406 WeakPolarHBondContact O-CB 3.48Å; D402-T406 PolarHBondContact O-N 3.4Å; D402-T406 PolarHBondContact O-OG1 3Å
403Y94.7Very high93.3Very high47 Ų4730.9 Ų30.918%0.18415%0.145CC..Hα-helixtrans-58.1-44.3179.6178.4-100.4000112.8I213 H214 I215 T406 S407 L431 A434 L435 E438I213-Y403 HydrophobicContact CG2-CD2 4.19Å; H214-Y403 PolarHBondContact O-N 3.21Å; I215-Y403 HydrophobicContact CD1-CD1 4.5Å; Y403-T406 PolarHBondContact O-N 3.05Å; Y403-S407 WeakPolarHBondContact O-CB 3.49Å; Y403-S407 PolarHBondContact O-N 3.16Å; Y403-L431 HydrophobicContact CD2-CD1 3.73Å; Y403-L431 HydrophobicContact CE2-CD1 4.04Å; Y403-A434 HydrophobicContact CD2-CB 4.32Å; Y403-A434 HydrophobicContact CE2-CB 3.44Å; Y403-A434 VanDerWaalsContact CE2-CB 3.44Å; Y403-L435 HydrophobicContact CE2-CD2 4.44Å; Y403-E438 PolarHBondContact OH-OE2 3.45Å
404Q94.1Very high93.1Very high123 Ų12333.3 Ų33.358%0.57515%0.154SC*.Hα-helixtrans-65.3-42.7-177.6-801741.400111.2I215 D402 A408I215-Q404 HydrophobicContact CD1-CB 4.3Å; I215-Q404 HydrophobicContact CD1-CG 3.65Å; D402-Q404 VanDerWaalsContact C-N 3.34Å; D402-Q404 PolarHBondContact O-N 3.41Å; D402-Q404 PolarHBondContact OD1-N 2.55Å; D402-Q404 VanDerWaalsContact OD1-N 3.13Å; Q404-A408 WeakPolarHBondContact O-CB 3.45Å; Q404-A408 PolarHBondContact O-N 2.85Å
405Q94.8Very high93.1Very high32 Ų3229.7 Ų29.715%0.1514%0.14CC..Hα-helixtrans-67.9-42.9178-69.4174.718.500112R186 T401 D402 F409R186-Q405 HydrophobicContact CB-CB 4.06Å; R186-Q405 HydrophobicContact CB-CG 4.12Å; T401-Q405 HydrophobicContact CG2-CB 3.81Å; D402-Q405 PolarHBondContact O-N 2.72Å; D402-Q405 WeakPolarHBondContact OD1-CB 3.34Å; D402-Q405 VanDerWaalsContact OD1-CG 3.25Å; D402-Q405 WeakPolarHBondContact OD1-CG 3.24Å; D402-Q405 PolarHBondContact OD1-N 3.5Å; Q405-F409 VanDerWaalsContact O-CB 3.29Å; Q405-F409 WeakPolarHBondContact O-CB 3.46Å; Q405-F409 PolarHBondContact O-N 2.72Å
406T95.8Very high93.1Very high4 Ų431.5 Ų31.53%0.02515%0.153CC..Hα-helixtrans-64-49.4176.8-560000111.1T401 D402 Y403 A408 F409 I410T401-T406 PolarHBondContact OG1-OG1 3.03Å; T401-T406 VanDerWaalsContact OG1-OG1 3.1Å; D402-T406 WeakPolarHBondContact O-CB 3.48Å; D402-T406 PolarHBondContact O-N 3.4Å; D402-T406 PolarHBondContact O-OG1 3Å; Y403-T406 PolarHBondContact O-N 3.05Å; T406-A408 PolarHBondContact O-N 2.86Å; T406-F409 PolarHBondContact O-N 3.49Å; T406-I410 HydrophobicContact CG2-CD1 4Å; T406-I410 WeakPolarHBondContact O-CG1 3.5Å; T406-I410 PolarHBondContact O-N 3.49Å
407S94.8Very high93.4Very high5 Ų533.4 Ų33.44%0.03516%0.159CC..Hα-helixtrans-58-47.3176.21640000111.4Y403 F409 I410 R411 E438Y403-S407 WeakPolarHBondContact O-CB 3.49Å; Y403-S407 PolarHBondContact O-N 3.16Å; S407-F409 PolarHBondContact O-N 3.34Å; S407-I410 PolarHBondContact O-N 3.43Å; S407-R411 WeakPolarHBondContact O-CB 2.84Å; S407-R411 PolarHBondContact O-N 3.5Å; S407-R411 PolarHBondContact OG-NH2 2.86Å; S407-E438 WeakPolarHBondContact CB-OE2 3.4Å; S407-E438 PolarHBondContact OG-OE1 3.45Å; S407-E438 PolarHBondContact OG-OE2 3.38Å
408A94.6Very high93.7Very high28 Ų2832.9 Ų32.923%0.23116%0.156CC..Hα-helixtrans-60-44.9176.200000112.3Q404 T406 I410 R411 E412Q404-A408 WeakPolarHBondContact O-CB 3.45Å; Q404-A408 PolarHBondContact O-N 2.85Å; T406-A408 PolarHBondContact O-N 2.86Å; A408-I410 PolarHBondContact O-N 2.82Å; A408-R411 PolarHBondContact O-N 3.05Å; A408-E412 WeakPolarHBondContact O-CG 3.32Å; A408-E412 PolarHBondContact O-N 3.3Å
409F96.2Very high94.4Very high0 Ų032.6 Ų32.60%016%0.155CC..Hα-helixtrans-60.9-45.3178.6-171.2-108.9000112.5M168 L179 T181 F184 R186 I197 L205 Q405 T406 S407 R411 E412 L413M168-F409 HydrophobicContact CE-CZ 4.38Å; M168-F409 HydrophobicContact SD-CE2 4.37Å; M168-F409 HydrophobicContact SD-CZ 3.75Å; L179-F409 HydrophobicContact CD2-CE1 4.35Å; L179-F409 HydrophobicContact CD2-CZ 4.12Å; T181-F409 HydrophobicContact CG2-CE1 3.9Å; T181-F409 HydrophobicContact CG2-CZ 4.46Å; F184-F409 HydrophobicContact CE2-CB 4.23Å; F184-F409 AromaticContact CE2-CD1 3.75Å; F184-F409 HydrophobicContact CE2-CD1 3.75Å; F184-F409 AromaticContact CE2-CD2 3.99Å; F184-F409 HydrophobicContact CE2-CD2 3.99Å; F184-F409 AromaticContact CE2-CE1 3.99Å; F184-F409 HydrophobicContact CE2-CE1 3.99Å; F184-F409 HydrophobicContact CE2-CE2 4.22Å; F184-F409 AromaticContact CE2-CG 3.74Å; F184-F409 HydrophobicContact CE2-CG 3.74Å; F184-F409 HydrophobicContact CE2-CZ 4.22Å; F184-F409 HydrophobicContact CZ-CB 4.47Å; F184-F409 AromaticContact CZ-CD1 3.87Å; F184-F409 HydrophobicContact CZ-CD1 3.87Å; F184-F409 HydrophobicContact CZ-CE1 4.26Å; F184-F409 HydrophobicContact CZ-CG 4.17Å; R186-F409 HydrophobicContact CG-CD2 4.47Å; I197-F409 HydrophobicContact CG1-CD2 4.05Å; I197-F409 HydrophobicContact CG1-CE2 3.99Å; L205-F409 HydrophobicContact CD1-CE1 4.16Å; L205-F409 HydrophobicContact CD2-CD1 4.43Å; Q405-F409 VanDerWaalsContact O-CB 3.29Å; Q405-F409 WeakPolarHBondContact O-CB 3.46Å; Q405-F409 PolarHBondContact O-N 2.72Å; T406-F409 PolarHBondContact O-N 3.49Å; S407-F409 PolarHBondContact O-N 3.34Å; F409-R411 VanDerWaalsContact C-N 3.33Å; F409-R411 PolarHBondContact O-N 2.78Å; F409-E412 PolarHBondContact O-N 3.27Å; F409-L413 HydrophobicContact CD1-CD1 3.74Å; F409-L413 HydrophobicContact CD2-CD1 4.5Å; F409-L413 HydrophobicContact CE1-CD1 3.31Å; F409-L413 HydrophobicContact CE1-CG 4.47Å; F409-L413 HydrophobicContact CE2-CD1 4.15Å; F409-L413 HydrophobicContact CG-CD1 4.33Å; F409-L413 HydrophobicContact CZ-CD1 3.55Å; F409-L413 HydrophobicContact CZ-CG 4.46Å; F409-L413 WeakPolarHBondContact O-CB 3.22Å; F409-L413 WeakPolarHBondContact O-CG 3.28Å; F409-L413 PolarHBondContact O-N 3.34Å
410I95.3Very high94.9Very high1 Ų132.3 Ų32.31%0.00515%0.152CC..Hα-helixtrans-63.9-39.8176.2-64.1171.7000110.6L205 T406 S407 A408 L413 K414 P415 V418 L435 Y439 L447L205-I410 HydrophobicContact CD2-CG1 3.8Å; T406-I410 HydrophobicContact CG2-CD1 4Å; T406-I410 WeakPolarHBondContact O-CG1 3.5Å; T406-I410 PolarHBondContact O-N 3.49Å; S407-I410 PolarHBondContact O-N 3.43Å; A408-I410 PolarHBondContact O-N 2.82Å; I410-L413 PolarHBondContact O-N 2.93Å; I410-K414 WeakPolarHBondContact O-CA 3.47Å; I410-K414 PolarHBondContact O-N 3.19Å; I410-P415 HydrophobicContact CG2-CG 4.27Å; I410-P415 WeakPolarHBondContact O-CD 3.45Å; I410-V418 HydrophobicContact CD1-CG1 4.43Å; I410-V418 HydrophobicContact CG2-CG2 4.31Å; I410-L435 HydrophobicContact CD1-CD1 3.62Å; I410-L435 HydrophobicContact CD1-CD2 3.98Å; I410-L435 HydrophobicContact CD1-CG 4.46Å; I410-Y439 HydrophobicContact CG2-CE2 4.22Å; I410-Y439 WeakPolarHBondContact CG2-OH 3.34Å; I410-L447 HydrophobicContact CG2-CD1 4.2Å; I410-L447 HydrophobicContact CG2-CD2 3.84Å
411R93.1Very high95.2Very high113 Ų11331.7 Ų31.743%0.42615%0.149SC..Hα-helixtrans-66.7-36.4179.3-164.5-176.1-57.1106.1-1.4113.5S407 A408 F409 K414 E438 Y439S407-R411 WeakPolarHBondContact O-CB 2.84Å; S407-R411 PolarHBondContact O-N 3.5Å; S407-R411 PolarHBondContact OG-NH2 2.86Å; A408-R411 PolarHBondContact O-N 3.05Å; F409-R411 VanDerWaalsContact C-N 3.33Å; F409-R411 PolarHBondContact O-N 2.78Å; R411-K414 WeakPolarHBondContact O-CE 3.22Å; R411-K414 WeakPolarHBondContact O-CG 3.41Å; R411-E438 IonicContact CZ-OE1 3.55Å; R411-E438 IonicContact NE-OE1 3.24Å; R411-E438 IonicContact NH2-OE1 3.83Å; R411-E438 PolarHBondContact NH2-OE1 3.4Å; R411-E438 IonicContact NH2-OE2 2.69Å; R411-Y439 WeakPolarHBondContact CA-OH 3.36Å; R411-Y439 WeakPolarHBondContact CB-OH 3.43Å; R411-Y439 PolarHBondContact N-OH 2.93Å; R411-Y439 VanDerWaalsContact N-OH 3.09Å
412E93.6Very high95.4Very high114 Ų11431.7 Ų31.753%0.53315%0.149SC..Hα-helixtrans-73.2-39.3176.5-69.2-175.3-113.300111.5R186 I197 A408 F409R186-E412 IonicContact NH2-OE1 3.26Å; I197-E412 HydrophobicContact CD1-CB 3.77Å; I197-E412 HydrophobicContact CD1-CG 4.09Å; I197-E412 WeakPolarHBondContact CD1-OE2 3.38Å; A408-E412 WeakPolarHBondContact O-CG 3.32Å; A408-E412 PolarHBondContact O-N 3.3Å; F409-E412 PolarHBondContact O-N 3.27Å
413L94.6Very high95.5Very high6 Ų631.5 Ų31.53%0.03115%0.148CC..Hα-helixtrans-76.6-34.5178.5-71.8177.1000114.3L179 I197 R201 P202 L205 F409 I410L179-L413 HydrophobicContact CD2-CD1 3.65Å; L179-L413 HydrophobicContact CD2-CD2 4.42Å; I197-L413 HydrophobicContact CG2-CD2 3.85Å; R201-L413 WeakPolarHBondContact CG-O 3.39Å; P202-L413 HydrophobicContact CG-CB 4.45Å; P202-L413 HydrophobicContact CG-CD1 4.43Å; P202-L413 HydrophobicContact CG-CD2 4.37Å; L205-L413 HydrophobicContact CD1-CD1 4.23Å; L205-L413 HydrophobicContact CD2-CD1 4.28Å; F409-L413 HydrophobicContact CD1-CD1 3.74Å; F409-L413 HydrophobicContact CD2-CD1 4.5Å; F409-L413 HydrophobicContact CE1-CD1 3.31Å; F409-L413 HydrophobicContact CE1-CG 4.47Å; F409-L413 HydrophobicContact CE2-CD1 4.15Å; F409-L413 HydrophobicContact CG-CD1 4.33Å; F409-L413 HydrophobicContact CZ-CD1 3.55Å; F409-L413 HydrophobicContact CZ-CG 4.46Å; F409-L413 WeakPolarHBondContact O-CB 3.22Å; F409-L413 WeakPolarHBondContact O-CG 3.28Å; F409-L413 PolarHBondContact O-N 3.34Å; I410-L413 PolarHBondContact O-N 2.93Å
414K93.2Very high95.4Very high89 Ų8932 Ų3239%0.38715%0.152SC..  trans49.949.6-174.4-54.8-171.6177.8-166.10114R201 I410 R411R201-K414 PolarHBondContact NE-O 2.8Å; R201-K414 PolarHBondContact NH2-O 3.27Å; I410-K414 WeakPolarHBondContact O-CA 3.47Å; I410-K414 PolarHBondContact O-N 3.19Å; R411-K414 WeakPolarHBondContact O-CE 3.22Å; R411-K414 WeakPolarHBondContact O-CG 3.41Å
415P94.9Very high95.5Very high0 Ų029.7 Ų29.70%014%0.141CC..  trans-61.7157.417730.7-35.9000111.3P202 L205 I410 V418 L447P202-P415 WeakPolarHBondContact O-CA 3.34Å; L205-P415 HydrophobicContact CB-CB 3.84Å; L205-P415 HydrophobicContact CB-CG 3.79Å; L205-P415 HydrophobicContact CD2-CG 4.11Å; I410-P415 HydrophobicContact CG2-CG 4.27Å; I410-P415 WeakPolarHBondContact O-CD 3.45Å; P415-V418 HydrophobicContact CB-CG2 4.49Å; P415-V418 HydrophobicContact CG-CG2 3.63Å; P415-L447 HydrophobicContact CG-CD1 4.01Å; P415-L447 WeakPolarHBondContact O-CD1 3.36Å
416S93Very high95.5Very high41 Ų4132.3 Ų32.329%0.28716%0.156SC..SBendtrans-80.7-35.4173.4-56.70000111.1D203 E448D203-S416 PolarHBondContact O-N 2.76Å; S416-E448 PolarHBondContact O-N 3.29Å
417Y97Very high95.4Very high52 Ų5233.4 Ų33.420%0.20416%0.161CC..EExtended strand (participates in β ladder)trans-127.3135.1-179.3-53.6-80.2000110.8D203 V204 L205 E448 F450 L460 F462D203-Y417 PolarHBondContact O-N 2.78Å; D203-Y417 VanDerWaalsContact O-N 3.14Å; V204-Y417 CarbonylContact C-O 3.59Å; V204-Y417 WeakPolarHBondContact CA-O 3.39Å; V204-Y417 HydrophobicContact CG2-CD2 4.23Å; L205-Y417 PolarHBondContact N-O 3.18Å; Y417-E448 CarbonylContact C-O 3.55Å; Y417-E448 WeakPolarHBondContact CA-O 3.33Å; Y417-E448 HydrophobicContact CD1-CB 3.8Å; Y417-E448 HydrophobicContact CE1-CB 4.2Å; Y417-F450 AromaticContact CD1-CE2 3.9Å; Y417-F450 HydrophobicContact CD1-CE2 3.9Å; Y417-F450 HydrophobicContact CD1-CZ 4.42Å; Y417-L460 HydrophobicContact CD1-CD1 4.27Å; Y417-L460 HydrophobicContact CD1-CD2 3.73Å; Y417-L460 HydrophobicContact CD2-CD1 3.97Å; Y417-L460 HydrophobicContact CE1-CD2 3.97Å; Y417-L460 HydrophobicContact CG-CD1 3.74Å; Y417-L460 HydrophobicContact CG-CD2 4.09Å; Y417-F462 HydrophobicContact CD2-CE1 4.36Å; Y417-F462 AromaticContact CD2-CZ 3.69Å; Y417-F462 HydrophobicContact CD2-CZ 3.69Å; Y417-F462 AromaticContact CE2-CE1 3.99Å; Y417-F462 HydrophobicContact CE2-CE1 3.99Å; Y417-F462 HydrophobicContact CE2-CE2 4.43Å; Y417-F462 AromaticContact CE2-CZ 3.62Å; Y417-F462 HydrophobicContact CE2-CZ 3.62Å
418V97.8Very high95.5Very high0 Ų033.1 Ų33.10%016%0.159CC..EExtended strand (participates in β ladder)trans-118.9127.2174.2177.40000109.1L205 T207 I410 P415 L420 L447 E448 I449 F450L205-V418 HydrophobicContact CB-CG2 4.34Å; L205-V418 HydrophobicContact CD2-CG2 4.41Å; L205-V418 CarbonylContact O-C 3.58Å; L205-V418 VanDerWaalsContact O-CA 3.31Å; L205-V418 WeakPolarHBondContact O-CA 3.39Å; T207-V418 HydrophobicContact CG2-CG1 3.96Å; I410-V418 HydrophobicContact CD1-CG1 4.43Å; I410-V418 HydrophobicContact CG2-CG2 4.31Å; P415-V418 HydrophobicContact CB-CG2 4.49Å; P415-V418 HydrophobicContact CG-CG2 3.63Å; V418-L420 HydrophobicContact CG1-CD2 3.75Å; V418-L420 HydrophobicContact CG1-CG 4.34Å; V418-L447 HydrophobicContact CG2-CD1 3.51Å; V418-L447 HydrophobicContact CG2-CD2 4.35Å; V418-L447 HydrophobicContact CG2-CG 4.16Å; V418-E448 PolarHBondContact N-O 3.15Å; V418-I449 HydrophobicContact CB-CG1 4.33Å; V418-I449 HydrophobicContact CB-CG2 4.34Å; V418-I449 HydrophobicContact CG1-CG2 4.34Å; V418-I449 CarbonylContact O-C 3.55Å; V418-I449 WeakPolarHBondContact O-CA 3.3Å; V418-F450 PolarHBondContact O-N 2.99Å
419V98.5Very high95.6Very high0 Ų035.6 Ų35.60%017%0.168CC..EExtended strand (participates in β ladder)trans-112.1111.5172.8-174.60000107.9I15 V204 L205 I206 T207 V421 F450 P452 V458I15-V419 HydrophobicContact CD1-CG2 3.88Å; I15-V419 HydrophobicContact CG2-CG1 4.3Å; V204-V419 HydrophobicContact CG1-CG2 4.37Å; L205-V419 PolarHBondContact O-N 3.26Å; I206-V419 WeakPolarHBondContact CA-O 3.22Å; I206-V419 HydrophobicContact CG1-CB 4.3Å; T207-V419 PolarHBondContact N-O 3.48Å; V419-V421 HydrophobicContact CG1-CG1 4.32Å; V419-F450 HydrophobicContact CG2-CB 4.45Å; V419-F450 HydrophobicContact CG2-CD2 4.36Å; V419-P452 HydrophobicContact CG1-CG 3.66Å; V419-V458 HydrophobicContact CG1-CG2 4.4Å; V419-V458 HydrophobicContact CG2-CG1 4.48Å
420L98.5Very high95.6Very high0 Ų042.3 Ų42.30%019%0.193CC..EExtended strand (participates in β ladder)trans-82.1127.4176.4-57.9-179.2000109.5T207 A209 V418 M428 L431 C432 I449 F450 T451T207-L420 HydrophobicContact CG2-CD2 3.63Å; A209-L420 HydrophobicContact CB-CB 4.38Å; V418-L420 HydrophobicContact CG1-CD2 3.75Å; V418-L420 HydrophobicContact CG1-CG 4.34Å; L420-M428 HydrophobicContact CB-CG 3.81Å; L420-M428 HydrophobicContact CB-SD 4.05Å; L420-M428 HydrophobicContact CD1-CG 4.2Å; L420-L431 HydrophobicContact CD1-CB 4.47Å; L420-L431 HydrophobicContact CD1-CD2 4.12Å; L420-L431 HydrophobicContact CD1-CG 4.11Å; L420-L431 HydrophobicContact CD2-CD2 4.16Å; L420-C432 HydrophobicContact CD1-CB 3.97Å; L420-I449 HydrophobicContact CD1-CG2 3.91Å; L420-I449 HydrophobicContact CG-CG2 3.96Å; L420-F450 PolarHBondContact N-O 3.45Å; L420-T451 HydrophobicContact CB-CG2 4.17Å; L420-T451 HydrophobicContact CD1-CG2 3.93Å; L420-T451 HydrophobicContact CG-CG2 4.43Å
421V98.5Very high95.6Very high2 Ų242.3 Ų42.31%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-132.3176.8174.9-64.90000108.7P17 A20 I29 I206 T207 E208 A209 V419 G423 M428P17-V421 HydrophobicContact CG-CG1 4.35Å; A20-V421 CarbonylContact O-C 3.59Å; I29-V421 HydrophobicContact CD1-CB 4.36Å; I29-V421 HydrophobicContact CD1-CG1 4.07Å; I29-V421 HydrophobicContact CD1-CG2 4.03Å; I29-V421 HydrophobicContact CG1-CG1 4.44Å; I206-V421 HydrophobicContact CG2-CG1 4.14Å; I206-V421 HydrophobicContact CG2-CG2 3.87Å; T207-V421 WeakPolarHBondContact O-CG2 3.46Å; T207-V421 PolarHBondContact O-N 3.04Å; E208-V421 CarbonylContact C-O 3.58Å; E208-V421 VanDerWaalsContact CA-O 3.26Å; E208-V421 WeakPolarHBondContact CA-O 3.32Å; A209-V421 PolarHBondContact N-O 2.67Å; V419-V421 HydrophobicContact CG1-CG1 4.32Å; V421-G423 PolarHBondContact O-N 3.46Å; V421-M428 VanDerWaalsContact C-CE 3.46Å
422H97.7Very high95.8Very high4 Ų437.4 Ų37.42%0.01918%0.176CC..SBendtrans51.765.1172.2-158.1-100.6000113.3A20 E23 S27 D77 H78 D183 E208 A209 T210A20-H422 HydrophobicContact CB-CB 4.24Å; A20-H422 PolarHBondContact O-N 3.33Å; E23-H422 WeakPolarHBondContact O-CA 3.38Å; S27-H422 PolarHBondContact OG-CD2 3.07Å; D77-H422 IonicContact OD2-CE1 2.74Å; D77-H422 IonicContact OD2-NE2 3.59Å; D77-H422 PolarHBondContact OD2-NE2 3.33Å; H78-H422 AromaticContact NE2-CD2 3.72Å; H78-H422 AromaticContact NE2-CE1 3.92Å; H78-H422 AromaticContact NE2-NE2 3.5Å; D183-H422 IonicContact OD1-CE1 3.23Å; D183-H422 PolarHBondContact OD1-CE1 3.31Å; D183-H422 IonicContact OD1-CG 2.78Å; D183-H422 IonicContact OD1-ND1 3.58Å; D183-H422 PolarHBondContact OD1-ND1 3.31Å; D183-H422 VanDerWaalsContact OD1-ND1 3.16Å; D183-H422 IonicContact OD2-CE1 3.38Å; D183-H422 PolarHBondContact OD2-CE1 2.85Å; E208-H422 HydrophobicContact CB-CB 4Å; A209-H422 CarbonylContact C-O 3.38Å; A209-H422 VanDerWaalsContact C-O 3.3Å; A209-H422 PolarHBondContact N-O 2.98Å; T210-H422 WeakPolarHBondContact CA-O 3.16Å; T210-H422 PolarHBondContact N-O 3.29Å; T210-H422 PolarHBondContact OG1-ND1 3.04Å; T210-H422 PolarHBondContact OG1-O 3.49Å
423G95.6Very high95.9Very high0 Ų033 Ų330%016%0.162CC..SBendtrans-169.1144.5-178.300000110.7Q22 E23 V421 M428Q22-G423 CarbonylContact C-O 3.57Å; E23-G423 CarbonylContact C-O 3.54Å; E23-G423 WeakPolarHBondContact CA-O 3.43Å; E23-G423 PolarHBondContact N-O 3.48Å; E23-G423 PolarHBondContact O-N 3.38Å; V421-G423 PolarHBondContact O-N 3.46Å; G423-M428 WeakPolarHBondContact O-CE 3.15Å
424E93Very high95.9Very high58 Ų5833.2 Ų33.227%0.27116%0.164SC..  trans-61.3142.5175.3-174.5-79.1145.700110N426 E427 M428E424-N426 VanDerWaalsContact C-N 3.33Å; E424-N426 VanDerWaalsContact CD-N 3.25Å; E424-N426 PolarHBondContact O-N 3.35Å; E424-N426 PolarHBondContact OE1-N 3.25Å; E424-N426 VanDerWaalsContact OE1-N 3.13Å; E424-N426 PolarHBondContact OE1-ND2 3.14Å; E424-N426 WeakPolarHBondContact OE2-CA 3.45Å; E424-N426 VanDerWaalsContact OE2-CB 3.29Å; E424-N426 WeakPolarHBondContact OE2-CB 3.22Å; E424-N426 PolarHBondContact OE2-N 3.31Å; E424-E427 PolarHBondContact O-N 2.98Å; E424-E427 PolarHBondContact OE2-N 3.27Å; E424-M428 VanDerWaalsContact O-CB 3.32Å; E424-M428 WeakPolarHBondContact O-CB 3.49Å; E424-M428 PolarHBondContact O-N 3.23Å
425Q94.9Very high96Very high74 Ų7429 Ų2935%0.34615%0.146SC..Hα-helixtrans-48.5-48.6-171.7176.6173.559.400113.8Q22 L429Q22-Q425 HydrophobicContact CB-CB 4.11Å; Q22-Q425 HydrophobicContact CB-CG 4.36Å; Q22-Q425 PolarHBondContact O-N 3Å; Q425-L429 HydrophobicContact CG-CD1 4.19Å; Q425-L429 WeakPolarHBondContact O-CB 3.29Å; Q425-L429 VanDerWaalsContact O-CG 3.22Å; Q425-L429 WeakPolarHBondContact O-CG 3.4Å; Q425-L429 PolarHBondContact O-N 2.56Å; Q425-L429 VanDerWaalsContact O-N 3.09Å
426N95Very high95.9Very high88 Ų8833.9 Ų33.947%0.47117%0.169SC..Hα-helixtrans-72-43.7-177-61.4-66.8000111.9E424 M428 L429 R430E424-N426 VanDerWaalsContact C-N 3.33Å; E424-N426 VanDerWaalsContact CD-N 3.25Å; E424-N426 PolarHBondContact O-N 3.35Å; E424-N426 PolarHBondContact OE1-N 3.25Å; E424-N426 VanDerWaalsContact OE1-N 3.13Å; E424-N426 PolarHBondContact OE1-ND2 3.14Å; E424-N426 WeakPolarHBondContact OE2-CA 3.45Å; E424-N426 VanDerWaalsContact OE2-CB 3.29Å; E424-N426 WeakPolarHBondContact OE2-CB 3.22Å; E424-N426 PolarHBondContact OE2-N 3.31Å; N426-M428 VanDerWaalsContact C-N 3.34Å; N426-L429 PolarHBondContact O-N 3.04Å; N426-R430 VanDerWaalsContact O-CG 3.29Å; N426-R430 WeakPolarHBondContact O-CG 3.08Å; N426-R430 PolarHBondContact O-N 3.14Å
427E93.6Very high95.8Very high26 Ų2640.3 Ų40.312%0.12119%0.187CC..Hα-helixtrans-64.2-38.7177.1-72.3-54134.200112.3H214 E424 R430 L431H214-E427 IonicContact NE2-OE2 2.72Å; E424-E427 PolarHBondContact O-N 2.98Å; E424-E427 PolarHBondContact OE2-N 3.27Å; E427-R430 PolarHBondContact O-N 3.17Å; E427-R430 IonicContact OE1-CZ 3.11Å; E427-R430 IonicContact OE1-NH1 3.93Å; E427-R430 PolarHBondContact OE1-NH1 2.76Å; E427-L431 WeakPolarHBondContact O-CB 3.45Å; E427-L431 PolarHBondContact O-N 2.8Å
428M96.4Very high95.5Very high0 Ų040.7 Ų40.70%019%0.19CC..Hα-helixtrans-64.4-42.1174.5-174.5-174.8-71.600112.1Q22 A209 L420 V421 G423 E424 N426 L431 C432 T451Q22-M428 HydrophobicContact CG-SD 3.98Å; A209-M428 HydrophobicContact CB-CB 4.26Å; A209-M428 HydrophobicContact CB-CE 4.1Å; A209-M428 HydrophobicContact CB-CG 4.02Å; L420-M428 HydrophobicContact CB-CG 3.81Å; L420-M428 HydrophobicContact CB-SD 4.05Å; L420-M428 HydrophobicContact CD1-CG 4.2Å; V421-M428 VanDerWaalsContact C-CE 3.46Å; G423-M428 WeakPolarHBondContact O-CE 3.15Å; E424-M428 VanDerWaalsContact O-CB 3.32Å; E424-M428 WeakPolarHBondContact O-CB 3.49Å; E424-M428 PolarHBondContact O-N 3.23Å; N426-M428 VanDerWaalsContact C-N 3.34Å; M428-L431 PolarHBondContact O-N 3.5Å; M428-C432 WeakPolarHBondContact O-CB 3.36Å; M428-C432 PolarHBondContact O-N 3.05Å; M428-T451 HydrophobicContact CG-CG2 3.75Å; M428-T451 HydrophobicContact SD-CG2 4.04Å
429L96.7Very high95.1Very high79 Ų7941.5 Ų41.541%0.41419%0.194SC..Hα-helixtrans-66.6-37.2175.8-72.3172.3000112.1Q425 N426 C432 G433Q425-L429 HydrophobicContact CG-CD1 4.19Å; Q425-L429 WeakPolarHBondContact O-CB 3.29Å; Q425-L429 VanDerWaalsContact O-CG 3.22Å; Q425-L429 WeakPolarHBondContact O-CG 3.4Å; Q425-L429 PolarHBondContact O-N 2.56Å; Q425-L429 VanDerWaalsContact O-N 3.09Å; N426-L429 PolarHBondContact O-N 3.04Å; L429-C432 PolarHBondContact O-N 2.96Å; L429-G433 PolarHBondContact O-N 2.96Å
430R96.8Very high94.4Very high141 Ų14148.7 Ų48.753%0.53223%0.227SC..Hα-helixtrans-64.2-44.4173.7-74.4170.9175.4-176.3-2.9111.8I213 N426 E427 G433 A434I213-R430 HydrophobicContact CD1-CB 4.19Å; I213-R430 HydrophobicContact CG1-CB 4.27Å; I213-R430 HydrophobicContact CG2-CB 4.02Å; N426-R430 VanDerWaalsContact O-CG 3.29Å; N426-R430 WeakPolarHBondContact O-CG 3.08Å; N426-R430 PolarHBondContact O-N 3.14Å; E427-R430 PolarHBondContact O-N 3.17Å; E427-R430 IonicContact OE1-CZ 3.11Å; E427-R430 IonicContact OE1-NH1 3.93Å; E427-R430 PolarHBondContact OE1-NH1 2.76Å; R430-G433 PolarHBondContact O-N 2.71Å; R430-A434 WeakPolarHBondContact O-CB 3.41Å; R430-A434 PolarHBondContact O-N 2.57Å
431L96.6Very high93.6Very high1 Ų156 Ų561%0.00527%0.266CS..Hα-helixtrans-59.9-47174.9175.760.1000111.1A209 Y403 L420 E427 M428 G433 A434 L435A209-L431 HydrophobicContact CB-CD2 3.76Å; Y403-L431 HydrophobicContact CD2-CD1 3.73Å; Y403-L431 HydrophobicContact CE2-CD1 4.04Å; L420-L431 HydrophobicContact CD1-CB 4.47Å; L420-L431 HydrophobicContact CD1-CD2 4.12Å; L420-L431 HydrophobicContact CD1-CG 4.11Å; L420-L431 HydrophobicContact CD2-CD2 4.16Å; E427-L431 WeakPolarHBondContact O-CB 3.45Å; E427-L431 PolarHBondContact O-N 2.8Å; M428-L431 PolarHBondContact O-N 3.5Å; L431-G433 PolarHBondContact O-N 2.88Å; L431-A434 PolarHBondContact O-N 2.9Å; L431-L435 HydrophobicContact CD1-CD1 3.83Å; L431-L435 HydrophobicContact CD1-CG 3.93Å; L431-L435 HydrophobicContact CG-CD1 3.93Å; L431-L435 HydrophobicContact CG-CG 4.43Å; L431-L435 WeakPolarHBondContact O-CG 3.48Å; L431-L435 PolarHBondContact O-N 3.45Å
432C96.2Very high92.9Very high10 Ų1058.5 Ų58.57%0.06828%0.279CS..Hα-helixtrans-55.3-50.1175.7-176.90000111.6L420 M428 L429 A434 L435 Q436 I449 T451L420-C432 HydrophobicContact CD1-CB 3.97Å; M428-C432 WeakPolarHBondContact O-CB 3.36Å; M428-C432 PolarHBondContact O-N 3.05Å; L429-C432 PolarHBondContact O-N 2.96Å; C432-A434 VanDerWaalsContact C-N 3.32Å; C432-A434 PolarHBondContact O-N 2.95Å; C432-L435 PolarHBondContact O-N 3.09Å; C432-Q436 WeakPolarHBondContact O-CB 3.2Å; C432-Q436 VanDerWaalsContact O-CG 3.32Å; C432-Q436 WeakPolarHBondContact O-CG 3.47Å; C432-Q436 PolarHBondContact O-N 3.05Å; C432-I449 HydrophobicContact CB-CG2 4.37Å; C432-T451 HydrophobicContact CB-CG2 3.78Å
433G95.9Very high91.9Very high23 Ų2367.7 Ų67.724%0.23732%0.322CS..Hα-helixtrans-68.5-25.8178.600000114.4L429 R430 L431 R437L429-G433 PolarHBondContact O-N 2.96Å; R430-G433 PolarHBondContact O-N 2.71Å; L431-G433 PolarHBondContact O-N 2.88Å; G433-R437 WeakPolarHBondContact O-CG 3.5Å; G433-R437 PolarHBondContact O-N 2.84Å; G433-R437 PolarHBondContact O-NE 2.84Å
434A95.2Very high91Very high9 Ų972.9 Ų72.97%0.07435%0.354CS..Hα-helixtrans-74-47.4173.300000111.4I213 Y403 R430 L431 C432 R437 E438I213-A434 HydrophobicContact CG2-CB 3.95Å; Y403-A434 HydrophobicContact CD2-CB 4.32Å; Y403-A434 HydrophobicContact CE2-CB 3.44Å; Y403-A434 VanDerWaalsContact CE2-CB 3.44Å; R430-A434 WeakPolarHBondContact O-CB 3.41Å; R430-A434 PolarHBondContact O-N 2.57Å; L431-A434 PolarHBondContact O-N 2.9Å; C432-A434 VanDerWaalsContact C-N 3.32Å; C432-A434 PolarHBondContact O-N 2.95Å; A434-R437 PolarHBondContact O-N 3.04Å; A434-E438 PolarHBondContact O-N 3.39Å; A434-E438 VanDerWaalsContact O-N 3.09Å
435L94.1Very high90.2Very high0 Ų070.3 Ų70.30%034%0.343CS..Hα-helixtrans-63-44175.9-68171000111.7Y403 I410 L431 C432 R437 E438 Y439 I449Y403-L435 HydrophobicContact CE2-CD2 4.44Å; I410-L435 HydrophobicContact CD1-CD1 3.62Å; I410-L435 HydrophobicContact CD1-CD2 3.98Å; I410-L435 HydrophobicContact CD1-CG 4.46Å; L431-L435 HydrophobicContact CD1-CD1 3.83Å; L431-L435 HydrophobicContact CD1-CG 3.93Å; L431-L435 HydrophobicContact CG-CD1 3.93Å; L431-L435 HydrophobicContact CG-CG 4.43Å; L431-L435 WeakPolarHBondContact O-CG 3.48Å; L431-L435 PolarHBondContact O-N 3.45Å; C432-L435 PolarHBondContact O-N 3.09Å; L435-R437 VanDerWaalsContact C-N 3.31Å; L435-R437 PolarHBondContact O-N 3.1Å; L435-E438 WeakPolarHBondContact O-CB 3.28Å; L435-E438 PolarHBondContact O-N 3.1Å; L435-Y439 VanDerWaalsContact O-CD2 3.31Å; L435-Y439 WeakPolarHBondContact O-CD2 3.45Å; L435-Y439 PolarHBondContact O-N 2.9Å; L435-I449 HydrophobicContact CB-CD1 3.33Å; L435-I449 HydrophobicContact CD1-CD1 4.09Å; L435-I449 HydrophobicContact CG-CD1 4.37Å
436Q92.8Very high89.5Confident103 Ų10376.3 Ų76.348%0.48136%0.362SS..Hα-helixtrans-56.6-44.1177-78.1175.7-21.200112.5C432 E438 Y439 E440 I449C432-Q436 WeakPolarHBondContact O-CB 3.2Å; C432-Q436 VanDerWaalsContact O-CG 3.32Å; C432-Q436 WeakPolarHBondContact O-CG 3.47Å; C432-Q436 PolarHBondContact O-N 3.05Å; Q436-E438 VanDerWaalsContact C-N 3.29Å; Q436-E438 PolarHBondContact O-N 2.86Å; Q436-Y439 PolarHBondContact O-N 3.48Å; Q436-E440 PolarHBondContact O-N 2.98Å; Q436-E440 VanDerWaalsContact O-N 3.1Å; Q436-I449 HydrophobicContact CG-CD1 4.11Å
437R92.2Very high89.3Confident176 Ų17673.2 Ų73.266%0.66435%0.345SS*.Hα-helixtrans-65.8-32.2176.3-75.7-179.1-69.5158.1-0.4112.9G433 A434 L435 Y439G433-R437 WeakPolarHBondContact O-CG 3.5Å; G433-R437 PolarHBondContact O-N 2.84Å; G433-R437 PolarHBondContact O-NE 2.84Å; A434-R437 PolarHBondContact O-N 3.04Å; L435-R437 VanDerWaalsContact C-N 3.31Å; L435-R437 PolarHBondContact O-N 3.1Å; R437-Y439 VanDerWaalsContact C-N 3.34Å
438E90.1Very high89.3Confident61 Ų6175 Ų7529%0.28535%0.354SS..Hα-helixtrans-69.5-33179.9-158.8-170.3125.200112.7Y403 S407 R411 A434 L435 Q436Y403-E438 PolarHBondContact OH-OE2 3.45Å; S407-E438 WeakPolarHBondContact CB-OE2 3.4Å; S407-E438 PolarHBondContact OG-OE1 3.45Å; S407-E438 PolarHBondContact OG-OE2 3.38Å; R411-E438 IonicContact CZ-OE1 3.55Å; R411-E438 IonicContact NE-OE1 3.24Å; R411-E438 IonicContact NH2-OE1 3.83Å; R411-E438 PolarHBondContact NH2-OE1 3.4Å; R411-E438 IonicContact NH2-OE2 2.69Å; A434-E438 PolarHBondContact O-N 3.39Å; A434-E438 VanDerWaalsContact O-N 3.09Å; L435-E438 WeakPolarHBondContact O-CB 3.28Å; L435-E438 PolarHBondContact O-N 3.1Å; Q436-E438 VanDerWaalsContact C-N 3.29Å; Q436-E438 PolarHBondContact O-N 2.86Å
439Y88Confident89.3Confident17 Ų1775.9 Ų75.97%0.06736%0.358CS..Hα-helixtrans-101.11.3-179-71-87.9000113.9I410 R411 L435 Q436 R437 D441 D442 C445 L447I410-Y439 HydrophobicContact CG2-CE2 4.22Å; I410-Y439 WeakPolarHBondContact CG2-OH 3.34Å; R411-Y439 WeakPolarHBondContact CA-OH 3.36Å; R411-Y439 WeakPolarHBondContact CB-OH 3.43Å; R411-Y439 PolarHBondContact N-OH 2.93Å; R411-Y439 VanDerWaalsContact N-OH 3.09Å; L435-Y439 VanDerWaalsContact O-CD2 3.31Å; L435-Y439 WeakPolarHBondContact O-CD2 3.45Å; L435-Y439 PolarHBondContact O-N 2.9Å; Q436-Y439 PolarHBondContact O-N 3.48Å; R437-Y439 VanDerWaalsContact C-N 3.34Å; Y439-D441 VanDerWaalsContact C-N 3.29Å; Y439-D441 PolarHBondContact O-N 3.25Å; Y439-D442 HydrophobicContact CD1-CB 4.43Å; Y439-D442 PolarHBondContact O-N 3.42Å; Y439-C445 HydrophobicContact CD1-CB 4.14Å; Y439-C445 HydrophobicContact CE1-CB 4.32Å; Y439-L447 HydrophobicContact CD1-CB 4.44Å; Y439-L447 HydrophobicContact CD1-CD2 4.47Å; Y439-L447 HydrophobicContact CD2-CD2 3.5Å; Y439-L447 VanDerWaalsContact CD2-CD2 3.5Å; Y439-L447 HydrophobicContact CE2-CD2 3.61Å; Y439-L447 HydrophobicContact CG-CB 4.19Å; Y439-L447 HydrophobicContact CG-CD2 3.98Å
440E84.6Confident89.3Confident151 Ų15175 Ų7571%0.70635%0.351SS*.THydrogen-bonded Turntrans-60.8-37.3-176.7-170.6170.5-171.600112.5Q436Q436-E440 PolarHBondContact O-N 2.98Å; Q436-E440 VanDerWaalsContact O-N 3.1Å
441D82.8Confident89.4Confident152 Ų15269.7 Ų69.781%0.81333%0.334SS*.THydrogen-bonded Turntrans-97.11.3-179.5-64.2-40.5000113.6Y439 E443Y439-D441 VanDerWaalsContact C-N 3.29Å; Y439-D441 PolarHBondContact O-N 3.25Å; D441-E443 PolarHBondContact O-N 2.93Å
442D81.9Confident89.5Confident55 Ų5570 Ų7029%0.29434%0.337SS..  trans-88.890.8-179.9-169.8-12.4000111.4Y439 T444 C445Y439-D442 HydrophobicContact CD1-CB 4.43Å; Y439-D442 PolarHBondContact O-N 3.42Å; D442-T444 PolarHBondContact O-N 2.95Å; D442-T444 WeakPolarHBondContact OD1-CA 3.39Å; D442-T444 VanDerWaalsContact OD1-CB 3.31Å; D442-T444 WeakPolarHBondContact OD1-CB 3.46Å; D442-T444 PolarHBondContact OD1-N 3.21Å; D442-T444 PolarHBondContact OD1-OG1 3.48Å; D442-C445 PolarHBondContact O-N 3.47Å; D442-C445 PolarHBondContact OD1-N 3.06Å
443E77.1Confident89.5Confident197 Ų19774.9 Ų74.992%0.92136%0.357SS*.THydrogen-bonded Turntrans-59.6-17.6175.8-65-172.3172.900113.5D441D441-E443 PolarHBondContact O-N 2.93Å
444T77Confident89.6Confident110 Ų11075.1 Ų75.168%0.67535%0.353SS*.THydrogen-bonded Turntrans-89.1-17.6-177.5770000113.4D442D442-T444 PolarHBondContact O-N 2.95Å; D442-T444 WeakPolarHBondContact OD1-CA 3.39Å; D442-T444 VanDerWaalsContact OD1-CB 3.31Å; D442-T444 WeakPolarHBondContact OD1-CB 3.46Å; D442-T444 PolarHBondContact OD1-N 3.21Å; D442-T444 PolarHBondContact OD1-OG1 3.48Å
445C76Confident89.7Confident3 Ų377.2 Ų77.22%0.0237%0.366CS..  trans-137.391.5-173.7-166.60000111.1Y439 D442 L447Y439-C445 HydrophobicContact CD1-CB 4.14Å; Y439-C445 HydrophobicContact CE1-CB 4.32Å; D442-C445 PolarHBondContact O-N 3.47Å; D442-C445 PolarHBondContact OD1-N 3.06Å; C445-L447 PolarHBondContact O-N 2.67Å
446R81.2Confident89.9Confident200 Ų20080.7 Ų80.776%0.75539%0.387SS*.  trans-77.9103169.7-175.6174.1166.9170.9-4.4109.9E448R446-E448 IonicContact CZ-OE1 3.25Å; R446-E448 IonicContact NE-OE1 3.96Å; R446-E448 PolarHBondContact NE-OE1 3.08Å; R446-E448 IonicContact NH2-OE1 3.25Å; R446-E448 PolarHBondContact NH2-OE1 3.4Å
447L89.2Confident90.1Very high23 Ų2378.3 Ų78.312%0.1238%0.381CS..  trans-101.9119.1-179.8-168.370000110.9I410 P415 V418 Y439 C445 I449I410-L447 HydrophobicContact CG2-CD1 4.2Å; I410-L447 HydrophobicContact CG2-CD2 3.84Å; P415-L447 HydrophobicContact CG-CD1 4.01Å; P415-L447 WeakPolarHBondContact O-CD1 3.36Å; V418-L447 HydrophobicContact CG2-CD1 3.51Å; V418-L447 HydrophobicContact CG2-CD2 4.35Å; V418-L447 HydrophobicContact CG2-CG 4.16Å; Y439-L447 HydrophobicContact CD1-CB 4.44Å; Y439-L447 HydrophobicContact CD1-CD2 4.47Å; Y439-L447 HydrophobicContact CD2-CD2 3.5Å; Y439-L447 VanDerWaalsContact CD2-CD2 3.5Å; Y439-L447 HydrophobicContact CE2-CD2 3.61Å; Y439-L447 HydrophobicContact CG-CB 4.19Å; Y439-L447 HydrophobicContact CG-CD2 3.98Å; C445-L447 PolarHBondContact O-N 2.67Å; L447-I449 HydrophobicContact CD2-CD1 3.79Å; L447-I449 HydrophobicContact CD2-CG1 3.97Å; L447-I449 HydrophobicContact CG-CD1 4.33Å; L447-I449 HydrophobicContact CG-CG1 3.96Å
448E94.1Very high90.4Very high65 Ų6570.4 Ų70.430%0.30435%0.352SS..EExtended strand (participates in β ladder)trans-103.4121.9172-71.5-173.4-164.700110.4S416 Y417 V418 R446 F450S416-E448 PolarHBondContact O-N 3.29Å; Y417-E448 CarbonylContact C-O 3.55Å; Y417-E448 WeakPolarHBondContact CA-O 3.33Å; Y417-E448 HydrophobicContact CD1-CB 3.8Å; Y417-E448 HydrophobicContact CE1-CB 4.2Å; V418-E448 PolarHBondContact N-O 3.15Å; R446-E448 IonicContact CZ-OE1 3.25Å; R446-E448 IonicContact NE-OE1 3.96Å; R446-E448 PolarHBondContact NE-OE1 3.08Å; R446-E448 IonicContact NH2-OE1 3.25Å; R446-E448 PolarHBondContact NH2-OE1 3.4Å; E448-F450 HydrophobicContact CB-CE2 4.18Å; E448-F450 HydrophobicContact CB-CZ 4.39Å
449I96.4Very high90.7Very high17 Ų1771.4 Ų71.49%0.08736%0.359CS..EExtended strand (participates in β ladder)trans-113.1132.7-172.2-48.2-177.9000110.5V418 L420 C432 L435 Q436 L447V418-I449 HydrophobicContact CB-CG1 4.33Å; V418-I449 HydrophobicContact CB-CG2 4.34Å; V418-I449 HydrophobicContact CG1-CG2 4.34Å; V418-I449 CarbonylContact O-C 3.55Å; V418-I449 WeakPolarHBondContact O-CA 3.3Å; L420-I449 HydrophobicContact CD1-CG2 3.91Å; L420-I449 HydrophobicContact CG-CG2 3.96Å; C432-I449 HydrophobicContact CB-CG2 4.37Å; L435-I449 HydrophobicContact CB-CD1 3.33Å; L435-I449 HydrophobicContact CD1-CD1 4.09Å; L435-I449 HydrophobicContact CG-CD1 4.37Å; Q436-I449 HydrophobicContact CG-CD1 4.11Å; L447-I449 HydrophobicContact CD2-CD1 3.79Å; L447-I449 HydrophobicContact CD2-CG1 3.97Å; L447-I449 HydrophobicContact CG-CD1 4.33Å; L447-I449 HydrophobicContact CG-CG1 3.96Å
450F97.9Very high91.1Very high60 Ų6070.9 Ų70.926%0.26336%0.358SS..EExtended strand (participates in β ladder)trans-121.6144.2179.5-56.1-88.9000111.5Y417 V418 V419 L420 E448 P452 V458 L460Y417-F450 AromaticContact CD1-CE2 3.9Å; Y417-F450 HydrophobicContact CD1-CE2 3.9Å; Y417-F450 HydrophobicContact CD1-CZ 4.42Å; V418-F450 PolarHBondContact O-N 2.99Å; V419-F450 HydrophobicContact CG2-CB 4.45Å; V419-F450 HydrophobicContact CG2-CD2 4.36Å; L420-F450 PolarHBondContact N-O 3.45Å; E448-F450 HydrophobicContact CB-CE2 4.18Å; E448-F450 HydrophobicContact CB-CZ 4.39Å; F450-P452 VanDerWaalsContact C-CD 3.45Å; F450-V458 HydrophobicContact CB-CG1 4.24Å; F450-V458 HydrophobicContact CB-CG2 3.84Å; F450-V458 HydrophobicContact CD1-CG1 3.77Å; F450-V458 HydrophobicContact CD1-CG2 4.36Å; F450-V458 HydrophobicContact CD2-CG1 3.83Å; F450-V458 HydrophobicContact CE1-CG1 4.05Å; F450-V458 HydrophobicContact CE2-CG1 4.11Å; F450-V458 HydrophobicContact CG-CG1 3.66Å; F450-V458 HydrophobicContact CG-CG2 4.14Å; F450-V458 HydrophobicContact CZ-CG1 4.22Å; F450-L460 HydrophobicContact CE2-CD2 3.75Å; F450-L460 HydrophobicContact CZ-CD2 3.78Å
451T97.8Very high91.4Very high30 Ų3070.3 Ų70.318%0.18435%0.349CS..  trans-126.662176.8520000110.6Q22 L420 M428 C432Q22-T451 PolarHBondContact NE2-O 3.25Å; L420-T451 HydrophobicContact CB-CG2 4.17Å; L420-T451 HydrophobicContact CD1-CG2 3.93Å; L420-T451 HydrophobicContact CG-CG2 4.43Å; M428-T451 HydrophobicContact CG-CG2 3.75Å; M428-T451 HydrophobicContact SD-CG2 4.04Å; C432-T451 HydrophobicContact CB-CG2 3.78Å
452P98.1Very high91.7Very high9 Ų964.3 Ų64.36%0.05832%0.316CS..PPolyproline II helixtrans-62.7138.5-174.426.3-34.8000112.7P17 G21 V419 F450 V456 V458P17-P452 HydrophobicContact CG-CB 3.86Å; P17-P452 HydrophobicContact CG-CG 3.52Å; G21-P452 CarbonylContact C-O 3.58Å; G21-P452 WeakPolarHBondContact CA-O 3.13Å; V419-P452 HydrophobicContact CG1-CG 3.66Å; F450-P452 VanDerWaalsContact C-CD 3.45Å; P452-V456 WeakPolarHBondContact CB-O 3.37Å; P452-V458 HydrophobicContact CB-CG2 3.8Å; P452-V458 HydrophobicContact CG-CG2 3.73Å
453K98.1Very high91.4Very high111 Ų11170.3 Ų70.348%0.48333%0.334SS..PPolyproline II helixtrans-73.2163.2165-68.4179.5179.9-177.60110.1Q22 C455 V456Q22-K453 HydrophobicContact CB-CG 4.48Å; Q22-K453 HydrophobicContact CG-CG 4.03Å; Q22-K453 VanDerWaalsContact OE1-CG 3.23Å; K453-C455 PolarHBondContact O-N 3.48Å; K453-V456 HydrophobicContact CB-CB 4.4Å; K453-V456 HydrophobicContact CB-CG2 3.89Å; K453-V456 WeakPolarHBondContact O-CB 3.48Å; K453-V456 PolarHBondContact O-N 3.35Å
454N97.7Very high90.9Very high29 Ų2962.5 Ų62.516%0.15531%0.307CS..THydrogen-bonded Turntrans-50.1136.2167.8-70.1-22.8000112P17 G19 G21 E23 F56 V456P17-N454 CarbonylContact O-C 3.55Å; P17-N454 WeakPolarHBondContact O-CA 2.94Å; G19-N454 VanDerWaalsContact C-OD1 3.26Å; G19-N454 WeakPolarHBondContact CA-OD1 3.2Å; G19-N454 PolarHBondContact N-OD1 3.21Å; G21-N454 WeakPolarHBondContact CA-OD1 3.18Å; G21-N454 PolarHBondContact N-OD1 3.25Å; G21-N454 PolarHBondContact O-N 3.09Å; E23-N454 PolarHBondContact OE1-ND2 3.34Å; E23-N454 PolarHBondContact OE2-ND2 3.3Å; F56-N454 HydrophobicContact CD2-CB 3.87Å; F56-N454 HydrophobicContact CE2-CB 3.67Å; N454-V456 PolarHBondContact O-N 2.77Å
455C97.5Very high90.6Very high53 Ų5365.6 Ų65.636%0.35831%0.314SS..THydrogen-bonded Turntrans61.511.9-175.9-55.40000115.6P17 F56 K453 P457P17-C455 PolarHBondContact O-N 3.25Å; F56-C455 VanDerWaalsContact CB-SG 3.55Å; K453-C455 PolarHBondContact O-N 3.48Å; C455-P457 WeakPolarHBondContact O-CD 3.36Å
456V97.7Very high90.7Very high73 Ų7371.5 Ų71.544%0.44234%0.339SS..  trans-102.8109.9174.3-178.90000109.4P452 K453 N454P452-V456 WeakPolarHBondContact CB-O 3.37Å; K453-V456 HydrophobicContact CB-CB 4.4Å; K453-V456 HydrophobicContact CB-CG2 3.89Å; K453-V456 WeakPolarHBondContact O-CB 3.48Å; K453-V456 PolarHBondContact O-N 3.35Å; N454-V456 PolarHBondContact O-N 2.77Å
457P97.3Very high90.7Very high52 Ų5266.9 Ų66.934%0.33833%0.333SS..  trans-76.3137.3-178.128.3-33.2000112.6T14 I15 M16 C455T14-P457 HydrophobicContact CG2-CB 3.47Å; T14-P457 VanDerWaalsContact CG2-CB 3.47Å; I15-P457 CarbonylContact O-C 3.32Å; I15-P457 WeakPolarHBondContact O-CA 3.33Å; M16-P457 HydrophobicContact CB-CB 4.25Å; M16-P457 HydrophobicContact CG-CB 4.43Å; M16-P457 HydrophobicContact SD-CB 4.49Å; C455-P457 WeakPolarHBondContact O-CD 3.36Å
458V97.7Very high90.6Very high11 Ų1167.7 Ų67.77%0.06734%0.342CS..EExtended strand (participates in β ladder)trans-89122.7161.7-178.30000107.9T14 I15 V419 F450 P452 L460T14-V458 WeakPolarHBondContact CA-O 3.46Å; I15-V458 HydrophobicContact CB-CB 4.43Å; I15-V458 PolarHBondContact N-O 2.91Å; I15-V458 PolarHBondContact O-N 2.8Å; V419-V458 HydrophobicContact CG1-CG2 4.4Å; V419-V458 HydrophobicContact CG2-CG1 4.48Å; F450-V458 HydrophobicContact CB-CG1 4.24Å; F450-V458 HydrophobicContact CB-CG2 3.84Å; F450-V458 HydrophobicContact CD1-CG1 3.77Å; F450-V458 HydrophobicContact CD1-CG2 4.36Å; F450-V458 HydrophobicContact CD2-CG1 3.83Å; F450-V458 HydrophobicContact CE1-CG1 4.05Å; F450-V458 HydrophobicContact CE2-CG1 4.11Å; F450-V458 HydrophobicContact CG-CG1 3.66Å; F450-V458 HydrophobicContact CG-CG2 4.14Å; F450-V458 HydrophobicContact CZ-CG1 4.22Å; P452-V458 HydrophobicContact CB-CG2 3.8Å; P452-V458 HydrophobicContact CG-CG2 3.73Å; V458-L460 HydrophobicContact CG1-CD2 3.86Å; V458-L460 HydrophobicContact CG1-CG 4.08Å
459N96.9Very high90.3Very high81 Ų8171.2 Ų71.243%0.43336%0.357SS..EExtended strand (participates in β ladder)trans-111.1110.3-177.4-59.5-63.2000109.7K12 T14K12-N459 WeakPolarHBondContact CE-OD1 3.43Å; K12-N459 HydrophobicContact CG-CB 4.41Å; K12-N459 PolarHBondContact NZ-OD1 3.41Å; T14-N459 WeakPolarHBondContact CG2-OD1 3.15Å; T14-N459 PolarHBondContact OG1-OD1 3.38Å
460L95.3Very high89.9Confident7 Ų772.1 Ų72.14%0.03736%0.361CS..EExtended strand (participates in β ladder)trans-109.2147.2178.3-53.5179.7000109.1K12 L13 I15 V204 Y417 F450 V458 F462K12-L460 CarbonylContact C-O 3.49Å; K12-L460 WeakPolarHBondContact CA-O 3.42Å; L13-L460 HydrophobicContact CB-CB 4.44Å; L13-L460 HydrophobicContact CD2-CB 4.21Å; L13-L460 HydrophobicContact CD2-CD1 4.03Å; L13-L460 HydrophobicContact CD2-CG 4.37Å; L13-L460 PolarHBondContact N-O 2.87Å; L13-L460 PolarHBondContact O-N 3.01Å; I15-L460 HydrophobicContact CD1-CD1 4.46Å; V204-L460 HydrophobicContact CG1-CD1 4.2Å; V204-L460 HydrophobicContact CG2-CD1 3.75Å; Y417-L460 HydrophobicContact CD1-CD1 4.27Å; Y417-L460 HydrophobicContact CD1-CD2 3.73Å; Y417-L460 HydrophobicContact CD2-CD1 3.97Å; Y417-L460 HydrophobicContact CE1-CD2 3.97Å; Y417-L460 HydrophobicContact CG-CD1 3.74Å; Y417-L460 HydrophobicContact CG-CD2 4.09Å; F450-L460 HydrophobicContact CE2-CD2 3.75Å; F450-L460 HydrophobicContact CZ-CD2 3.78Å; V458-L460 HydrophobicContact CG1-CD2 3.86Å; V458-L460 HydrophobicContact CG1-CG 4.08Å; L460-F462 HydrophobicContact CB-CD2 4.29Å; L460-F462 HydrophobicContact CB-CE2 3.71Å; L460-F462 HydrophobicContact CD1-CE2 4.21Å
461R91.6Very high89.3Confident138 Ų13871.5 Ų71.552%0.52136%0.36SS..EExtended strand (participates in β ladder)trans-111.7123.5178.8-68.9-177.6-178.9-100.4-0.9109.6
462F90.2Very high88.7Confident26 Ų2670.9 Ų70.911%0.11436%0.36CS..  trans-122.8107.6175.8-71-84000109.1D11 L13 F33 V176 D203 V204 Y417 L460 G464D11-F462 PolarHBondContact O-N 2.91Å; L13-F462 HydrophobicContact CB-CD2 3.89Å; L13-F462 HydrophobicContact CB-CE2 4.19Å; L13-F462 HydrophobicContact CD1-CD2 4.34Å; L13-F462 HydrophobicContact CD1-CE2 4.29Å; L13-F462 HydrophobicContact CD2-CE2 4.34Å; F33-F462 HydrophobicContact CE2-CB 4.33Å; F33-F462 HydrophobicContact CZ-CB 3.97Å; V176-F462 HydrophobicContact CB-CG 4.49Å; V176-F462 HydrophobicContact CG1-CD1 4.02Å; V176-F462 HydrophobicContact CG1-CD2 3.95Å; V176-F462 HydrophobicContact CG1-CE1 4.09Å; V176-F462 HydrophobicContact CG1-CE2 4.01Å; V176-F462 HydrophobicContact CG1-CG 3.95Å; V176-F462 HydrophobicContact CG1-CZ 4.08Å; V176-F462 HydrophobicContact CG2-CB 3.52Å; V176-F462 HydrophobicContact CG2-CD1 3.9Å; V176-F462 HydrophobicContact CG2-CD2 4.31Å; V176-F462 HydrophobicContact CG2-CG 3.65Å; D203-F462 HydrophobicContact CB-CE1 3.77Å; D203-F462 HydrophobicContact CB-CZ 4.07Å; V204-F462 HydrophobicContact CG2-CE2 3.84Å; V204-F462 HydrophobicContact CG2-CZ 3.54Å; Y417-F462 HydrophobicContact CD2-CE1 4.36Å; Y417-F462 AromaticContact CD2-CZ 3.69Å; Y417-F462 HydrophobicContact CD2-CZ 3.69Å; Y417-F462 AromaticContact CE2-CE1 3.99Å; Y417-F462 HydrophobicContact CE2-CE1 3.99Å; Y417-F462 HydrophobicContact CE2-CE2 4.43Å; Y417-F462 AromaticContact CE2-CZ 3.62Å; Y417-F462 HydrophobicContact CE2-CZ 3.62Å; L460-F462 HydrophobicContact CB-CD2 4.29Å; L460-F462 HydrophobicContact CB-CE2 3.71Å; L460-F462 HydrophobicContact CD1-CE2 4.21Å; F462-G464 PolarHBondContact O-N 2.87Å
463R75.5Confident88.2Confident182 Ų18272.6 Ų72.669%0.68737%0.373SS*.  trans-79.3109.4171.4-171.3177.7-177.5156.94.4107.8D5D5-R463 IonicContact OD1-CZ 2.57Å; D5-R463 IonicContact OD1-NH1 3.43Å; D5-R463 PolarHBondContact OD1-NH1 3.18Å; D5-R463 IonicContact OD1-NH2 3.65Å
464G66.5Low87.6Confident33 Ų3369.5 Ų69.534%0.3436%0.361SS..  trans-83.9122.5169.100000109.8F462 K466F462-G464 PolarHBondContact O-N 2.87Å; G464-K466 PolarHBondContact O-N 3.25Å
465E70.8Confident87Confident175 Ų17570.6 Ų70.682%0.81837%0.374SS*.  trans-64.2121.2160.5-69.7-172.8169.400108.3V467E465-V467 PolarHBondContact O-N 3.18Å
466K77.2Confident86.3Confident127 Ų12776 Ų7655%0.55239%0.393SS*.  trans-76.395.3177.8-67.7175.7-174.9166.80108E8 G464 Y496E8-K466 IonicContact OE1-NZ 3.98Å; E8-K466 PolarHBondContact OE1-NZ 3.01Å; E8-K466 VanDerWaalsContact OE1-NZ 3.07Å; G464-K466 PolarHBondContact O-N 3.25Å; K466-Y496 HydrophobicContact CB-CE2 4.24Å; K466-Y496 HydrophobicContact CG-CE2 4.18Å
467V80.8Confident85.5Confident103 Ų10375.9 Ų75.962%0.62440%0.396SS*.  trans-84.8121.3176.4-176.70000109.9E465E465-V467 PolarHBondContact O-N 3.18Å
468A87.4Confident84.8Confident39 Ų3977.4 Ų77.432%0.32241%0.413SS..EExtended strand (participates in β ladder)trans-105.7133172.400000111L489 Y496 I498A468-L489 HydrophobicContact CB-CD1 4.1Å; A468-Y496 CarbonylContact C-O 3.1Å; A468-Y496 WeakPolarHBondContact CA-O 3.4Å; A468-I498 HydrophobicContact CB-CD1 3.86Å; A468-I498 HydrophobicContact CB-CG1 4.04Å
469K87.3Confident83.9Confident139 Ų13980.4 Ų80.460%0.60443%0.433SS*.EExtended strand (participates in β ladder)trans-95.1129.5175.6-66.3-177.4-179.3179.70110.1Y496 H497 I498K469-Y496 PolarHBondContact N-O 3.35Å; K469-H497 CarbonylContact O-C 3.41Å; K469-H497 VanDerWaalsContact O-CA 3.24Å; K469-H497 WeakPolarHBondContact O-CA 3.4Å; K469-I498 PolarHBondContact O-N 3Å
470I88.2Confident83.3Confident37 Ų3784.4 Ų84.419%0.1945%0.446CS..EExtended strand (participates in β ladder)trans-79.9131.9173.5-56.5176.1000108.6L474 A475 P479 I485 I498I470-L474 HydrophobicContact CG2-CB 3.25Å; I470-L474 HydrophobicContact CG2-CD1 4.47Å; I470-L474 HydrophobicContact CG2-CG 4.48Å; I470-A475 HydrophobicContact CG2-CB 4.24Å; I470-P479 HydrophobicContact CD1-CB 4.03Å; I470-P479 HydrophobicContact CD1-CG 3.8Å; I470-I485 HydrophobicContact CD1-CD1 3.53Å; I470-I485 HydrophobicContact CD1-CG2 4.34Å; I470-I498 CarbonylContact C-O 3.49Å; I470-I498 WeakPolarHBondContact CA-O 3.46Å; I470-I498 HydrophobicContact CG1-CB 4.45Å
471L85.9Confident82.8Confident46 Ų4693.5 Ų93.524%0.24149%0.489CS..  trans-122.5162.8-179.1-61.4-178.1000111.4H497 I498 L499 Y507L471-H497 HydrophobicContact CD1-CB 3.82Å; L471-H497 HydrophobicContact CG-CB 4.35Å; L471-I498 PolarHBondContact N-O 3.11Å; L471-L499 HydrophobicContact CB-CB 4.48Å; L471-L499 HydrophobicContact CD1-CD2 4.34Å; L471-Y507 HydrophobicContact CD1-CD1 4.33Å; L471-Y507 HydrophobicContact CD1-CG 4.39Å
472G86Confident82.5Confident17 Ų1790.5 Ų90.518%0.17550%0.5CS..G310 helixtrans64.7-142.7173.600000113.1L474 A475 Y507G472-L474 PolarHBondContact O-N 3.45Å; G472-A475 WeakPolarHBondContact O-CB 3.29Å; G472-A475 PolarHBondContact O-N 3.02Å; G472-Y507 WeakPolarHBondContact CA-OH 2.87Å
473S87.3Confident82.3Confident46 Ų4693.5 Ų93.532%0.32252%0.515SS..G310 helixtrans-62.8-24.7-174.358.70000114.3A475 H476 T500 E503S473-A475 PolarHBondContact O-N 2.67Å; S473-H476 VanDerWaalsContact CA-ND1 3.27Å; S473-H476 WeakPolarHBondContact CA-ND1 3.41Å; S473-H476 PolarHBondContact O-N 3.03Å; S473-H476 PolarHBondContact O-ND1 3.36Å; S473-T500 WeakPolarHBondContact OG-CG2 3.29Å; S473-E503 WeakPolarHBondContact CB-OE1 3.4Å; S473-E503 VanDerWaalsContact N-CD 3.3Å; S473-E503 PolarHBondContact N-OE1 3.37Å; S473-E503 PolarHBondContact N-OE2 3.08Å; S473-E503 PolarHBondContact OG-OE1 3.37Å; S473-E503 PolarHBondContact OG-OE2 2.85Å
474L85.4Confident82.8Confident46 Ų4691.1 Ų91.124%0.24152%0.521CS..G310 helixtrans-68.9-20.1174-68.8172.6000113I470 G472 I498 T500I470-L474 HydrophobicContact CG2-CB 3.25Å; I470-L474 HydrophobicContact CG2-CD1 4.47Å; I470-L474 HydrophobicContact CG2-CG 4.48Å; G472-L474 PolarHBondContact O-N 3.45Å; L474-I498 HydrophobicContact CD1-CG2 3.99Å; L474-T500 HydrophobicContact CD1-CG2 4.09Å; L474-T500 HydrophobicContact CD2-CG2 4.1Å; L474-T500 HydrophobicContact CG-CG2 3.64Å
475A84.7Confident83.7Confident52 Ų5292.8 Ų92.843%0.4352%0.521SS..G310 helixtrans-89.71.7-17800000113.9I470 G472 S473 S477I470-A475 HydrophobicContact CG2-CB 4.24Å; G472-A475 WeakPolarHBondContact O-CB 3.29Å; G472-A475 PolarHBondContact O-N 3.02Å; S473-A475 PolarHBondContact O-N 2.67Å; A475-S477 PolarHBondContact O-N 3Å
476H83.2Confident84.4Confident165 Ų16589.3 Ų89.376%0.76452%0.516SS*.SBendtrans-58.5-34.8179.1-78.898.2000113.1S473S473-H476 VanDerWaalsContact CA-ND1 3.27Å; S473-H476 WeakPolarHBondContact CA-ND1 3.41Å; S473-H476 PolarHBondContact O-N 3.03Å; S473-H476 PolarHBondContact O-ND1 3.36Å
477S80.3Confident85Confident72 Ų7285 Ų8550%0.50351%0.508SS..SBendtrans-121132.6173.257.70000109.4A475A475-S477 PolarHBondContact O-N 3Å
478A82Confident85.4Confident84 Ų8482.6 Ų82.669%0.69449%0.494SS*.PPolyproline II helixtrans-54.6130.9172.400000109.9
479P80.1Confident85.6Confident74 Ų7485.6 Ų85.648%0.48150%0.504SS..PPolyproline II helixtrans-63.1140.3-179.927.4-35.6000110.5I470 I485I470-P479 HydrophobicContact CD1-CB 4.03Å; I470-P479 HydrophobicContact CD1-CG 3.8Å; P479-I485 HydrophobicContact CB-CD1 3.58Å
480K84.1Confident85.7Confident164 Ų16480.1 Ų80.171%0.71348%0.482SS*.PPolyproline II helixtrans-100.5149.9174.7-63.3-179.7-177.9177.60110.6G482 Q483K480-G482 PolarHBondContact O-N 2.76Å; K480-Q483 HydrophobicContact CB-CB 4.37Å; K480-Q483 WeakPolarHBondContact O-CB 3.45Å; K480-Q483 PolarHBondContact O-N 3.34Å
481E83.5Confident85.8Confident199 Ų19984.4 Ų84.493%0.9350%0.499SS*.THydrogen-bonded Turntrans-54.8130.8172.9-169.458.8-148.900110.4Q483E481-Q483 VanDerWaalsContact C-N 3.28Å; E481-Q483 PolarHBondContact O-N 2.71Å
482G86.2Confident85.7Confident74 Ų7488.9 Ų88.976%0.76352%0.516SS*.THydrogen-bonded Turntrans78.4-3.7-17500000116.1K480 T484K480-G482 PolarHBondContact O-N 2.76Å; G482-T484 PolarHBondContact O-N 3.08Å
483Q86Confident85.6Confident89 Ų8991.1 Ų91.142%0.41652%0.524SS..  trans-69.2130.2174-176.5178.8-8.400110.5K480 E481 I485K480-Q483 HydrophobicContact CB-CB 4.37Å; K480-Q483 WeakPolarHBondContact O-CB 3.45Å; K480-Q483 PolarHBondContact O-N 3.34Å; E481-Q483 VanDerWaalsContact C-N 3.28Å; E481-Q483 PolarHBondContact O-N 2.71Å; Q483-I485 PolarHBondContact O-N 2.93Å
484T85.5Confident85.4Confident133 Ų13391 Ų9182%0.81652%0.518SS*.  trans-74.8125.5171.2-56.70000109.9G482G482-T484 PolarHBondContact O-N 3.08Å
485I85.6Confident85.3Confident67 Ų6791 Ų9134%0.34453%0.525SS..  trans-117.1125.1177.7-53.8177.3000107.4I470 P479 Q483 I498I470-I485 HydrophobicContact CD1-CD1 3.53Å; I470-I485 HydrophobicContact CD1-CG2 4.34Å; P479-I485 HydrophobicContact CB-CD1 3.58Å; Q483-I485 PolarHBondContact O-N 2.93Å; I485-I498 HydrophobicContact CG2-CG2 4.4Å
486S86.7Confident85.5Confident103 Ų10390.4 Ų90.472%0.7251%0.511SS*.  trans-120.2130.4179.5-173.90000109.8
487G88.5Confident85.8Confident37 Ų3785 Ų8538%0.38149%0.487SS..  trans-179-178.6-176.700000111.8L499G487-L499 CarbonylContact C-O 3.51Å; G487-L499 VanDerWaalsContact CA-O 3.31Å; G487-L499 WeakPolarHBondContact CA-O 3.37Å
488V89.9Confident86.3Confident52 Ų5283.5 Ų83.532%0.31547%0.472SS..EExtended strand (participates in β ladder)trans-91124.8172.5-1770000108.4V490 I498 L499 P501 L504V488-V490 HydrophobicContact CG1-CG2 4.22Å; V488-I498 WeakPolarHBondContact O-CA 3.47Å; V488-L499 PolarHBondContact N-O 3.29Å; V488-L499 PolarHBondContact O-N 3.38Å; V488-L499 VanDerWaalsContact O-N 3.09Å; V488-P501 HydrophobicContact CG2-CB 4.14Å; V488-P501 HydrophobicContact CG2-CG 3.85Å; V488-L504 HydrophobicContact CG1-CD1 4.44Å
489L91.8Very high86.7Confident102 Ų10279.5 Ų79.553%0.53444%0.44SS..EExtended strand (participates in β ladder)trans-86.5114.5171.2-177.673.6000109.4A468 Y496 H497 I498A468-L489 HydrophobicContact CB-CD1 4.1Å; L489-Y496 HydrophobicContact CD1-CD1 4.37Å; L489-Y496 HydrophobicContact CD2-CD1 4.31Å; L489-Y496 HydrophobicContact CG-CD1 4.49Å; L489-H497 CarbonylContact C-O 3.58Å; L489-H497 WeakPolarHBondContact CA-O 3.4Å; L489-I498 HydrophobicContact CD1-CD1 4.24Å; L489-I498 HydrophobicContact CD1-CG1 3.51Å
490V89.8Confident87.1Confident24 Ų2477.5 Ų77.515%0.14543%0.426CS..EExtended strand (participates in β ladder)trans-102.6126.8174.9-176.60000108.9V488 H497 L499 L504 T508V488-V490 HydrophobicContact CG1-CG2 4.22Å; V490-H497 PolarHBondContact N-O 3.41Å; V490-H497 PolarHBondContact O-N 2.67Å; V490-L499 HydrophobicContact CB-CD2 4.35Å; V490-L499 HydrophobicContact CG2-CD1 4.19Å; V490-L499 HydrophobicContact CG2-CD2 3.97Å; V490-L499 HydrophobicContact CG2-CG 4.25Å; V490-L504 HydrophobicContact CG2-CD1 3.46Å; V490-L504 VanDerWaalsContact CG2-CD1 3.46Å; V490-T508 HydrophobicContact CB-CG2 4.48Å; V490-T508 HydrophobicContact CG1-CG2 3.96Å; V490-T508 HydrophobicContact CG2-CG2 4.12Å
491K88.8Confident87.2Confident126 Ų12673.5 Ų73.555%0.54842%0.416SS..EExtended strand (participates in β ladder)trans-108.2117.1173.3-179.9-173.3175.1-178.90109.3N493 A495 Y496K491-N493 WeakPolarHBondContact CE-O 3.47Å; K491-N493 WeakPolarHBondContact CG-O 3.22Å; K491-A495 WeakPolarHBondContact CA-O 2.94Å; K491-Y496 HydrophobicContact CB-CD1 4.04Å; K491-Y496 HydrophobicContact CB-CE1 4.01Å; K491-Y496 HydrophobicContact CD-CD1 4.49Å; K491-Y496 HydrophobicContact CD-CE1 3.65Å; K491-Y496 WeakPolarHBondContact CE-OH 3.44Å; K491-Y496 HydrophobicContact CG-CD1 4.08Å; K491-Y496 HydrophobicContact CG-CE1 3.7Å
492K84.6Confident87.3Confident140 Ų14066.9 Ų66.961%0.60940%0.402SS*.EExtended strand (participates in β ladder)trans-113110.1169.2-173.6174.2179.9172.80108.1F494 A495K492-F494 PolarHBondContact O-N 3.08Å; K492-A495 PolarHBondContact N-O 3.09Å; K492-A495 PolarHBondContact O-N 3Å
493N83.3Confident87.3Confident64 Ų6465.3 Ų65.334%0.34238%0.375SS..THydrogen-bonded Turntrans53.9-109.3-170.2-60.6-30.2000111.6E149 G152 K491E149-N493 PolarHBondContact OE1-ND2 3.29Å; E149-N493 VanDerWaalsContact OE1-ND2 3.12Å; G152-N493 WeakPolarHBondContact CA-ND2 3.38Å; G152-N493 PolarHBondContact N-ND2 3.29Å; K491-N493 WeakPolarHBondContact CE-O 3.47Å; K491-N493 WeakPolarHBondContact CG-O 3.22Å
494F82.6Confident87.3Confident45 Ų4562.1 Ų62.120%0.19736%0.361CS..THydrogen-bonded Turntrans-106.2-2177.8-55.2-64000113.4K34 K36 G152 I173 A174 K492 Y496K34-F494 HydrophobicContact CB-CE1 3.47Å; K34-F494 VanDerWaalsContact CB-CE1 3.47Å; K34-F494 HydrophobicContact CB-CZ 3.7Å; K34-F494 HydrophobicContact CD-CD1 4.08Å; K34-F494 HydrophobicContact CD-CE1 3.81Å; K34-F494 HydrophobicContact CG-CE1 4.12Å; K36-F494 HydrophobicContact CG-CE2 4.39Å; K36-F494 HydrophobicContact CG-CZ 4.01Å; G152-F494 WeakPolarHBondContact O-CD2 3.26Å; G152-F494 WeakPolarHBondContact O-CE2 3.44Å; I173-F494 HydrophobicContact CG2-CD2 4.45Å; I173-F494 HydrophobicContact CG2-CE2 3.62Å; I173-F494 HydrophobicContact CG2-CZ 3.78Å; A174-F494 HydrophobicContact CB-CB 3.99Å; A174-F494 HydrophobicContact CB-CD1 3.7Å; A174-F494 HydrophobicContact CB-CD2 4.07Å; A174-F494 HydrophobicContact CB-CE1 4.19Å; A174-F494 HydrophobicContact CB-CG 3.63Å; K492-F494 PolarHBondContact O-N 3.08Å; F494-Y496 WeakPolarHBondContact O-CD2 3.42Å; F494-Y496 WeakPolarHBondContact O-CE2 3.32Å
495A83.6Confident87.4Confident45 Ų4558.7 Ų58.737%0.37234%0.34SS..EExtended strand (participates in β ladder)trans-87.5132.3176.100000110.7K491 K492K491-A495 WeakPolarHBondContact CA-O 2.94Å; K492-A495 PolarHBondContact N-O 3.09Å; K492-A495 PolarHBondContact O-N 3Å
496Y89.6Confident87.5Confident39 Ų3960.2 Ų60.215%0.15335%0.353CS..EExtended strand (participates in β ladder)trans-112.9131.9177.9-63.5-91.7000110K466 A468 K469 L489 K491 F494K466-Y496 HydrophobicContact CB-CE2 4.24Å; K466-Y496 HydrophobicContact CG-CE2 4.18Å; A468-Y496 CarbonylContact C-O 3.1Å; A468-Y496 WeakPolarHBondContact CA-O 3.4Å; K469-Y496 PolarHBondContact N-O 3.35Å; L489-Y496 HydrophobicContact CD1-CD1 4.37Å; L489-Y496 HydrophobicContact CD2-CD1 4.31Å; L489-Y496 HydrophobicContact CG-CD1 4.49Å; K491-Y496 HydrophobicContact CB-CD1 4.04Å; K491-Y496 HydrophobicContact CB-CE1 4.01Å; K491-Y496 HydrophobicContact CD-CD1 4.49Å; K491-Y496 HydrophobicContact CD-CE1 3.65Å; K491-Y496 WeakPolarHBondContact CE-OH 3.44Å; K491-Y496 HydrophobicContact CG-CD1 4.08Å; K491-Y496 HydrophobicContact CG-CE1 3.7Å; F494-Y496 WeakPolarHBondContact O-CD2 3.42Å; F494-Y496 WeakPolarHBondContact O-CE2 3.32Å
497H89.6Confident87.4Confident52 Ų5260.9 Ų60.924%0.24134%0.341CS..EExtended strand (participates in β ladder)trans-128.8136.7178-61.5-63.3000110.5K469 L471 L489 V490 L499K469-H497 CarbonylContact O-C 3.41Å; K469-H497 VanDerWaalsContact O-CA 3.24Å; K469-H497 WeakPolarHBondContact O-CA 3.4Å; L471-H497 HydrophobicContact CD1-CB 3.82Å; L471-H497 HydrophobicContact CG-CB 4.35Å; L489-H497 CarbonylContact C-O 3.58Å; L489-H497 WeakPolarHBondContact CA-O 3.4Å; V490-H497 PolarHBondContact N-O 3.41Å; V490-H497 PolarHBondContact O-N 2.67Å; H497-L499 HydrophobicContact CB-CD2 3.67Å
498I91Very high87.2Confident40 Ų4060.7 Ų60.721%0.20533%0.332CS..EExtended strand (participates in β ladder)trans-112.5125.2173.7-59169.6000107.8A468 K469 I470 L471 L474 I485 V488 L489A468-I498 HydrophobicContact CB-CD1 3.86Å; A468-I498 HydrophobicContact CB-CG1 4.04Å; K469-I498 PolarHBondContact O-N 3Å; I470-I498 CarbonylContact C-O 3.49Å; I470-I498 WeakPolarHBondContact CA-O 3.46Å; I470-I498 HydrophobicContact CG1-CB 4.45Å; L471-I498 PolarHBondContact N-O 3.11Å; L474-I498 HydrophobicContact CD1-CG2 3.99Å; I485-I498 HydrophobicContact CG2-CG2 4.4Å; V488-I498 WeakPolarHBondContact O-CA 3.47Å; L489-I498 HydrophobicContact CD1-CD1 4.24Å; L489-I498 HydrophobicContact CD1-CG1 3.51Å
499L90.1Very high86.9Confident1 Ų167.2 Ų67.21%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-143.2163.4-176.635.4143.8000110.7L471 G487 V488 V490 H497 L504 T508L471-L499 HydrophobicContact CB-CB 4.48Å; L471-L499 HydrophobicContact CD1-CD2 4.34Å; G487-L499 CarbonylContact C-O 3.51Å; G487-L499 VanDerWaalsContact CA-O 3.31Å; G487-L499 WeakPolarHBondContact CA-O 3.37Å; V488-L499 PolarHBondContact N-O 3.29Å; V488-L499 PolarHBondContact O-N 3.38Å; V488-L499 VanDerWaalsContact O-N 3.09Å; V490-L499 HydrophobicContact CB-CD2 4.35Å; V490-L499 HydrophobicContact CG2-CD1 4.19Å; V490-L499 HydrophobicContact CG2-CD2 3.97Å; V490-L499 HydrophobicContact CG2-CG 4.25Å; H497-L499 HydrophobicContact CB-CD2 3.67Å; L499-L504 HydrophobicContact CD1-CB 4.19Å; L499-L504 HydrophobicContact CD1-CD1 3.59Å; L499-L504 HydrophobicContact CD1-CG 4.5Å; L499-T508 HydrophobicContact CD1-CG2 4.42Å
500T88.8Confident86.5Confident31 Ų3167.1 Ų67.119%0.1936%0.359CS..  trans-72.1150.1172.467.20000110.9S473 L474 G502 E503 L504S473-T500 WeakPolarHBondContact OG-CG2 3.29Å; L474-T500 HydrophobicContact CD1-CG2 4.09Å; L474-T500 HydrophobicContact CD2-CG2 4.1Å; L474-T500 HydrophobicContact CG-CG2 3.64Å; T500-G502 PolarHBondContact O-N 3.13Å; T500-E503 PolarHBondContact O-N 3.38Å; T500-E503 VanDerWaalsContact O-N 3.1Å; T500-E503 WeakPolarHBondContact OG1-CG 3.39Å; T500-E503 PolarHBondContact OG1-OE2 3.25Å; T500-L504 PolarHBondContact O-N 3.05Å
501P86.1Confident86.1Confident80 Ų8070.1 Ų70.152%0.51939%0.386SS..G310 helixtrans-54.9-35.6177.9-24.330.7000113.9V488 E503 L504V488-P501 HydrophobicContact CG2-CB 4.14Å; V488-P501 HydrophobicContact CG2-CG 3.85Å; P501-E503 VanDerWaalsContact C-N 3.3Å; P501-E503 PolarHBondContact O-N 3.48Å; P501-L504 WeakPolarHBondContact O-CB 3.2Å; P501-L504 PolarHBondContact O-N 3.21Å
502G84.7Confident85.7Confident61 Ų6167.6 Ų67.663%0.62938%0.381SS*.G310 helixtrans-71-22.3-179.200000114.3T500T500-G502 PolarHBondContact O-N 3.13Å
503E86.8Confident85.6Confident40 Ų4067 Ų6719%0.18739%0.389CS..G310 helixtrans-97.21.3-179.8-66.4171.4129.800112.6S473 T500 P501 T506 Y507S473-E503 WeakPolarHBondContact CB-OE1 3.4Å; S473-E503 VanDerWaalsContact N-CD 3.3Å; S473-E503 PolarHBondContact N-OE1 3.37Å; S473-E503 PolarHBondContact N-OE2 3.08Å; S473-E503 PolarHBondContact OG-OE1 3.37Å; S473-E503 PolarHBondContact OG-OE2 2.85Å; T500-E503 PolarHBondContact O-N 3.38Å; T500-E503 VanDerWaalsContact O-N 3.1Å; T500-E503 WeakPolarHBondContact OG1-CG 3.39Å; T500-E503 PolarHBondContact OG1-OE2 3.25Å; P501-E503 VanDerWaalsContact C-N 3.3Å; P501-E503 PolarHBondContact O-N 3.48Å; E503-T506 WeakPolarHBondContact O-CA 3.43Å; E503-T506 VanDerWaalsContact O-CB 3.29Å; E503-T506 WeakPolarHBondContact O-CB 3.37Å; E503-T506 PolarHBondContact O-N 3.34Å; E503-Y507 HydrophobicContact CB-CD2 4Å; E503-Y507 HydrophobicContact CB-CE2 4.01Å; E503-Y507 WeakPolarHBondContact O-CD2 3.25Å; E503-Y507 PolarHBondContact O-N 3.15Å
504L86.4Confident85.7Confident23 Ų2368 Ų6812%0.1240%0.398CS..Hα-helixtrans-54.5-45.7176.9-169.969.1000112.3V488 V490 L499 T500 P501 T506 Y507 T508 L510 T512V488-L504 HydrophobicContact CG1-CD1 4.44Å; V490-L504 HydrophobicContact CG2-CD1 3.46Å; V490-L504 VanDerWaalsContact CG2-CD1 3.46Å; L499-L504 HydrophobicContact CD1-CB 4.19Å; L499-L504 HydrophobicContact CD1-CD1 3.59Å; L499-L504 HydrophobicContact CD1-CG 4.5Å; T500-L504 PolarHBondContact O-N 3.05Å; P501-L504 WeakPolarHBondContact O-CB 3.2Å; P501-L504 PolarHBondContact O-N 3.21Å; L504-T506 PolarHBondContact O-N 2.93Å; L504-Y507 PolarHBondContact O-N 3.15Å; L504-T508 HydrophobicContact CD1-CG2 3.83Å; L504-T508 WeakPolarHBondContact O-CA 3.41Å; L504-T508 WeakPolarHBondContact O-CB 3.44Å; L504-T508 PolarHBondContact O-N 3.17Å; L504-T508 PolarHBondContact O-OG1 2.97Å; L504-L510 HydrophobicContact CD1-CD1 4.32Å; L504-L510 HydrophobicContact CD2-CB 4.1Å; L504-L510 HydrophobicContact CD2-CD1 4.23Å; L504-L510 HydrophobicContact CG-CB 4.17Å; L504-L510 HydrophobicContact CG-CD1 4.45Å; L504-T512 HydrophobicContact CB-CG2 3.94Å; L504-T512 HydrophobicContact CD2-CG2 3.92Å; L504-T512 HydrophobicContact CG-CG2 4.43Å
505P87.1Confident86.2Confident60 Ų6070 Ų7039%0.3941%0.413SS..Hα-helixtrans-70.3-16.9176.7-16.432.3000113.7L510 T512P505-L510 WeakPolarHBondContact CA-O 3.44Å; P505-T512 HydrophobicContact CG-CG2 3.9Å; P505-T512 WeakPolarHBondContact CG-OG1 2.82Å
506T87.2Confident86.6Confident100 Ų10072.5 Ų72.561%0.61342%0.42SS*.Hα-helixtrans-79-38179.4-50.10000111.4E503 L504E503-T506 WeakPolarHBondContact O-CA 3.43Å; E503-T506 VanDerWaalsContact O-CB 3.29Å; E503-T506 WeakPolarHBondContact O-CB 3.37Å; E503-T506 PolarHBondContact O-N 3.34Å; L504-T506 PolarHBondContact O-N 2.93Å
507Y84.8Confident86.9Confident117 Ų11774.2 Ų74.246%0.45943%0.43SS..Hα-helixtrans-108.6-8-174.8-64.5-74.2000114.1L471 G472 E503 L504L471-Y507 HydrophobicContact CD1-CD1 4.33Å; L471-Y507 HydrophobicContact CD1-CG 4.39Å; G472-Y507 WeakPolarHBondContact CA-OH 2.87Å; E503-Y507 HydrophobicContact CB-CD2 4Å; E503-Y507 HydrophobicContact CB-CE2 4.01Å; E503-Y507 WeakPolarHBondContact O-CD2 3.25Å; E503-Y507 PolarHBondContact O-N 3.15Å; L504-Y507 PolarHBondContact O-N 3.15Å
508T84Confident87.2Confident32 Ų3276 Ų7620%0.19644%0.444CS..SBendtrans-135.4162.9-179.677.80000110.9V490 L499 L504 L510V490-T508 HydrophobicContact CB-CG2 4.48Å; V490-T508 HydrophobicContact CG1-CG2 3.96Å; V490-T508 HydrophobicContact CG2-CG2 4.12Å; L499-T508 HydrophobicContact CD1-CG2 4.42Å; L504-T508 HydrophobicContact CD1-CG2 3.83Å; L504-T508 WeakPolarHBondContact O-CA 3.41Å; L504-T508 WeakPolarHBondContact O-CB 3.44Å; L504-T508 PolarHBondContact O-N 3.17Å; L504-T508 PolarHBondContact O-OG1 2.97Å; T508-L510 PolarHBondContact O-N 2.98Å; T508-L510 WeakPolarHBondContact OG1-CB 3.39Å; T508-L510 PolarHBondContact OG1-N 3.13Å
509E84.5Confident87.3Confident190 Ų19076.4 Ų76.489%0.88845%0.446SS*.SBendtrans-75.72.6173.7-64.9170.4-158.700112.7
510L83.5Confident87.5Confident100 Ų10079.5 Ų79.552%0.52447%0.468SS..PPolyproline II helixtrans-83.9120.6-178-57.3174.3000110.4L504 P505 T508L504-L510 HydrophobicContact CD1-CD1 4.32Å; L504-L510 HydrophobicContact CD2-CB 4.1Å; L504-L510 HydrophobicContact CD2-CD1 4.23Å; L504-L510 HydrophobicContact CG-CB 4.17Å; L504-L510 HydrophobicContact CG-CD1 4.45Å; P505-L510 WeakPolarHBondContact CA-O 3.44Å; T508-L510 PolarHBondContact O-N 2.98Å; T508-L510 WeakPolarHBondContact OG1-CB 3.39Å; T508-L510 PolarHBondContact OG1-N 3.13Å
511A80.4Confident87.7Confident86 Ų8678.4 Ų78.471%0.71146%0.461SS*.PPolyproline II helixtrans-77.6137.2168.500000110.5
512T80.5Confident87.9Confident74 Ų7479.8 Ų79.845%0.45447%0.47SS..PPolyproline II helixtrans-94.9135.5171.551.90000109.9L504 P505L504-T512 HydrophobicContact CB-CG2 3.94Å; L504-T512 HydrophobicContact CD2-CG2 3.92Å; L504-T512 HydrophobicContact CG-CG2 4.43Å; P505-T512 HydrophobicContact CG-CG2 3.9Å; P505-T512 WeakPolarHBondContact CG-OG1 2.82Å
513T83.1Confident88.1Confident126 Ų12677 Ų7777%0.77344%0.44SS*.  trans-130.2141.8175.9-580000109.7
514V85.6Confident88.1Confident86 Ų8680.8 Ų80.852%0.52147%0.467SS..  trans-105.9129.3175.8177.40000108.4Q573V514-Q573 HydrophobicContact CG1-CG 3.44Å; V514-Q573 VanDerWaalsContact CG1-CG 3.44Å
515V91.8Very high88Confident86 Ų8680.4 Ų80.452%0.52147%0.468SS..  trans-97.4115.3176.5-1790000108.6Q517 S574V515-Q517 HydrophobicContact CG1-CG 4.38Å; V515-S574 WeakPolarHBondContact O-CB 2.92Å; V515-S574 PolarHBondContact O-N 3.44Å
516N93.6Very high88.1Confident99 Ų9979.8 Ų79.853%0.52947%0.465SS..EExtended strand (participates in β ladder)trans-96.4128.5168.4-66.7-35.8000108.7W572 Q573N516-W572 CarbonylContact C-O 3.5Å; N516-W572 WeakPolarHBondContact CA-O 3.42Å; N516-Q573 WeakPolarHBondContact OD1-CA 3.3Å
517Q95.4Very high88.1Confident75 Ų7575.6 Ų75.635%0.3544%0.44SS..EExtended strand (participates in β ladder)trans-101.1141.5176-71.4-16930.500110V515 E571 W572 S574V515-Q517 HydrophobicContact CG1-CG 4.38Å; Q517-E571 WeakPolarHBondContact O-CA 3.42Å; Q517-W572 HydrophobicContact CB-CD2 4.04Å; Q517-W572 HydrophobicContact CB-CE3 4.34Å; Q517-W572 HydrophobicContact CB-CH2 3.92Å; Q517-W572 HydrophobicContact CB-CZ2 3.59Å; Q517-W572 HydrophobicContact CB-CZ3 4.27Å; Q517-W572 HydrophobicContact CG-CZ2 4.3Å; Q517-W572 PolarHBondContact N-O 3.13Å; Q517-W572 PolarHBondContact O-N 3.37Å; Q517-S574 PolarHBondContact NE2-OG 2.86Å
518V95.1Very high88.2Confident88 Ų8874.6 Ų74.653%0.53344%0.443SS..EExtended strand (participates in β ladder)trans-133.8124.7175.5-177.70000108.2T569 M570 E571V518-T569 HydrophobicContact CG1-CG2 3.48Å; V518-T569 VanDerWaalsContact CG1-CG2 3.48Å; V518-M570 CarbonylContact C-O 3.14Å; V518-M570 VanDerWaalsContact CA-O 3.28Å; V518-M570 WeakPolarHBondContact CA-O 3.29Å; V518-E571 HydrophobicContact CG2-CB 4.26Å; V518-E571 HydrophobicContact CG2-CG 4.04Å
519I94.4Very high88.3Confident49 Ų4973.4 Ų73.425%0.25144%0.435SS..EExtended strand (participates in β ladder)trans-120.2140.1173.2-164.4172.6000109.6I521 T569 M570 W572I519-I521 HydrophobicContact CD1-CG1 4.45Å; I519-I521 HydrophobicContact CG1-CG1 4.28Å; I519-I521 HydrophobicContact CG2-CD1 4.28Å; I519-I521 HydrophobicContact CG2-CG1 4.36Å; I519-T569 CarbonylContact O-C 3.58Å; I519-T569 WeakPolarHBondContact O-CA 3.23Å; I519-M570 HydrophobicContact CG2-CB 3.79Å; I519-M570 HydrophobicContact CG2-CE 4.48Å; I519-M570 HydrophobicContact CG2-CG 4.08Å; I519-M570 HydrophobicContact CG2-SD 3.79Å; I519-M570 PolarHBondContact N-O 2.98Å; I519-M570 PolarHBondContact O-N 3.45Å; I519-W572 HydrophobicContact CB-CH2 4.46Å; I519-W572 HydrophobicContact CB-CZ3 4.39Å; I519-W572 HydrophobicContact CG2-CH2 4.19Å; I519-W572 HydrophobicContact CG2-CZ3 3.84Å
520S93.9Very high88.5Confident66 Ų6664.4 Ų64.446%0.46239%0.393SS..EExtended strand (participates in β ladder)trans-114.4122.2174.7-73.30000109.7Q567 I568 T569S520-Q567 VanDerWaalsContact CB-NE2 3.28Å; S520-Q567 PolarHBondContact OG-NE2 3.27Å; S520-I568 CarbonylContact C-O 3.58Å; S520-I568 WeakPolarHBondContact CA-O 3.48Å; S520-T569 PolarHBondContact OG-OG1 3.43Å
521I92.5Very high88.8Confident9 Ų963.5 Ų63.55%0.04639%0.385CS..EExtended strand (participates in β ladder)trans-118.6125.7-174.9-54.2170.1000108.1I519 F523 I568 M570 Q586 I589 L590I519-I521 HydrophobicContact CD1-CG1 4.45Å; I519-I521 HydrophobicContact CG1-CG1 4.28Å; I519-I521 HydrophobicContact CG2-CD1 4.28Å; I519-I521 HydrophobicContact CG2-CG1 4.36Å; I521-F523 PolarHBondContact O-N 2.65Å; I521-I568 PolarHBondContact N-O 3.06Å; I521-I568 PolarHBondContact O-N 3.19Å; I521-M570 HydrophobicContact CD1-SD 3.6Å; I521-Q586 HydrophobicContact CD1-CB 4.36Å; I521-Q586 HydrophobicContact CD1-CG 3.86Å; I521-I589 HydrophobicContact CB-CG2 4.43Å; I521-I589 HydrophobicContact CD1-CD1 4.37Å; I521-I589 HydrophobicContact CD1-CG2 4.18Å; I521-I589 HydrophobicContact CG2-CG2 4.05Å; I521-L590 HydrophobicContact CG2-CD2 3.95Å
522P90.2Very high89.1Confident109 Ų10962 Ų6271%0.70836%0.362SS*.EExtended strand (participates in β ladder)trans-59.4127.9170.7-22.833.6000110.9
523F90.1Very high89.5Confident1 Ų159.3 Ų59.30%0.00435%0.345CS..  trans-149.6116.3-177.9-176.8-99.3000111.3I521 G525 L529 L530 W563 Q566 Q567 I568 I589 A592 A593I521-F523 PolarHBondContact O-N 2.65Å; F523-G525 WeakPolarHBondContact CD1-O 3.39Å; F523-G525 VanDerWaalsContact CE1-O 3.22Å; F523-G525 WeakPolarHBondContact CE1-O 3.15Å; F523-L529 HydrophobicContact CZ-CD2 4.48Å; F523-L530 HydrophobicContact CE1-CB 4Å; F523-L530 HydrophobicContact CZ-CB 4.08Å; F523-W563 AromaticContact CD1-CD1 3.75Å; F523-W563 AromaticContact CD1-NE1 3.75Å; F523-W563 AromaticContact CE1-CD1 3.93Å; F523-W563 AromaticContact CE1-NE1 3.88Å; F523-Q566 PolarHBondContact N-O 3.08Å; F523-Q566 CarbonylContact O-C 3.01Å; F523-Q566 WeakPolarHBondContact O-CA 3.12Å; F523-Q566 PolarHBondContact O-N 3.07Å; F523-Q567 PolarHBondContact O-N 3.19Å; F523-I568 HydrophobicContact CB-CB 4.41Å; F523-I568 HydrophobicContact CB-CD1 3.53Å; F523-I568 HydrophobicContact CB-CG1 3.74Å; F523-I568 HydrophobicContact CD1-CD1 3.41Å; F523-I568 VanDerWaalsContact CD1-CD1 3.41Å; F523-I568 HydrophobicContact CD1-CG1 3.91Å; F523-I568 HydrophobicContact CD2-CD1 3.68Å; F523-I568 HydrophobicContact CE1-CD1 3.94Å; F523-I568 HydrophobicContact CE2-CD1 4.21Å; F523-I568 HydrophobicContact CG-CD1 3.25Å; F523-I568 HydrophobicContact CG-CG1 3.91Å; F523-I568 HydrophobicContact CZ-CD1 4.32Å; F523-I589 HydrophobicContact CD2-CG2 4.12Å; F523-A592 HydrophobicContact CE2-CB 3.77Å; F523-A592 HydrophobicContact CZ-CB 4.28Å; F523-A593 HydrophobicContact CD2-CB 3.92Å; F523-A593 HydrophobicContact CE2-CB 4.3Å
524T86.5Confident89.8Confident121 Ų12153.3 Ų53.374%0.74231%0.308SS*.  trans-94.9-6.3-176.852.20000113.7
525G84.3Confident89.9Confident14 Ų1450.6 Ų50.614%0.14430%0.295CS..SBendtrans-69.9160.8178.300000113.3F523 W563F523-G525 WeakPolarHBondContact CD1-O 3.39Å; F523-G525 VanDerWaalsContact CE1-O 3.22Å; F523-G525 WeakPolarHBondContact CE1-O 3.15Å; G525-W563 PolarHBondContact O-NE1 3.29Å
526S88.1Confident89.5Confident48 Ų4850.1 Ų50.134%0.33629%0.289SS..  trans-72.2158.6173.967.80000111.6N528 L529 L530S526-N528 PolarHBondContact O-N 2.78Å; S526-L529 WeakPolarHBondContact O-CB 3.27Å; S526-L529 PolarHBondContact O-N 3.26Å; S526-L529 VanDerWaalsContact O-N 3.11Å; S526-L529 PolarHBondContact OG-N 2.95Å; S526-L530 PolarHBondContact O-N 2.87Å; S526-L530 VanDerWaalsContact O-N 3.08Å
527A87.9Confident89.2Confident11 Ų1146.9 Ų46.99%0.09127%0.271CS..Hα-helixtrans-55.3-36.4173.300000112.3L530 K531 V551 Y553 W563A527-L530 WeakPolarHBondContact O-CB 3.48Å; A527-L530 PolarHBondContact O-N 3.17Å; A527-K531 PolarHBondContact O-N 3.48Å; A527-V551 HydrophobicContact CB-CB 4.09Å; A527-V551 HydrophobicContact CB-CG2 3.76Å; A527-Y553 PolarHBondContact O-OH 2.75Å; A527-W563 HydrophobicContact CB-CD2 3.76Å; A527-W563 HydrophobicContact CB-CE3 3.78Å; A527-W563 HydrophobicContact CB-CG 4.18Å; A527-W563 HydrophobicContact CB-CZ3 4.19Å
528N86Confident88.5Confident96 Ų9644 Ų4451%0.51326%0.26SS..Hα-helixtrans-66.9-39.4177.4-69.1-16.6000112.6S526 L530 K531 F532S526-N528 PolarHBondContact O-N 2.78Å; N528-L530 VanDerWaalsContact C-N 3.33Å; N528-K531 PolarHBondContact O-N 2.87Å; N528-F532 PolarHBondContact O-N 3.23Å
529L87.1Confident87.8Confident8 Ų841.7 Ų41.74%0.04225%0.254CS..Hα-helixtrans-62.7-44.3174.4-178.865.8000110.4F523 S526 F532 H533 M597F523-L529 HydrophobicContact CZ-CD2 4.48Å; S526-L529 WeakPolarHBondContact O-CB 3.27Å; S526-L529 PolarHBondContact O-N 3.26Å; S526-L529 VanDerWaalsContact O-N 3.11Å; S526-L529 PolarHBondContact OG-N 2.95Å; L529-F532 PolarHBondContact O-N 2.74Å; L529-H533 PolarHBondContact O-CD2 3.04Å; L529-H533 VanDerWaalsContact O-CD2 3.26Å; L529-H533 PolarHBondContact O-N 3.28Å; L529-H533 VanDerWaalsContact O-N 3.16Å; L529-M597 HydrophobicContact CD1-CG 4.45Å
530L89.5Confident87.1Confident0 Ų043.8 Ų43.80%027%0.273CS..Hα-helixtrans-59-50.5175.2177.462.1000111.2F523 S526 A527 N528 F532 H533 L534 Y553 I561 W563 I568 I589F523-L530 HydrophobicContact CE1-CB 4Å; F523-L530 HydrophobicContact CZ-CB 4.08Å; S526-L530 PolarHBondContact O-N 2.87Å; S526-L530 VanDerWaalsContact O-N 3.08Å; A527-L530 WeakPolarHBondContact O-CB 3.48Å; A527-L530 PolarHBondContact O-N 3.17Å; N528-L530 VanDerWaalsContact C-N 3.33Å; L530-F532 VanDerWaalsContact C-N 3.29Å; L530-F532 PolarHBondContact O-N 3.44Å; L530-H533 PolarHBondContact O-N 3.4Å; L530-L534 HydrophobicContact CD1-CD1 3.84Å; L530-L534 HydrophobicContact CD1-CD2 4.31Å; L530-L534 HydrophobicContact CD1-CG 3.89Å; L530-L534 HydrophobicContact CD2-CD1 4.34Å; L530-L534 HydrophobicContact CG-CD1 3.71Å; L530-L534 HydrophobicContact CG-CG 4.19Å; L530-L534 VanDerWaalsContact O-CG 3.28Å; L530-L534 WeakPolarHBondContact O-CG 3.36Å; L530-L534 PolarHBondContact O-N 2.63Å; L530-Y553 HydrophobicContact CD2-CD2 4Å; L530-Y553 HydrophobicContact CD2-CE2 4.04Å; L530-Y553 HydrophobicContact CG-CD2 4.4Å; L530-Y553 HydrophobicContact CG-CE2 4.35Å; L530-I561 HydrophobicContact CD2-CG2 4.11Å; L530-W563 HydrophobicContact CD2-CB 3.83Å; L530-W563 HydrophobicContact CD2-CG 4.28Å; L530-I568 HydrophobicContact CD1-CD1 3.6Å; L530-I568 HydrophobicContact CD2-CD1 3.58Å; L530-I568 HydrophobicContact CD2-CG1 3.95Å; L530-I568 HydrophobicContact CG-CD1 4.14Å; L530-I589 HydrophobicContact CD1-CG1 3.82Å
531K88.8Confident86.8Confident82 Ų8241.6 Ų41.636%0.35726%0.257SS..Hα-helixtrans-56.9-42.2179.4-172.4174.3-179166.70112.2A527 N528 L534 A535 T543 Y553A527-K531 PolarHBondContact O-N 3.48Å; N528-K531 PolarHBondContact O-N 2.87Å; K531-L534 PolarHBondContact O-N 2.67Å; K531-A535 VanDerWaalsContact O-CB 3.31Å; K531-A535 WeakPolarHBondContact O-CB 3.32Å; K531-A535 PolarHBondContact O-N 3.38Å; K531-T543 PolarHBondContact NZ-OG1 3.14Å; K531-T543 VanDerWaalsContact NZ-OG1 3.12Å; K531-Y553 HydrophobicContact CB-CE1 4.15Å; K531-Y553 HydrophobicContact CB-CE2 4.28Å; K531-Y553 HydrophobicContact CD-CE1 3.84Å; K531-Y553 HydrophobicContact CG-CE1 4.08Å
532F86.4Confident86.7Confident53 Ų5345.5 Ų45.523%0.23228%0.275CS..Hα-helixtrans-59.3-50.3176.6174.2-100.9000111.8N528 L529 L530 L534 A535 L536 L602N528-F532 PolarHBondContact O-N 3.23Å; L529-F532 PolarHBondContact O-N 2.74Å; L530-F532 VanDerWaalsContact C-N 3.29Å; L530-F532 PolarHBondContact O-N 3.44Å; F532-L534 PolarHBondContact O-N 3.33Å; F532-A535 PolarHBondContact O-N 3.33Å; F532-L536 HydrophobicContact CD1-CD1 4.13Å; F532-L536 HydrophobicContact CE1-CD1 3.59Å; F532-L536 HydrophobicContact CE1-CG 4.4Å; F532-L536 HydrophobicContact CZ-CD1 3.91Å; F532-L536 HydrophobicContact CZ-CG 4.38Å; F532-L536 PolarHBondContact O-N 3.19Å; F532-L536 VanDerWaalsContact O-N 3.08Å; F532-L602 HydrophobicContact CB-CD2 3.91Å; F532-L602 HydrophobicContact CD1-CD2 4.29Å; F532-L602 HydrophobicContact CD2-CD2 3.78Å; F532-L602 HydrophobicContact CE2-CD2 4.4Å; F532-L602 HydrophobicContact CG-CD2 3.72Å
533H88.2Confident86.7Confident18 Ų1842.7 Ų42.78%0.08326%0.256CS..Hα-helixtrans-66.7-37179.7-78.5-71.6000113.2L529 L530 L536 L537 V588 A592L529-H533 PolarHBondContact O-CD2 3.04Å; L529-H533 VanDerWaalsContact O-CD2 3.26Å; L529-H533 PolarHBondContact O-N 3.28Å; L529-H533 VanDerWaalsContact O-N 3.16Å; L530-H533 PolarHBondContact O-N 3.4Å; H533-L536 WeakPolarHBondContact O-CB 3.48Å; H533-L536 PolarHBondContact O-N 3.42Å; H533-L537 PolarHBondContact O-N 3.48Å; H533-V588 HydrophobicContact CB-CG1 3.76Å; H533-V588 VanDerWaalsContact O-CG1 3.31Å; H533-V588 WeakPolarHBondContact O-CG1 3.43Å; H533-A592 HydrophobicContact CB-CB 3.99Å; H533-A592 WeakPolarHBondContact CD2-CB 3.46Å
534L90.2Very high86.7Confident0 Ų045.2 Ų45.20%027%0.271CS..Hα-helixtrans-66-38.3174.3-66.2174.5000111.9L530 K531 F532 L536 L537 A538 V541 Y553 V555 I561 V585L530-L534 HydrophobicContact CD1-CD1 3.84Å; L530-L534 HydrophobicContact CD1-CD2 4.31Å; L530-L534 HydrophobicContact CD1-CG 3.89Å; L530-L534 HydrophobicContact CD2-CD1 4.34Å; L530-L534 HydrophobicContact CG-CD1 3.71Å; L530-L534 HydrophobicContact CG-CG 4.19Å; L530-L534 VanDerWaalsContact O-CG 3.28Å; L530-L534 WeakPolarHBondContact O-CG 3.36Å; L530-L534 PolarHBondContact O-N 2.63Å; K531-L534 PolarHBondContact O-N 2.67Å; F532-L534 PolarHBondContact O-N 3.33Å; L534-L536 VanDerWaalsContact C-N 3.32Å; L534-L536 PolarHBondContact O-N 3.42Å; L534-L537 WeakPolarHBondContact O-CB 3.22Å; L534-L537 PolarHBondContact O-N 3.01Å; L534-L537 VanDerWaalsContact O-N 3.11Å; L534-A538 PolarHBondContact O-N 3.45Å; L534-V541 HydrophobicContact CB-CG1 4.44Å; L534-V541 HydrophobicContact CB-CG2 3.66Å; L534-V541 HydrophobicContact CD1-CG1 4.48Å; L534-Y553 HydrophobicContact CD1-CD2 4.09Å; L534-Y553 HydrophobicContact CD1-CG 4.41Å; L534-V555 HydrophobicContact CB-CG2 4.35Å; L534-V555 HydrophobicContact CD1-CG2 4.09Å; L534-V555 HydrophobicContact CD2-CG2 4.28Å; L534-V555 HydrophobicContact CG-CG2 4.47Å; L534-I561 HydrophobicContact CD1-CD1 3.61Å; L534-I561 HydrophobicContact CD2-CD1 3.59Å; L534-I561 HydrophobicContact CG-CD1 4.24Å; L534-V585 HydrophobicContact CD2-CG1 3.97Å
535A87.2Confident86.8Confident29 Ų2941.3 Ų41.324%0.2425%0.249CC..Hα-helixtrans-65.9-34.4176.700000112.1K531 F532 L537 G539 V541K531-A535 VanDerWaalsContact O-CB 3.31Å; K531-A535 WeakPolarHBondContact O-CB 3.32Å; K531-A535 PolarHBondContact O-N 3.38Å; F532-A535 PolarHBondContact O-N 3.33Å; A535-L537 PolarHBondContact O-N 3.24Å; A535-G539 VanDerWaalsContact O-CA 3.23Å; A535-G539 WeakPolarHBondContact O-CA 3.21Å; A535-G539 PolarHBondContact O-N 2.82Å; A535-V541 HydrophobicContact CB-CG2 4.15Å
536L84.6Confident86.9Confident76 Ų7647.4 Ų47.440%0.39827%0.274SS..Hα-helixtrans-60.7-33.5171.6-72.7171.4000112.6F532 H533 L534 H681F532-L536 HydrophobicContact CD1-CD1 4.13Å; F532-L536 HydrophobicContact CE1-CD1 3.59Å; F532-L536 HydrophobicContact CE1-CG 4.4Å; F532-L536 HydrophobicContact CZ-CD1 3.91Å; F532-L536 HydrophobicContact CZ-CG 4.38Å; F532-L536 PolarHBondContact O-N 3.19Å; F532-L536 VanDerWaalsContact O-N 3.08Å; H533-L536 WeakPolarHBondContact O-CB 3.48Å; H533-L536 PolarHBondContact O-N 3.42Å; L534-L536 VanDerWaalsContact C-N 3.32Å; L534-L536 PolarHBondContact O-N 3.42Å; L536-H681 VanDerWaalsContact CD2-NE2 3.25Å; L536-H681 WeakPolarHBondContact CD2-NE2 3.41Å
537L86.3Confident86.7Confident31 Ų3152.1 Ų52.116%0.16229%0.288CS..Hα-helixtrans-78.7-56.2-179.9-179.764000111.8H533 L534 A535 F556 A584 V585 V588 R678H533-L537 PolarHBondContact O-N 3.48Å; L534-L537 WeakPolarHBondContact O-CB 3.22Å; L534-L537 PolarHBondContact O-N 3.01Å; L534-L537 VanDerWaalsContact O-N 3.11Å; A535-L537 PolarHBondContact O-N 3.24Å; L537-F556 HydrophobicContact CD1-CZ 4.48Å; L537-F556 HydrophobicContact CD2-CE2 3.86Å; L537-F556 HydrophobicContact CD2-CZ 4.09Å; L537-F556 HydrophobicContact CG-CE2 4.13Å; L537-F556 HydrophobicContact CG-CZ 3.82Å; L537-A584 HydrophobicContact CD1-CB 4.31Å; L537-A584 HydrophobicContact CD2-CB 4.16Å; L537-V585 HydrophobicContact CD2-CB 4.39Å; L537-V585 HydrophobicContact CD2-CG2 3.74Å; L537-V588 HydrophobicContact CB-CG2 4.12Å; L537-V588 HydrophobicContact CD1-CG2 4.17Å; L537-V588 HydrophobicContact CD2-CB 4.43Å; L537-V588 HydrophobicContact CD2-CG2 3.94Å; L537-V588 HydrophobicContact CG-CG2 4.28Å; L537-R678 PolarHBondContact O-NH2 3.12Å
538A82.1Confident86Confident14 Ų1457.2 Ų57.212%0.11632%0.323CS..Hα-helixtrans-98.7-8.6-167.500000114.7L534 S540 V555 F556L534-A538 PolarHBondContact O-N 3.45Å; A538-S540 WeakPolarHBondContact CB-O 3.43Å; A538-S540 PolarHBondContact O-N 2.97Å; A538-V555 HydrophobicContact CB-CG1 3.38Å; A538-F556 HydrophobicContact CB-CD1 4.01Å; A538-F556 HydrophobicContact CB-CE1 3.63Å; A538-F556 HydrophobicContact CB-CE2 4.37Å; A538-F556 HydrophobicContact CB-CZ 3.86Å
539G79Confident85.9Confident40 Ų4057.5 Ų57.541%0.41233%0.325SS..SBendtrans75.7-56.9-172.500000112.2A535A535-G539 VanDerWaalsContact O-CA 3.23Å; A535-G539 WeakPolarHBondContact O-CA 3.21Å; A535-G539 PolarHBondContact O-N 2.82Å
540S81.2Confident86Confident93 Ų9359 Ų5965%0.6533%0.333SS*.  trans-109.7139.8175.360.80000111.5A538A538-S540 WeakPolarHBondContact CB-O 3.43Å; A538-S540 PolarHBondContact O-N 2.97Å
541V87.6Confident86.1Confident21 Ų2159.2 Ų59.213%0.12733%0.334CS..  trans-133.4110174.7179.80000108L534 A535 Y553 V555L534-V541 HydrophobicContact CB-CG1 4.44Å; L534-V541 HydrophobicContact CB-CG2 3.66Å; L534-V541 HydrophobicContact CD1-CG1 4.48Å; A535-V541 HydrophobicContact CB-CG2 4.15Å; V541-Y553 HydrophobicContact CG1-CD1 3.85Å; V541-Y553 HydrophobicContact CG1-CG 3.94Å; V541-V555 HydrophobicContact CG1-CG2 4.2Å; V541-V555 HydrophobicContact CG2-CG2 4.45Å
542E89.8Confident86.3Confident90 Ų9057.5 Ų57.542%0.42133%0.327SS..EExtended strand (participates in β ladder)trans-71.3131.3176.5-175.7-168.8-173.500108.8V544 Y553 R554E542-V544 HydrophobicContact CG-CG2 4.44Å; E542-Y553 CarbonylContact O-C 3.51Å; E542-Y553 VanDerWaalsContact O-CA 3.24Å; E542-Y553 WeakPolarHBondContact O-CA 3.48Å; E542-R554 HydrophobicContact CB-CB 4.19Å; E542-R554 PolarHBondContact N-O 3.03Å; E542-R554 PolarHBondContact O-N 3.32Å; E542-R554 IonicContact OE1-NH1 3.85Å; E542-R554 WeakPolarHBondContact OE2-CD 3.43Å; E542-R554 IonicContact OE2-CZ 3.7Å; E542-R554 IonicContact OE2-NE 2.76Å; E542-R554 IonicContact OE2-NH1 2.56Å; E542-R554 PolarHBondContact OE2-NH1 3.21Å
543T90.2Very high86.7Confident51 Ų5155.1 Ų55.131%0.31332%0.317SS..EExtended strand (participates in β ladder)trans-95.6102.1171.9-53.70000108.2K531 Q546 V551 Y553K531-T543 PolarHBondContact NZ-OG1 3.14Å; K531-T543 VanDerWaalsContact NZ-OG1 3.12Å; T543-Q546 HydrophobicContact CG2-CB 4.37Å; T543-V551 HydrophobicContact CG2-CG1 4.37Å; T543-Y553 HydrophobicContact CG2-CD1 4.27Å; T543-Y553 HydrophobicContact CG2-CE1 3.99Å
544V89.5Confident86.9Confident53 Ų5357.8 Ų57.832%0.32133%0.326SS..EExtended strand (participates in β ladder)trans-76.1-39.8-174.9-178.60000111.1E542 Q552 R554E542-V544 HydrophobicContact CG-CG2 4.44Å; V544-Q552 HydrophobicContact CB-CB 4.29Å; V544-Q552 HydrophobicContact CB-CG 4.17Å; V544-Q552 PolarHBondContact N-O 2.92Å; V544-R554 HydrophobicContact CG2-CB 3.74Å
545S88.3Confident87Confident39 Ų3957.8 Ų57.827%0.27333%0.326SS..EExtended strand (participates in β ladder)trans-153.3146.4174.568.40000111.8V551 Q552S545-V551 WeakPolarHBondContact O-CA 3.43Å; S545-Q552 PolarHBondContact N-O 3.38Å; S545-Q552 PolarHBondContact O-N 3.11Å; S545-Q552 WeakPolarHBondContact OG-CB 3.5Å
546Q86.8Confident87.1Confident142 Ų14259.2 Ų59.266%0.66433%0.327SS*.EExtended strand (participates in β ladder)trans-135.4110.1177.3-170.7172.2300109.4T543 V551T543-Q546 HydrophobicContact CG2-CB 4.37Å; Q546-V551 HydrophobicContact CB-CG1 4.37Å; Q546-V551 HydrophobicContact CG-CG1 4.22Å; Q546-V551 HydrophobicContact CG-CG2 4.1Å
547K83.4Confident87.2Confident148 Ų14862.3 Ų62.364%0.64334%0.344SS*.EExtended strand (participates in β ladder)trans-119.8162.9170.7-61.2-176.4-179.6179.40108.4D549 N550K547-D549 PolarHBondContact O-N 3.26Å; K547-N550 WeakPolarHBondContact CA-O 3.27Å; K547-N550 PolarHBondContact N-O 3.42Å; K547-N550 PolarHBondContact O-N 3.45Å; K547-N550 VanDerWaalsContact O-O 3.07Å
548S74.7Confident87.4Confident118 Ų11862.4 Ų62.483%0.82535%0.35SS*.THydrogen-bonded Turntrans-55-28.2-177.432.40000114.3
549D83.3Confident87.9Confident102 Ų10261.8 Ų61.855%0.54534%0.344SS..THydrogen-bonded Turntrans-124.7-1.2-165.434.2-44.9000111.8K547 P565K547-D549 PolarHBondContact O-N 3.26Å; D549-P565 WeakPolarHBondContact O-CD 3.44Å
550N88.7Confident88.7Confident39 Ų3961.5 Ų61.521%0.20933%0.333CS..EExtended strand (participates in β ladder)trans-156.8127.5178.1-175.66000111K547 T562 W563K547-N550 WeakPolarHBondContact CA-O 3.27Å; K547-N550 PolarHBondContact N-O 3.42Å; K547-N550 PolarHBondContact O-N 3.45Å; K547-N550 VanDerWaalsContact O-O 3.07Å; N550-T562 WeakPolarHBondContact OD1-CG2 3.37Å; N550-W563 WeakPolarHBondContact CA-O 3.26Å; N550-W563 PolarHBondContact OD1-O 3.37Å; N550-W563 VanDerWaalsContact OD1-O 3.08Å
551V91.3Very high89.3Confident5 Ų557 Ų573%0.0330%0.302CS..EExtended strand (participates in β ladder)trans-126126.8174.4-169.60000109.6A527 T543 S545 Q546 Y553 W563A527-V551 HydrophobicContact CB-CB 4.09Å; A527-V551 HydrophobicContact CB-CG2 3.76Å; T543-V551 HydrophobicContact CG2-CG1 4.37Å; S545-V551 WeakPolarHBondContact O-CA 3.43Å; Q546-V551 HydrophobicContact CB-CG1 4.37Å; Q546-V551 HydrophobicContact CG-CG1 4.22Å; Q546-V551 HydrophobicContact CG-CG2 4.1Å; V551-Y553 HydrophobicContact CB-CE2 4.45Å; V551-Y553 HydrophobicContact CG1-CD1 4.49Å; V551-Y553 HydrophobicContact CG1-CE1 3.73Å; V551-Y553 HydrophobicContact CG1-CE2 3.95Å; V551-Y553 VanDerWaalsContact CG1-CZ 3.42Å; V551-Y553 WeakPolarHBondContact CG1-OH 3.21Å; V551-W563 HydrophobicContact CB-CE3 4.32Å; V551-W563 HydrophobicContact CG2-CE3 3.98Å; V551-W563 HydrophobicContact CG2-CZ3 4.37Å; V551-W563 PolarHBondContact N-O 3.13Å; V551-W563 PolarHBondContact O-N 3.14Å
552Q94.3Very high89.7Confident45 Ų4556.9 Ų56.921%0.2130%0.301CS..EExtended strand (participates in β ladder)trans-109.1126.4-179.8-167.2179.116.100110.7V544 S545 I561V544-Q552 HydrophobicContact CB-CB 4.29Å; V544-Q552 HydrophobicContact CB-CG 4.17Å; V544-Q552 PolarHBondContact N-O 2.92Å; S545-Q552 PolarHBondContact N-O 3.38Å; S545-Q552 PolarHBondContact O-N 3.11Å; S545-Q552 WeakPolarHBondContact OG-CB 3.5Å; Q552-I561 CarbonylContact C-O 3.56Å; Q552-I561 WeakPolarHBondContact CA-O 3.42Å
553Y93.9Very high89.9Confident3 Ų354.3 Ų54.31%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-112.2151.5174.4-59.4-60.2000110.6A527 L530 K531 L534 V541 E542 T543 V551 I561A527-Y553 PolarHBondContact O-OH 2.75Å; L530-Y553 HydrophobicContact CD2-CD2 4Å; L530-Y553 HydrophobicContact CD2-CE2 4.04Å; L530-Y553 HydrophobicContact CG-CD2 4.4Å; L530-Y553 HydrophobicContact CG-CE2 4.35Å; K531-Y553 HydrophobicContact CB-CE1 4.15Å; K531-Y553 HydrophobicContact CB-CE2 4.28Å; K531-Y553 HydrophobicContact CD-CE1 3.84Å; K531-Y553 HydrophobicContact CG-CE1 4.08Å; L534-Y553 HydrophobicContact CD1-CD2 4.09Å; L534-Y553 HydrophobicContact CD1-CG 4.41Å; V541-Y553 HydrophobicContact CG1-CD1 3.85Å; V541-Y553 HydrophobicContact CG1-CG 3.94Å; E542-Y553 CarbonylContact O-C 3.51Å; E542-Y553 VanDerWaalsContact O-CA 3.24Å; E542-Y553 WeakPolarHBondContact O-CA 3.48Å; T543-Y553 HydrophobicContact CG2-CD1 4.27Å; T543-Y553 HydrophobicContact CG2-CE1 3.99Å; V551-Y553 HydrophobicContact CB-CE2 4.45Å; V551-Y553 HydrophobicContact CG1-CD1 4.49Å; V551-Y553 HydrophobicContact CG1-CE1 3.73Å; V551-Y553 HydrophobicContact CG1-CE2 3.95Å; V551-Y553 VanDerWaalsContact CG1-CZ 3.42Å; V551-Y553 WeakPolarHBondContact CG1-OH 3.21Å; Y553-I561 PolarHBondContact N-O 2.98Å; Y553-I561 PolarHBondContact O-N 3.17Å
554R93.2Very high89.9Confident74 Ų7458.1 Ų58.128%0.27930%0.296SS..EExtended strand (participates in β ladder)trans-120.4132.9166.4-178.3176.9-61.4142.3-7.5109.7E542 V544 I559 N560E542-R554 HydrophobicContact CB-CB 4.19Å; E542-R554 PolarHBondContact N-O 3.03Å; E542-R554 PolarHBondContact O-N 3.32Å; E542-R554 IonicContact OE1-NH1 3.85Å; E542-R554 WeakPolarHBondContact OE2-CD 3.43Å; E542-R554 IonicContact OE2-CZ 3.7Å; E542-R554 IonicContact OE2-NE 2.76Å; E542-R554 IonicContact OE2-NH1 2.56Å; E542-R554 PolarHBondContact OE2-NH1 3.21Å; V544-R554 HydrophobicContact CG2-CB 3.74Å; R554-I559 WeakPolarHBondContact CA-O 3.33Å; R554-N560 PolarHBondContact NE-OD1 2.86Å; R554-N560 PolarHBondContact NH2-OD1 3Å
555V90.8Very high89.7Confident0 Ų059.7 Ų59.70%031%0.308CS..EExtended strand (participates in β ladder)trans-127136.6-175.6-170.10000108.7L534 A538 V541 D557 A558 I559 I561 V585L534-V555 HydrophobicContact CB-CG2 4.35Å; L534-V555 HydrophobicContact CD1-CG2 4.09Å; L534-V555 HydrophobicContact CD2-CG2 4.28Å; L534-V555 HydrophobicContact CG-CG2 4.47Å; A538-V555 HydrophobicContact CB-CG1 3.38Å; V541-V555 HydrophobicContact CG1-CG2 4.2Å; V541-V555 HydrophobicContact CG2-CG2 4.45Å; V555-D557 PolarHBondContact O-N 2.77Å; V555-D557 VanDerWaalsContact O-N 3.12Å; V555-A558 PolarHBondContact O-N 2.94Å; V555-I559 PolarHBondContact N-O 3.43Å; V555-I559 PolarHBondContact O-N 3.24Å; V555-I561 HydrophobicContact CB-CD1 4.28Å; V555-I561 HydrophobicContact CG2-CD1 3.48Å; V555-I561 VanDerWaalsContact CG2-CD1 3.48Å; V555-I561 HydrophobicContact CG2-CG1 4.42Å; V555-V585 HydrophobicContact CB-CG2 4.45Å; V555-V585 HydrophobicContact CG1-CG2 4.12Å
556F89.8Confident89.7Confident60 Ų6065.2 Ų65.226%0.26333%0.329SS..THydrogen-bonded Turntrans54.424.8-176.3-54.7-62.7000114.6L537 A538 A558 Y581 V585L537-F556 HydrophobicContact CD1-CZ 4.48Å; L537-F556 HydrophobicContact CD2-CE2 3.86Å; L537-F556 HydrophobicContact CD2-CZ 4.09Å; L537-F556 HydrophobicContact CG-CE2 4.13Å; L537-F556 HydrophobicContact CG-CZ 3.82Å; A538-F556 HydrophobicContact CB-CD1 4.01Å; A538-F556 HydrophobicContact CB-CE1 3.63Å; A538-F556 HydrophobicContact CB-CE2 4.37Å; A538-F556 HydrophobicContact CB-CZ 3.86Å; F556-A558 WeakPolarHBondContact O-CB 3.46Å; F556-A558 PolarHBondContact O-N 2.57Å; F556-Y581 HydrophobicContact CB-CD2 3.7Å; F556-Y581 HydrophobicContact CB-CE2 4Å; F556-Y581 HydrophobicContact CB-CG 4.16Å; F556-Y581 HydrophobicContact CD2-CD1 4.2Å; F556-Y581 HydrophobicContact CD2-CD2 4.26Å; F556-Y581 AromaticContact CD2-CG 3.83Å; F556-Y581 HydrophobicContact CD2-CG 3.83Å; F556-Y581 HydrophobicContact CE2-CD1 4.39Å; F556-Y581 HydrophobicContact CE2-CG 4.39Å; F556-Y581 HydrophobicContact CG-CD1 4.39Å; F556-Y581 HydrophobicContact CG-CD2 4.11Å; F556-Y581 HydrophobicContact CG-CE2 4.47Å; F556-Y581 HydrophobicContact CG-CG 4.07Å; F556-V585 HydrophobicContact CD2-CG2 4.3Å; F556-V585 HydrophobicContact CE2-CG2 4.07Å
557D87.8Confident90Very high140 Ų14062.1 Ų62.175%0.74932%0.315SS*.THydrogen-bonded Turntrans52.813.7-173.4-59.5-33.5000115.5V555V555-D557 PolarHBondContact O-N 2.77Å; V555-D557 VanDerWaalsContact O-N 3.12Å
558A89.8Confident90.5Very high34 Ų3455.1 Ų55.128%0.28128%0.284SS..THydrogen-bonded Turntrans-129.7-31.6-170.100000113.3V555 F556 Y581V555-A558 PolarHBondContact O-N 2.94Å; F556-A558 WeakPolarHBondContact O-CB 3.46Å; F556-A558 PolarHBondContact O-N 2.57Å; A558-Y581 HydrophobicContact CB-CD2 4.43Å
559I93.3Very high91.4Very high0 Ų050.8 Ų50.80%025%0.253CS..EExtended strand (participates in β ladder)trans-109.7116.5-174.2-44.3-56.7000109.6R554 V555 I561 M570 W572 S578 A582R554-I559 WeakPolarHBondContact CA-O 3.33Å; V555-I559 PolarHBondContact N-O 3.43Å; V555-I559 PolarHBondContact O-N 3.24Å; I559-I561 HydrophobicContact CG2-CG1 4.05Å; I559-M570 HydrophobicContact CG2-CB 4.33Å; I559-M570 HydrophobicContact CG2-CE 4.09Å; I559-W572 HydrophobicContact CD1-CB 3.38Å; I559-W572 HydrophobicContact CD1-CD2 4.34Å; I559-W572 HydrophobicContact CD1-CG 3.69Å; I559-S578 WeakPolarHBondContact CD1-O 3.31Å; I559-A582 HydrophobicContact CD1-CB 4.02Å
560N94.5Very high92Very high34 Ų3445.9 Ų45.918%0.18223%0.227CC..EExtended strand (participates in β ladder)trans-90.9126.3172.7-62.8-50.8000109.3R554 M570 E571R554-N560 PolarHBondContact NE-OD1 2.86Å; R554-N560 PolarHBondContact NH2-OD1 3Å; N560-M570 CarbonylContact O-C 3.22Å; N560-M570 WeakPolarHBondContact O-CA 3.3Å; N560-E571 PolarHBondContact N-O 2.9Å; N560-E571 PolarHBondContact O-N 3.25Å
561I94.5Very high92.4Very high0 Ų048 Ų480%024%0.235CC..EExtended strand (participates in β ladder)trans-121.3115.5-175.7-52.4173.3000108.4L530 L534 Q552 Y553 V555 I559 I568 T569 M570 V585 I589L530-I561 HydrophobicContact CD2-CG2 4.11Å; L534-I561 HydrophobicContact CD1-CD1 3.61Å; L534-I561 HydrophobicContact CD2-CD1 3.59Å; L534-I561 HydrophobicContact CG-CD1 4.24Å; Q552-I561 CarbonylContact C-O 3.56Å; Q552-I561 WeakPolarHBondContact CA-O 3.42Å; Y553-I561 PolarHBondContact N-O 2.98Å; Y553-I561 PolarHBondContact O-N 3.17Å; V555-I561 HydrophobicContact CB-CD1 4.28Å; V555-I561 HydrophobicContact CG2-CD1 3.48Å; V555-I561 VanDerWaalsContact CG2-CD1 3.48Å; V555-I561 HydrophobicContact CG2-CG1 4.42Å; I559-I561 HydrophobicContact CG2-CG1 4.05Å; I561-I568 HydrophobicContact CG2-CG2 3.38Å; I561-T569 CarbonylContact C-O 3.35Å; I561-T569 WeakPolarHBondContact CA-O 3.15Å; I561-M570 HydrophobicContact CG1-CG 4.35Å; I561-M570 HydrophobicContact CG2-CG 4.43Å; I561-V585 HydrophobicContact CD1-CG1 3.39Å; I561-V585 HydrophobicContact CG1-CG1 4.21Å; I561-I589 HydrophobicContact CG2-CD1 4.4Å
562T95Very high92.5Very high17 Ų1748.4 Ų48.410%0.10424%0.237CC..EExtended strand (participates in β ladder)trans-106.1108.5-178.5-550000109.1N550 I568 T569N550-T562 WeakPolarHBondContact OD1-CG2 3.37Å; T562-I568 CarbonylContact O-C 3.58Å; T562-I568 WeakPolarHBondContact O-CA 3.47Å; T562-T569 PolarHBondContact N-O 3.2Å; T562-T569 PolarHBondContact O-N 3.36Å
563W94.5Very high92.5Very high36 Ų3651.4 Ų51.414%0.13625%0.25CS..EExtended strand (participates in β ladder)trans-85.8132173.1176.590.5000110.6F523 G525 A527 L530 N550 V551 P565 I568F523-W563 AromaticContact CD1-CD1 3.75Å; F523-W563 AromaticContact CD1-NE1 3.75Å; F523-W563 AromaticContact CE1-CD1 3.93Å; F523-W563 AromaticContact CE1-NE1 3.88Å; G525-W563 PolarHBondContact O-NE1 3.29Å; A527-W563 HydrophobicContact CB-CD2 3.76Å; A527-W563 HydrophobicContact CB-CE3 3.78Å; A527-W563 HydrophobicContact CB-CG 4.18Å; A527-W563 HydrophobicContact CB-CZ3 4.19Å; L530-W563 HydrophobicContact CD2-CB 3.83Å; L530-W563 HydrophobicContact CD2-CG 4.28Å; N550-W563 WeakPolarHBondContact CA-O 3.26Å; N550-W563 PolarHBondContact OD1-O 3.37Å; N550-W563 VanDerWaalsContact OD1-O 3.08Å; V551-W563 HydrophobicContact CB-CE3 4.32Å; V551-W563 HydrophobicContact CG2-CE3 3.98Å; V551-W563 HydrophobicContact CG2-CZ3 4.37Å; V551-W563 PolarHBondContact N-O 3.13Å; V551-W563 PolarHBondContact O-N 3.14Å; W563-P565 HydrophobicContact CH2-CG 4.49Å; W563-I568 HydrophobicContact CB-CG1 4.49Å
564R91.4Very high92.4Very high131 Ų13152.8 Ų52.849%0.49426%0.261SS..EExtended strand (participates in β ladder)trans-131.4161.7168.9-64.4-177.1-174.3-176.43.1108.4Q566 Q567R564-Q566 PolarHBondContact O-N 3.37Å; R564-Q566 VanDerWaalsContact O-N 3.1Å; R564-Q567 CarbonylContact C-O 3.59Å; R564-Q567 PolarHBondContact N-O 3.37Å; R564-Q567 PolarHBondContact O-N 3.07Å; R564-Q567 VanDerWaalsContact O-N 3.08Å
565P85.4Confident92.2Very high87 Ų8752.3 Ų52.357%0.56526%0.264SS*.THydrogen-bonded Turntrans-50.7123.6171.9-2735000111D549 W563 Q567D549-P565 WeakPolarHBondContact O-CD 3.44Å; W563-P565 HydrophobicContact CH2-CG 4.49Å; P565-Q567 VanDerWaalsContact C-N 3.29Å; P565-Q567 PolarHBondContact O-N 2.92Å
566Q87.4Confident92.1Very high154 Ų15458 Ų5872%0.7230%0.3SS*.THydrogen-bonded Turntrans710.4179.9-52.5-174.7-8.700117.4F523 R564F523-Q566 PolarHBondContact N-O 3.08Å; F523-Q566 CarbonylContact O-C 3.01Å; F523-Q566 WeakPolarHBondContact O-CA 3.12Å; F523-Q566 PolarHBondContact O-N 3.07Å; R564-Q566 PolarHBondContact O-N 3.37Å; R564-Q566 VanDerWaalsContact O-N 3.1Å
567Q92.7Very high92Very high78 Ų7858.5 Ų58.536%0.36431%0.308SS..EExtended strand (participates in β ladder)trans-150.7143.6-175.9-176.4179.2-16.800112.9S520 F523 R564 P565S520-Q567 VanDerWaalsContact CB-NE2 3.28Å; S520-Q567 PolarHBondContact OG-NE2 3.27Å; F523-Q567 PolarHBondContact O-N 3.19Å; R564-Q567 CarbonylContact C-O 3.59Å; R564-Q567 PolarHBondContact N-O 3.37Å; R564-Q567 PolarHBondContact O-N 3.07Å; R564-Q567 VanDerWaalsContact O-N 3.08Å; P565-Q567 VanDerWaalsContact C-N 3.29Å; P565-Q567 PolarHBondContact O-N 2.92Å
568I93.3Very high92.2Very high0 Ų052 Ų520%027%0.274CS..EExtended strand (participates in β ladder)trans-114.9137164.4-68.6164.4000109.1S520 I521 F523 L530 I561 T562 W563 M570 I589S520-I568 CarbonylContact C-O 3.58Å; S520-I568 WeakPolarHBondContact CA-O 3.48Å; I521-I568 PolarHBondContact N-O 3.06Å; I521-I568 PolarHBondContact O-N 3.19Å; F523-I568 HydrophobicContact CB-CB 4.41Å; F523-I568 HydrophobicContact CB-CD1 3.53Å; F523-I568 HydrophobicContact CB-CG1 3.74Å; F523-I568 HydrophobicContact CD1-CD1 3.41Å; F523-I568 VanDerWaalsContact CD1-CD1 3.41Å; F523-I568 HydrophobicContact CD1-CG1 3.91Å; F523-I568 HydrophobicContact CD2-CD1 3.68Å; F523-I568 HydrophobicContact CE1-CD1 3.94Å; F523-I568 HydrophobicContact CE2-CD1 4.21Å; F523-I568 HydrophobicContact CG-CD1 3.25Å; F523-I568 HydrophobicContact CG-CG1 3.91Å; F523-I568 HydrophobicContact CZ-CD1 4.32Å; L530-I568 HydrophobicContact CD1-CD1 3.6Å; L530-I568 HydrophobicContact CD2-CD1 3.58Å; L530-I568 HydrophobicContact CD2-CG1 3.95Å; L530-I568 HydrophobicContact CG-CD1 4.14Å; I561-I568 HydrophobicContact CG2-CG2 3.38Å; T562-I568 CarbonylContact O-C 3.58Å; T562-I568 WeakPolarHBondContact O-CA 3.47Å; W563-I568 HydrophobicContact CB-CG1 4.49Å; I568-M570 HydrophobicContact CG2-CG 4.21Å; I568-I589 HydrophobicContact CD1-CD1 4.46Å; I568-I589 HydrophobicContact CD1-CG1 4.24Å; I568-I589 HydrophobicContact CD1-CG2 3.63Å; I568-I589 HydrophobicContact CG2-CD1 4.01Å
569T95.5Very high92.3Very high27 Ų2752.3 Ų52.317%0.16627%0.271CS..EExtended strand (participates in β ladder)trans-111.8122.6168.3-590000108.9V518 I519 S520 I561 T562V518-T569 HydrophobicContact CG1-CG2 3.48Å; V518-T569 VanDerWaalsContact CG1-CG2 3.48Å; I519-T569 CarbonylContact O-C 3.58Å; I519-T569 WeakPolarHBondContact O-CA 3.23Å; S520-T569 PolarHBondContact OG-OG1 3.43Å; I561-T569 CarbonylContact C-O 3.35Å; I561-T569 WeakPolarHBondContact CA-O 3.15Å; T562-T569 PolarHBondContact N-O 3.2Å; T562-T569 PolarHBondContact O-N 3.36Å
570M95.1Very high92.2Very high0 Ų057.8 Ų57.80%030%0.298CS..EExtended strand (participates in β ladder)trans-102.4137.3170.3-47.6159.647.700108.9V518 I519 I521 I559 N560 I561 I568 W572 A582 V585 Q586 I589V518-M570 CarbonylContact C-O 3.14Å; V518-M570 VanDerWaalsContact CA-O 3.28Å; V518-M570 WeakPolarHBondContact CA-O 3.29Å; I519-M570 HydrophobicContact CG2-CB 3.79Å; I519-M570 HydrophobicContact CG2-CE 4.48Å; I519-M570 HydrophobicContact CG2-CG 4.08Å; I519-M570 HydrophobicContact CG2-SD 3.79Å; I519-M570 PolarHBondContact N-O 2.98Å; I519-M570 PolarHBondContact O-N 3.45Å; I521-M570 HydrophobicContact CD1-SD 3.6Å; I559-M570 HydrophobicContact CG2-CB 4.33Å; I559-M570 HydrophobicContact CG2-CE 4.09Å; N560-M570 CarbonylContact O-C 3.22Å; N560-M570 WeakPolarHBondContact O-CA 3.3Å; I561-M570 HydrophobicContact CG1-CG 4.35Å; I561-M570 HydrophobicContact CG2-CG 4.43Å; I568-M570 HydrophobicContact CG2-CG 4.21Å; M570-W572 HydrophobicContact CB-CE3 4.31Å; M570-W572 HydrophobicContact CB-CZ3 4.11Å; M570-W572 HydrophobicContact CE-CZ3 4.41Å; M570-A582 HydrophobicContact CE-CB 4.23Å; M570-A582 WeakPolarHBondContact CE-O 3.27Å; M570-V585 HydrophobicContact CE-CB 3.82Å; M570-V585 HydrophobicContact CE-CG1 3.49Å; M570-V585 VanDerWaalsContact CE-CG1 3.49Å; M570-V585 HydrophobicContact SD-CG1 4.05Å; M570-Q586 HydrophobicContact CE-CB 4.24Å; M570-Q586 HydrophobicContact SD-CB 4.18Å; M570-I589 HydrophobicContact CG-CD1 3.87Å; M570-I589 HydrophobicContact SD-CD1 3.47Å; M570-I589 WeakPolarHBondContact SD-CD1 3.38Å
571E96Very high92.1Very high83 Ų8359.6 Ų59.639%0.38830%0.303SS..EExtended strand (participates in β ladder)trans-133.9130.2179.5176.3176.2-156.400109.4Q517 V518 N560Q517-E571 WeakPolarHBondContact O-CA 3.42Å; V518-E571 HydrophobicContact CG2-CB 4.26Å; V518-E571 HydrophobicContact CG2-CG 4.04Å; N560-E571 PolarHBondContact N-O 2.9Å; N560-E571 PolarHBondContact O-N 3.25Å
572W95.2Very high92Very high14 Ų1459.6 Ų59.65%0.05330%0.303CS..EExtended strand (participates in β ladder)trans-152.7157.617669.8101.9000111.6N516 Q517 I519 I559 M570 D579 A582N516-W572 CarbonylContact C-O 3.5Å; N516-W572 WeakPolarHBondContact CA-O 3.42Å; Q517-W572 HydrophobicContact CB-CD2 4.04Å; Q517-W572 HydrophobicContact CB-CE3 4.34Å; Q517-W572 HydrophobicContact CB-CH2 3.92Å; Q517-W572 HydrophobicContact CB-CZ2 3.59Å; Q517-W572 HydrophobicContact CB-CZ3 4.27Å; Q517-W572 HydrophobicContact CG-CZ2 4.3Å; Q517-W572 PolarHBondContact N-O 3.13Å; Q517-W572 PolarHBondContact O-N 3.37Å; I519-W572 HydrophobicContact CB-CH2 4.46Å; I519-W572 HydrophobicContact CB-CZ3 4.39Å; I519-W572 HydrophobicContact CG2-CH2 4.19Å; I519-W572 HydrophobicContact CG2-CZ3 3.84Å; I559-W572 HydrophobicContact CD1-CB 3.38Å; I559-W572 HydrophobicContact CD1-CD2 4.34Å; I559-W572 HydrophobicContact CD1-CG 3.69Å; M570-W572 HydrophobicContact CB-CE3 4.31Å; M570-W572 HydrophobicContact CB-CZ3 4.11Å; M570-W572 HydrophobicContact CE-CZ3 4.41Å; W572-D579 PolarHBondContact NE1-OD1 3.01Å; W572-A582 HydrophobicContact CD2-CB 3.67Å; W572-A582 VanDerWaalsContact CE2-CB 3.41Å; W572-A582 HydrophobicContact CE3-CB 3.99Å; W572-A582 HydrophobicContact CG-CB 4.27Å; W572-A582 HydrophobicContact CH2-CB 3.88Å; W572-A582 HydrophobicContact CZ2-CB 3.51Å; W572-A582 HydrophobicContact CZ3-CB 4.1Å
573Q94.4Very high91.9Very high107 Ų10763.2 Ų63.250%0.532%0.322SS..EExtended strand (participates in β ladder)trans-81.6119.7169-178.7177.8-27.400109.1V514 N516 N575 S578V514-Q573 HydrophobicContact CG1-CG 3.44Å; V514-Q573 VanDerWaalsContact CG1-CG 3.44Å; N516-Q573 WeakPolarHBondContact OD1-CA 3.3Å; Q573-N575 PolarHBondContact O-N 3.09Å; Q573-N575 PolarHBondContact O-ND2 3Å; Q573-S578 WeakPolarHBondContact O-CB 3.33Å; Q573-S578 PolarHBondContact O-OG 3.12Å
574S91.3Very high91.8Very high33 Ų3363.1 Ų63.123%0.23133%0.329CS..  trans-70.5127.8-173.8175.20000112.2V515 Q517 D579V515-S574 WeakPolarHBondContact O-CB 2.92Å; V515-S574 PolarHBondContact O-N 3.44Å; Q517-S574 PolarHBondContact NE2-OG 2.86Å; S574-D579 VanDerWaalsContact CA-OD1 3.31Å; S574-D579 WeakPolarHBondContact CA-OD1 3.3Å; S574-D579 WeakPolarHBondContact CB-OD1 3.41Å; S574-D579 PolarHBondContact OG-OD1 2.8Å; S574-D579 PolarHBondContact OG-OD2 2.82Å
575N88.8Confident91.9Very high64 Ų6456.9 Ų56.934%0.34231%0.305SS..SBendtrans-162.3163.2169.863.872.4000108.1Q573 T577 S578 D579Q573-N575 PolarHBondContact O-N 3.09Å; Q573-N575 PolarHBondContact O-ND2 3Å; N575-T577 PolarHBondContact O-N 3.34Å; N575-T577 WeakPolarHBondContact OD1-CB 3.39Å; N575-T577 PolarHBondContact OD1-N 3.49Å; N575-T577 VanDerWaalsContact OD1-N 3.11Å; N575-S578 PolarHBondContact N-OG 2.93Å; N575-S578 PolarHBondContact ND2-OG 3.5Å; N575-S578 PolarHBondContact O-N 3.08Å; N575-S578 PolarHBondContact O-OG 3Å; N575-S578 PolarHBondContact OD1-N 3.25Å; N575-S578 PolarHBondContact OD1-OG 2.94Å; N575-D579 WeakPolarHBondContact O-CB 3.36Å; N575-D579 PolarHBondContact O-N 2.81Å
576P87.6Confident92.2Very high118 Ų11855.3 Ų55.377%0.76629%0.29SS*.Hα-helixtrans-53.4-31.4-174.4-29.636.3000115.1
577T88.4Confident92.4Very high71 Ų7152.9 Ų52.944%0.43628%0.282SS..Hα-helixtrans-81.5-48.4-179.6-53.70000111.9N575 M580 Y581N575-T577 PolarHBondContact O-N 3.34Å; N575-T577 WeakPolarHBondContact OD1-CB 3.39Å; N575-T577 PolarHBondContact OD1-N 3.49Å; N575-T577 VanDerWaalsContact OD1-N 3.11Å; T577-M580 PolarHBondContact O-N 2.75Å; T577-Y581 HydrophobicContact CG2-CD2 4.25Å; T577-Y581 HydrophobicContact CG2-CE1 4.32Å; T577-Y581 HydrophobicContact CG2-CE2 3.56Å; T577-Y581 PolarHBondContact O-N 3.24Å; T577-Y581 VanDerWaalsContact O-N 3.1Å
578S91.5Very high92.3Very high4 Ų450.4 Ų50.43%0.02827%0.272CS..Hα-helixtrans-69.4-32.5179.458.80000112.5I559 Q573 N575 Y581 A582I559-S578 WeakPolarHBondContact CD1-O 3.31Å; Q573-S578 WeakPolarHBondContact O-CB 3.33Å; Q573-S578 PolarHBondContact O-OG 3.12Å; N575-S578 PolarHBondContact N-OG 2.93Å; N575-S578 PolarHBondContact ND2-OG 3.5Å; N575-S578 PolarHBondContact O-N 3.08Å; N575-S578 PolarHBondContact O-OG 3Å; N575-S578 PolarHBondContact OD1-N 3.25Å; N575-S578 PolarHBondContact OD1-OG 2.94Å; S578-Y581 PolarHBondContact O-N 3.08Å; S578-A582 WeakPolarHBondContact O-CB 3.3Å; S578-A582 PolarHBondContact O-N 2.88Å
579D91.9Very high92.1Very high41 Ų4150.4 Ų50.422%0.21927%0.272CS..Hα-helixtrans-65.1-42.5175.6-67-16.6000110.4W572 S574 N575 Y581 A582 D583W572-D579 PolarHBondContact NE1-OD1 3.01Å; S574-D579 VanDerWaalsContact CA-OD1 3.31Å; S574-D579 WeakPolarHBondContact CA-OD1 3.3Å; S574-D579 WeakPolarHBondContact CB-OD1 3.41Å; S574-D579 PolarHBondContact OG-OD1 2.8Å; S574-D579 PolarHBondContact OG-OD2 2.82Å; N575-D579 WeakPolarHBondContact O-CB 3.36Å; N575-D579 PolarHBondContact O-N 2.81Å; D579-Y581 VanDerWaalsContact C-N 3.34Å; D579-Y581 PolarHBondContact O-N 2.91Å; D579-A582 WeakPolarHBondContact O-CB 3.49Å; D579-A582 PolarHBondContact O-N 3.15Å; D579-D583 PolarHBondContact O-N 3.39Å
580M91.4Very high91.8Very high115 Ų11552.6 Ų52.657%0.56728%0.282SS*.Hα-helixtrans-61.9-40.5173.6-175.4-175.265.700112.1T577 A584T577-M580 PolarHBondContact O-N 2.75Å; M580-A584 PolarHBondContact O-N 3.4Å; M580-A584 VanDerWaalsContact O-N 3.14Å
581Y93.2Very high91.4Very high71 Ų7159.8 Ų59.828%0.27831%0.31SS..Hα-helixtrans-65.6-41.3174.3-65.5-21.1000112.2F556 A558 T577 S578 D579 A584 V585F556-Y581 HydrophobicContact CB-CD2 3.7Å; F556-Y581 HydrophobicContact CB-CE2 4Å; F556-Y581 HydrophobicContact CB-CG 4.16Å; F556-Y581 HydrophobicContact CD2-CD1 4.2Å; F556-Y581 HydrophobicContact CD2-CD2 4.26Å; F556-Y581 AromaticContact CD2-CG 3.83Å; F556-Y581 HydrophobicContact CD2-CG 3.83Å; F556-Y581 HydrophobicContact CE2-CD1 4.39Å; F556-Y581 HydrophobicContact CE2-CG 4.39Å; F556-Y581 HydrophobicContact CG-CD1 4.39Å; F556-Y581 HydrophobicContact CG-CD2 4.11Å; F556-Y581 HydrophobicContact CG-CE2 4.47Å; F556-Y581 HydrophobicContact CG-CG 4.07Å; A558-Y581 HydrophobicContact CB-CD2 4.43Å; T577-Y581 HydrophobicContact CG2-CD2 4.25Å; T577-Y581 HydrophobicContact CG2-CE1 4.32Å; T577-Y581 HydrophobicContact CG2-CE2 3.56Å; T577-Y581 PolarHBondContact O-N 3.24Å; T577-Y581 VanDerWaalsContact O-N 3.1Å; S578-Y581 PolarHBondContact O-N 3.08Å; D579-Y581 VanDerWaalsContact C-N 3.34Å; D579-Y581 PolarHBondContact O-N 2.91Å; Y581-A584 PolarHBondContact O-N 3.12Å; Y581-V585 WeakPolarHBondContact O-CB 3.23Å; Y581-V585 VanDerWaalsContact O-CG2 3.25Å; Y581-V585 WeakPolarHBondContact O-CG2 3.41Å; Y581-V585 PolarHBondContact O-N 3.2Å
582A92.9Very high90.9Very high0 Ų055.9 Ų55.90%029%0.291CS..Hα-helixtrans-61.7-44.9176.500000111.1I559 M570 W572 S578 D579 A584 V585 Q586I559-A582 HydrophobicContact CD1-CB 4.02Å; M570-A582 HydrophobicContact CE-CB 4.23Å; M570-A582 WeakPolarHBondContact CE-O 3.27Å; W572-A582 HydrophobicContact CD2-CB 3.67Å; W572-A582 VanDerWaalsContact CE2-CB 3.41Å; W572-A582 HydrophobicContact CE3-CB 3.99Å; W572-A582 HydrophobicContact CG-CB 4.27Å; W572-A582 HydrophobicContact CH2-CB 3.88Å; W572-A582 HydrophobicContact CZ2-CB 3.51Å; W572-A582 HydrophobicContact CZ3-CB 4.1Å; S578-A582 WeakPolarHBondContact O-CB 3.3Å; S578-A582 PolarHBondContact O-N 2.88Å; D579-A582 WeakPolarHBondContact O-CB 3.49Å; D579-A582 PolarHBondContact O-N 3.15Å; A582-A584 VanDerWaalsContact C-N 3.33Å; A582-A584 PolarHBondContact O-N 3.31Å; A582-V585 PolarHBondContact O-N 3.1Å; A582-Q586 VanDerWaalsContact O-CB 3.32Å; A582-Q586 WeakPolarHBondContact O-CB 3.23Å; A582-Q586 PolarHBondContact O-N 2.8Å
583D92.8Very high90.3Very high94 Ų9457 Ų5750%0.50330%0.304SS..Hα-helixtrans-59.4-43.2175.9-75.9-17.1000111.9D579 Q586 N587D579-D583 PolarHBondContact O-N 3.39Å; D583-Q586 PolarHBondContact O-N 2.98Å; D583-N587 WeakPolarHBondContact O-CB 3.33Å; D583-N587 PolarHBondContact O-N 2.98Å; D583-N587 PolarHBondContact O-ND2 3.39Å
584A92.1Very high89.6Confident34 Ų3459.9 Ų59.928%0.28132%0.32SS..Hα-helixtrans-63.9-45.5176.700000111.8L537 M580 Y581 A582 N587 V588L537-A584 HydrophobicContact CD1-CB 4.31Å; L537-A584 HydrophobicContact CD2-CB 4.16Å; M580-A584 PolarHBondContact O-N 3.4Å; M580-A584 VanDerWaalsContact O-N 3.14Å; Y581-A584 PolarHBondContact O-N 3.12Å; A582-A584 VanDerWaalsContact C-N 3.33Å; A582-A584 PolarHBondContact O-N 3.31Å; A584-N587 PolarHBondContact O-N 3.01Å; A584-V588 WeakPolarHBondContact O-CG2 3.44Å; A584-V588 PolarHBondContact O-N 2.91Å; A584-V588 VanDerWaalsContact O-N 3.12Å
585V92.6Very high88.5Confident0 Ų063.6 Ų63.60%033%0.333CS..Hα-helixtrans-62.4-44.5176.91680000111.1L534 L537 V555 F556 I561 M570 Y581 A582 N587 V588 I589L534-V585 HydrophobicContact CD2-CG1 3.97Å; L537-V585 HydrophobicContact CD2-CB 4.39Å; L537-V585 HydrophobicContact CD2-CG2 3.74Å; V555-V585 HydrophobicContact CB-CG2 4.45Å; V555-V585 HydrophobicContact CG1-CG2 4.12Å; F556-V585 HydrophobicContact CD2-CG2 4.3Å; F556-V585 HydrophobicContact CE2-CG2 4.07Å; I561-V585 HydrophobicContact CD1-CG1 3.39Å; I561-V585 HydrophobicContact CG1-CG1 4.21Å; M570-V585 HydrophobicContact CE-CB 3.82Å; M570-V585 HydrophobicContact CE-CG1 3.49Å; M570-V585 VanDerWaalsContact CE-CG1 3.49Å; M570-V585 HydrophobicContact SD-CG1 4.05Å; Y581-V585 WeakPolarHBondContact O-CB 3.23Å; Y581-V585 VanDerWaalsContact O-CG2 3.25Å; Y581-V585 WeakPolarHBondContact O-CG2 3.41Å; Y581-V585 PolarHBondContact O-N 3.2Å; A582-V585 PolarHBondContact O-N 3.1Å; V585-N587 PolarHBondContact O-N 2.86Å; V585-V588 PolarHBondContact O-N 3.33Å; V585-I589 HydrophobicContact CG1-CD1 3.73Å; V585-I589 HydrophobicContact CG1-CG1 4.44Å; V585-I589 WeakPolarHBondContact O-CG1 3.17Å; V585-I589 PolarHBondContact O-N 2.93Å
586Q92.7Very high87Confident53 Ų5362.2 Ų62.225%0.24833%0.334CS..Hα-helixtrans-59.5-46.9177.8174.4174.4-1.300111.1I521 M570 A582 D583 V588 I589 L590I521-Q586 HydrophobicContact CD1-CB 4.36Å; I521-Q586 HydrophobicContact CD1-CG 3.86Å; M570-Q586 HydrophobicContact CE-CB 4.24Å; M570-Q586 HydrophobicContact SD-CB 4.18Å; A582-Q586 VanDerWaalsContact O-CB 3.32Å; A582-Q586 WeakPolarHBondContact O-CB 3.23Å; A582-Q586 PolarHBondContact O-N 2.8Å; D583-Q586 PolarHBondContact O-N 2.98Å; Q586-V588 VanDerWaalsContact C-N 3.28Å; Q586-V588 PolarHBondContact O-N 3.03Å; Q586-I589 PolarHBondContact O-N 3.11Å; Q586-L590 HydrophobicContact CG-CD1 4.07Å; Q586-L590 HydrophobicContact CG-CG 4.46Å; Q586-L590 WeakPolarHBondContact O-CG 3.49Å; Q586-L590 PolarHBondContact O-N 2.69Å
587N90.6Very high85.3Confident104 Ų10462.6 Ų62.656%0.55633%0.327SS*.Hα-helixtrans-59.3-39.5176.6-79.5-49.8000112.3D583 A584 V585 L590 R591D583-N587 WeakPolarHBondContact O-CB 3.33Å; D583-N587 PolarHBondContact O-N 2.98Å; D583-N587 PolarHBondContact O-ND2 3.39Å; A584-N587 PolarHBondContact O-N 3.01Å; V585-N587 PolarHBondContact O-N 2.86Å; N587-L590 PolarHBondContact O-N 2.85Å; N587-R591 WeakPolarHBondContact O-CB 3.31Å; N587-R591 PolarHBondContact O-N 2.88Å
588V90.2Very high83.7Confident26 Ų2661.8 Ų61.816%0.15832%0.323CS..Hα-helixtrans-67.5-40.4176.5168.90000111.9H533 L537 A584 V585 Q586 R591 A592H533-V588 HydrophobicContact CB-CG1 3.76Å; H533-V588 VanDerWaalsContact O-CG1 3.31Å; H533-V588 WeakPolarHBondContact O-CG1 3.43Å; L537-V588 HydrophobicContact CB-CG2 4.12Å; L537-V588 HydrophobicContact CD1-CG2 4.17Å; L537-V588 HydrophobicContact CD2-CB 4.43Å; L537-V588 HydrophobicContact CD2-CG2 3.94Å; L537-V588 HydrophobicContact CG-CG2 4.28Å; A584-V588 WeakPolarHBondContact O-CG2 3.44Å; A584-V588 PolarHBondContact O-N 2.91Å; A584-V588 VanDerWaalsContact O-N 3.12Å; V585-V588 PolarHBondContact O-N 3.33Å; Q586-V588 VanDerWaalsContact C-N 3.28Å; Q586-V588 PolarHBondContact O-N 3.03Å; V588-R591 PolarHBondContact O-N 3.18Å; V588-A592 WeakPolarHBondContact O-CB 3.29Å; V588-A592 PolarHBondContact O-N 3.46Å
589I90.7Very high81.7Confident0 Ų068.2 Ų68.20%037%0.365CS..Hα-helixtrans-62.6-45.9174.8-70.8163.4000111I521 F523 L530 I561 I568 M570 V585 Q586 R591 A592 A593I521-I589 HydrophobicContact CB-CG2 4.43Å; I521-I589 HydrophobicContact CD1-CD1 4.37Å; I521-I589 HydrophobicContact CD1-CG2 4.18Å; I521-I589 HydrophobicContact CG2-CG2 4.05Å; F523-I589 HydrophobicContact CD2-CG2 4.12Å; L530-I589 HydrophobicContact CD1-CG1 3.82Å; I561-I589 HydrophobicContact CG2-CD1 4.4Å; I568-I589 HydrophobicContact CD1-CD1 4.46Å; I568-I589 HydrophobicContact CD1-CG1 4.24Å; I568-I589 HydrophobicContact CD1-CG2 3.63Å; I568-I589 HydrophobicContact CG2-CD1 4.01Å; M570-I589 HydrophobicContact CG-CD1 3.87Å; M570-I589 HydrophobicContact SD-CD1 3.47Å; M570-I589 WeakPolarHBondContact SD-CD1 3.38Å; V585-I589 HydrophobicContact CG1-CD1 3.73Å; V585-I589 HydrophobicContact CG1-CG1 4.44Å; V585-I589 WeakPolarHBondContact O-CG1 3.17Å; V585-I589 PolarHBondContact O-N 2.93Å; Q586-I589 PolarHBondContact O-N 3.11Å; I589-R591 VanDerWaalsContact C-N 3.33Å; I589-R591 PolarHBondContact O-N 3.3Å; I589-A592 PolarHBondContact O-N 3.21Å; I589-A593 PolarHBondContact O-N 3.42Å
590L89Confident79.7Confident72 Ų7277.9 Ų77.938%0.37740%0.398SS..Hα-helixtrans-61.7-42.3177.3-69.3172.5000111.2I521 Q586 N587 A593 M594I521-L590 HydrophobicContact CG2-CD2 3.95Å; Q586-L590 HydrophobicContact CG-CD1 4.07Å; Q586-L590 HydrophobicContact CG-CG 4.46Å; Q586-L590 WeakPolarHBondContact O-CG 3.49Å; Q586-L590 PolarHBondContact O-N 2.69Å; N587-L590 PolarHBondContact O-N 2.85Å; L590-A593 WeakPolarHBondContact O-CB 3.49Å; L590-A593 PolarHBondContact O-N 2.96Å; L590-M594 WeakPolarHBondContact O-CG 3.28Å; L590-M594 PolarHBondContact O-N 3.5Å; L590-M594 VanDerWaalsContact O-N 3.15Å
591R85.9Confident77.9Confident151 Ų15174.2 Ų74.257%0.5739%0.389SS*.Hα-helixtrans-63.6-43.2175.2-176.7175.7173.3171.30.2112.2N587 V588 I589 A593 M594 Q595N587-R591 WeakPolarHBondContact O-CB 3.31Å; N587-R591 PolarHBondContact O-N 2.88Å; V588-R591 PolarHBondContact O-N 3.18Å; I589-R591 VanDerWaalsContact C-N 3.33Å; I589-R591 PolarHBondContact O-N 3.3Å; R591-A593 VanDerWaalsContact C-N 3.28Å; R591-A593 PolarHBondContact O-N 3.1Å; R591-M594 PolarHBondContact O-N 3.41Å; R591-Q595 HydrophobicContact CG-CG 4.26Å; R591-Q595 WeakPolarHBondContact O-CG 3.4Å; R591-Q595 PolarHBondContact O-N 3.33Å
592A85.9Confident75.9Confident1 Ų174.3 Ų74.31%0.00840%0.395CS..Hα-helixtrans-61.9-35.8176.600000112F523 H533 V588 I589F523-A592 HydrophobicContact CE2-CB 3.77Å; F523-A592 HydrophobicContact CZ-CB 4.28Å; H533-A592 HydrophobicContact CB-CB 3.99Å; H533-A592 WeakPolarHBondContact CD2-CB 3.46Å; V588-A592 WeakPolarHBondContact O-CB 3.29Å; V588-A592 PolarHBondContact O-N 3.46Å; I589-A592 PolarHBondContact O-N 3.21Å
593A83.5Confident73.8Confident39 Ų3977.5 Ų77.532%0.32242%0.415SS..Hα-helixtrans-67.3-3617500000112.6F523 I589 L590 R591F523-A593 HydrophobicContact CD2-CB 3.92Å; F523-A593 HydrophobicContact CE2-CB 4.3Å; I589-A593 PolarHBondContact O-N 3.42Å; L590-A593 WeakPolarHBondContact O-CB 3.49Å; L590-A593 PolarHBondContact O-N 2.96Å; R591-A593 VanDerWaalsContact C-N 3.28Å; R591-A593 PolarHBondContact O-N 3.1Å
594M79.6Confident71.9Confident167 Ų16781.5 Ų81.582%0.82343%0.431SS*.Hα-helixtrans-77.6-36.2-179.5-69.1179.17300113.6L590 R591L590-M594 WeakPolarHBondContact O-CG 3.28Å; L590-M594 PolarHBondContact O-N 3.5Å; L590-M594 VanDerWaalsContact O-N 3.15Å; R591-M594 PolarHBondContact O-N 3.41Å
595Q67.1Low70.1Confident111 Ų11184.2 Ų84.252%0.51944%0.44SS..Hα-helixtrans-84.2-13.9-169.5-69.1-172.5-2800114.1R591R591-Q595 HydrophobicContact CG-CG 4.26Å; R591-Q595 WeakPolarHBondContact O-CG 3.4Å; R591-Q595 PolarHBondContact O-N 3.33Å
596G57.3Low68.5Low35 Ų3589.8 Ų89.836%0.36147%0.468SS..  trans58.8-175.3-177.500000112.8
597M53.2Low67.1Low126 Ų12696 Ų9662%0.62150%0.497SS*.SBendtrans-71.4134.4171.7-111-165-78.300109.6L529L529-M597 HydrophobicContact CD1-CG 4.45Å
598P52.9Low65.9Low53 Ų5392.2 Ų92.234%0.34448%0.478SS..  trans-56.5138.7171.121.3-30.7000110R600 G601P598-R600 PolarHBondContact O-N 3.23Å; P598-G601 PolarHBondContact O-N 2.83Å
599P50.4Low65.2Low139 Ų13994.8 Ų94.890%0.90349%0.491SS*.THydrogen-bonded Turntrans-64.82.8-168.321.2-31.6000116
600R49.3Very low64.5Low245 Ų245101.8 Ų101.893%0.92552%0.522SS*.THydrogen-bonded Turntrans-119.815.4-178.7-72.3-174.1174.6-177.3-1.3114.4P598P598-R600 PolarHBondContact O-N 3.23Å
601G53.8Low64Low37 Ų37104.8 Ų104.838%0.38153%0.534SS..  trans76.1169.7-168.600000111P598P598-G601 PolarHBondContact O-N 2.83Å
602L51.3Low63.8Low74 Ų74103 Ų10339%0.38753%0.532SS..SBendtrans-57.5125.3173-79.4146.2000107.9F532 H604F532-L602 HydrophobicContact CB-CD2 3.91Å; F532-L602 HydrophobicContact CD1-CD2 4.29Å; F532-L602 HydrophobicContact CD2-CD2 3.78Å; F532-L602 HydrophobicContact CE2-CD2 4.4Å; F532-L602 HydrophobicContact CG-CD2 3.72Å; L602-H604 PolarHBondContact O-N 2.95Å
603P50Low63.8Low67 Ų67103.4 Ų103.444%0.43553%0.534SS..  trans-54.7127.1174.620.9-29.7000108.6L605P603-L605 PolarHBondContact O-N 2.85Å; P603-L605 VanDerWaalsContact O-N 3.1Å
604H52.6Low63.9Low178 Ų178103.3 Ų103.382%0.82453%0.525SS*.  trans-64.2112.6167.6-84.8-68.5000106.6L602 I606L602-H604 PolarHBondContact O-N 2.95Å; H604-I606 PolarHBondContact O-N 2.87Å; H604-I606 VanDerWaalsContact O-N 3.12Å
605L53.7Low64.1Low90 Ų9098.9 Ų98.947%0.47151%0.51SS..PPolyproline II helixtrans-59.4116.1171.1-69.8168.3000107.3P603 S684 A685P603-L605 PolarHBondContact O-N 2.85Å; P603-L605 VanDerWaalsContact O-N 3.1Å; L605-S684 WeakPolarHBondContact CA-O 3.48Å; L605-A685 HydrophobicContact CD2-CB 4.07Å
606I59.9Low65Low117 Ų11795 Ų9560%0.650%0.497SS*.PPolyproline II helixtrans-82137.8173.5-61.1171.7000106.4H604 P608 S684H604-I606 PolarHBondContact O-N 2.87Å; H604-I606 VanDerWaalsContact O-N 3.12Å; I606-P608 VanDerWaalsContact O-N 3.15Å; I606-S684 PolarHBondContact N-O 2.71Å; I606-S684 VanDerWaalsContact O-CA 3.29Å; I606-S684 WeakPolarHBondContact O-CA 3.14Å; I606-S684 VanDerWaalsContact O-CB 3.26Å; I606-S684 WeakPolarHBondContact O-CB 3.49Å; I606-S684 PolarHBondContact O-OG 2.73Å
607E63.4Low66.5Low183 Ų18393.3 Ų93.386%0.85548%0.48SS*.PPolyproline II helixtrans-58.6122171.3-84.9-174.417100108.3
608P64.2Low68.2Low25 Ų2589.1 Ų89.116%0.16246%0.459CS..PPolyproline II helixtrans-66.6142.5-17224.2-22.4000108.9I606 K610 N680 I683 S684I606-P608 VanDerWaalsContact O-N 3.15Å; P608-K610 PolarHBondContact O-N 3.46Å; P608-K610 VanDerWaalsContact O-N 3.13Å; P608-N680 WeakPolarHBondContact CG-OD1 3.49Å; P608-I683 HydrophobicContact CB-CB 3.87Å; P608-I683 HydrophobicContact CB-CG2 3.39Å; P608-S684 VanDerWaalsContact CD-OG 3.29Å; P608-S684 WeakPolarHBondContact CD-OG 3.16Å
609N75Confident69.8Low81 Ų8190.8 Ų90.843%0.43347%0.468SS..PPolyproline II helixtrans-57.6123.6172.9178.2-5.9000108.3E611 Q612 F613N609-E611 PolarHBondContact O-N 3.33Å; N609-E611 VanDerWaalsContact O-N 3.1Å; N609-E611 PolarHBondContact OD1-N 3.12Å; N609-E611 VanDerWaalsContact OD1-N 3.1Å; N609-Q612 HydrophobicContact CB-CB 4.21Å; N609-Q612 HydrophobicContact CB-CG 4.09Å; N609-Q612 WeakPolarHBondContact O-CA 3.24Å; N609-Q612 WeakPolarHBondContact O-CB 3.4Å; N609-Q612 PolarHBondContact O-N 3.08Å; N609-F613 PolarHBondContact O-N 2.95Å
610K77.3Confident71.7Confident146 Ų14685.5 Ų85.564%0.63544%0.436SS*.Hα-helixtrans-53.2-34-177.9-69.5-171.4177.1-172.20112.7P608 R614P608-K610 PolarHBondContact O-N 3.46Å; P608-K610 VanDerWaalsContact O-N 3.13Å; K610-R614 WeakPolarHBondContact O-CB 3.44Å; K610-R614 WeakPolarHBondContact O-CG 3.38Å; K610-R614 PolarHBondContact O-N 3.28Å; K610-R614 VanDerWaalsContact O-N 3.07Å
611E78.3Confident73.6Confident135 Ų13573.8 Ų73.863%0.63139%0.392SS*.Hα-helixtrans-68.4-42.5176.1-69.8-178.2163.400112.2N609 R614 S615N609-E611 PolarHBondContact O-N 3.33Å; N609-E611 VanDerWaalsContact O-N 3.1Å; N609-E611 PolarHBondContact OD1-N 3.12Å; N609-E611 VanDerWaalsContact OD1-N 3.1Å; E611-R614 PolarHBondContact O-N 2.93Å; E611-S615 WeakPolarHBondContact O-CB 3.33Å; E611-S615 PolarHBondContact O-N 3.24Å
612Q81.9Confident75.3Confident114 Ų11474.2 Ų74.253%0.53338%0.384SS..Hα-helixtrans-65.8-42.6177-72.4178.2-23.200111.4N609 A616 I683N609-Q612 HydrophobicContact CB-CB 4.21Å; N609-Q612 HydrophobicContact CB-CG 4.09Å; N609-Q612 WeakPolarHBondContact O-CA 3.24Å; N609-Q612 WeakPolarHBondContact O-CB 3.4Å; N609-Q612 PolarHBondContact O-N 3.08Å; Q612-A616 VanDerWaalsContact O-CB 3.3Å; Q612-A616 WeakPolarHBondContact O-CB 3.3Å; Q612-A616 PolarHBondContact O-N 2.91Å; Q612-I683 HydrophobicContact CB-CG2 4.44Å
613F86.1Confident77Confident10 Ų1077.8 Ų77.84%0.04440%0.403CS..Hα-helixtrans-61.8-46177.1179.6-100000111.8N609 A616 L617 L655 L658 V676 L679 N680 I683N609-F613 PolarHBondContact O-N 2.95Å; F613-A616 PolarHBondContact O-N 3.49Å; F613-L617 HydrophobicContact CE1-CD2 3.97Å; F613-L617 HydrophobicContact CZ-CD2 4.31Å; F613-L617 VanDerWaalsContact O-CB 3.23Å; F613-L617 WeakPolarHBondContact O-CB 3.42Å; F613-L617 PolarHBondContact O-N 3.33Å; F613-L655 HydrophobicContact CE1-CD2 4.22Å; F613-L658 HydrophobicContact CD1-CD2 4.47Å; F613-L658 HydrophobicContact CE1-CD2 3.58Å; F613-L658 HydrophobicContact CE2-CD2 4.5Å; F613-L658 HydrophobicContact CZ-CD2 3.62Å; F613-V676 HydrophobicContact CZ-CG1 4.04Å; F613-L679 HydrophobicContact CD2-CD2 4.3Å; F613-L679 HydrophobicContact CD2-CG 4.35Å; F613-L679 HydrophobicContact CE2-CB 4.2Å; F613-L679 HydrophobicContact CE2-CD2 3.91Å; F613-L679 HydrophobicContact CE2-CG 4.05Å; F613-L679 HydrophobicContact CZ-CD2 4.47Å; F613-N680 HydrophobicContact CD2-CB 4.13Å; F613-N680 HydrophobicContact CE2-CB 3.63Å; F613-N680 HydrophobicContact CZ-CB 4.42Å; F613-I683 HydrophobicContact CB-CD1 4.25Å; F613-I683 HydrophobicContact CD2-CD1 4.03Å
614R84Confident78.8Confident36 Ų3677 Ų7714%0.13640%0.402CS..Hα-helixtrans-62.6-47.7178.5-76.3178.4178.1146.9-14.5112.5K610 E611 A616 L617 E618 I635 P637 A639 L655K610-R614 WeakPolarHBondContact O-CB 3.44Å; K610-R614 WeakPolarHBondContact O-CG 3.38Å; K610-R614 PolarHBondContact O-N 3.28Å; K610-R614 VanDerWaalsContact O-N 3.07Å; E611-R614 PolarHBondContact O-N 2.93Å; R614-A616 VanDerWaalsContact C-N 3.31Å; R614-A616 PolarHBondContact O-N 2.85Å; R614-L617 PolarHBondContact O-N 3.18Å; R614-E618 PolarHBondContact O-N 3.08Å; R614-I635 HydrophobicContact CB-CG2 4.31Å; R614-I635 HydrophobicContact CG-CG2 4.07Å; R614-P637 VanDerWaalsContact NH1-C 3.32Å; R614-P637 PolarHBondContact NH1-O 3.22Å; R614-P637 PolarHBondContact NH2-O 3.25Å; R614-A639 PolarHBondContact NH2-O 3.4Å; R614-L655 HydrophobicContact CG-CD1 4.15Å
615S84.3Confident80.5Confident74 Ų7471.1 Ų71.152%0.51738%0.375SS..Hα-helixtrans-61.9-40.5178.8178.40000111.9E611 V619E611-S615 WeakPolarHBondContact O-CB 3.33Å; E611-S615 PolarHBondContact O-N 3.24Å; S615-V619 WeakPolarHBondContact O-CG2 3.3Å; S615-V619 PolarHBondContact O-N 3.45Å
616A86.5Confident82Confident30 Ų3068.5 Ų68.525%0.24837%0.369CS..Hα-helixtrans-71.4-31.8177.100000112.5Q612 F613 R614 A620 L679 I683Q612-A616 VanDerWaalsContact O-CB 3.3Å; Q612-A616 WeakPolarHBondContact O-CB 3.3Å; Q612-A616 PolarHBondContact O-N 2.91Å; F613-A616 PolarHBondContact O-N 3.49Å; R614-A616 VanDerWaalsContact C-N 3.31Å; R614-A616 PolarHBondContact O-N 2.85Å; A616-A620 VanDerWaalsContact O-CB 3.28Å; A616-A620 WeakPolarHBondContact O-CB 3.47Å; A616-A620 PolarHBondContact O-N 2.73Å; A616-L679 HydrophobicContact CB-CD1 3.9Å; A616-L679 HydrophobicContact CB-CD2 4.19Å; A616-L679 HydrophobicContact CB-CG 4.37Å; A616-I683 HydrophobicContact CB-CD1 3.73Å
617L89.3Confident83.1Confident0 Ų068 Ų680%037%0.366CS..Hα-helixtrans-69.3-42.8178179.864.3000110.9F613 R614 A620 L621 I635 V653 L655 V676 L679F613-L617 HydrophobicContact CE1-CD2 3.97Å; F613-L617 HydrophobicContact CZ-CD2 4.31Å; F613-L617 VanDerWaalsContact O-CB 3.23Å; F613-L617 WeakPolarHBondContact O-CB 3.42Å; F613-L617 PolarHBondContact O-N 3.33Å; R614-L617 PolarHBondContact O-N 3.18Å; L617-A620 PolarHBondContact O-N 3.05Å; L617-L621 HydrophobicContact CD1-CD1 3.94Å; L617-L621 HydrophobicContact CD1-CG 4.04Å; L617-L621 HydrophobicContact CD2-CD1 4.47Å; L617-L621 HydrophobicContact CG-CD1 3.82Å; L617-L621 HydrophobicContact CG-CG 4.32Å; L617-L621 WeakPolarHBondContact O-CB 3.41Å; L617-L621 VanDerWaalsContact O-CG 3.25Å; L617-L621 WeakPolarHBondContact O-CG 3.46Å; L617-L621 PolarHBondContact O-N 2.88Å; L617-I635 HydrophobicContact CB-CD1 4.42Å; L617-I635 HydrophobicContact CD2-CD1 4.33Å; L617-I635 HydrophobicContact CG-CD1 4.35Å; L617-V653 HydrophobicContact CD2-CG1 4.48Å; L617-L655 HydrophobicContact CD2-CD2 3.58Å; L617-V676 HydrophobicContact CD1-CG2 3.95Å; L617-L679 HydrophobicContact CB-CD2 3.67Å; L617-L679 HydrophobicContact CD1-CD2 3.96Å; L617-L679 HydrophobicContact CG-CD2 4.44Å
618E87.4Confident84Confident37 Ų3766.3 Ų66.317%0.17336%0.363CS..Hα-helixtrans-55.2-52.7173.8-172.3-178.9128.800111R614 A620 L621 Q622 L630 E633 I634 I635R614-E618 PolarHBondContact O-N 3.08Å; E618-A620 PolarHBondContact O-N 3.38Å; E618-L621 PolarHBondContact O-N 2.92Å; E618-Q622 WeakPolarHBondContact O-CB 3.41Å; E618-Q622 WeakPolarHBondContact O-CG 3.34Å; E618-Q622 PolarHBondContact O-N 2.99Å; E618-L630 HydrophobicContact CG-CD1 3.98Å; E618-E633 VanDerWaalsContact CD-O 3.27Å; E618-I634 WeakPolarHBondContact OE2-CA 3.35Å; E618-I635 HydrophobicContact CB-CD1 3.84Å; E618-I635 HydrophobicContact CB-CG1 4.19Å; E618-I635 HydrophobicContact CG-CG1 4.43Å; E618-I635 PolarHBondContact OE2-N 3.48Å
619V87.7Confident85.1Confident89 Ų8965.3 Ų65.354%0.53936%0.357SS..Hα-helixtrans-60.8-43.6178.2174.70000111.5S615 L621 Q622 D623S615-V619 WeakPolarHBondContact O-CG2 3.3Å; S615-V619 PolarHBondContact O-N 3.45Å; V619-L621 PolarHBondContact O-N 2.9Å; V619-Q622 PolarHBondContact O-N 3.23Å; V619-D623 VanDerWaalsContact O-CB 3.28Å; V619-D623 WeakPolarHBondContact O-CB 3.48Å; V619-D623 PolarHBondContact O-N 3.46Å
620A89.2Confident85.6Confident27 Ų2762.2 Ų62.222%0.22334%0.34CS..Hα-helixtrans-65.5-38.2-179.500000112.8A616 L617 E618 A624 M675A616-A620 VanDerWaalsContact O-CB 3.28Å; A616-A620 WeakPolarHBondContact O-CB 3.47Å; A616-A620 PolarHBondContact O-N 2.73Å; L617-A620 PolarHBondContact O-N 3.05Å; E618-A620 PolarHBondContact O-N 3.38Å; A620-A624 VanDerWaalsContact O-CB 3.28Å; A620-A624 WeakPolarHBondContact O-CB 3.36Å; A620-A624 PolarHBondContact O-N 3.35Å; A620-M675 HydrophobicContact CB-SD 4.33Å
621L90.4Very high85.4Confident0 Ų061.6 Ų61.60%034%0.339CS..Hα-helixtrans-70.7-44.9177.7-70.2171.8000111.1L617 E618 V619 D623 A624 F625 L630 V642 V644 L672 M675L617-L621 HydrophobicContact CD1-CD1 3.94Å; L617-L621 HydrophobicContact CD1-CG 4.04Å; L617-L621 HydrophobicContact CD2-CD1 4.47Å; L617-L621 HydrophobicContact CG-CD1 3.82Å; L617-L621 HydrophobicContact CG-CG 4.32Å; L617-L621 WeakPolarHBondContact O-CB 3.41Å; L617-L621 VanDerWaalsContact O-CG 3.25Å; L617-L621 WeakPolarHBondContact O-CG 3.46Å; L617-L621 PolarHBondContact O-N 2.88Å; E618-L621 PolarHBondContact O-N 2.92Å; V619-L621 PolarHBondContact O-N 2.9Å; L621-D623 PolarHBondContact O-N 2.72Å; L621-A624 PolarHBondContact O-N 2.97Å; L621-F625 HydrophobicContact CD2-CD2 4.17Å; L621-F625 HydrophobicContact CD2-CE2 4.06Å; L621-F625 PolarHBondContact O-N 2.74Å; L621-L630 HydrophobicContact CB-CD2 4.44Å; L621-L630 HydrophobicContact CD1-CD2 3.85Å; L621-V642 HydrophobicContact CD1-CG1 4.37Å; L621-V644 HydrophobicContact CD1-CG2 3.9Å; L621-V644 HydrophobicContact CD2-CG1 4.35Å; L621-V644 HydrophobicContact CD2-CG2 4.2Å; L621-L672 HydrophobicContact CD2-CD2 3.45Å; L621-L672 VanDerWaalsContact CD2-CD2 3.45Å; L621-M675 HydrophobicContact CD2-SD 3.99Å
622Q88.1Confident84.8Confident45 Ų4559.6 Ų59.621%0.2133%0.33CS..Hα-helixtrans-64.2-38.9178-70.4175.7-5.900112.4E618 V619 A624 G626 L630 E633E618-Q622 WeakPolarHBondContact O-CB 3.41Å; E618-Q622 WeakPolarHBondContact O-CG 3.34Å; E618-Q622 PolarHBondContact O-N 2.99Å; V619-Q622 PolarHBondContact O-N 3.23Å; Q622-A624 VanDerWaalsContact C-N 3.33Å; Q622-G626 CarbonylContact O-C 3.55Å; Q622-G626 WeakPolarHBondContact O-CA 3.43Å; Q622-G626 PolarHBondContact O-N 3.34Å; Q622-L630 HydrophobicContact CG-CD1 4.3Å; Q622-E633 PolarHBondContact NE2-O 3.42Å
623D88.2Confident84Confident149 Ų14960.9 Ų60.980%0.79734%0.336SS*.Hα-helixtrans-67.4-34.8176.4-166.855.1000111.8V619 L621V619-D623 VanDerWaalsContact O-CB 3.28Å; V619-D623 WeakPolarHBondContact O-CB 3.48Å; V619-D623 PolarHBondContact O-N 3.46Å; L621-D623 PolarHBondContact O-N 2.72Å
624A86.6Confident83.1Confident50 Ų5066 Ų6641%0.41336%0.363SS..Hα-helixtrans-83.1-35.8-178.100000114.6A620 L621 Q622 M675A620-A624 VanDerWaalsContact O-CB 3.28Å; A620-A624 WeakPolarHBondContact O-CB 3.36Å; A620-A624 PolarHBondContact O-N 3.35Å; L621-A624 PolarHBondContact O-N 2.97Å; Q622-A624 VanDerWaalsContact C-N 3.33Å; A624-M675 HydrophobicContact CB-CE 3.42Å; A624-M675 VanDerWaalsContact CB-CE 3.42Å; A624-M675 HydrophobicContact CB-SD 4.41Å
625F89.9Confident82.7Confident56 Ų5665.1 Ų65.125%0.24636%0.361CS..Hα-helixtrans-125.21.5-169.8-55.4-68.6000114.1L621 C629 V644 V646 L668 I671 L672 M675L621-F625 HydrophobicContact CD2-CD2 4.17Å; L621-F625 HydrophobicContact CD2-CE2 4.06Å; L621-F625 PolarHBondContact O-N 2.74Å; F625-C629 HydrophobicContact CB-CB 3.61Å; F625-V644 HydrophobicContact CD2-CG1 4.39Å; F625-V646 HydrophobicContact CB-CG2 4.07Å; F625-V646 HydrophobicContact CD1-CB 4.32Å; F625-V646 HydrophobicContact CD1-CG1 3.77Å; F625-V646 HydrophobicContact CD1-CG2 3.51Å; F625-V646 HydrophobicContact CD2-CG2 4.27Å; F625-V646 HydrophobicContact CE1-CG1 4.22Å; F625-V646 HydrophobicContact CE1-CG2 3.96Å; F625-V646 HydrophobicContact CG-CG2 3.68Å; F625-L668 HydrophobicContact CE1-CD1 3.96Å; F625-L668 HydrophobicContact CZ-CD1 4.03Å; F625-I671 HydrophobicContact CZ-CG2 4.2Å; F625-L672 HydrophobicContact CD2-CD2 4.45Å; F625-L672 HydrophobicContact CE2-CD2 3.52Å; F625-L672 HydrophobicContact CE2-CG 4.42Å; F625-L672 HydrophobicContact CZ-CD2 3.99Å; F625-L672 HydrophobicContact CZ-CG 4.43Å; F625-M675 HydrophobicContact CE2-CE 4.23Å; F625-M675 HydrophobicContact CE2-SD 4.43Å
626G84.7Confident82.2Confident34 Ų3466.2 Ų66.235%0.35136%0.356SS..  trans89.8163.1-176.400000112.9Q622 D628 C629Q622-G626 CarbonylContact O-C 3.55Å; Q622-G626 WeakPolarHBondContact O-CA 3.43Å; Q622-G626 PolarHBondContact O-N 3.34Å; G626-D628 VanDerWaalsContact C-N 3.26Å; G626-D628 PolarHBondContact O-N 3.26Å; G626-C629 WeakPolarHBondContact O-CB 3.27Å; G626-C629 PolarHBondContact O-N 2.68Å; G626-C629 PolarHBondContact O-SG 2.92Å
627I82.4Confident81.4Confident106 Ų10669.5 Ų69.554%0.54438%0.375SS..G310 helixtrans-64.4-32.3-172.5-58167.9000111.8C629I627-C629 PolarHBondContact O-N 3.01Å
628D82.9Confident80.7Confident149 Ų14975.4 Ų75.480%0.79741%0.407SS*.G310 helixtrans-804.8-177.1-55.9-38.9000113.8G626 L630G626-D628 VanDerWaalsContact C-N 3.26Å; G626-D628 PolarHBondContact O-N 3.26Å; D628-L630 PolarHBondContact O-N 2.86Å
629C86.6Confident80.2Confident3 Ų374.8 Ų74.82%0.0241%0.408CS..G310 helixtrans-75.4-10.4-175.677.80000113.7F625 G626 I627 V644 H645F625-C629 HydrophobicContact CB-CB 3.61Å; G626-C629 WeakPolarHBondContact O-CB 3.27Å; G626-C629 PolarHBondContact O-N 2.68Å; G626-C629 PolarHBondContact O-SG 2.92Å; I627-C629 PolarHBondContact O-N 3.01Å; C629-V644 HydrophobicContact CB-CG1 4.42Å; C629-V644 CarbonylContact O-C 3.57Å; C629-V644 VanDerWaalsContact O-CA 3.3Å; C629-V644 WeakPolarHBondContact O-CA 3.39Å; C629-H645 WeakPolarHBondContact CA-O 3.44Å; C629-H645 WeakPolarHBondContact CB-O 3.33Å; C629-H645 PolarHBondContact O-N 2.85Å
630L85Confident80Confident16 Ų1674.9 Ų74.98%0.08441%0.405CS..BIsolated β-bridgetrans-111.9138.9-178.3-61.4174.9000110.1E618 L621 Q622 D628 E632 V642 V644E618-L630 HydrophobicContact CG-CD1 3.98Å; L621-L630 HydrophobicContact CB-CD2 4.44Å; L621-L630 HydrophobicContact CD1-CD2 3.85Å; Q622-L630 HydrophobicContact CG-CD1 4.3Å; D628-L630 PolarHBondContact O-N 2.86Å; L630-E632 WeakPolarHBondContact CB-O 3.26Å; L630-E632 PolarHBondContact O-N 3.35Å; L630-V642 HydrophobicContact CD2-CG1 3.58Å; L630-V644 HydrophobicContact CD2-CG2 4.19Å
631E73Confident79.9Confident133 Ų13377.7 Ų77.762%0.62141%0.414SS*.SBendtrans-61.3-28.3174.8-79.4-167.715500112.8I643 H645E631-I643 HydrophobicContact CG-CB 4.25Å; E631-I643 HydrophobicContact CG-CG2 4.24Å; E631-H645 WeakPolarHBondContact CG-NE2 3.45Å; E631-H645 IonicContact OE1-NE2 3.75Å
632E67.6Low79.8Confident94 Ų9478.2 Ų78.244%0.43942%0.417SS..SBendtrans-127.3131173.3-63.1-171.7165.500108.9L630 I634 K636L630-E632 WeakPolarHBondContact CB-O 3.26Å; L630-E632 PolarHBondContact O-N 3.35Å; E632-I634 PolarHBondContact O-N 3.49Å; E632-K636 IonicContact OE1-NZ 2.63Å; E632-K636 PolarHBondContact OE1-NZ 2.93Å; E632-K636 WeakPolarHBondContact OE2-CD 3.39Å; E632-K636 WeakPolarHBondContact OE2-CE 3.2Å; E632-K636 WeakPolarHBondContact OE2-CG 3.44Å; E632-K636 IonicContact OE2-NZ 2.93Å; E632-K636 PolarHBondContact OE2-NZ 3.35Å
633E63.3Low79.8Confident140 Ų14078.8 Ų78.865%0.65442%0.421SS*.SBendtrans-58.1-20.9179.8-74.2-176.5168.700113E618 Q622E618-E633 VanDerWaalsContact CD-O 3.27Å; Q622-E633 PolarHBondContact NE2-O 3.42Å
634I68.4Low79.9Confident119 Ų11971.7 Ų71.761%0.6138%0.383SS*.SBendtrans-126.3124.3-179.1-57.1172000109.2E618 E632 K636E618-I634 WeakPolarHBondContact OE2-CA 3.35Å; E632-I634 PolarHBondContact O-N 3.49Å; I634-K636 PolarHBondContact O-N 3.21Å; I634-K636 VanDerWaalsContact O-N 3.08Å
635I74.1Confident80Confident17 Ų1772.5 Ų72.59%0.08738%0.378CS..  trans-70.2107.5174.9-59.5173.5000109.2R614 L617 E618 A639 V642 L655R614-I635 HydrophobicContact CB-CG2 4.31Å; R614-I635 HydrophobicContact CG-CG2 4.07Å; L617-I635 HydrophobicContact CB-CD1 4.42Å; L617-I635 HydrophobicContact CD2-CD1 4.33Å; L617-I635 HydrophobicContact CG-CD1 4.35Å; E618-I635 HydrophobicContact CB-CD1 3.84Å; E618-I635 HydrophobicContact CB-CG1 4.19Å; E618-I635 HydrophobicContact CG-CG1 4.43Å; E618-I635 PolarHBondContact OE2-N 3.48Å; I635-A639 HydrophobicContact CG2-CB 4.47Å; I635-V642 HydrophobicContact CD1-CG1 4.36Å; I635-V642 HydrophobicContact CD1-CG2 3.98Å; I635-V642 HydrophobicContact CG1-CG1 4.49Å; I635-V642 HydrophobicContact CG1-CG2 4.15Å; I635-V642 HydrophobicContact CG2-CG2 3.81Å; I635-L655 HydrophobicContact CG2-CD1 3.94Å
636K74.8Confident79.9Confident96 Ų9671 Ų7142%0.41737%0.373SS..  trans-56.4144.4-177.7-73.7175.9176.4145.90113.4E632 I634 D638 A639E632-K636 IonicContact OE1-NZ 2.63Å; E632-K636 PolarHBondContact OE1-NZ 2.93Å; E632-K636 WeakPolarHBondContact OE2-CD 3.39Å; E632-K636 WeakPolarHBondContact OE2-CE 3.2Å; E632-K636 WeakPolarHBondContact OE2-CG 3.44Å; E632-K636 IonicContact OE2-NZ 2.93Å; E632-K636 PolarHBondContact OE2-NZ 3.35Å; I634-K636 PolarHBondContact O-N 3.21Å; I634-K636 VanDerWaalsContact O-N 3.08Å; K636-D638 WeakPolarHBondContact CB-OD1 3.35Å; K636-D638 PolarHBondContact O-N 2.98Å; K636-D638 VanDerWaalsContact O-N 3.1Å; K636-A639 HydrophobicContact CB-CB 4.32Å; K636-A639 WeakPolarHBondContact O-CB 3.49Å; K636-A639 PolarHBondContact O-N 3.46Å; K636-A639 VanDerWaalsContact O-N 3.1Å
637P69.1Low79.9Confident100 Ų10076.9 Ų76.965%0.64940%0.397SS*.THydrogen-bonded Turntrans-61.6-19.2179.9-21.732000115.1R614R614-P637 VanDerWaalsContact NH1-C 3.32Å; R614-P637 PolarHBondContact NH1-O 3.22Å; R614-P637 PolarHBondContact NH2-O 3.25Å
638D75.3Confident80.1Confident124 Ų12476.7 Ų76.766%0.66340%0.404SS*.THydrogen-bonded Turntrans-106.11.8-18060.2-29.7000113.3K636 N640K636-D638 WeakPolarHBondContact CB-OD1 3.35Å; K636-D638 PolarHBondContact O-N 2.98Å; K636-D638 VanDerWaalsContact O-N 3.1Å; D638-N640 PolarHBondContact O-N 2.87Å
639A76Confident80.3Confident24 Ų2471.7 Ų71.720%0.19838%0.376CS..  trans-67.5129.4177.200000111.5R614 I635 K636R614-A639 PolarHBondContact NH2-O 3.4Å; I635-A639 HydrophobicContact CG2-CB 4.47Å; K636-A639 HydrophobicContact CB-CB 4.32Å; K636-A639 WeakPolarHBondContact O-CB 3.49Å; K636-A639 PolarHBondContact O-N 3.46Å; K636-A639 VanDerWaalsContact O-N 3.1Å
640N84.2Confident80.4Confident91 Ų9175 Ų7549%0.48740%0.396SS..SBendtrans-90.1-22.5171.6-70.6-24.5000112.3D638 L655D638-N640 PolarHBondContact O-N 2.87Å; N640-L655 PolarHBondContact O-N 3.18Å
641H86.6Confident80.7Confident86 Ų8674.3 Ų74.340%0.39839%0.393SS..EExtended strand (participates in β ladder)trans-137.5150.6-176.2-52.5-84.2000109.7E652 V653H641-E652 HydrophobicContact CB-CG 4.18Å; H641-E652 IonicContact CE1-OE1 3.27Å; H641-E652 IonicContact CG-OE1 3.35Å; H641-E652 IonicContact ND1-OE1 3.36Å; H641-E652 PolarHBondContact ND1-OE1 2.97Å; H641-V653 CarbonylContact C-O 3.52Å; H641-V653 VanDerWaalsContact CA-O 3.26Å; H641-V653 WeakPolarHBondContact CA-O 3.35Å
642V88Confident81.6Confident11 Ų1172 Ų727%0.06738%0.382CS..EExtended strand (participates in β ladder)trans-122.3128.4172.7178.70000108L621 L630 I635 V644 V653 L655L621-V642 HydrophobicContact CD1-CG1 4.37Å; L630-V642 HydrophobicContact CD2-CG1 3.58Å; I635-V642 HydrophobicContact CD1-CG1 4.36Å; I635-V642 HydrophobicContact CD1-CG2 3.98Å; I635-V642 HydrophobicContact CG1-CG1 4.49Å; I635-V642 HydrophobicContact CG1-CG2 4.15Å; I635-V642 HydrophobicContact CG2-CG2 3.81Å; V642-V644 HydrophobicContact CG1-CG2 4.28Å; V642-V653 HydrophobicContact CB-CB 4.35Å; V642-V653 PolarHBondContact N-O 3.02Å; V642-V653 PolarHBondContact O-N 2.79Å; V642-L655 HydrophobicContact CG2-CD1 3.67Å; V642-L655 HydrophobicContact CG2-CD2 3.88Å; V642-L655 HydrophobicContact CG2-CG 3.88Å
643I88.9Confident82.6Confident57 Ų5767.5 Ų67.529%0.29236%0.361SS..EExtended strand (participates in β ladder)trans-96.4125.2176.8-59.8-175.5000108.4E631 H645 V650E631-I643 HydrophobicContact CG-CB 4.25Å; E631-I643 HydrophobicContact CG-CG2 4.24Å; I643-H645 WeakPolarHBondContact CG2-NE2 3.4Å; I643-V650 HydrophobicContact CG2-CG1 3.49Å; I643-V650 VanDerWaalsContact CG2-CG1 3.49Å
644V89.6Confident83.8Confident0 Ų062.2 Ų62.20%034%0.337CS..EExtended strand (participates in β ladder)trans-114.5120.6-178.7-170.80000109.4L621 F625 C629 L630 V642 V646 V650 A651 V653 L672L621-V644 HydrophobicContact CD1-CG2 3.9Å; L621-V644 HydrophobicContact CD2-CG1 4.35Å; L621-V644 HydrophobicContact CD2-CG2 4.2Å; F625-V644 HydrophobicContact CD2-CG1 4.39Å; C629-V644 HydrophobicContact CB-CG1 4.42Å; C629-V644 CarbonylContact O-C 3.57Å; C629-V644 VanDerWaalsContact O-CA 3.3Å; C629-V644 WeakPolarHBondContact O-CA 3.39Å; L630-V644 HydrophobicContact CD2-CG2 4.19Å; V642-V644 HydrophobicContact CG1-CG2 4.28Å; V644-V646 HydrophobicContact CG1-CG2 4.02Å; V644-V650 WeakPolarHBondContact O-CA 3.37Å; V644-A651 HydrophobicContact CB-CB 4.5Å; V644-A651 PolarHBondContact N-O 2.89Å; V644-A651 PolarHBondContact O-N 2.89Å; V644-V653 HydrophobicContact CG2-CG2 4.08Å; V644-L672 HydrophobicContact CB-CD1 4.46Å; V644-L672 HydrophobicContact CG1-CD2 4.41Å
645H89.8Confident84.6Confident67 Ų6757.6 Ų57.631%0.3131%0.314SS..EExtended strand (participates in β ladder)trans-98.7121.5175.7-68-89.6000110C629 E631 I643C629-H645 WeakPolarHBondContact CA-O 3.44Å; C629-H645 WeakPolarHBondContact CB-O 3.33Å; C629-H645 PolarHBondContact O-N 2.85Å; E631-H645 WeakPolarHBondContact CG-NE2 3.45Å; E631-H645 IonicContact OE1-NE2 3.75Å; I643-H645 WeakPolarHBondContact CG2-NE2 3.4Å
646V87.6Confident84.9Confident25 Ų2561 Ų6115%0.15234%0.338CS..EExtended strand (participates in β ladder)trans-132.7109.7174.1-173.50000108.3F625 V644 S648 H649 L668F625-V646 HydrophobicContact CB-CG2 4.07Å; F625-V646 HydrophobicContact CD1-CB 4.32Å; F625-V646 HydrophobicContact CD1-CG1 3.77Å; F625-V646 HydrophobicContact CD1-CG2 3.51Å; F625-V646 HydrophobicContact CD2-CG2 4.27Å; F625-V646 HydrophobicContact CE1-CG1 4.22Å; F625-V646 HydrophobicContact CE1-CG2 3.96Å; F625-V646 HydrophobicContact CG-CG2 3.68Å; V644-V646 HydrophobicContact CG1-CG2 4.02Å; V646-S648 PolarHBondContact O-N 3.2Å; V646-H649 PolarHBondContact N-O 3.36Å; V646-H649 WeakPolarHBondContact O-CB 3.36Å; V646-H649 PolarHBondContact O-N 3.07Å; V646-H649 PolarHBondContact O-ND1 3.39Å; V646-L668 HydrophobicContact CB-CD1 4.24Å; V646-L668 HydrophobicContact CB-CD2 3.89Å; V646-L668 HydrophobicContact CG1-CD1 4.43Å; V646-L668 HydrophobicContact CG2-CD1 3.94Å; V646-L668 HydrophobicContact CG2-CD2 4.09Å
647D84.7Confident85.4Confident157 Ų15761 Ų6184%0.8434%0.342SS*.THydrogen-bonded Turntrans51.9-117.9-170.7-55.8-42.6000111.7
648S85.7Confident86.2Confident101 Ų10157.9 Ų57.971%0.70632%0.32SS*.THydrogen-bonded Turntrans-91.56.6176.960.30000114.1V646V646-S648 PolarHBondContact O-N 3.2Å
649H88.2Confident86.8Confident45 Ų4554.4 Ų54.421%0.20831%0.305CS..EExtended strand (participates in β ladder)trans-110.6142.3-173.2-50.187.9000110.8V646 T664 N665 L668V646-H649 PolarHBondContact N-O 3.36Å; V646-H649 WeakPolarHBondContact O-CB 3.36Å; V646-H649 PolarHBondContact O-N 3.07Å; V646-H649 PolarHBondContact O-ND1 3.39Å; H649-T664 PolarHBondContact CD2-OG1 2.88Å; H649-T664 VanDerWaalsContact CD2-OG1 3.31Å; H649-N665 HydrophobicContact CB-CB 4.37Å; H649-L668 HydrophobicContact CB-CD2 3.84Å
650V89.4Confident87.4Confident73 Ų7353.7 Ų53.744%0.44230%0.298SS..EExtended strand (participates in β ladder)trans-120.1125.6178.5-174.10000107.6I643 V644 C662I643-V650 HydrophobicContact CG2-CG1 3.49Å; I643-V650 VanDerWaalsContact CG2-CG1 3.49Å; V644-V650 WeakPolarHBondContact O-CA 3.37Å; V650-C662 PolarHBondContact O-SG 3.48Å
651A90.7Very high87.7Confident1 Ų151.9 Ų51.91%0.00829%0.293CS..EExtended strand (participates in β ladder)trans-118.5143.4175.600000109.9V644 S661 C662 L668 L672V644-A651 HydrophobicContact CB-CB 4.5Å; V644-A651 PolarHBondContact N-O 2.89Å; V644-A651 PolarHBondContact O-N 2.89Å; A651-S661 CarbonylContact C-O 3.54Å; A651-S661 VanDerWaalsContact CA-O 3.3Å; A651-S661 WeakPolarHBondContact CA-O 3.42Å; A651-C662 HydrophobicContact CB-CB 3.81Å; A651-L668 HydrophobicContact CB-CD2 4.39Å; A651-L672 HydrophobicContact CB-CD1 3.28Å
652E91Very high87.7Confident84 Ų8448 Ų4839%0.39328%0.275SS..EExtended strand (participates in β ladder)trans-113.8123.6178.6-173.7-177.7171.600109.1H641 V660 S661H641-E652 HydrophobicContact CB-CG 4.18Å; H641-E652 IonicContact CE1-OE1 3.27Å; H641-E652 IonicContact CG-OE1 3.35Å; H641-E652 IonicContact ND1-OE1 3.36Å; H641-E652 PolarHBondContact ND1-OE1 2.97Å; E652-V660 CarbonylContact O-C 3.54Å; E652-V660 WeakPolarHBondContact O-CA 3.35Å; E652-S661 PolarHBondContact N-O 3.48Å; E652-S661 PolarHBondContact O-N 3.43Å
653V90.2Very high87.6Confident0 Ų057.4 Ų57.40%032%0.315CS..EExtended strand (participates in β ladder)trans-104.1116.2175.3-177.50000108.5L617 H641 V642 V644 L655 V660 V676L617-V653 HydrophobicContact CD2-CG1 4.48Å; H641-V653 CarbonylContact C-O 3.52Å; H641-V653 VanDerWaalsContact CA-O 3.26Å; H641-V653 WeakPolarHBondContact CA-O 3.35Å; V642-V653 HydrophobicContact CB-CB 4.35Å; V642-V653 PolarHBondContact N-O 3.02Å; V642-V653 PolarHBondContact O-N 2.79Å; V644-V653 HydrophobicContact CG2-CG2 4.08Å; V653-L655 HydrophobicContact CG1-CD2 4.4Å; V653-V660 HydrophobicContact CG1-CG2 4.28Å; V653-V660 HydrophobicContact CG2-CG1 4.3Å; V653-V660 HydrophobicContact CG2-CG2 4.04Å; V653-V676 HydrophobicContact CG1-CG1 4.3Å; V653-V676 HydrophobicContact CG1-CG2 3.74Å; V653-V676 HydrophobicContact CG2-CG2 4.37Å
654N87.8Confident87.4Confident28 Ų2858.8 Ų58.815%0.1533%0.327CS..EExtended strand (participates in β ladder)trans-83.2117.4174.3-179.8-18.3000109.7C656 D657 L658 S659N654-C656 VanDerWaalsContact C-N 3.29Å; N654-C656 PolarHBondContact O-N 2.96Å; N654-C656 VanDerWaalsContact OD1-CB 3.29Å; N654-C656 WeakPolarHBondContact OD1-CB 3.34Å; N654-C656 PolarHBondContact OD1-N 2.96Å; N654-D657 WeakPolarHBondContact CB-OD1 3.39Å; N654-D657 VanDerWaalsContact ND2-CG 3.32Å; N654-D657 PolarHBondContact ND2-OD1 3.3Å; N654-D657 VanDerWaalsContact ND2-OD1 3.16Å; N654-D657 PolarHBondContact ND2-OD2 2.79Å; N654-D657 VanDerWaalsContact ND2-OD2 3.08Å; N654-D657 PolarHBondContact OD1-N 3.5Å; N654-L658 WeakPolarHBondContact O-CA 3.29Å; N654-L658 PolarHBondContact O-N 3.04Å; N654-S659 PolarHBondContact N-O 3.11Å
655L84.6Confident87.2Confident23 Ų2360.9 Ų60.912%0.1234%0.338CS..THydrogen-bonded Turntrans-78.7-12.2-176.9-62.1-178.3000113.4F613 R614 L617 I635 N640 V642 V653F613-L655 HydrophobicContact CE1-CD2 4.22Å; R614-L655 HydrophobicContact CG-CD1 4.15Å; L617-L655 HydrophobicContact CD2-CD2 3.58Å; I635-L655 HydrophobicContact CG2-CD1 3.94Å; N640-L655 PolarHBondContact O-N 3.18Å; V642-L655 HydrophobicContact CG2-CD1 3.67Å; V642-L655 HydrophobicContact CG2-CD2 3.88Å; V642-L655 HydrophobicContact CG2-CG 3.88Å; V653-L655 HydrophobicContact CG1-CD2 4.4Å
656C81.6Confident86.8Confident88 Ų8862.6 Ų62.660%0.59536%0.355SS*.THydrogen-bonded Turntrans-83.4-39.6179-67.10000112.4N654N654-C656 VanDerWaalsContact C-N 3.29Å; N654-C656 PolarHBondContact O-N 2.96Å; N654-C656 VanDerWaalsContact OD1-CB 3.29Å; N654-C656 WeakPolarHBondContact OD1-CB 3.34Å; N654-C656 PolarHBondContact OD1-N 2.96Å
657D84.1Confident86.4Confident96 Ų9671.2 Ų71.251%0.51339%0.385SS..THydrogen-bonded Turntrans-118.8-0.8-177.463.917.3000114N654 S659N654-D657 WeakPolarHBondContact CB-OD1 3.39Å; N654-D657 VanDerWaalsContact ND2-CG 3.32Å; N654-D657 PolarHBondContact ND2-OD1 3.3Å; N654-D657 VanDerWaalsContact ND2-OD1 3.16Å; N654-D657 PolarHBondContact ND2-OD2 2.79Å; N654-D657 VanDerWaalsContact ND2-OD2 3.08Å; N654-D657 PolarHBondContact OD1-N 3.5Å; D657-S659 VanDerWaalsContact CG-OG 3.3Å; D657-S659 PolarHBondContact O-N 3.32Å; D657-S659 VanDerWaalsContact OD1-CB 3.25Å; D657-S659 WeakPolarHBondContact OD1-CB 3.26Å; D657-S659 PolarHBondContact OD1-N 3.13Å; D657-S659 PolarHBondContact OD1-OG 3.31Å; D657-S659 PolarHBondContact OD2-OG 3.19Å
658L85.5Confident86.5Confident35 Ų3564.1 Ų64.118%0.18335%0.347CS..  trans61.520.3-179.7-52.6177.6000113.8F613 N654 Q673 V676 N680F613-L658 HydrophobicContact CD1-CD2 4.47Å; F613-L658 HydrophobicContact CE1-CD2 3.58Å; F613-L658 HydrophobicContact CE2-CD2 4.5Å; F613-L658 HydrophobicContact CZ-CD2 3.62Å; N654-L658 WeakPolarHBondContact O-CA 3.29Å; N654-L658 PolarHBondContact O-N 3.04Å; L658-Q673 PolarHBondContact O-NE2 2.98Å; L658-V676 HydrophobicContact CB-CG1 3.86Å; L658-V676 HydrophobicContact CD2-CG1 4Å; L658-V676 HydrophobicContact CG-CG1 4.45Å; L658-N680 HydrophobicContact CD1-CB 3.79Å; L658-N680 WeakPolarHBondContact CD1-ND2 3.29Å
659S87.9Confident86.6Confident50 Ų5062.9 Ų62.935%0.3533%0.33SS..  trans-78.7144.5173.364.80000111.4N654 D657N654-S659 PolarHBondContact N-O 3.11Å; D657-S659 VanDerWaalsContact CG-OG 3.3Å; D657-S659 PolarHBondContact O-N 3.32Å; D657-S659 VanDerWaalsContact OD1-CB 3.25Å; D657-S659 WeakPolarHBondContact OD1-CB 3.26Å; D657-S659 PolarHBondContact OD1-N 3.13Å; D657-S659 PolarHBondContact OD1-OG 3.31Å; D657-S659 PolarHBondContact OD2-OG 3.19Å
660V89.5Confident86.2Confident9 Ų966.1 Ų66.16%0.05535%0.345CS..EExtended strand (participates in β ladder)trans-117.1138.2173.9-174.50000109.5E652 V653 E669 L672 Q673 V676E652-V660 CarbonylContact O-C 3.54Å; E652-V660 WeakPolarHBondContact O-CA 3.35Å; V653-V660 HydrophobicContact CG1-CG2 4.28Å; V653-V660 HydrophobicContact CG2-CG1 4.3Å; V653-V660 HydrophobicContact CG2-CG2 4.04Å; V660-E669 HydrophobicContact CG1-CG 4.38Å; V660-E669 WeakPolarHBondContact O-CG 3.27Å; V660-L672 HydrophobicContact CB-CB 4.44Å; V660-L672 HydrophobicContact CG1-CB 3.72Å; V660-L672 HydrophobicContact CG1-CD1 4.11Å; V660-L672 HydrophobicContact CG2-CB 4.19Å; V660-Q673 HydrophobicContact CB-CB 4.34Å; V660-Q673 HydrophobicContact CG2-CB 4.27Å; V660-V676 HydrophobicContact CG2-CG2 4.12Å
661S89.4Confident86Confident54 Ų5466.9 Ų66.938%0.37835%0.346SS..EExtended strand (participates in β ladder)trans-128130.6171.873.90000111.3A651 E652A651-S661 CarbonylContact C-O 3.54Å; A651-S661 VanDerWaalsContact CA-O 3.3Å; A651-S661 WeakPolarHBondContact CA-O 3.42Å; E652-S661 PolarHBondContact N-O 3.48Å; E652-S661 PolarHBondContact O-N 3.43Å
662C88.6Confident85.9Confident3 Ų366.8 Ų66.82%0.0235%0.345CS..  trans-13999.2171.2-172.40000110.3V650 A651 T664 N665 E669V650-C662 PolarHBondContact O-SG 3.48Å; A651-C662 HydrophobicContact CB-CB 3.81Å; C662-T664 PolarHBondContact O-N 3.13Å; C662-T664 VanDerWaalsContact O-N 3.13Å; C662-N665 PolarHBondContact O-N 2.91Å; C662-E669 HydrophobicContact CB-CB 3.89Å; C662-E669 PolarHBondContact N-OE2 2.88Å
663K84.3Confident85.7Confident209 Ų20965.6 Ų65.691%0.90934%0.339SS*.THydrogen-bonded Turntrans-62.8-23.9-176.2-66.8-178.5-178.81720114
664T84.5Confident85.3Confident87 Ų8767.5 Ų67.553%0.53435%0.351SS..THydrogen-bonded Turntrans-99.9-18.9-172.1540000113H649 C662H649-T664 PolarHBondContact CD2-OG1 2.88Å; H649-T664 VanDerWaalsContact CD2-OG1 3.31Å; C662-T664 PolarHBondContact O-N 3.13Å; C662-T664 VanDerWaalsContact O-N 3.13Å
665N85.2Confident85.2Confident44 Ų4468.3 Ų68.324%0.23535%0.354CS..  trans-149.198.3-177-169.5-25.5000112.6H649 C662 R667 L668 E669H649-N665 HydrophobicContact CB-CB 4.37Å; C662-N665 PolarHBondContact O-N 2.91Å; N665-R667 PolarHBondContact O-N 2.88Å; N665-R667 WeakPolarHBondContact OD1-CB 3.48Å; N665-R667 PolarHBondContact OD1-N 3.25Å; N665-L668 HydrophobicContact CB-CB 3.84Å; N665-L668 PolarHBondContact O-N 3.1Å; N665-L668 VanDerWaalsContact O-N 3.15Å; N665-L668 PolarHBondContact OD1-N 3.31Å; N665-E669 PolarHBondContact O-N 3.01Å
666P82.9Confident85.3Confident103 Ų10367.2 Ų67.267%0.66935%0.349SS*.Hα-helixtrans-61.7-27.9178.4-22.532.3000113.9H670P666-H670 PolarHBondContact O-N 3.28Å; P666-H670 VanDerWaalsContact O-N 3.12Å
667R79Confident85.3Confident205 Ų20564.9 Ų64.977%0.77433%0.333SS*.Hα-helixtrans-71.3-42.2176.4-70.2-176.5176176.1-1110.9N665 H670 I671N665-R667 PolarHBondContact O-N 2.88Å; N665-R667 WeakPolarHBondContact OD1-CB 3.48Å; N665-R667 PolarHBondContact OD1-N 3.25Å; R667-H670 PolarHBondContact O-N 2.97Å; R667-I671 VanDerWaalsContact O-CG1 3.27Å; R667-I671 WeakPolarHBondContact O-CG1 3.48Å; R667-I671 PolarHBondContact O-N 2.85Å
668L86.8Confident85.1Confident8 Ų866.2 Ų66.24%0.04233%0.331CS..Hα-helixtrans-62.9-43.8176-179.561.3000110.9F625 V646 H649 A651 N665 H670 I671 L672F625-L668 HydrophobicContact CE1-CD1 3.96Å; F625-L668 HydrophobicContact CZ-CD1 4.03Å; V646-L668 HydrophobicContact CB-CD1 4.24Å; V646-L668 HydrophobicContact CB-CD2 3.89Å; V646-L668 HydrophobicContact CG1-CD1 4.43Å; V646-L668 HydrophobicContact CG2-CD1 3.94Å; V646-L668 HydrophobicContact CG2-CD2 4.09Å; H649-L668 HydrophobicContact CB-CD2 3.84Å; A651-L668 HydrophobicContact CB-CD2 4.39Å; N665-L668 HydrophobicContact CB-CB 3.84Å; N665-L668 PolarHBondContact O-N 3.1Å; N665-L668 VanDerWaalsContact O-N 3.15Å; N665-L668 PolarHBondContact OD1-N 3.31Å; L668-H670 VanDerWaalsContact C-N 3.32Å; L668-H670 PolarHBondContact O-N 2.93Å; L668-I671 PolarHBondContact O-N 2.82Å; L668-L672 HydrophobicContact CD1-CD1 4.02Å; L668-L672 HydrophobicContact CD1-CG 4.15Å; L668-L672 HydrophobicContact CG-CD1 3.94Å; L668-L672 HydrophobicContact CG-CG 4.48Å; L668-L672 WeakPolarHBondContact O-CB 3.4Å; L668-L672 WeakPolarHBondContact O-CG 3.2Å; L668-L672 PolarHBondContact O-N 2.96Å
669E87.3Confident85.1Confident75 Ų7566 Ų6635%0.3533%0.33SS..Hα-helixtrans-52.8-50173.2-169.6174.8124.100111.3V660 C662 N665 L672 Q673V660-E669 HydrophobicContact CG1-CG 4.38Å; V660-E669 WeakPolarHBondContact O-CG 3.27Å; C662-E669 HydrophobicContact CB-CB 3.89Å; C662-E669 PolarHBondContact N-OE2 2.88Å; N665-E669 PolarHBondContact O-N 3.01Å; E669-L672 PolarHBondContact O-N 2.92Å; E669-Q673 VanDerWaalsContact O-CB 3.27Å; E669-Q673 WeakPolarHBondContact O-CB 3.24Å; E669-Q673 PolarHBondContact O-N 3.03Å
670H79.9Confident84.8Confident114 Ų11465.7 Ų65.753%0.52832%0.324SS..Hα-helixtrans-63.4-44.2179.4-173.572.6000112.8P666 R667 L668 L672 Q673 V674P666-H670 PolarHBondContact O-N 3.28Å; P666-H670 VanDerWaalsContact O-N 3.12Å; R667-H670 PolarHBondContact O-N 2.97Å; L668-H670 VanDerWaalsContact C-N 3.32Å; L668-H670 PolarHBondContact O-N 2.93Å; H670-L672 PolarHBondContact O-N 3.29Å; H670-Q673 PolarHBondContact O-N 3.41Å; H670-V674 WeakPolarHBondContact O-CB 3.3Å; H670-V674 VanDerWaalsContact O-CG2 3.29Å; H670-V674 WeakPolarHBondContact O-CG2 3.31Å; H670-V674 PolarHBondContact O-N 3.14Å
671I85Confident83.9Confident88 Ų8867.4 Ų67.445%0.45133%0.332SS..Hα-helixtrans-59.5-49178.5-70.5164.6000110.5F625 R667 L668 V674 M675F625-I671 HydrophobicContact CZ-CG2 4.2Å; R667-I671 VanDerWaalsContact O-CG1 3.27Å; R667-I671 WeakPolarHBondContact O-CG1 3.48Å; R667-I671 PolarHBondContact O-N 2.85Å; L668-I671 PolarHBondContact O-N 2.82Å; I671-V674 PolarHBondContact O-N 3.26Å; I671-M675 WeakPolarHBondContact O-CB 3.48Å; I671-M675 PolarHBondContact O-N 2.9Å
672L88.5Confident83.2Confident0 Ų068.1 Ų68.10%034%0.336CS..Hα-helixtrans-65-43178.7-75.5171.6000111.5L621 F625 V644 A651 V660 L668 E669 H670 V674 M675 V676L621-L672 HydrophobicContact CD2-CD2 3.45Å; L621-L672 VanDerWaalsContact CD2-CD2 3.45Å; F625-L672 HydrophobicContact CD2-CD2 4.45Å; F625-L672 HydrophobicContact CE2-CD2 3.52Å; F625-L672 HydrophobicContact CE2-CG 4.42Å; F625-L672 HydrophobicContact CZ-CD2 3.99Å; F625-L672 HydrophobicContact CZ-CG 4.43Å; V644-L672 HydrophobicContact CB-CD1 4.46Å; V644-L672 HydrophobicContact CG1-CD2 4.41Å; A651-L672 HydrophobicContact CB-CD1 3.28Å; V660-L672 HydrophobicContact CB-CB 4.44Å; V660-L672 HydrophobicContact CG1-CB 3.72Å; V660-L672 HydrophobicContact CG1-CD1 4.11Å; V660-L672 HydrophobicContact CG2-CB 4.19Å; L668-L672 HydrophobicContact CD1-CD1 4.02Å; L668-L672 HydrophobicContact CD1-CG 4.15Å; L668-L672 HydrophobicContact CG-CD1 3.94Å; L668-L672 HydrophobicContact CG-CG 4.48Å; L668-L672 WeakPolarHBondContact O-CB 3.4Å; L668-L672 WeakPolarHBondContact O-CG 3.2Å; L668-L672 PolarHBondContact O-N 2.96Å; E669-L672 PolarHBondContact O-N 2.92Å; H670-L672 PolarHBondContact O-N 3.29Å; L672-V674 VanDerWaalsContact C-N 3.31Å; L672-V674 PolarHBondContact O-N 2.66Å; L672-M675 PolarHBondContact O-N 2.83Å; L672-M675 VanDerWaalsContact O-N 3.17Å; L672-V676 WeakPolarHBondContact O-CB 3.35Å; L672-V676 VanDerWaalsContact O-CG2 3.24Å; L672-V676 WeakPolarHBondContact O-CG2 3.25Å; L672-V676 PolarHBondContact O-N 3.08Å
673Q87.6Confident82.8Confident58 Ų5868.7 Ų68.727%0.27134%0.339SS..Hα-helixtrans-58.7-43.6176.8-173.564.258.200111.4L658 V660 E669 H670 S677L658-Q673 PolarHBondContact O-NE2 2.98Å; V660-Q673 HydrophobicContact CB-CB 4.34Å; V660-Q673 HydrophobicContact CG2-CB 4.27Å; E669-Q673 VanDerWaalsContact O-CB 3.27Å; E669-Q673 WeakPolarHBondContact O-CB 3.24Å; E669-Q673 PolarHBondContact O-N 3.03Å; H670-Q673 PolarHBondContact O-N 3.41Å; Q673-S677 PolarHBondContact NE2-OG 3.45Å; Q673-S677 VanDerWaalsContact O-CB 3.25Å; Q673-S677 WeakPolarHBondContact O-CB 3.5Å; Q673-S677 PolarHBondContact O-N 2.91Å; Q673-S677 PolarHBondContact O-OG 2.99Å
674V81.3Confident82.1Confident41 Ų4159.2 Ų59.225%0.24830%0.299CS..Hα-helixtrans-65.5-43.2176.4170.90000110.9H670 I671 L672 S677 R678H670-V674 WeakPolarHBondContact O-CB 3.3Å; H670-V674 VanDerWaalsContact O-CG2 3.29Å; H670-V674 WeakPolarHBondContact O-CG2 3.31Å; H670-V674 PolarHBondContact O-N 3.14Å; I671-V674 PolarHBondContact O-N 3.26Å; L672-V674 VanDerWaalsContact C-N 3.31Å; L672-V674 PolarHBondContact O-N 2.66Å; V674-S677 PolarHBondContact O-N 3.06Å; V674-R678 HydrophobicContact CG1-CG 4.28Å; V674-R678 VanDerWaalsContact O-CB 3.27Å; V674-R678 WeakPolarHBondContact O-CB 3.31Å; V674-R678 VanDerWaalsContact O-CG 3.31Å; V674-R678 WeakPolarHBondContact O-CG 3.31Å; V674-R678 PolarHBondContact O-N 2.71Å
675M86.3Confident81.1Confident44 Ų4457.6 Ų57.622%0.21729%0.294CS..Hα-helixtrans-61.9-52178.9-175.4-178.2-76.700111.8A620 L621 A624 F625 I671 L672 S677 R678 L679A620-M675 HydrophobicContact CB-SD 4.33Å; L621-M675 HydrophobicContact CD2-SD 3.99Å; A624-M675 HydrophobicContact CB-CE 3.42Å; A624-M675 VanDerWaalsContact CB-CE 3.42Å; A624-M675 HydrophobicContact CB-SD 4.41Å; F625-M675 HydrophobicContact CE2-CE 4.23Å; F625-M675 HydrophobicContact CE2-SD 4.43Å; I671-M675 WeakPolarHBondContact O-CB 3.48Å; I671-M675 PolarHBondContact O-N 2.9Å; L672-M675 PolarHBondContact O-N 2.83Å; L672-M675 VanDerWaalsContact O-N 3.17Å; M675-S677 VanDerWaalsContact C-N 3.34Å; M675-S677 PolarHBondContact O-N 2.92Å; M675-R678 PolarHBondContact O-N 3.37Å; M675-L679 VanDerWaalsContact O-CB 3.26Å; M675-L679 WeakPolarHBondContact O-CB 3.31Å; M675-L679 PolarHBondContact O-N 2.76Å
676V87.2Confident79.9Confident0 Ų064.2 Ų64.20%033%0.326CS..Hα-helixtrans-57.9-46.5177.81710000110.6F613 L617 V653 L658 V660 L672 L679 N680F613-V676 HydrophobicContact CZ-CG1 4.04Å; L617-V676 HydrophobicContact CD1-CG2 3.95Å; V653-V676 HydrophobicContact CG1-CG1 4.3Å; V653-V676 HydrophobicContact CG1-CG2 3.74Å; V653-V676 HydrophobicContact CG2-CG2 4.37Å; L658-V676 HydrophobicContact CB-CG1 3.86Å; L658-V676 HydrophobicContact CD2-CG1 4Å; L658-V676 HydrophobicContact CG-CG1 4.45Å; V660-V676 HydrophobicContact CG2-CG2 4.12Å; L672-V676 WeakPolarHBondContact O-CB 3.35Å; L672-V676 VanDerWaalsContact O-CG2 3.24Å; L672-V676 WeakPolarHBondContact O-CG2 3.25Å; L672-V676 PolarHBondContact O-N 3.08Å; V676-L679 PolarHBondContact O-N 3.31Å; V676-N680 WeakPolarHBondContact O-CB 3.48Å; V676-N680 PolarHBondContact O-N 3.24Å
677S81Confident79.8Confident39 Ų3962.3 Ų62.327%0.27331%0.309SS..Hα-helixtrans-66.9-43.4-179.3-55.50000112.3Q673 V674 M675 N680 H681Q673-S677 PolarHBondContact NE2-OG 3.45Å; Q673-S677 VanDerWaalsContact O-CB 3.25Å; Q673-S677 WeakPolarHBondContact O-CB 3.5Å; Q673-S677 PolarHBondContact O-N 2.91Å; Q673-S677 PolarHBondContact O-OG 2.99Å; V674-S677 PolarHBondContact O-N 3.06Å; M675-S677 VanDerWaalsContact C-N 3.34Å; M675-S677 PolarHBondContact O-N 2.92Å; S677-N680 PolarHBondContact O-N 2.8Å; S677-H681 WeakPolarHBondContact O-CB 3.48Å; S677-H681 PolarHBondContact O-N 3.44Å
678R79.4Confident79.8Confident125 Ų12554.8 Ų54.847%0.47228%0.284SS..Hα-helixtrans-65.7-42.1177.5-80.4-176.1174.4-178.61.6111.7L537 V674 M675 H681 C682L537-R678 PolarHBondContact O-NH2 3.12Å; V674-R678 HydrophobicContact CG1-CG 4.28Å; V674-R678 VanDerWaalsContact O-CB 3.27Å; V674-R678 WeakPolarHBondContact O-CB 3.31Å; V674-R678 VanDerWaalsContact O-CG 3.31Å; V674-R678 WeakPolarHBondContact O-CG 3.31Å; V674-R678 PolarHBondContact O-N 2.71Å; M675-R678 PolarHBondContact O-N 3.37Å; R678-H681 PolarHBondContact O-N 2.97Å; R678-C682 WeakPolarHBondContact O-CB 3.46Å; R678-C682 PolarHBondContact O-N 3.18Å; R678-C682 PolarHBondContact O-SG 3.26Å
679L84.9Confident79.4Confident31 Ų3157.4 Ų57.416%0.16230%0.298CS..Hα-helixtrans-61.8-47.8177.5-175.469000110.8F613 A616 L617 M675 V676 H681 C682 I683F613-L679 HydrophobicContact CD2-CD2 4.3Å; F613-L679 HydrophobicContact CD2-CG 4.35Å; F613-L679 HydrophobicContact CE2-CB 4.2Å; F613-L679 HydrophobicContact CE2-CD2 3.91Å; F613-L679 HydrophobicContact CE2-CG 4.05Å; F613-L679 HydrophobicContact CZ-CD2 4.47Å; A616-L679 HydrophobicContact CB-CD1 3.9Å; A616-L679 HydrophobicContact CB-CD2 4.19Å; A616-L679 HydrophobicContact CB-CG 4.37Å; L617-L679 HydrophobicContact CB-CD2 3.67Å; L617-L679 HydrophobicContact CD1-CD2 3.96Å; L617-L679 HydrophobicContact CG-CD2 4.44Å; M675-L679 VanDerWaalsContact O-CB 3.26Å; M675-L679 WeakPolarHBondContact O-CB 3.31Å; M675-L679 PolarHBondContact O-N 2.76Å; V676-L679 PolarHBondContact O-N 3.31Å; L679-H681 VanDerWaalsContact C-N 3.29Å; L679-H681 PolarHBondContact O-N 3.27Å; L679-C682 PolarHBondContact O-N 2.88Å; L679-I683 HydrophobicContact CD1-CD1 4.27Å; L679-I683 HydrophobicContact CG-CD1 4.1Å; L679-I683 WeakPolarHBondContact O-CG1 3.45Å; L679-I683 PolarHBondContact O-N 3.02Å
680N82Confident79Confident42 Ų4256.4 Ų56.423%0.22530%0.295CS..Hα-helixtrans-58-45.2176.8-173.364.9000110.7P608 F613 L658 V676 S677 I683 S684P608-N680 WeakPolarHBondContact CG-OD1 3.49Å; F613-N680 HydrophobicContact CD2-CB 4.13Å; F613-N680 HydrophobicContact CE2-CB 3.63Å; F613-N680 HydrophobicContact CZ-CB 4.42Å; L658-N680 HydrophobicContact CD1-CB 3.79Å; L658-N680 WeakPolarHBondContact CD1-ND2 3.29Å; V676-N680 WeakPolarHBondContact O-CB 3.48Å; V676-N680 PolarHBondContact O-N 3.24Å; S677-N680 PolarHBondContact O-N 2.8Å; N680-I683 PolarHBondContact O-N 2.94Å; N680-S684 WeakPolarHBondContact O-CB 3.34Å; N680-S684 PolarHBondContact O-N 3.07Å; N680-S684 PolarHBondContact O-OG 3.33Å
681H70.4Confident78.9Confident46 Ų4652.8 Ų52.821%0.21328%0.28CS..Hα-helixtrans-64.1-41.3177.5-168.877.4000113.1L536 S677 R678 L679 S684 A685L536-H681 VanDerWaalsContact CD2-NE2 3.25Å; L536-H681 WeakPolarHBondContact CD2-NE2 3.41Å; S677-H681 WeakPolarHBondContact O-CB 3.48Å; S677-H681 PolarHBondContact O-N 3.44Å; R678-H681 PolarHBondContact O-N 2.97Å; L679-H681 VanDerWaalsContact C-N 3.29Å; L679-H681 PolarHBondContact O-N 3.27Å; H681-S684 PolarHBondContact O-N 3.4Å; H681-A685 VanDerWaalsContact O-CB 3.23Å; H681-A685 WeakPolarHBondContact O-CB 3.49Å; H681-A685 PolarHBondContact O-N 3.12Å
682C76.3Confident78.5Confident68 Ų6850.4 Ų50.446%0.45927%0.269SS..Hα-helixtrans-63.2-42.6178.4-70.20000111.3R678 L679 A685 M686R678-C682 WeakPolarHBondContact O-CB 3.46Å; R678-C682 PolarHBondContact O-N 3.18Å; R678-C682 PolarHBondContact O-SG 3.26Å; L679-C682 PolarHBondContact O-N 2.88Å; C682-A685 PolarHBondContact O-N 3.2Å; C682-M686 WeakPolarHBondContact O-CG 3.36Å; C682-M686 PolarHBondContact O-N 3.12Å
683I78.8Confident77.8Confident16 Ų1654 Ų548%0.08229%0.288CS..Hα-helixtrans-72.1-36.3179.2-58172.5000110.7P608 Q612 F613 A616 L679 N680 A685 M686P608-I683 HydrophobicContact CB-CB 3.87Å; P608-I683 HydrophobicContact CB-CG2 3.39Å; Q612-I683 HydrophobicContact CB-CG2 4.44Å; F613-I683 HydrophobicContact CB-CD1 4.25Å; F613-I683 HydrophobicContact CD2-CD1 4.03Å; A616-I683 HydrophobicContact CB-CD1 3.73Å; L679-I683 HydrophobicContact CD1-CD1 4.27Å; L679-I683 HydrophobicContact CG-CD1 4.1Å; L679-I683 WeakPolarHBondContact O-CG1 3.45Å; L679-I683 PolarHBondContact O-N 3.02Å; N680-I683 PolarHBondContact O-N 2.94Å; I683-A685 VanDerWaalsContact C-N 3.25Å; I683-A685 PolarHBondContact O-N 3.14Å; I683-M686 PolarHBondContact O-N 3.42Å
684S70Confident77Confident10 Ų1053.7 Ų53.77%0.0729%0.289CS..Hα-helixtrans-67.6-23.4173.2-73.10000114.5L605 I606 P608 N680 H681L605-S684 WeakPolarHBondContact CA-O 3.48Å; I606-S684 PolarHBondContact N-O 2.71Å; I606-S684 VanDerWaalsContact O-CA 3.29Å; I606-S684 WeakPolarHBondContact O-CA 3.14Å; I606-S684 VanDerWaalsContact O-CB 3.26Å; I606-S684 WeakPolarHBondContact O-CB 3.49Å; I606-S684 PolarHBondContact O-OG 2.73Å; P608-S684 VanDerWaalsContact CD-OG 3.29Å; P608-S684 WeakPolarHBondContact CD-OG 3.16Å; N680-S684 WeakPolarHBondContact O-CB 3.34Å; N680-S684 PolarHBondContact O-N 3.07Å; N680-S684 PolarHBondContact O-OG 3.33Å; H681-S684 PolarHBondContact O-N 3.4Å
685A63.6Low76.7Confident52 Ų5254.8 Ų54.843%0.4329%0.292SS..Hα-helixtrans-92.6-11.7179.700000113.7L605 H681 C682 I683L605-A685 HydrophobicContact CD2-CB 4.07Å; H681-A685 VanDerWaalsContact O-CB 3.23Å; H681-A685 WeakPolarHBondContact O-CB 3.49Å; H681-A685 PolarHBondContact O-N 3.12Å; C682-A685 PolarHBondContact O-N 3.2Å; I683-A685 VanDerWaalsContact C-N 3.25Å; I683-A685 PolarHBondContact O-N 3.14Å
686M60.6Low75.8Confident184 Ų18455.7 Ų55.791%0.90630%0.299SS*.  trans-75.70166.7-71.3-177.1-142.400110.2C682 I683C682-M686 WeakPolarHBondContact O-CG 3.36Å; C682-M686 PolarHBondContact O-N 3.12Å; I683-M686 PolarHBondContact O-N 3.42Å

Retrieved 686 of 686 residues in 1510.6 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).