A0A096MSB9_PAPAN Loading...

FERM domain-containing protein

AlphaFold DB (P26038), UniProt , Accession A0A096MSB9, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 577 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
1M54.8Low88.4Confident231 Ų23173.2 Ų73.2100%1.13838%0.378SS*.  01560-56.2179.6-168.100108.5
2P64.1Low89Confident86 Ų8669.8 Ų69.856%0.55836%0.36SS*.PPolyproline II helixtrans-59.3151.3164.9-15.629.7000110T4P2-T4 PolarHBondContact O-N 3.19Å
3K82.4Confident89.4Confident192 Ų19270 Ų7084%0.83536%0.362SS*.PPolyproline II helixtrans-71.6122.3168.7-70.1-172.6177.1-1750108.5P22K3-P22 WeakPolarHBondContact O-CG 3.25Å
4T91.7Very high89.8Confident79 Ų7967.9 Ų67.949%0.48536%0.36SS..PPolyproline II helixtrans-67.7158.6168.742.90000110.6P2 A19 I20P2-T4 PolarHBondContact O-N 3.19Å; T4-A19 HydrophobicContact CG2-CB 4.4Å; T4-I20 CarbonylContact C-O 3.58Å; T4-I20 WeakPolarHBondContact CA-O 3.44Å
5I94.2Very high90.3Very high46 Ų4669.8 Ų69.824%0.23637%0.366CS..EExtended strand (participates in β ladder)trans-115.2124.5177.8-57.6174.2000107.1A19 I20 P22 T66 L76I5-A19 WeakPolarHBondContact O-CA 3.46Å; I5-I20 HydrophobicContact CB-CG1 3.98Å; I5-I20 PolarHBondContact N-O 2.59Å; I5-I20 PolarHBondContact O-N 3.35Å; I5-P22 HydrophobicContact CD1-CB 4.31Å; I5-P22 HydrophobicContact CD1-CG 4.27Å; I5-T66 HydrophobicContact CD1-CG2 3.37Å; I5-L76 HydrophobicContact CG2-CD1 3.66Å; I5-L76 HydrophobicContact CG2-CG 4Å
6S95.6Very high90.7Very high45 Ų4567.3 Ų67.332%0.31535%0.353SS..EExtended strand (participates in β ladder)trans-73.7137.7176.1-169.20000110.4P75 L76S6-P75 CarbonylContact O-C 3.55Å; S6-P75 WeakPolarHBondContact O-CA 3.42Å; S6-L76 PolarHBondContact O-N 3.28Å
7V97.6Very high91.1Very high0 Ų070.1 Ų70.10%036%0.364CS..EExtended strand (participates in β ladder)trans-136.5137.8-175.7179.90000108.4V9 E17 F18 I20 L29 L76 F78V7-V9 HydrophobicContact CG1-CG2 4.15Å; V7-E17 WeakPolarHBondContact O-CA 3.46Å; V7-F18 HydrophobicContact CB-CB 4.41Å; V7-F18 PolarHBondContact N-O 2.87Å; V7-F18 PolarHBondContact O-N 3.27Å; V7-I20 HydrophobicContact CG2-CB 4.36Å; V7-I20 HydrophobicContact CG2-CD1 3.74Å; V7-I20 HydrophobicContact CG2-CG1 3.67Å; V7-I20 HydrophobicContact CG2-CG2 3.91Å; V7-L29 HydrophobicContact CG1-CD1 4.01Å; V7-L29 HydrophobicContact CG1-CD2 4.09Å; V7-L76 HydrophobicContact CG2-CB 4.34Å; V7-L76 HydrophobicContact CG2-CD1 4.34Å; V7-F78 HydrophobicContact CG1-CD2 3.61Å; V7-F78 HydrophobicContact CG1-CE2 3.76Å
8R98.3Very high91.4Very high78 Ų7867.4 Ų67.429%0.29435%0.349SS..EExtended strand (participates in β ladder)trans-125.4129.5177.9177.5179.3-77-153.19.8109.3E15 L16 E17 P75 L76 L77 F78R8-E15 VanDerWaalsContact CD-CD 3.4Å; R8-E15 VanDerWaalsContact CD-OE1 3.27Å; R8-E15 WeakPolarHBondContact CD-OE1 2.99Å; R8-E15 HydrophobicContact CG-CG 3.69Å; R8-E15 IonicContact CZ-OE1 2.71Å; R8-E15 VanDerWaalsContact CZ-OE1 3.26Å; R8-E15 IonicContact NE-OE1 2.81Å; R8-E15 PolarHBondContact NE-OE1 2.8Å; R8-E15 IonicContact NH1-OE1 2.79Å; R8-E15 PolarHBondContact NH1-OE1 2.81Å; R8-L16 CarbonylContact C-O 3.59Å; R8-L16 WeakPolarHBondContact CA-O 3.36Å; R8-E17 IonicContact CZ-OE1 3.06Å; R8-E17 IonicContact NE-OE1 2.63Å; R8-E17 PolarHBondContact NE-OE1 3.32Å; R8-E17 IonicContact NH2-OE1 2.66Å; R8-E17 PolarHBondContact NH2-OE1 3.33Å; R8-P75 HydrophobicContact CB-CB 3.76Å; R8-P75 HydrophobicContact CB-CG 3.72Å; R8-L76 PolarHBondContact N-O 2.88Å; R8-L77 HydrophobicContact CB-CD2 4.04Å; R8-L77 HydrophobicContact CG-CD2 4.36Å; R8-F78 PolarHBondContact O-N 3.35Å
9V98.5Very high91.6Very high0 Ų067.2 Ų67.20%036%0.358CS..EExtended strand (participates in β ladder)trans-123.6107.9-176.5-175.50000108.8V7 L16 F18 V33 L47 F78 F80V7-V9 HydrophobicContact CG1-CG2 4.15Å; V9-L16 HydrophobicContact CB-CB 4.48Å; V9-L16 PolarHBondContact N-O 2.88Å; V9-L16 PolarHBondContact O-N 2.68Å; V9-F18 HydrophobicContact CB-CE2 4.15Å; V9-F18 HydrophobicContact CG2-CD2 3.91Å; V9-F18 HydrophobicContact CG2-CE2 3.88Å; V9-V33 HydrophobicContact CB-CG2 4.2Å; V9-V33 HydrophobicContact CG1-CG1 4.17Å; V9-V33 HydrophobicContact CG1-CG2 3.96Å; V9-V33 HydrophobicContact CG2-CG2 3.82Å; V9-L47 HydrophobicContact CG1-CD2 3.52Å; V9-L47 HydrophobicContact CG2-CD2 4.42Å; V9-F78 WeakPolarHBondContact CA-O 3.34Å; V9-F78 HydrophobicContact CG2-CB 4.29Å; V9-F80 HydrophobicContact CG1-CB 4.03Å
10T98.3Very high91.8Very high47 Ų4764 Ų6429%0.28834%0.341SS..EExtended strand (participates in β ladder)trans-87.4120.2174.4-39.40000109.1E15 F78 K79 F80T10-E15 PolarHBondContact OG1-OE2 2.87Å; T10-F78 PolarHBondContact N-O 2.84Å; T10-K79 CarbonylContact O-C 3.57Å; T10-K79 VanDerWaalsContact O-CA 3.29Å; T10-K79 WeakPolarHBondContact O-CA 3.38Å; T10-F80 PolarHBondContact O-N 3.05Å
11T97.1Very high91.9Very high1 Ų164.3 Ų64.31%0.00634%0.341CS..  trans-81.8-150.1173.668.50000109.8D13 A14 L16 I37 F80 R81T11-D13 PolarHBondContact OG1-N 2.64Å; T11-D13 VanDerWaalsContact OG1-N 3.15Å; T11-D13 PolarHBondContact OG1-OD1 2.86Å; T11-A14 PolarHBondContact N-O 3.23Å; T11-A14 PolarHBondContact OG1-N 3.07Å; T11-A14 PolarHBondContact OG1-O 3.13Å; T11-A14 VanDerWaalsContact OG1-O 3.13Å; T11-L16 HydrophobicContact CG2-CD1 4.11Å; T11-I37 HydrophobicContact CG2-CG2 4.46Å; T11-F80 HydrophobicContact CG2-CB 4.21Å; T11-R81 PolarHBondContact O-NH1 3Å
12M95.8Very high93.7Very high33 Ų3356.1 Ų56.116%0.16330%0.304CS..SBendtrans-85.8-15166.9-68.7-53.6-43.600113.4R81 L101 L104 Q105 E108M12-R81 VanDerWaalsContact SD-CD 3.55Å; M12-R81 PolarHBondContact SD-NE 2.85Å; M12-R81 PolarHBondContact SD-NH2 3.04Å; M12-R81 VanDerWaalsContact SD-NH2 3.42Å; M12-L101 HydrophobicContact CB-CD2 4.02Å; M12-L101 HydrophobicContact CG-CD2 4.23Å; M12-L104 HydrophobicContact CB-CB 3.61Å; M12-L104 HydrophobicContact CB-CD1 3.83Å; M12-L104 HydrophobicContact CB-CG 4.39Å; M12-L104 HydrophobicContact CE-CB 4.06Å; M12-L104 WeakPolarHBondContact CE-O 3.4Å; M12-L104 HydrophobicContact CG-CB 4.03Å; M12-Q105 HydrophobicContact CE-CB 4.35Å; M12-Q105 HydrophobicContact CG-CB 4.21Å; M12-Q105 HydrophobicContact SD-CB 3.75Å; M12-Q105 HydrophobicContact SD-CG 4.3Å; M12-E108 HydrophobicContact CE-CB 4.01Å; M12-E108 HydrophobicContact CE-CG 4.5Å; M12-E108 WeakPolarHBondContact CE-OE1 3.47Å
13D93.7Very high95.1Very high72 Ų7256.7 Ų56.739%0.38530%0.303SS..SBendtrans-144.4-14.3-162.166-44.2000114.9T11 R100 L104T11-D13 PolarHBondContact OG1-N 2.64Å; T11-D13 VanDerWaalsContact OG1-N 3.15Å; T11-D13 PolarHBondContact OG1-OD1 2.86Å; D13-R100 IonicContact OD2-CZ 3.41Å; D13-R100 IonicContact OD2-NH1 2.78Å; D13-R100 PolarHBondContact OD2-NH1 2.86Å; D13-R100 IonicContact OD2-NH2 2.66Å; D13-R100 PolarHBondContact OD2-NH2 2.73Å; D13-L104 HydrophobicContact CB-CD1 3.79Å
14A95.3Very high95.7Very high41 Ų4148.3 Ų48.334%0.33927%0.268SS..  trans-140.9163-17800000111.1T11T11-A14 PolarHBondContact N-O 3.23Å; T11-A14 PolarHBondContact OG1-N 3.07Å; T11-A14 PolarHBondContact OG1-O 3.13Å; T11-A14 VanDerWaalsContact OG1-O 3.13Å
15E97Very high96Very high96 Ų9646.3 Ų46.345%0.44926%0.256SS..EExtended strand (participates in β ladder)trans-122.8126.5169.5-177.7151.2102.900108.9R8 T10R8-E15 VanDerWaalsContact CD-CD 3.4Å; R8-E15 VanDerWaalsContact CD-OE1 3.27Å; R8-E15 WeakPolarHBondContact CD-OE1 2.99Å; R8-E15 HydrophobicContact CG-CG 3.69Å; R8-E15 IonicContact CZ-OE1 2.71Å; R8-E15 VanDerWaalsContact CZ-OE1 3.26Å; R8-E15 IonicContact NE-OE1 2.81Å; R8-E15 PolarHBondContact NE-OE1 2.8Å; R8-E15 IonicContact NH1-OE1 2.79Å; R8-E15 PolarHBondContact NH1-OE1 2.81Å; T10-E15 PolarHBondContact OG1-OE2 2.87Å
16L97.5Very high96.1Very high30 Ų3044.1 Ų44.116%0.15724%0.244CC..EExtended strand (participates in β ladder)trans-116.4136-173.3-53.8175000109.6R8 V9 T11 F18 V33 T36 I37R8-L16 CarbonylContact C-O 3.59Å; R8-L16 WeakPolarHBondContact CA-O 3.36Å; V9-L16 HydrophobicContact CB-CB 4.48Å; V9-L16 PolarHBondContact N-O 2.88Å; V9-L16 PolarHBondContact O-N 2.68Å; T11-L16 HydrophobicContact CG2-CD1 4.11Å; L16-F18 HydrophobicContact CB-CD2 4.42Å; L16-F18 HydrophobicContact CB-CE2 3.51Å; L16-F18 HydrophobicContact CB-CZ 3.76Å; L16-F18 HydrophobicContact CD1-CE2 4.26Å; L16-F18 HydrophobicContact CD1-CZ 4.03Å; L16-V33 HydrophobicContact CD1-CG1 4.49Å; L16-T36 HydrophobicContact CD1-CG2 4.06Å; L16-T36 HydrophobicContact CD2-CG2 4.11Å; L16-I37 HydrophobicContact CD1-CG2 3.75Å
17E97Very high96.2Very high114 Ų11444.1 Ų44.153%0.53324%0.239SC..EExtended strand (participates in β ladder)trans-114.8136.3176.3-61.3-153.913000111.8V7 R8V7-E17 WeakPolarHBondContact O-CA 3.46Å; R8-E17 IonicContact CZ-OE1 3.06Å; R8-E17 IonicContact NE-OE1 2.63Å; R8-E17 PolarHBondContact NE-OE1 3.32Å; R8-E17 IonicContact NH2-OE1 2.66Å; R8-E17 PolarHBondContact NH2-OE1 3.33Å
18F96.3Very high96.2Very high22 Ų2249 Ų4910%0.09626%0.261CS..EExtended strand (participates in β ladder)trans-137153.6-175.6-56.4-77.2000111.1V7 V9 L16 Q32 V33 T36V7-F18 HydrophobicContact CB-CB 4.41Å; V7-F18 PolarHBondContact N-O 2.87Å; V7-F18 PolarHBondContact O-N 3.27Å; V9-F18 HydrophobicContact CB-CE2 4.15Å; V9-F18 HydrophobicContact CG2-CD2 3.91Å; V9-F18 HydrophobicContact CG2-CE2 3.88Å; L16-F18 HydrophobicContact CB-CD2 4.42Å; L16-F18 HydrophobicContact CB-CE2 3.51Å; L16-F18 HydrophobicContact CB-CZ 3.76Å; L16-F18 HydrophobicContact CD1-CE2 4.26Å; L16-F18 HydrophobicContact CD1-CZ 4.03Å; F18-Q32 HydrophobicContact CD1-CG 3.83Å; F18-Q32 HydrophobicContact CE1-CG 3.8Å; F18-V33 HydrophobicContact CD2-CG2 4.42Å; F18-V33 HydrophobicContact CE2-CG2 3.65Å; F18-V33 HydrophobicContact CZ-CG2 4.02Å; F18-T36 HydrophobicContact CE1-CG2 4.36Å; F18-T36 HydrophobicContact CZ-CG2 4.21Å
19A95.4Very high96.2Very high64 Ų6445.2 Ų45.253%0.52925%0.247SC..EExtended strand (participates in β ladder)trans-116.5101.2173.900000110T4 I5T4-A19 HydrophobicContact CG2-CB 4.4Å; I5-A19 WeakPolarHBondContact O-CA 3.46Å
20I95.3Very high96.2Very high3 Ų345.4 Ų45.42%0.01525%0.248CC..EExtended strand (participates in β ladder)trans-90.4160.5-178.571.7171.8000112.2T4 I5 V7 T24 L29 V65T4-I20 CarbonylContact C-O 3.58Å; T4-I20 WeakPolarHBondContact CA-O 3.44Å; I5-I20 HydrophobicContact CB-CG1 3.98Å; I5-I20 PolarHBondContact N-O 2.59Å; I5-I20 PolarHBondContact O-N 3.35Å; V7-I20 HydrophobicContact CG2-CB 4.36Å; V7-I20 HydrophobicContact CG2-CD1 3.74Å; V7-I20 HydrophobicContact CG2-CG1 3.67Å; V7-I20 HydrophobicContact CG2-CG2 3.91Å; I20-T24 HydrophobicContact CB-CG2 4.05Å; I20-T24 HydrophobicContact CG2-CG2 4.16Å; I20-L29 HydrophobicContact CG2-CD1 4.05Å; I20-V65 HydrophobicContact CD1-CB 3.89Å; I20-V65 HydrophobicContact CD1-CG1 4.07Å; I20-V65 HydrophobicContact CD1-CG2 4.1Å
21Q94.6Very high96.2Very high71 Ų7145.6 Ų45.633%0.33225%0.247SC..  trans-87.2153.5170.8-66.4-66.2-22.400110.4N23 T24Q21-N23 WeakPolarHBondContact CB-OD1 3.32Å; Q21-N23 PolarHBondContact O-N 3.38Å; Q21-T24 PolarHBondContact N-OG1 3.4Å; Q21-T24 VanDerWaalsContact N-OG1 3.09Å; Q21-T24 VanDerWaalsContact O-CB 3.31Å; Q21-T24 WeakPolarHBondContact O-CB 3.33Å; Q21-T24 PolarHBondContact O-N 3.18Å; Q21-T24 PolarHBondContact O-OG1 2.76Å; Q21-T24 VanDerWaalsContact O-OG1 3.08Å
22P91.6Very high96.2Very high58 Ų5849.4 Ų49.438%0.37727%0.265SS..THydrogen-bonded Turntrans-60.4-15.7-179.3-26.435.6000115.5K3 I5 T66K3-P22 WeakPolarHBondContact O-CG 3.25Å; I5-P22 HydrophobicContact CD1-CB 4.31Å; I5-P22 HydrophobicContact CD1-CG 4.27Å; P22-T66 PolarHBondContact O-OG1 3.44Å
23N93.6Very high96.3Very high98 Ų9847.8 Ų47.852%0.52426%0.257SS..THydrogen-bonded Turntrans-96.8-5.5176.465.2-30.1000114.6Q21 T25Q21-N23 WeakPolarHBondContact CB-OD1 3.32Å; Q21-N23 PolarHBondContact O-N 3.38Å; N23-T25 PolarHBondContact O-N 2.85Å
24T96.4Very high96.5Very high16 Ų1645 Ų4510%0.09824%0.242CC..  trans-58.5130.7-176.4-63.40000112I20 Q21 Q28 K64 V65I20-T24 HydrophobicContact CB-CG2 4.05Å; I20-T24 HydrophobicContact CG2-CG2 4.16Å; Q21-T24 PolarHBondContact N-OG1 3.4Å; Q21-T24 VanDerWaalsContact N-OG1 3.09Å; Q21-T24 VanDerWaalsContact O-CB 3.31Å; Q21-T24 WeakPolarHBondContact O-CB 3.33Å; Q21-T24 PolarHBondContact O-N 3.18Å; Q21-T24 PolarHBondContact O-OG1 2.76Å; Q21-T24 VanDerWaalsContact O-OG1 3.08Å; T24-Q28 HydrophobicContact CG2-CB 3.76Å; T24-K64 VanDerWaalsContact O-CA 3.31Å; T24-K64 WeakPolarHBondContact O-CA 3.27Å; T24-V65 PolarHBondContact O-N 3.39Å
25T97.1Very high96.5Very high38 Ų3851.8 Ų51.823%0.23326%0.264CS..BIsolated β-bridgetrans-78.2159175.667.30000111.6N23 K27 Q28 L29 L61N23-T25 PolarHBondContact O-N 2.85Å; T25-K27 PolarHBondContact O-N 2.85Å; T25-Q28 PolarHBondContact O-N 2.98Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.44Å; T25-Q28 PolarHBondContact OG1-N 3Å; T25-Q28 VanDerWaalsContact OG1-N 3.1Å; T25-Q28 PolarHBondContact OG1-OE1 3Å; T25-L29 PolarHBondContact O-N 2.92Å; T25-L29 VanDerWaalsContact O-N 3.11Å; T25-L61 WeakPolarHBondContact CB-O 3.34Å
26G96.6Very high96.6Very high0 Ų051 Ų510%027%0.266CS..Hα-helixtrans-59.7-30.8171.400000112.1L29 F30 L61 K63G26-L29 PolarHBondContact O-N 2.97Å; G26-F30 VanDerWaalsContact O-CB 3.27Å; G26-F30 WeakPolarHBondContact O-CB 3.31Å; G26-F30 PolarHBondContact O-N 3.2Å; G26-L61 CarbonylContact C-O 3.51Å; G26-L61 PolarHBondContact N-O 3.39Å; G26-L61 VanDerWaalsContact N-O 3.11Å; G26-L61 WeakPolarHBondContact O-CD2 3.47Å; G26-K63 PolarHBondContact N-O 2.81Å
27K97.3Very high96.5Very high45 Ų4551.3 Ų51.320%0.19627%0.268CS..Hα-helixtrans-61.3-55.2173.8-157.9-146.6-179.4-46.10109.9T25 L29 F30 D31 L61 D484T25-K27 PolarHBondContact O-N 2.85Å; K27-L29 VanDerWaalsContact C-N 3.27Å; K27-L29 PolarHBondContact O-N 2.9Å; K27-F30 CarbonylContact O-C 3.5Å; K27-F30 WeakPolarHBondContact O-CA 3.41Å; K27-F30 WeakPolarHBondContact O-CB 3.49Å; K27-F30 PolarHBondContact O-N 2.84Å; K27-D31 WeakPolarHBondContact CD-OD2 3.43Å; K27-D31 WeakPolarHBondContact CG-OD2 3.43Å; K27-D31 IonicContact NZ-OD1 3.02Å; K27-D31 PolarHBondContact NZ-OD1 3.23Å; K27-D31 IonicContact NZ-OD2 3.73Å; K27-D31 PolarHBondContact NZ-OD2 2.84Å; K27-D31 WeakPolarHBondContact O-CB 3.48Å; K27-D31 PolarHBondContact O-N 3.3Å; K27-L61 HydrophobicContact CB-CB 3.84Å; K27-L61 HydrophobicContact CG-CB 4.28Å; K27-L61 PolarHBondContact N-O 2.85Å; K27-D484 WeakPolarHBondContact CE-OD2 3.37Å; K27-D484 VanDerWaalsContact CG-OD2 3.28Å; K27-D484 WeakPolarHBondContact CG-OD2 3.24Å; K27-D484 IonicContact NZ-OD2 2.68Å; K27-D484 PolarHBondContact NZ-OD2 2.93Å
28Q97.9Very high96.4Very high101 Ų10148.1 Ų48.147%0.47227%0.265SS..Hα-helixtrans-58.5-35.1179.1-72.8170.2-34.300113.5T24 T25 Q32T24-Q28 HydrophobicContact CG2-CB 3.76Å; T25-Q28 PolarHBondContact O-N 2.98Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.44Å; T25-Q28 PolarHBondContact OG1-N 3Å; T25-Q28 VanDerWaalsContact OG1-N 3.1Å; T25-Q28 PolarHBondContact OG1-OE1 3Å; Q28-Q32 VanDerWaalsContact O-CB 3.26Å; Q28-Q32 WeakPolarHBondContact O-CB 3.28Å; Q28-Q32 PolarHBondContact O-N 2.85Å; Q28-Q32 VanDerWaalsContact O-N 3.12Å
29L98.1Very high96.5Very high0 Ų047.2 Ų47.20%026%0.261CS..Hα-helixtrans-71.2-39.7172.7175.659.8000112.1V7 I20 T25 G26 K27 Q32 V33 L47 L59 V65 F78V7-L29 HydrophobicContact CG1-CD1 4.01Å; V7-L29 HydrophobicContact CG1-CD2 4.09Å; I20-L29 HydrophobicContact CG2-CD1 4.05Å; T25-L29 PolarHBondContact O-N 2.92Å; T25-L29 VanDerWaalsContact O-N 3.11Å; G26-L29 PolarHBondContact O-N 2.97Å; K27-L29 VanDerWaalsContact C-N 3.27Å; K27-L29 PolarHBondContact O-N 2.9Å; L29-Q32 PolarHBondContact O-N 3.37Å; L29-V33 HydrophobicContact CD1-CG2 4.47Å; L29-V33 VanDerWaalsContact O-CG2 3.28Å; L29-V33 WeakPolarHBondContact O-CG2 3.43Å; L29-V33 PolarHBondContact O-N 3.04Å; L29-L47 HydrophobicContact CD2-CD1 4.1Å; L29-L47 HydrophobicContact CG-CD1 3.85Å; L29-L59 HydrophobicContact CD2-CD2 4.19Å; L29-V65 HydrophobicContact CB-CG2 4.15Å; L29-V65 HydrophobicContact CD2-CG1 4.3Å; L29-V65 HydrophobicContact CD2-CG2 3.92Å; L29-F78 HydrophobicContact CD2-CD2 4.22Å; L29-F78 HydrophobicContact CD2-CE2 4.03Å; L29-F78 HydrophobicContact CD2-CZ 4.35Å
30F98.2Very high96.5Very high4 Ų445.4 Ų45.42%0.01824%0.241CC..Hα-helixtrans-66.9-49.9176.6-179.5-100.9000111.7G26 K27 Q32 V33 V34 V42 F45 L47 L61 F80G26-F30 VanDerWaalsContact O-CB 3.27Å; G26-F30 WeakPolarHBondContact O-CB 3.31Å; G26-F30 PolarHBondContact O-N 3.2Å; K27-F30 CarbonylContact O-C 3.5Å; K27-F30 WeakPolarHBondContact O-CA 3.41Å; K27-F30 WeakPolarHBondContact O-CB 3.49Å; K27-F30 PolarHBondContact O-N 2.84Å; F30-Q32 PolarHBondContact O-N 2.86Å; F30-V33 WeakPolarHBondContact O-CA 3.32Å; F30-V33 WeakPolarHBondContact O-CB 3.34Å; F30-V33 PolarHBondContact O-N 2.84Å; F30-V34 HydrophobicContact CD1-CG1 4.31Å; F30-V34 HydrophobicContact CD2-CG1 4.44Å; F30-V34 HydrophobicContact CE1-CG1 4.03Å; F30-V34 HydrophobicContact CE2-CG1 4.16Å; F30-V34 HydrophobicContact CZ-CG1 3.96Å; F30-V34 WeakPolarHBondContact O-CG2 3.15Å; F30-V34 PolarHBondContact O-N 2.83Å; F30-V42 HydrophobicContact CE1-CB 3.78Å; F30-V42 HydrophobicContact CE1-CG2 3.91Å; F30-V42 HydrophobicContact CZ-CB 3.88Å; F30-V42 HydrophobicContact CZ-CG2 4.41Å; F30-F45 HydrophobicContact CE2-CB 4.3Å; F30-F45 HydrophobicContact CZ-CB 4.39Å; F30-L47 HydrophobicContact CB-CD1 4.22Å; F30-L47 HydrophobicContact CD2-CD1 4.44Å; F30-L47 HydrophobicContact CD2-CG 4.27Å; F30-L61 HydrophobicContact CB-CD2 3.61Å; F30-L61 HydrophobicContact CD1-CD1 4.17Å; F30-L61 HydrophobicContact CD1-CD2 4.44Å; F30-L61 HydrophobicContact CD2-CD2 4.34Å; F30-L61 HydrophobicContact CG-CD1 4.43Å; F30-L61 HydrophobicContact CG-CD2 3.91Å; F30-F80 HydrophobicContact CD2-CE2 4.01Å; F30-F80 HydrophobicContact CE2-CD2 4.41Å; F30-F80 AromaticContact CE2-CE2 3.56Å; F30-F80 HydrophobicContact CE2-CE2 3.56Å; F30-F80 HydrophobicContact CE2-CZ 4.29Å; F30-F80 HydrophobicContact CZ-CE2 4.39Å
31D97.9Very high96.5Very high51 Ų5145.3 Ų45.327%0.27324%0.24SC..Hα-helixtrans-52.2-41.8173-60.5-16.4000111.2K27 V34 K35K27-D31 WeakPolarHBondContact CD-OD2 3.43Å; K27-D31 WeakPolarHBondContact CG-OD2 3.43Å; K27-D31 IonicContact NZ-OD1 3.02Å; K27-D31 PolarHBondContact NZ-OD1 3.23Å; K27-D31 IonicContact NZ-OD2 3.73Å; K27-D31 PolarHBondContact NZ-OD2 2.84Å; K27-D31 WeakPolarHBondContact O-CB 3.48Å; K27-D31 PolarHBondContact O-N 3.3Å; D31-V34 WeakPolarHBondContact O-CG2 3.35Å; D31-K35 WeakPolarHBondContact O-CB 3.19Å; D31-K35 PolarHBondContact O-N 3.09Å; D31-K35 VanDerWaalsContact O-N 3.13Å
32Q97.3Very high96.6Very high80 Ų8042.1 Ų42.137%0.37423%0.226SC..Hα-helixtrans-66.8-42.3175.2-175.1170.214.700112.3F18 Q28 L29 F30 T36F18-Q32 HydrophobicContact CD1-CG 3.83Å; F18-Q32 HydrophobicContact CE1-CG 3.8Å; Q28-Q32 VanDerWaalsContact O-CB 3.26Å; Q28-Q32 WeakPolarHBondContact O-CB 3.28Å; Q28-Q32 PolarHBondContact O-N 2.85Å; Q28-Q32 VanDerWaalsContact O-N 3.12Å; L29-Q32 PolarHBondContact O-N 3.37Å; F30-Q32 PolarHBondContact O-N 2.86Å; Q32-T36 WeakPolarHBondContact O-CB 3.42Å; Q32-T36 PolarHBondContact O-N 3.3Å; Q32-T36 VanDerWaalsContact O-N 3.08Å; Q32-T36 PolarHBondContact O-OG1 3.28Å; Q32-T36 VanDerWaalsContact O-OG1 3.12Å
33V98Very high96.7Very high0 Ų040.6 Ų40.60%021%0.212CC..Hα-helixtrans-64.4-51.6177.5170.20000111.4V9 L16 F18 L29 F30 K35 T36 I37 L47 F80V9-V33 HydrophobicContact CB-CG2 4.2Å; V9-V33 HydrophobicContact CG1-CG1 4.17Å; V9-V33 HydrophobicContact CG1-CG2 3.96Å; V9-V33 HydrophobicContact CG2-CG2 3.82Å; L16-V33 HydrophobicContact CD1-CG1 4.49Å; F18-V33 HydrophobicContact CD2-CG2 4.42Å; F18-V33 HydrophobicContact CE2-CG2 3.65Å; F18-V33 HydrophobicContact CZ-CG2 4.02Å; L29-V33 HydrophobicContact CD1-CG2 4.47Å; L29-V33 VanDerWaalsContact O-CG2 3.28Å; L29-V33 WeakPolarHBondContact O-CG2 3.43Å; L29-V33 PolarHBondContact O-N 3.04Å; F30-V33 WeakPolarHBondContact O-CA 3.32Å; F30-V33 WeakPolarHBondContact O-CB 3.34Å; F30-V33 PolarHBondContact O-N 2.84Å; V33-K35 VanDerWaalsContact C-N 3.32Å; V33-K35 PolarHBondContact O-N 3.09Å; V33-T36 PolarHBondContact O-N 3.39Å; V33-T36 VanDerWaalsContact O-N 3.09Å; V33-I37 PolarHBondContact O-N 2.72Å; V33-I37 VanDerWaalsContact O-N 3.16Å; V33-L47 HydrophobicContact CG2-CD2 4.45Å; V33-F80 HydrophobicContact CG1-CD2 3.59Å; V33-F80 HydrophobicContact CG1-CE2 3.99Å; V33-F80 HydrophobicContact CG1-CG 4.16Å
34V97.6Very high96.8Very high13 Ų1336 Ų368%0.07919%0.188CC..Hα-helixtrans-63.5-39.3-176.5-59.40000111.4F30 D31 T36 I37 G38 L39 V42 F80F30-V34 HydrophobicContact CD1-CG1 4.31Å; F30-V34 HydrophobicContact CD2-CG1 4.44Å; F30-V34 HydrophobicContact CE1-CG1 4.03Å; F30-V34 HydrophobicContact CE2-CG1 4.16Å; F30-V34 HydrophobicContact CZ-CG1 3.96Å; F30-V34 WeakPolarHBondContact O-CG2 3.15Å; F30-V34 PolarHBondContact O-N 2.83Å; D31-V34 WeakPolarHBondContact O-CG2 3.35Å; V34-T36 PolarHBondContact O-N 3.06Å; V34-I37 WeakPolarHBondContact O-CG1 3.4Å; V34-I37 PolarHBondContact O-N 2.74Å; V34-G38 PolarHBondContact O-N 3.03Å; V34-L39 HydrophobicContact CB-CB 4.35Å; V34-L39 HydrophobicContact CG1-CD2 4.21Å; V34-L39 PolarHBondContact O-N 3.37Å; V34-V42 HydrophobicContact CB-CG1 3.67Å; V34-V42 HydrophobicContact CG1-CB 4.13Å; V34-V42 HydrophobicContact CG1-CG1 3.67Å; V34-V42 HydrophobicContact CG2-CG1 3.85Å; V34-F80 HydrophobicContact CG1-CE2 3.78Å; V34-F80 HydrophobicContact CG1-CZ 3.92Å
35K97Very high96.9Very high184 Ų18435.7 Ų35.780%0.819%0.185SC*.Hα-helixtrans-64.9-34172.9-175.8162.6-173.3151.80113.4D31 V33 I37D31-K35 WeakPolarHBondContact O-CB 3.19Å; D31-K35 PolarHBondContact O-N 3.09Å; D31-K35 VanDerWaalsContact O-N 3.13Å; V33-K35 VanDerWaalsContact C-N 3.32Å; V33-K35 PolarHBondContact O-N 3.09Å; K35-I37 VanDerWaalsContact C-N 3.34Å
36T97.5Very high96.9Very high78 Ų7834.2 Ų34.248%0.47918%0.177SC..Hα-helixtrans-71.3-26.7175.3-71.70000113L16 F18 Q32 V33 V34L16-T36 HydrophobicContact CD1-CG2 4.06Å; L16-T36 HydrophobicContact CD2-CG2 4.11Å; F18-T36 HydrophobicContact CE1-CG2 4.36Å; F18-T36 HydrophobicContact CZ-CG2 4.21Å; Q32-T36 WeakPolarHBondContact O-CB 3.42Å; Q32-T36 PolarHBondContact O-N 3.3Å; Q32-T36 VanDerWaalsContact O-N 3.08Å; Q32-T36 PolarHBondContact O-OG1 3.28Å; Q32-T36 VanDerWaalsContact O-OG1 3.12Å; V33-T36 PolarHBondContact O-N 3.39Å; V33-T36 VanDerWaalsContact O-N 3.09Å; V34-T36 PolarHBondContact O-N 3.06Å
37I96.5Very high97Very high38 Ų3834.2 Ų34.220%0.19518%0.177CC..Hα-helixtrans-100.8-217965.1175.5000114.5T11 L16 V33 V34 K35 L39 F80 L101T11-I37 HydrophobicContact CG2-CG2 4.46Å; L16-I37 HydrophobicContact CD1-CG2 3.75Å; V33-I37 PolarHBondContact O-N 2.72Å; V33-I37 VanDerWaalsContact O-N 3.16Å; V34-I37 WeakPolarHBondContact O-CG1 3.4Å; V34-I37 PolarHBondContact O-N 2.74Å; K35-I37 VanDerWaalsContact C-N 3.34Å; I37-L39 VanDerWaalsContact C-N 3.33Å; I37-L39 HydrophobicContact CD1-CB 3.76Å; I37-L39 HydrophobicContact CD1-CD2 4.13Å; I37-L39 HydrophobicContact CG1-CB 3.7Å; I37-F80 HydrophobicContact CD1-CD1 4.37Å; I37-F80 HydrophobicContact CD1-CE1 3.92Å; I37-F80 HydrophobicContact CD1-CZ 4.15Å; I37-L101 HydrophobicContact CD1-CD1 4.15Å
38G95.5Very high97Very high46 Ų4634.3 Ų34.347%0.47418%0.178SC..THydrogen-bonded Turntrans69.527-17800000114.3V34 Q95V34-G38 PolarHBondContact O-N 3.03Å; G38-Q95 PolarHBondContact O-NE2 2.98Å
39L96.7Very high96.9Very high3 Ų330.2 Ų30.22%0.01616%0.158CC..  trans-91.6128.8-179.4-179.375.2000111.1V34 I37 V42 F45 F80 I97 T98V34-L39 HydrophobicContact CB-CB 4.35Å; V34-L39 HydrophobicContact CG1-CD2 4.21Å; V34-L39 PolarHBondContact O-N 3.37Å; I37-L39 VanDerWaalsContact C-N 3.33Å; I37-L39 HydrophobicContact CD1-CB 3.76Å; I37-L39 HydrophobicContact CD1-CD2 4.13Å; I37-L39 HydrophobicContact CG1-CB 3.7Å; L39-V42 HydrophobicContact CD2-CG1 4.29Å; L39-V42 HydrophobicContact CG-CG1 4.22Å; L39-V42 WeakPolarHBondContact O-CG1 3.46Å; L39-F45 HydrophobicContact CD1-CE2 4.05Å; L39-F45 HydrophobicContact CD2-CD2 3.59Å; L39-F45 HydrophobicContact CD2-CE2 3.78Å; L39-F45 HydrophobicContact CD2-CG 4.09Å; L39-F45 HydrophobicContact CD2-CZ 4.43Å; L39-F80 HydrophobicContact CD2-CE1 3.87Å; L39-F80 HydrophobicContact CD2-CZ 3.54Å; L39-I97 HydrophobicContact CD1-CG2 4.17Å; L39-T98 WeakPolarHBondContact CD1-OG1 3.36Å
40R96Very high96.7Very high27 Ų2735.1 Ų35.110%0.10218%0.181CC..  trans-108.2-36.1-178.5-58.8-176.2-96.7163.8-11.8112.3V42 Q95 M305 E479 Q480 D481R40-V42 PolarHBondContact O-N 3.36Å; R40-Q95 VanDerWaalsContact CB-OE1 3.26Å; R40-Q95 VanDerWaalsContact NE-CD 3.34Å; R40-M305 HydrophobicContact CB-CE 3.57Å; R40-E479 PolarHBondContact NH1-O 3.37Å; R40-Q480 VanDerWaalsContact CD-O 3.31Å; R40-Q480 WeakPolarHBondContact CD-O 3.39Å; R40-Q480 PolarHBondContact NH1-O 2.93Å; R40-D481 HydrophobicContact CG-CB 4.4Å
41E95.6Very high96.3Very high0 Ų034.9 Ų34.90%018%0.181CC..  trans-77.848.5179.6-57171.781.100112.2W43 F44 F45 E92 L93 I94 Q95 T98 M305E41-W43 HydrophobicContact CB-CH2 4.17Å; E41-W43 HydrophobicContact CB-CZ2 3.84Å; E41-W43 HydrophobicContact CG-CH2 4.02Å; E41-W43 HydrophobicContact CG-CZ2 3.84Å; E41-W43 PolarHBondContact O-N 3.41Å; E41-F44 HydrophobicContact CB-CD2 4.16Å; E41-F44 HydrophobicContact CB-CE2 4.35Å; E41-F45 WeakPolarHBondContact O-CD2 3.34Å; E41-E92 VanDerWaalsContact OE1-O 3.04Å; E41-L93 WeakPolarHBondContact OE1-CA 3.34Å; E41-I94 VanDerWaalsContact CD-N 3.34Å; E41-I94 PolarHBondContact OE1-N 2.87Å; E41-I94 PolarHBondContact OE2-N 3.36Å; E41-Q95 WeakPolarHBondContact OE2-CB 3.49Å; E41-Q95 WeakPolarHBondContact OE2-CG 3.31Å; E41-Q95 PolarHBondContact OE2-N 2.86Å; E41-T98 HydrophobicContact CB-CG2 4.09Å; E41-T98 VanDerWaalsContact CD-OG1 3.31Å; E41-T98 WeakPolarHBondContact OE2-CB 3.5Å; E41-T98 PolarHBondContact OE2-OG1 3.16Å; E41-M305 HydrophobicContact CG-CE 3.4Å; E41-M305 VanDerWaalsContact CG-CE 3.4Å
42V95.5Very high95.8Very high5 Ų536.3 Ų36.33%0.0319%0.191CC..G310 helixtrans-70.3-21.9-165.3-50.10000112.7F30 V34 L39 R40 F44 F45 Q483F30-V42 HydrophobicContact CE1-CB 3.78Å; F30-V42 HydrophobicContact CE1-CG2 3.91Å; F30-V42 HydrophobicContact CZ-CB 3.88Å; F30-V42 HydrophobicContact CZ-CG2 4.41Å; V34-V42 HydrophobicContact CB-CG1 3.67Å; V34-V42 HydrophobicContact CG1-CB 4.13Å; V34-V42 HydrophobicContact CG1-CG1 3.67Å; V34-V42 HydrophobicContact CG2-CG1 3.85Å; L39-V42 HydrophobicContact CD2-CG1 4.29Å; L39-V42 HydrophobicContact CG-CG1 4.22Å; L39-V42 WeakPolarHBondContact O-CG1 3.46Å; R40-V42 PolarHBondContact O-N 3.36Å; V42-F44 PolarHBondContact O-N 3.16Å; V42-F44 VanDerWaalsContact O-N 3.08Å; V42-F45 PolarHBondContact O-N 3.46Å; V42-Q483 VanDerWaalsContact CG2-C 3.42Å; V42-Q483 VanDerWaalsContact CG2-CA 3.48Å; V42-Q483 VanDerWaalsContact CG2-N 3.28Å; V42-Q483 WeakPolarHBondContact CG2-O 3.46Å
43W94.3Very high95.3Very high26 Ų2639.4 Ų39.410%0.09820%0.203CC..G310 helixtrans-56.9-22.8-179.853.377.8000114.2E41 F84 L290 V302 M305E41-W43 HydrophobicContact CB-CH2 4.17Å; E41-W43 HydrophobicContact CB-CZ2 3.84Å; E41-W43 HydrophobicContact CG-CH2 4.02Å; E41-W43 HydrophobicContact CG-CZ2 3.84Å; E41-W43 PolarHBondContact O-N 3.41Å; W43-F84 WeakPolarHBondContact O-CD2 3.23Å; W43-L290 HydrophobicContact CB-CD2 4.45Å; W43-L290 HydrophobicContact CG-CD2 4.3Å; W43-V302 HydrophobicContact CH2-CG2 4.09Å; W43-M305 HydrophobicContact CH2-CE 4.44Å; W43-M305 HydrophobicContact CH2-SD 4.2Å
44F97.1Very high94.7Very high1 Ų141 Ų410%0.00422%0.22CC..G310 helixtrans-75.4-21.6173.5-67.2-60.6000114.1E41 V42 K83 F84 E92 L93 T98 F102 L290E41-F44 HydrophobicContact CB-CD2 4.16Å; E41-F44 HydrophobicContact CB-CE2 4.35Å; V42-F44 PolarHBondContact O-N 3.16Å; V42-F44 VanDerWaalsContact O-N 3.08Å; F44-K83 PolarHBondContact O-N 3.25Å; F44-F84 PolarHBondContact O-N 2.7Å; F44-E92 HydrophobicContact CZ-CB 4.07Å; F44-L93 HydrophobicContact CD2-CD2 4.03Å; F44-L93 HydrophobicContact CE2-CD2 3.57Å; F44-L93 HydrophobicContact CZ-CD2 3.89Å; F44-T98 HydrophobicContact CD2-CG2 4.36Å; F44-F102 HydrophobicContact CB-CE2 3.77Å; F44-F102 HydrophobicContact CB-CZ 3.8Å; F44-F102 HydrophobicContact CD1-CE2 4.4Å; F44-F102 HydrophobicContact CD1-CZ 4.08Å; F44-F102 HydrophobicContact CD2-CE2 4.02Å; F44-F102 AromaticContact CG-CE2 3.82Å; F44-F102 HydrophobicContact CG-CE2 3.82Å; F44-F102 AromaticContact CG-CZ 3.89Å; F44-F102 HydrophobicContact CG-CZ 3.89Å; F44-L290 HydrophobicContact CD1-CD1 4.36Å; F44-L290 HydrophobicContact CE1-CD1 4.43Å
45F98.2Very high94.1Very high10 Ų1044.8 Ų44.84%0.04424%0.236CC..EExtended strand (participates in β ladder)trans-108.5176.6-160.3-64.7-91000114.5F30 L39 E41 V42 F80 R81 A82 T98 L101 F102F30-F45 HydrophobicContact CE2-CB 4.3Å; F30-F45 HydrophobicContact CZ-CB 4.39Å; L39-F45 HydrophobicContact CD1-CE2 4.05Å; L39-F45 HydrophobicContact CD2-CD2 3.59Å; L39-F45 HydrophobicContact CD2-CE2 3.78Å; L39-F45 HydrophobicContact CD2-CG 4.09Å; L39-F45 HydrophobicContact CD2-CZ 4.43Å; E41-F45 WeakPolarHBondContact O-CD2 3.34Å; V42-F45 PolarHBondContact O-N 3.46Å; F45-F80 HydrophobicContact CB-CE1 3.82Å; F45-F80 HydrophobicContact CB-CE2 4.03Å; F45-F80 HydrophobicContact CB-CZ 3.4Å; F45-F80 HydrophobicContact CD1-CD1 4.06Å; F45-F80 AromaticContact CD1-CE1 3.33Å; F45-F80 HydrophobicContact CD1-CE1 3.33Å; F45-F80 AromaticContact CD1-CZ 3.87Å; F45-F80 HydrophobicContact CD1-CZ 3.87Å; F45-F80 HydrophobicContact CD2-CE1 4.45Å; F45-F80 HydrophobicContact CD2-CZ 4.38Å; F45-F80 AromaticContact CE1-CE1 3.99Å; F45-F80 HydrophobicContact CE1-CE1 3.99Å; F45-F80 AromaticContact CG-CE1 3.62Å; F45-F80 HydrophobicContact CG-CE1 3.62Å; F45-F80 AromaticContact CG-CZ 3.63Å; F45-F80 HydrophobicContact CG-CZ 3.63Å; F45-R81 WeakPolarHBondContact CA-O 3.29Å; F45-A82 HydrophobicContact CD1-CB 4.06Å; F45-A82 HydrophobicContact CE1-CB 3.95Å; F45-T98 HydrophobicContact CE2-CG2 4.07Å; F45-T98 HydrophobicContact CZ-CG2 4.22Å; F45-L101 HydrophobicContact CE1-CB 3.95Å; F45-L101 HydrophobicContact CE1-CD1 4.19Å; F45-L101 HydrophobicContact CZ-CB 4.12Å; F45-L101 HydrophobicContact CZ-CD1 4.28Å; F45-F102 HydrophobicContact CE2-CE2 4.22Å; F45-F102 AromaticContact CZ-CD2 3.97Å; F45-F102 HydrophobicContact CZ-CD2 3.97Å; F45-F102 AromaticContact CZ-CE2 3.9Å; F45-F102 HydrophobicContact CZ-CE2 3.9Å
46G96.9Very high93.7Very high6 Ų638.7 Ų38.76%0.06222%0.216CC..EExtended strand (participates in β ladder)trans-169.5170.7170.700000112.4R81G46-R81 PolarHBondContact N-O 2.88Å; G46-R81 PolarHBondContact O-N 3.04Å
47L98.3Very high93.4Very high1 Ų136 Ų361%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-97.6124.1169.8-69.3166.1000109.6V9 L29 F30 V33 W58 L59 F78 K79 F80V9-L47 HydrophobicContact CG1-CD2 3.52Å; V9-L47 HydrophobicContact CG2-CD2 4.42Å; L29-L47 HydrophobicContact CD2-CD1 4.1Å; L29-L47 HydrophobicContact CG-CD1 3.85Å; F30-L47 HydrophobicContact CB-CD1 4.22Å; F30-L47 HydrophobicContact CD2-CD1 4.44Å; F30-L47 HydrophobicContact CD2-CG 4.27Å; V33-L47 HydrophobicContact CG2-CD2 4.45Å; L47-W58 WeakPolarHBondContact O-CA 3.31Å; L47-L59 HydrophobicContact CB-CB 3.99Å; L47-L59 HydrophobicContact CB-CD2 3.98Å; L47-L59 HydrophobicContact CD1-CD2 3.74Å; L47-L59 WeakPolarHBondContact O-CB 3.47Å; L47-L59 PolarHBondContact O-N 3.08Å; L47-F78 HydrophobicContact CB-CD1 4.37Å; L47-F78 HydrophobicContact CD2-CB 4.13Å; L47-K79 CarbonylContact C-O 3.45Å; L47-K79 WeakPolarHBondContact CA-O 3.47Å; L47-F80 HydrophobicContact CD2-CB 4.14Å; L47-F80 HydrophobicContact CD2-CD2 3.97Å; L47-F80 HydrophobicContact CG-CD2 4.44Å
48Q96.8Very high93.3Very high47 Ų4737 Ų3722%0.2220%0.201CC..EExtended strand (participates in β ladder)trans-94.9150.1166.9-62.5-173.310.200110.5S56 T57 W58 F78 K79Q48-S56 PolarHBondContact OE1-OG 2.99Å; Q48-T57 CarbonylContact C-O 3.55Å; Q48-T57 WeakPolarHBondContact CA-O 3.49Å; Q48-W58 HydrophobicContact CG-CD2 3.81Å; Q48-W58 HydrophobicContact CG-CE3 3.45Å; Q48-W58 VanDerWaalsContact CG-CE3 3.45Å; Q48-W58 HydrophobicContact CG-CH2 3.76Å; Q48-W58 HydrophobicContact CG-CZ2 4.08Å; Q48-W58 HydrophobicContact CG-CZ3 3.42Å; Q48-W58 VanDerWaalsContact CG-CZ3 3.42Å; Q48-F78 CarbonylContact O-C 3.53Å; Q48-F78 WeakPolarHBondContact O-CA 3.24Å; Q48-K79 HydrophobicContact CB-CB 4.49Å; Q48-K79 PolarHBondContact N-O 2.73Å; Q48-K79 PolarHBondContact O-N 2.83Å
49Y96.2Very high93.3Very high14 Ų1435.4 Ų35.46%0.05518%0.181CC..EExtended strand (participates in β ladder)trans-136.7158.2165.362-84.8000110.5D51 S56 T57 L59 V70 F78Y49-D51 HydrophobicContact CD2-CB 4.49Å; Y49-D51 HydrophobicContact CE2-CB 4.02Å; Y49-S56 WeakPolarHBondContact O-CA 3.49Å; Y49-T57 VanDerWaalsContact CD1-O 3.22Å; Y49-T57 WeakPolarHBondContact CD1-O 3.43Å; Y49-T57 HydrophobicContact CE1-CG2 3.98Å; Y49-T57 HydrophobicContact CE2-CG2 4.29Å; Y49-T57 PolarHBondContact N-O 3.48Å; Y49-T57 PolarHBondContact O-N 3.07Å; Y49-T57 WeakPolarHBondContact OH-CG2 3.23Å; Y49-L59 HydrophobicContact CD1-CB 4.37Å; Y49-L59 HydrophobicContact CD1-CD1 4.43Å; Y49-L59 HydrophobicContact CE1-CB 4.4Å; Y49-L59 HydrophobicContact CE1-CD1 4.27Å; Y49-V70 HydrophobicContact CD1-CG2 4.25Å; Y49-V70 HydrophobicContact CD2-CB 4.09Å; Y49-V70 HydrophobicContact CD2-CG1 4.16Å; Y49-V70 HydrophobicContact CD2-CG2 3.83Å; Y49-V70 HydrophobicContact CE1-CG2 4.23Å; Y49-V70 HydrophobicContact CE2-CB 4.28Å; Y49-V70 HydrophobicContact CE2-CG2 3.82Å; Y49-V70 HydrophobicContact CG-CG1 4.36Å; Y49-V70 HydrophobicContact CG-CG2 4.05Å; Y49-F78 HydrophobicContact CD1-CD1 4.28Å; Y49-F78 AromaticContact CD1-CE1 3.91Å; Y49-F78 HydrophobicContact CD1-CE1 3.91Å; Y49-F78 HydrophobicContact CG-CD1 4.4Å; Y49-F78 HydrophobicContact CG-CE1 4.06Å
50Q93.2Very high93.2Very high103 Ų10338.5 Ų38.548%0.48120%0.195SC..EExtended strand (participates in β ladder)trans-81.3125.2164.1-71.1-1684.600109.3R71Q50-R71 WeakPolarHBondContact O-CG 3.35Å; Q50-R71 VanDerWaalsContact OE1-CZ 3.26Å
51D89.6Confident93.1Very high0 Ų037.9 Ų37.90%019%0.194CC..BIsolated β-bridgetrans-74.4176.9176.577.6-5.9000112.8Y49 K53 G54 F55 D69 R71 R275Y49-D51 HydrophobicContact CD2-CB 4.49Å; Y49-D51 HydrophobicContact CE2-CB 4.02Å; D51-K53 PolarHBondContact O-N 3.11Å; D51-K53 VanDerWaalsContact OD1-CA 3.24Å; D51-K53 WeakPolarHBondContact OD1-CA 3.47Å; D51-K53 WeakPolarHBondContact OD1-CB 3.04Å; D51-K53 PolarHBondContact OD1-N 2.96Å; D51-G54 PolarHBondContact O-N 2.96Å; D51-G54 PolarHBondContact OD1-N 2.97Å; D51-F55 PolarHBondContact N-O 2.98Å; D51-F55 VanDerWaalsContact N-O 3.11Å; D51-F55 PolarHBondContact OD1-N 3.09Å; D51-D69 CarbonylContact C-O 3.56Å; D51-D69 WeakPolarHBondContact CA-O 3.49Å; D51-D69 HydrophobicContact CB-CB 4.26Å; D51-D69 WeakPolarHBondContact CB-O 3.1Å; D51-R71 PolarHBondContact O-NE 3.43Å; D51-R275 IonicContact OD2-CZ 3.84Å; D51-R275 IonicContact OD2-NH1 2.84Å; D51-R275 PolarHBondContact OD2-NH1 3.13Å; D51-R275 IonicContact OD2-NH2 2.73Å; D51-R275 PolarHBondContact OD2-NH2 2.64Å
52T88.7Confident92.9Very high81 Ų8141.8 Ų41.850%0.49721%0.214SC..THydrogen-bonded Turntrans-58.2-10.5174.560.30000114.5D69T52-D69 WeakPolarHBondContact CB-OD1 3.41Å; T52-D69 WeakPolarHBondContact CG2-OD1 3.23Å; T52-D69 PolarHBondContact N-O 3.01Å; T52-D69 VanDerWaalsContact N-O 3.12Å; T52-D69 PolarHBondContact OG1-OD1 3.37Å
53K86.5Confident92.8Very high145 Ų14546 Ų4663%0.6323%0.232SC*.THydrogen-bonded Turntrans-1134.1-179.1-60.2170.5-171.2171.50112.8D51 F55D51-K53 PolarHBondContact O-N 3.11Å; D51-K53 VanDerWaalsContact OD1-CA 3.24Å; D51-K53 WeakPolarHBondContact OD1-CA 3.47Å; D51-K53 WeakPolarHBondContact OD1-CB 3.04Å; D51-K53 PolarHBondContact OD1-N 2.96Å; K53-F55 HydrophobicContact CB-CD2 3.74Å; K53-F55 HydrophobicContact CB-CE2 3.82Å
54G84.7Confident92.9Very high34 Ų3449.8 Ų49.835%0.35125%0.25SC..SBendtrans81.85.617900000116.2D51D51-G54 PolarHBondContact O-N 2.96Å; D51-G54 PolarHBondContact OD1-N 2.97Å
55F84.7Confident92.9Very high92 Ų9249.8 Ų49.840%0.40425%0.25SC..  trans-84.1128.2176.6-60.5-75000111.1D51 K53 T57D51-F55 PolarHBondContact N-O 2.98Å; D51-F55 VanDerWaalsContact N-O 3.11Å; D51-F55 PolarHBondContact OD1-N 3.09Å; K53-F55 HydrophobicContact CB-CD2 3.74Å; K53-F55 HydrophobicContact CB-CE2 3.82Å; F55-T57 PolarHBondContact O-N 3.36Å; F55-T57 PolarHBondContact O-OG1 3.16Å
56S89.6Confident92.6Very high55 Ų5552.4 Ų52.439%0.38527%0.266SS..EExtended strand (participates in β ladder)trans-58.5129.2166.3-177.40000110.1Q48 Y49Q48-S56 PolarHBondContact OE1-OG 2.99Å; Y49-S56 WeakPolarHBondContact O-CA 3.49Å
57T91Very high92.4Very high23 Ų2355.5 Ų55.514%0.14129%0.291CS..EExtended strand (participates in β ladder)trans-140.1129.2-171.3-59.80000109.7Q48 Y49 F55 R275Q48-T57 CarbonylContact C-O 3.55Å; Q48-T57 WeakPolarHBondContact CA-O 3.49Å; Y49-T57 VanDerWaalsContact CD1-O 3.22Å; Y49-T57 WeakPolarHBondContact CD1-O 3.43Å; Y49-T57 HydrophobicContact CE1-CG2 3.98Å; Y49-T57 HydrophobicContact CE2-CG2 4.29Å; Y49-T57 PolarHBondContact N-O 3.48Å; Y49-T57 PolarHBondContact O-N 3.07Å; Y49-T57 WeakPolarHBondContact OH-CG2 3.23Å; F55-T57 PolarHBondContact O-N 3.36Å; F55-T57 PolarHBondContact O-OG1 3.16Å; T57-R275 PolarHBondContact OG1-NH2 2.77Å
58W94.9Very high92.2Very high57 Ų5756.9 Ų56.922%0.21630%0.298CS..EExtended strand (participates in β ladder)trans-69.1132.1172-63108.5000111L47 Q48 R81 K83L47-W58 WeakPolarHBondContact O-CA 3.31Å; Q48-W58 HydrophobicContact CG-CD2 3.81Å; Q48-W58 HydrophobicContact CG-CE3 3.45Å; Q48-W58 VanDerWaalsContact CG-CE3 3.45Å; Q48-W58 HydrophobicContact CG-CH2 3.76Å; Q48-W58 HydrophobicContact CG-CZ2 4.08Å; Q48-W58 HydrophobicContact CG-CZ3 3.42Å; Q48-W58 VanDerWaalsContact CG-CZ3 3.42Å; W58-R81 HydrophobicContact CH2-CB 3.93Å; W58-R81 HydrophobicContact CZ3-CB 4.22Å; W58-K83 HydrophobicContact CD2-CB 4.5Å; W58-K83 HydrophobicContact CD2-CD 4.12Å; W58-K83 HydrophobicContact CD2-CG 4.05Å; W58-K83 HydrophobicContact CE3-CB 4.32Å; W58-K83 HydrophobicContact CE3-CD 4.18Å; W58-K83 HydrophobicContact CE3-CG 4.28Å; W58-K83 HydrophobicContact CH2-CB 3.46Å; W58-K83 VanDerWaalsContact CH2-CB 3.46Å; W58-K83 HydrophobicContact CH2-CG 4.01Å; W58-K83 HydrophobicContact CZ2-CB 3.66Å; W58-K83 HydrophobicContact CZ2-CG 3.76Å; W58-K83 HydrophobicContact CZ3-CB 3.81Å; W58-K83 HydrophobicContact CZ3-CD 4.47Å; W58-K83 HydrophobicContact CZ3-CG 4.26Å
59L95.8Very high91.9Very high13 Ų1357.5 Ų57.57%0.06830%0.302CS..PPolyproline II helixtrans-61.8132.3170.7-172.668.8000110L29 L47 Y49 V65 Q68 F78L29-L59 HydrophobicContact CD2-CD2 4.19Å; L47-L59 HydrophobicContact CB-CB 3.99Å; L47-L59 HydrophobicContact CB-CD2 3.98Å; L47-L59 HydrophobicContact CD1-CD2 3.74Å; L47-L59 WeakPolarHBondContact O-CB 3.47Å; L47-L59 PolarHBondContact O-N 3.08Å; Y49-L59 HydrophobicContact CD1-CB 4.37Å; Y49-L59 HydrophobicContact CD1-CD1 4.43Å; Y49-L59 HydrophobicContact CE1-CB 4.4Å; Y49-L59 HydrophobicContact CE1-CD1 4.27Å; L59-V65 HydrophobicContact CD1-CG1 4.49Å; L59-Q68 VanDerWaalsContact CD1-NE2 3.3Å; L59-F78 HydrophobicContact CD1-CE1 3.99Å; L59-F78 HydrophobicContact CD2-CE1 4.37Å
60K93.7Very high91.7Very high68 Ų6857.3 Ų57.330%0.29630%0.303SS..PPolyproline II helixtrans-85.5119.3169.5-63.6177.9177.6-79.90108N62 K63 Q68 G487K60-N62 VanDerWaalsContact C-N 3.35Å; K60-N62 PolarHBondContact O-N 3.48Å; K60-K63 HydrophobicContact CB-CB 4.32Å; K60-K63 HydrophobicContact CB-CG 4.21Å; K60-K63 HydrophobicContact CD-CD 4.34Å; K60-K63 PolarHBondContact O-N 2.76Å; K60-Q68 PolarHBondContact O-NE2 3.3Å; K60-G487 PolarHBondContact NZ-O 3.38Å
61L93.6Very high91.6Very high15 Ų1556.1 Ų56.18%0.07929%0.294CS..THydrogen-bonded Turntrans-64.8-38-177.9-50.2-179.3000111.3T25 G26 K27 F30 K63 N486T25-L61 WeakPolarHBondContact CB-O 3.34Å; G26-L61 CarbonylContact C-O 3.51Å; G26-L61 PolarHBondContact N-O 3.39Å; G26-L61 VanDerWaalsContact N-O 3.11Å; G26-L61 WeakPolarHBondContact O-CD2 3.47Å; K27-L61 HydrophobicContact CB-CB 3.84Å; K27-L61 HydrophobicContact CG-CB 4.28Å; K27-L61 PolarHBondContact N-O 2.85Å; F30-L61 HydrophobicContact CB-CD2 3.61Å; F30-L61 HydrophobicContact CD1-CD1 4.17Å; F30-L61 HydrophobicContact CD1-CD2 4.44Å; F30-L61 HydrophobicContact CD2-CD2 4.34Å; F30-L61 HydrophobicContact CG-CD1 4.43Å; F30-L61 HydrophobicContact CG-CD2 3.91Å; L61-K63 PolarHBondContact O-N 3.22Å; L61-N486 WeakPolarHBondContact CA-OD1 3.45Å; L61-N486 WeakPolarHBondContact CB-ND2 3.17Å; L61-N486 WeakPolarHBondContact CB-OD1 3.18Å; L61-N486 PolarHBondContact N-OD1 2.92Å
62N91.3Very high91.4Very high82 Ų8266.3 Ų66.344%0.43934%0.338SS..THydrogen-bonded Turntrans-76.31.3178.873.5-0.9000115.5K60 N486K60-N62 VanDerWaalsContact C-N 3.35Å; K60-N62 PolarHBondContact O-N 3.48Å; N62-N486 HydrophobicContact CB-CB 3.82Å; N62-N486 WeakPolarHBondContact CB-ND2 3.47Å; N62-N486 PolarHBondContact N-ND2 3.31Å; N62-N486 PolarHBondContact N-OD1 2.89Å; N62-N486 VanDerWaalsContact ND2-CB 3.29Å; N62-N486 WeakPolarHBondContact ND2-CB 3.47Å
63K94.8Very high91.4Very high94 Ų9466 Ų6641%0.40933%0.331SS..SBendtrans-113.7145.4176-61.2-155.9176.1-157.80110.8G26 K60 L61 V65 Q68G26-K63 PolarHBondContact N-O 2.81Å; K60-K63 HydrophobicContact CB-CB 4.32Å; K60-K63 HydrophobicContact CB-CG 4.21Å; K60-K63 HydrophobicContact CD-CD 4.34Å; K60-K63 PolarHBondContact O-N 2.76Å; L61-K63 PolarHBondContact O-N 3.22Å; K63-V65 PolarHBondContact O-N 3.44Å; K63-Q68 HydrophobicContact CB-CG 3.95Å; K63-Q68 PolarHBondContact O-NE2 2.9Å
64K96.2Very high91.6Very high105 Ų10564.1 Ų64.146%0.45734%0.336SS..BIsolated β-bridgetrans-54.5135.6171.2-62.2-179.6174.3174.20109.4T24 T66 A67T24-K64 VanDerWaalsContact O-CA 3.31Å; T24-K64 WeakPolarHBondContact O-CA 3.27Å; K64-T66 PolarHBondContact O-N 3.28Å; K64-A67 HydrophobicContact CB-CB 3.91Å; K64-A67 PolarHBondContact O-N 3.24Å
65V95.5Very high92.1Very high1 Ų163.8 Ų63.81%0.00633%0.328CS..G310 helixtrans-57-42.4-179.6-1780000110I20 T24 L29 L59 K63 A67 Q68 L76 F78I20-V65 HydrophobicContact CD1-CB 3.89Å; I20-V65 HydrophobicContact CD1-CG1 4.07Å; I20-V65 HydrophobicContact CD1-CG2 4.1Å; T24-V65 PolarHBondContact O-N 3.39Å; L29-V65 HydrophobicContact CB-CG2 4.15Å; L29-V65 HydrophobicContact CD2-CG1 4.3Å; L29-V65 HydrophobicContact CD2-CG2 3.92Å; L59-V65 HydrophobicContact CD1-CG1 4.49Å; K63-V65 PolarHBondContact O-N 3.44Å; V65-A67 PolarHBondContact O-N 2.96Å; V65-Q68 PolarHBondContact O-N 3.32Å; V65-L76 HydrophobicContact CG1-CD1 4.32Å; V65-F78 HydrophobicContact CG1-CE1 4.41Å; V65-F78 HydrophobicContact CG1-CE2 4.13Å; V65-F78 HydrophobicContact CG1-CZ 3.52Å
66T92.3Very high92.6Very high64 Ų6460.1 Ų60.139%0.39331%0.312SS..G310 helixtrans-65.9-14.5175.852.70000115.6I5 P22 K64I5-T66 HydrophobicContact CD1-CG2 3.37Å; P22-T66 PolarHBondContact O-OG1 3.44Å; K64-T66 PolarHBondContact O-N 3.28Å
67A92.9Very high93Very high71 Ų7161.2 Ų61.259%0.58731%0.314SS*.G310 helixtrans-105.415-179.100000112.9K64 V65K64-A67 HydrophobicContact CB-CB 3.91Å; K64-A67 PolarHBondContact O-N 3.24Å; V65-A67 PolarHBondContact O-N 2.96Å
68Q93.5Very high93.3Very high31 Ų3160.3 Ų60.315%0.14531%0.308CS..SBendtrans-112.8168.6175.9-65.6-177.172.100110.3L59 K60 K63 V65 V70L59-Q68 VanDerWaalsContact CD1-NE2 3.3Å; K60-Q68 PolarHBondContact O-NE2 3.3Å; K63-Q68 HydrophobicContact CB-CG 3.95Å; K63-Q68 PolarHBondContact O-NE2 2.9Å; V65-Q68 PolarHBondContact O-N 3.32Å; Q68-V70 HydrophobicContact CB-CG2 4.12Å; Q68-V70 PolarHBondContact O-N 2.93Å
69D91.5Very high93.5Very high59 Ų5962.5 Ų62.532%0.31632%0.319SS..SBendtrans-7731.9-171.3-160.37.3000112.8D51 T52D51-D69 CarbonylContact C-O 3.56Å; D51-D69 WeakPolarHBondContact CA-O 3.49Å; D51-D69 HydrophobicContact CB-CB 4.26Å; D51-D69 WeakPolarHBondContact CB-O 3.1Å; T52-D69 WeakPolarHBondContact CB-OD1 3.41Å; T52-D69 WeakPolarHBondContact CG2-OD1 3.23Å; T52-D69 PolarHBondContact N-O 3.01Å; T52-D69 VanDerWaalsContact N-O 3.12Å; T52-D69 PolarHBondContact OG1-OD1 3.37Å
70V91.4Very high93.6Very high10 Ų1062 Ų626%0.06132%0.316CS..BIsolated β-bridgetrans-71.3139.8-178.2-167.40000109.2Y49 Q68 K72 L76 F78Y49-V70 HydrophobicContact CD1-CG2 4.25Å; Y49-V70 HydrophobicContact CD2-CB 4.09Å; Y49-V70 HydrophobicContact CD2-CG1 4.16Å; Y49-V70 HydrophobicContact CD2-CG2 3.83Å; Y49-V70 HydrophobicContact CE1-CG2 4.23Å; Y49-V70 HydrophobicContact CE2-CB 4.28Å; Y49-V70 HydrophobicContact CE2-CG2 3.82Å; Y49-V70 HydrophobicContact CG-CG1 4.36Å; Y49-V70 HydrophobicContact CG-CG2 4.05Å; Q68-V70 HydrophobicContact CB-CG2 4.12Å; Q68-V70 PolarHBondContact O-N 2.93Å; V70-K72 PolarHBondContact O-N 2.92Å; V70-L76 HydrophobicContact CG1-CD2 4.15Å; V70-F78 HydrophobicContact CG1-CE1 4.31Å; V70-F78 HydrophobicContact CG1-CZ 3.9Å; V70-F78 HydrophobicContact CG2-CE1 4.26Å; V70-F78 HydrophobicContact CG2-CZ 4.16Å
71R90.9Very high93.8Very high79 Ų7959.7 Ų59.730%0.29831%0.306SS..  trans-58.1135.3172.3-72.6174.2176.2-163.5-2.6110.5Q50 D51 E73 L76Q50-R71 WeakPolarHBondContact O-CG 3.35Å; Q50-R71 VanDerWaalsContact OE1-CZ 3.26Å; D51-R71 PolarHBondContact O-NE 3.43Å; R71-E73 HydrophobicContact CB-CG 4.17Å; R71-E73 PolarHBondContact O-N 3.41Å; R71-L76 WeakPolarHBondContact O-CD2 3.41Å
72K85.9Confident94Very high213 Ų21359.1 Ų59.193%0.92630%0.303SS*.  trans-85.752.8-177-63.5-175.8179.7179.40111.7V70V70-K72 PolarHBondContact O-N 2.92Å
73E89.8Confident94.2Very high74 Ų7457.6 Ų57.635%0.34629%0.292SS..  trans-93.9170.3173.657.8-152.1175.100111R71 L76 L77R71-E73 HydrophobicContact CB-CG 4.17Å; R71-E73 PolarHBondContact O-N 3.41Å; E73-L76 WeakPolarHBondContact O-CD2 3.35Å; E73-L77 HydrophobicContact CG-CG 4.38Å
74S89.7Confident94.3Very high106 Ų10653.8 Ų53.874%0.74128%0.276SS*.SBendtrans-142.2112.5-178.7176.90000109.4
75P94.6Very high94.4Very high28 Ų2850 Ų5018%0.18226%0.259CS..SBendcis-65.1154.4-0.627.8-35.2000113.5S6 R8 L77S6-P75 CarbonylContact O-C 3.55Å; S6-P75 WeakPolarHBondContact O-CA 3.42Å; R8-P75 HydrophobicContact CB-CB 3.76Å; R8-P75 HydrophobicContact CB-CG 3.72Å; P75-L77 HydrophobicContact CG-CD2 4.14Å; P75-L77 PolarHBondContact O-N 2.83Å
76L96.2Very high94.4Very high14 Ų1450.3 Ų50.37%0.07326%0.261CS..EExtended strand (participates in β ladder)trans-66.8127.6166.4-64.6176.2000109.4I5 S6 V7 R8 V65 V70 R71 E73 F78I5-L76 HydrophobicContact CG2-CD1 3.66Å; I5-L76 HydrophobicContact CG2-CG 4Å; S6-L76 PolarHBondContact O-N 3.28Å; V7-L76 HydrophobicContact CG2-CB 4.34Å; V7-L76 HydrophobicContact CG2-CD1 4.34Å; R8-L76 PolarHBondContact N-O 2.88Å; V65-L76 HydrophobicContact CG1-CD1 4.32Å; V70-L76 HydrophobicContact CG1-CD2 4.15Å; R71-L76 WeakPolarHBondContact O-CD2 3.41Å; E73-L76 WeakPolarHBondContact O-CD2 3.35Å; L76-F78 HydrophobicContact CB-CE2 3.74Å; L76-F78 HydrophobicContact CB-CZ 4.46Å
77L97.4Very high94.4Very high79 Ų7948.3 Ų48.341%0.41425%0.247SC..EExtended strand (participates in β ladder)trans-95.7124.4-173-56.1-176.6000112.8R8 E73 P75R8-L77 HydrophobicContact CB-CD2 4.04Å; R8-L77 HydrophobicContact CG-CD2 4.36Å; E73-L77 HydrophobicContact CG-CG 4.38Å; P75-L77 HydrophobicContact CG-CD2 4.14Å; P75-L77 PolarHBondContact O-N 2.83Å
78F98.2Very high94.6Very high4 Ų446.3 Ų46.32%0.01823%0.226CC..EExtended strand (participates in β ladder)trans-128154.9172.3-60.3-88.7000111.7V7 R8 V9 T10 L29 L47 Q48 Y49 L59 V65 V70 L76V7-F78 HydrophobicContact CG1-CD2 3.61Å; V7-F78 HydrophobicContact CG1-CE2 3.76Å; R8-F78 PolarHBondContact O-N 3.35Å; V9-F78 WeakPolarHBondContact CA-O 3.34Å; V9-F78 HydrophobicContact CG2-CB 4.29Å; T10-F78 PolarHBondContact N-O 2.84Å; L29-F78 HydrophobicContact CD2-CD2 4.22Å; L29-F78 HydrophobicContact CD2-CE2 4.03Å; L29-F78 HydrophobicContact CD2-CZ 4.35Å; L47-F78 HydrophobicContact CB-CD1 4.37Å; L47-F78 HydrophobicContact CD2-CB 4.13Å; Q48-F78 CarbonylContact O-C 3.53Å; Q48-F78 WeakPolarHBondContact O-CA 3.24Å; Y49-F78 HydrophobicContact CD1-CD1 4.28Å; Y49-F78 AromaticContact CD1-CE1 3.91Å; Y49-F78 HydrophobicContact CD1-CE1 3.91Å; Y49-F78 HydrophobicContact CG-CD1 4.4Å; Y49-F78 HydrophobicContact CG-CE1 4.06Å; L59-F78 HydrophobicContact CD1-CE1 3.99Å; L59-F78 HydrophobicContact CD2-CE1 4.37Å; V65-F78 HydrophobicContact CG1-CE1 4.41Å; V65-F78 HydrophobicContact CG1-CE2 4.13Å; V65-F78 HydrophobicContact CG1-CZ 3.52Å; V70-F78 HydrophobicContact CG1-CE1 4.31Å; V70-F78 HydrophobicContact CG1-CZ 3.9Å; V70-F78 HydrophobicContact CG2-CE1 4.26Å; V70-F78 HydrophobicContact CG2-CZ 4.16Å; L76-F78 HydrophobicContact CB-CE2 3.74Å; L76-F78 HydrophobicContact CB-CZ 4.46Å
79K98.3Very high94.7Very high103 Ų10344.8 Ų44.845%0.44822%0.219SC..EExtended strand (participates in β ladder)trans-116.9126.4168.7-65.1-168.1174.7-164.80110.4T10 L47 Q48 R81T10-K79 CarbonylContact O-C 3.57Å; T10-K79 VanDerWaalsContact O-CA 3.29Å; T10-K79 WeakPolarHBondContact O-CA 3.38Å; L47-K79 CarbonylContact C-O 3.45Å; L47-K79 WeakPolarHBondContact CA-O 3.47Å; Q48-K79 HydrophobicContact CB-CB 4.49Å; Q48-K79 PolarHBondContact N-O 2.73Å; Q48-K79 PolarHBondContact O-N 2.83Å; K79-R81 HydrophobicContact CB-CG 4.24Å
80F98.5Very high94.8Very high2 Ų244.2 Ų44.21%0.00922%0.22CC..EExtended strand (participates in β ladder)trans-81.3124.3168.7-168.7-94.4000108.8V9 T10 T11 F30 V33 V34 I37 L39 F45 L47 L101V9-F80 HydrophobicContact CG1-CB 4.03Å; T10-F80 PolarHBondContact O-N 3.05Å; T11-F80 HydrophobicContact CG2-CB 4.21Å; F30-F80 HydrophobicContact CD2-CE2 4.01Å; F30-F80 HydrophobicContact CE2-CD2 4.41Å; F30-F80 AromaticContact CE2-CE2 3.56Å; F30-F80 HydrophobicContact CE2-CE2 3.56Å; F30-F80 HydrophobicContact CE2-CZ 4.29Å; F30-F80 HydrophobicContact CZ-CE2 4.39Å; V33-F80 HydrophobicContact CG1-CD2 3.59Å; V33-F80 HydrophobicContact CG1-CE2 3.99Å; V33-F80 HydrophobicContact CG1-CG 4.16Å; V34-F80 HydrophobicContact CG1-CE2 3.78Å; V34-F80 HydrophobicContact CG1-CZ 3.92Å; I37-F80 HydrophobicContact CD1-CD1 4.37Å; I37-F80 HydrophobicContact CD1-CE1 3.92Å; I37-F80 HydrophobicContact CD1-CZ 4.15Å; L39-F80 HydrophobicContact CD2-CE1 3.87Å; L39-F80 HydrophobicContact CD2-CZ 3.54Å; F45-F80 HydrophobicContact CB-CE1 3.82Å; F45-F80 HydrophobicContact CB-CE2 4.03Å; F45-F80 HydrophobicContact CB-CZ 3.4Å; F45-F80 HydrophobicContact CD1-CD1 4.06Å; F45-F80 AromaticContact CD1-CE1 3.33Å; F45-F80 HydrophobicContact CD1-CE1 3.33Å; F45-F80 AromaticContact CD1-CZ 3.87Å; F45-F80 HydrophobicContact CD1-CZ 3.87Å; F45-F80 HydrophobicContact CD2-CE1 4.45Å; F45-F80 HydrophobicContact CD2-CZ 4.38Å; F45-F80 AromaticContact CE1-CE1 3.99Å; F45-F80 HydrophobicContact CE1-CE1 3.99Å; F45-F80 AromaticContact CG-CE1 3.62Å; F45-F80 HydrophobicContact CG-CE1 3.62Å; F45-F80 AromaticContact CG-CZ 3.63Å; F45-F80 HydrophobicContact CG-CZ 3.63Å; L47-F80 HydrophobicContact CD2-CB 4.14Å; L47-F80 HydrophobicContact CD2-CD2 3.97Å; L47-F80 HydrophobicContact CG-CD2 4.44Å; F80-L101 HydrophobicContact CE1-CD1 4.18Å
81R97.9Very high94.8Very high20 Ų2049.9 Ų49.98%0.07525%0.246CC..EExtended strand (participates in β ladder)trans-148.4147.3-172.9-72.1-64.9-177.5-88.220.7110.8T11 M12 F45 G46 W58 K79 Q105 E108T11-R81 PolarHBondContact O-NH1 3Å; M12-R81 VanDerWaalsContact SD-CD 3.55Å; M12-R81 PolarHBondContact SD-NE 2.85Å; M12-R81 PolarHBondContact SD-NH2 3.04Å; M12-R81 VanDerWaalsContact SD-NH2 3.42Å; F45-R81 WeakPolarHBondContact CA-O 3.29Å; G46-R81 PolarHBondContact N-O 2.88Å; G46-R81 PolarHBondContact O-N 3.04Å; W58-R81 HydrophobicContact CH2-CB 3.93Å; W58-R81 HydrophobicContact CZ3-CB 4.22Å; K79-R81 HydrophobicContact CB-CG 4.24Å; R81-Q105 VanDerWaalsContact CA-OE1 3.3Å; R81-E108 IonicContact CZ-OE1 3.58Å; R81-E108 IonicContact NE-OE1 3.99Å; R81-E108 PolarHBondContact NE-OE1 3.28Å; R81-E108 IonicContact NH2-OE1 2.75Å; R81-E108 PolarHBondContact NH2-OE1 3.35Å; R81-E108 IonicContact NH2-OE2 3.84Å
82A97.4Very high95Very high3 Ų347.5 Ų47.53%0.02524%0.238CC..EExtended strand (participates in β ladder)trans-64.2134.2166.700000109.4F45 F102 Q105F45-A82 HydrophobicContact CD1-CB 4.06Å; F45-A82 HydrophobicContact CE1-CB 3.95Å; A82-F102 HydrophobicContact CB-CD1 4.09Å; A82-F102 HydrophobicContact CB-CE1 3.64Å; A82-F102 HydrophobicContact CB-CE2 4.29Å; A82-F102 HydrophobicContact CB-CZ 3.76Å; A82-Q105 PolarHBondContact O-NE2 3.21Å
83K95.4Very high95.6Very high49 Ų4937.5 Ų37.521%0.21319%0.194CC..  trans-115.7-38.7-169.8174.6-176.3164.7-147.90111.2F44 W58F44-K83 PolarHBondContact O-N 3.25Å; W58-K83 HydrophobicContact CD2-CB 4.5Å; W58-K83 HydrophobicContact CD2-CD 4.12Å; W58-K83 HydrophobicContact CD2-CG 4.05Å; W58-K83 HydrophobicContact CE3-CB 4.32Å; W58-K83 HydrophobicContact CE3-CD 4.18Å; W58-K83 HydrophobicContact CE3-CG 4.28Å; W58-K83 HydrophobicContact CH2-CB 3.46Å; W58-K83 VanDerWaalsContact CH2-CB 3.46Å; W58-K83 HydrophobicContact CH2-CG 4.01Å; W58-K83 HydrophobicContact CZ2-CB 3.66Å; W58-K83 HydrophobicContact CZ2-CG 3.76Å; W58-K83 HydrophobicContact CZ3-CB 3.81Å; W58-K83 HydrophobicContact CZ3-CD 4.47Å; W58-K83 HydrophobicContact CZ3-CG 4.26Å
84F97.5Very high95.9Very high14 Ų1434.8 Ų34.86%0.06118%0.182CC..SBendtrans-117.9150.2170.9-52.7-67.6000108.2W43 F44 F102 L283 L290W43-F84 WeakPolarHBondContact O-CD2 3.23Å; F44-F84 PolarHBondContact O-N 2.7Å; F84-F102 WeakPolarHBondContact O-CZ 3.46Å; F84-L283 HydrophobicContact CE1-CD2 4.25Å; F84-L290 HydrophobicContact CB-CD1 3.45Å; F84-L290 VanDerWaalsContact CB-CD1 3.45Å; F84-L290 HydrophobicContact CD2-CD1 4.19Å; F84-L290 HydrophobicContact CG-CD1 3.94Å
85Y97.7Very high96.2Very high27 Ų2730.7 Ų30.711%0.10615%0.152CC..  trans-114.2152.7-175.5-79.1-110.5000110F102 Q105 V106 Y201 A222 R294Y85-F102 HydrophobicContact CD1-CD1 4.25Å; Y85-F102 AromaticContact CD1-CE1 3.81Å; Y85-F102 HydrophobicContact CD1-CE1 3.81Å; Y85-F102 HydrophobicContact CE1-CD1 4.28Å; Y85-F102 HydrophobicContact CE1-CE1 4.14Å; Y85-F102 HydrophobicContact CG-CE1 4.07Å; Y85-Q105 PolarHBondContact OH-NE2 3.06Å; Y85-V106 HydrophobicContact CE1-CG2 4Å; Y85-Y201 HydrophobicContact CD1-CD1 4.16Å; Y85-Y201 AromaticContact CD1-CE1 3.61Å; Y85-Y201 HydrophobicContact CD1-CE1 3.61Å; Y85-Y201 HydrophobicContact CD1-CE2 4.14Å; Y85-Y201 AromaticContact CD1-CZ 3.61Å; Y85-Y201 HydrophobicContact CE1-CE1 4.46Å; Y85-Y201 HydrophobicContact CE1-CE2 4.27Å; Y85-Y201 HydrophobicContact CG-CE1 4.37Å; Y85-A222 WeakPolarHBondContact O-CB 3.42Å; Y85-R294 PolarHBondContact O-NH2 3.36Å; Y85-R294 VanDerWaalsContact O-NH2 3.1Å
86P96.1Very high96.3Very high7 Ų732.5 Ų32.55%0.04516%0.159CC..  trans-66.3154.3171.630.4-36.6000111.8V89 E92 L93P86-V89 HydrophobicContact CG-CB 4.34Å; P86-V89 HydrophobicContact CG-CG1 3.63Å; P86-E92 WeakPolarHBondContact CA-OE1 3.35Å; P86-E92 HydrophobicContact CB-CB 3.94Å; P86-E92 HydrophobicContact CB-CG 4.42Å; P86-L93 HydrophobicContact CB-CD2 4.24Å; P86-L93 HydrophobicContact CB-CG 4.5Å; P86-L93 HydrophobicContact CG-CD1 4.21Å; P86-L93 HydrophobicContact CG-CD2 4.07Å; P86-L93 HydrophobicContact CG-CG 4.18Å
87E92.6Very high96.3Very high22 Ų2233.7 Ų33.710%0.10317%0.166CC..SBendtrans-87-28.4168.4-173.4168.1149.800110.3E92 A222 L223 Y291 R294 R295 E505 R508E87-E92 WeakPolarHBondContact CA-OE1 3.41Å; E87-E92 WeakPolarHBondContact CB-OE1 3.32Å; E87-E92 PolarHBondContact N-OE1 3.21Å; E87-A222 HydrophobicContact CB-CB 4.47Å; E87-L223 HydrophobicContact CG-CD2 3.77Å; E87-Y291 WeakPolarHBondContact OE2-CD2 3.31Å; E87-R294 VanDerWaalsContact CB-CZ 3.48Å; E87-R294 WeakPolarHBondContact OE2-CD 3.12Å; E87-R294 IonicContact OE2-CZ 3.14Å; E87-R294 IonicContact OE2-NE 3.82Å; E87-R294 IonicContact OE2-NH1 2.6Å; E87-R294 PolarHBondContact OE2-NH1 2.94Å; E87-R295 IonicContact OE1-CZ 2.8Å; E87-R295 IonicContact OE1-NH1 2.68Å; E87-R295 PolarHBondContact OE1-NH1 2.59Å; E87-R295 IonicContact OE1-NH2 2.9Å; E87-R295 IonicContact OE2-NH1 3.52Å; E87-E505 HydrophobicContact CG-CB 4.31Å; E87-R508 PolarHBondContact O-NH1 3.5Å
88D95.2Very high96.3Very high28 Ų2830 Ų3015%0.1515%0.146CC..SBendtrans-139.7120.8160.7-169.6-76000111.7S90 E91 E92 R508D88-S90 VanDerWaalsContact C-N 3.26Å; D88-S90 PolarHBondContact O-N 3.1Å; D88-S90 VanDerWaalsContact OD1-CA 3.29Å; D88-S90 WeakPolarHBondContact OD1-CA 3.29Å; D88-S90 WeakPolarHBondContact OD1-CB 3.33Å; D88-S90 PolarHBondContact OD1-N 2.82Å; D88-S90 PolarHBondContact OD1-OG 3.46Å; D88-E91 HydrophobicContact CB-CB 4.23Å; D88-E91 PolarHBondContact OD1-N 3.3Å; D88-E92 PolarHBondContact N-OE1 2.71Å; D88-E92 VanDerWaalsContact N-OE1 3.1Å; D88-E92 VanDerWaalsContact O-CB 3.3Å; D88-E92 WeakPolarHBondContact O-CB 3.44Å; D88-E92 PolarHBondContact O-N 2.97Å; D88-R508 VanDerWaalsContact CB-NH1 3.31Å; D88-R508 IonicContact OD2-CZ 3.25Å; D88-R508 IonicContact OD2-NH1 3.58Å; D88-R508 PolarHBondContact OD2-NH1 3.11Å; D88-R508 IonicContact OD2-NH2 3.3Å; D88-R508 PolarHBondContact OD2-NH2 3.2Å
89V96.6Very high96.3Very high0 Ų030.6 Ų30.60%015%0.149CC..Hα-helixtrans-66.3-23.9-178.4-59.90000114.4P86 L93 L189 L192 K193 Q196 Y201P86-V89 HydrophobicContact CG-CB 4.34Å; P86-V89 HydrophobicContact CG-CG1 3.63Å; V89-L93 HydrophobicContact CB-CD1 4.15Å; V89-L93 HydrophobicContact CB-CG 4.5Å; V89-L93 HydrophobicContact CG1-CD1 4.39Å; V89-L93 VanDerWaalsContact O-CB 3.3Å; V89-L93 WeakPolarHBondContact O-CB 3.42Å; V89-L93 WeakPolarHBondContact O-CG 3.46Å; V89-L93 PolarHBondContact O-N 2.84Å; V89-L189 HydrophobicContact CG2-CD1 4.15Å; V89-L192 HydrophobicContact CB-CB 4.21Å; V89-L192 HydrophobicContact CG1-CB 4.15Å; V89-L192 HydrophobicContact CG2-CB 4.1Å; V89-K193 HydrophobicContact CG2-CB 4.13Å; V89-K193 HydrophobicContact CG2-CG 3.54Å; V89-Q196 HydrophobicContact CG1-CB 4.02Å; V89-Y201 WeakPolarHBondContact CG1-OH 3.42Å
90S93.6Very high96.3Very high46 Ų4630.6 Ų30.632%0.32215%0.146SC..Hα-helixtrans-89.8-30.5-176.116.90000113.7D88D88-S90 VanDerWaalsContact C-N 3.26Å; D88-S90 PolarHBondContact O-N 3.1Å; D88-S90 VanDerWaalsContact OD1-CA 3.29Å; D88-S90 WeakPolarHBondContact OD1-CA 3.29Å; D88-S90 WeakPolarHBondContact OD1-CB 3.33Å; D88-S90 PolarHBondContact OD1-N 2.82Å; D88-S90 PolarHBondContact OD1-OG 3.46Å
91E92.2Very high96.3Very high129 Ų12930.6 Ų30.660%0.60315%0.147SC*.Hα-helixtrans-88.1-21.6175.4-66.2-59.214300113.2D88 K306D88-E91 HydrophobicContact CB-CB 4.23Å; D88-E91 PolarHBondContact OD1-N 3.3Å; E91-K306 WeakPolarHBondContact O-CE 3.34Å; E91-K306 PolarHBondContact O-NZ 3.32Å
92E94.5Very high96.3Very high29 Ų2929.7 Ų29.714%0.13614%0.143CC..Hα-helixtrans-107.5-27.7-174.7-73.6-177.9-105.500116.7E41 F44 P86 E87 D88 R294E41-E92 VanDerWaalsContact OE1-O 3.04Å; F44-E92 HydrophobicContact CZ-CB 4.07Å; P86-E92 WeakPolarHBondContact CA-OE1 3.35Å; P86-E92 HydrophobicContact CB-CB 3.94Å; P86-E92 HydrophobicContact CB-CG 4.42Å; E87-E92 WeakPolarHBondContact CA-OE1 3.41Å; E87-E92 WeakPolarHBondContact CB-OE1 3.32Å; E87-E92 PolarHBondContact N-OE1 3.21Å; D88-E92 PolarHBondContact N-OE1 2.71Å; D88-E92 VanDerWaalsContact N-OE1 3.1Å; D88-E92 VanDerWaalsContact O-CB 3.3Å; D88-E92 WeakPolarHBondContact O-CB 3.44Å; D88-E92 PolarHBondContact O-N 2.97Å; E92-R294 IonicContact OE1-CZ 2.7Å; E92-R294 IonicContact OE1-NE 3.11Å; E92-R294 PolarHBondContact OE1-NE 3.47Å; E92-R294 IonicContact OE1-NH2 2.93Å; E92-R294 PolarHBondContact OE1-NH2 3.16Å; E92-R294 IonicContact OE2-CZ 2.72Å; E92-R294 VanDerWaalsContact OE2-CZ 3.25Å; E92-R294 IonicContact OE2-NE 2.64Å; E92-R294 PolarHBondContact OE2-NE 3.13Å; E92-R294 IonicContact OE2-NH2 2.69Å; E92-R294 PolarHBondContact OE2-NH2 3.41Å
93L97.4Very high96.4Very high3 Ų330.1 Ų30.12%0.01614%0.144CC..  trans-99.6102.6-175.2-52.2-173.3000110.7E41 F44 P86 V89 T98 Q99 F102 L192E41-L93 WeakPolarHBondContact OE1-CA 3.34Å; F44-L93 HydrophobicContact CD2-CD2 4.03Å; F44-L93 HydrophobicContact CE2-CD2 3.57Å; F44-L93 HydrophobicContact CZ-CD2 3.89Å; P86-L93 HydrophobicContact CB-CD2 4.24Å; P86-L93 HydrophobicContact CB-CG 4.5Å; P86-L93 HydrophobicContact CG-CD1 4.21Å; P86-L93 HydrophobicContact CG-CD2 4.07Å; P86-L93 HydrophobicContact CG-CG 4.18Å; V89-L93 HydrophobicContact CB-CD1 4.15Å; V89-L93 HydrophobicContact CB-CG 4.5Å; V89-L93 HydrophobicContact CG1-CD1 4.39Å; V89-L93 VanDerWaalsContact O-CB 3.3Å; V89-L93 WeakPolarHBondContact O-CB 3.42Å; V89-L93 WeakPolarHBondContact O-CG 3.46Å; V89-L93 PolarHBondContact O-N 2.84Å; L93-T98 HydrophobicContact CB-CG2 4.38Å; L93-T98 HydrophobicContact CD2-CG2 3.93Å; L93-Q99 HydrophobicContact CB-CG 3.73Å; L93-Q99 PolarHBondContact O-NE2 3.42Å; L93-F102 HydrophobicContact CD1-CB 4.13Å; L93-F102 HydrophobicContact CD1-CD2 3.8Å; L93-F102 HydrophobicContact CD1-CE2 4.36Å; L93-F102 HydrophobicContact CD1-CG 3.98Å; L93-F102 HydrophobicContact CD2-CD2 3.91Å; L93-F102 HydrophobicContact CD2-CE2 3.7Å; L93-F102 HydrophobicContact CD2-CZ 4.38Å; L93-L192 HydrophobicContact CD1-CD1 3.97Å
94I97Very high96.5Very high18 Ų1829.7 Ų29.79%0.09214%0.144CC..  trans-95.8-42.8-162.6-52.7161000112.3E41 V302 M305 K306 A309E41-I94 VanDerWaalsContact CD-N 3.34Å; E41-I94 PolarHBondContact OE1-N 2.87Å; E41-I94 PolarHBondContact OE2-N 3.36Å; I94-V302 HydrophobicContact CD1-CG1 3.88Å; I94-M305 HydrophobicContact CD1-CB 4.05Å; I94-M305 HydrophobicContact CD1-CE 4.42Å; I94-M305 HydrophobicContact CD1-SD 4.35Å; I94-M305 HydrophobicContact CG2-CB 3.83Å; I94-M305 WeakPolarHBondContact CG2-O 3.25Å; I94-K306 HydrophobicContact CD1-CG 3.86Å; I94-K306 HydrophobicContact CG1-CG 3.95Å; I94-K306 HydrophobicContact CG2-CG 4.12Å; I94-A309 HydrophobicContact CG2-CB 3.65Å; I94-A309 WeakPolarHBondContact O-CB 3.39Å
95Q96.4Very high96.5Very high20 Ų2030.2 Ų30.29%0.09315%0.147CC..SBendtrans-88.5143179.8-56.3-177.3-94.600112.5G38 R40 E41 I97 T98 Q99 M305G38-Q95 PolarHBondContact O-NE2 2.98Å; R40-Q95 VanDerWaalsContact CB-OE1 3.26Å; R40-Q95 VanDerWaalsContact NE-CD 3.34Å; E41-Q95 WeakPolarHBondContact OE2-CB 3.49Å; E41-Q95 WeakPolarHBondContact OE2-CG 3.31Å; E41-Q95 PolarHBondContact OE2-N 2.86Å; Q95-I97 HydrophobicContact CB-CG2 3.85Å; Q95-I97 PolarHBondContact O-N 3.47Å; Q95-T98 WeakPolarHBondContact O-CB 3.11Å; Q95-T98 PolarHBondContact O-N 3.1Å; Q95-Q99 PolarHBondContact O-N 2.84Å; Q95-M305 HydrophobicContact CG-CE 4.3Å
96D95.6Very high96.6Very high65 Ų6528.9 Ų28.935%0.34814%0.142SC..Hα-helixtrans-51.7-38.5170-62.4-27.4000113R100 E185 K316D96-R100 WeakPolarHBondContact O-CB 3.31Å; D96-R100 PolarHBondContact O-N 2.78Å; D96-E185 HydrophobicContact CB-CG 4.4Å; D96-K316 IonicContact OD1-NZ 2.82Å; D96-K316 IonicContact OD2-NZ 3.14Å; D96-K316 PolarHBondContact OD2-NZ 3.26Å
97I96.5Very high96.7Very high40 Ų4030 Ų3021%0.20515%0.146CC..Hα-helixtrans-67.3-41179-17559000111.7L39 Q95 R100 L101L39-I97 HydrophobicContact CD1-CG2 4.17Å; Q95-I97 HydrophobicContact CB-CG2 3.85Å; Q95-I97 PolarHBondContact O-N 3.47Å; I97-R100 PolarHBondContact O-N 2.98Å; I97-L101 HydrophobicContact CD1-CD1 4.23Å; I97-L101 HydrophobicContact CD1-CG 4.16Å; I97-L101 HydrophobicContact CG1-CD1 4.07Å; I97-L101 HydrophobicContact CG1-CG 4.45Å; I97-L101 WeakPolarHBondContact O-CB 3.21Å; I97-L101 VanDerWaalsContact O-CG 3.24Å; I97-L101 WeakPolarHBondContact O-CG 3.38Å; I97-L101 PolarHBondContact O-N 2.99Å
98T97.9Very high97Very high0 Ų032.7 Ų32.70%016%0.158CC..Hα-helixtrans-62.2-52.6175.5-55.80000110.4L39 E41 F44 F45 L93 Q95 R100 L101 F102L39-T98 WeakPolarHBondContact CD1-OG1 3.36Å; E41-T98 HydrophobicContact CB-CG2 4.09Å; E41-T98 VanDerWaalsContact CD-OG1 3.31Å; E41-T98 WeakPolarHBondContact OE2-CB 3.5Å; E41-T98 PolarHBondContact OE2-OG1 3.16Å; F44-T98 HydrophobicContact CD2-CG2 4.36Å; F45-T98 HydrophobicContact CE2-CG2 4.07Å; F45-T98 HydrophobicContact CZ-CG2 4.22Å; L93-T98 HydrophobicContact CB-CG2 4.38Å; L93-T98 HydrophobicContact CD2-CG2 3.93Å; Q95-T98 WeakPolarHBondContact O-CB 3.11Å; Q95-T98 PolarHBondContact O-N 3.1Å; T98-R100 VanDerWaalsContact C-N 3.34Å; T98-R100 PolarHBondContact O-N 3.46Å; T98-L101 PolarHBondContact O-N 2.73Å; T98-F102 HydrophobicContact CG2-CD2 4Å; T98-F102 HydrophobicContact CG2-CE2 4.18Å; T98-F102 WeakPolarHBondContact O-CD2 3.31Å; T98-F102 PolarHBondContact O-N 3.23Å
99Q98.1Very high97.1Very high18 Ų1831.8 Ų31.88%0.08416%0.155CC..Hα-helixtrans-58.2-45.5178-64.7179.512.300111L93 Q95 L101 F102 F103 V188 L192L93-Q99 HydrophobicContact CB-CG 3.73Å; L93-Q99 PolarHBondContact O-NE2 3.42Å; Q95-Q99 PolarHBondContact O-N 2.84Å; Q99-L101 PolarHBondContact O-N 2.8Å; Q99-F102 PolarHBondContact O-N 2.9Å; Q99-F103 WeakPolarHBondContact O-CB 3.16Å; Q99-F103 PolarHBondContact O-N 2.91Å; Q99-V188 HydrophobicContact CB-CG1 3.67Å; Q99-L192 HydrophobicContact CB-CD1 4.36Å; Q99-L192 WeakPolarHBondContact O-CD1 3.27Å
100R97.5Very high97.2Very high102 Ų10232 Ų3239%0.38516%0.156SC..Hα-helixtrans-66.1-37.9179.5-175.7169.5158.7-78.50.3113D13 D96 I97 T98 F103 L104D13-R100 IonicContact OD2-CZ 3.41Å; D13-R100 IonicContact OD2-NH1 2.78Å; D13-R100 PolarHBondContact OD2-NH1 2.86Å; D13-R100 IonicContact OD2-NH2 2.66Å; D13-R100 PolarHBondContact OD2-NH2 2.73Å; D96-R100 WeakPolarHBondContact O-CB 3.31Å; D96-R100 PolarHBondContact O-N 2.78Å; I97-R100 PolarHBondContact O-N 2.98Å; T98-R100 VanDerWaalsContact C-N 3.34Å; T98-R100 PolarHBondContact O-N 3.46Å; R100-F103 PolarHBondContact O-N 2.84Å; R100-L104 HydrophobicContact CG-CD1 4.31Å; R100-L104 VanDerWaalsContact O-CG 3.31Å; R100-L104 WeakPolarHBondContact O-CG 3.42Å; R100-L104 PolarHBondContact O-N 3.06Å
101L98.4Very high97.4Very high3 Ų331.5 Ų31.52%0.01615%0.15CC..Hα-helixtrans-66.3-42.5174.3-72.9171.1000111.7M12 I37 F45 F80 I97 T98 Q99 Q105M12-L101 HydrophobicContact CB-CD2 4.02Å; M12-L101 HydrophobicContact CG-CD2 4.23Å; I37-L101 HydrophobicContact CD1-CD1 4.15Å; F45-L101 HydrophobicContact CE1-CB 3.95Å; F45-L101 HydrophobicContact CE1-CD1 4.19Å; F45-L101 HydrophobicContact CZ-CB 4.12Å; F45-L101 HydrophobicContact CZ-CD1 4.28Å; F80-L101 HydrophobicContact CE1-CD1 4.18Å; I97-L101 HydrophobicContact CD1-CD1 4.23Å; I97-L101 HydrophobicContact CD1-CG 4.16Å; I97-L101 HydrophobicContact CG1-CD1 4.07Å; I97-L101 HydrophobicContact CG1-CG 4.45Å; I97-L101 WeakPolarHBondContact O-CB 3.21Å; I97-L101 VanDerWaalsContact O-CG 3.24Å; I97-L101 WeakPolarHBondContact O-CG 3.38Å; I97-L101 PolarHBondContact O-N 2.99Å; T98-L101 PolarHBondContact O-N 2.73Å; Q99-L101 PolarHBondContact O-N 2.8Å; L101-Q105 PolarHBondContact O-N 3.41Å; L101-Q105 VanDerWaalsContact O-N 3.09Å
102F98.6Very high97.7Very high0 Ų030.1 Ų30.10%015%0.147CC..Hα-helixtrans-61.8-48.4172.6-95.2-78.8000111.8F44 F45 A82 F84 Y85 L93 T98 Q99 L104 Q105 V106 L192F44-F102 HydrophobicContact CB-CE2 3.77Å; F44-F102 HydrophobicContact CB-CZ 3.8Å; F44-F102 HydrophobicContact CD1-CE2 4.4Å; F44-F102 HydrophobicContact CD1-CZ 4.08Å; F44-F102 HydrophobicContact CD2-CE2 4.02Å; F44-F102 AromaticContact CG-CE2 3.82Å; F44-F102 HydrophobicContact CG-CE2 3.82Å; F44-F102 AromaticContact CG-CZ 3.89Å; F44-F102 HydrophobicContact CG-CZ 3.89Å; F45-F102 HydrophobicContact CE2-CE2 4.22Å; F45-F102 AromaticContact CZ-CD2 3.97Å; F45-F102 HydrophobicContact CZ-CD2 3.97Å; F45-F102 AromaticContact CZ-CE2 3.9Å; F45-F102 HydrophobicContact CZ-CE2 3.9Å; A82-F102 HydrophobicContact CB-CD1 4.09Å; A82-F102 HydrophobicContact CB-CE1 3.64Å; A82-F102 HydrophobicContact CB-CE2 4.29Å; A82-F102 HydrophobicContact CB-CZ 3.76Å; F84-F102 WeakPolarHBondContact O-CZ 3.46Å; Y85-F102 HydrophobicContact CD1-CD1 4.25Å; Y85-F102 AromaticContact CD1-CE1 3.81Å; Y85-F102 HydrophobicContact CD1-CE1 3.81Å; Y85-F102 HydrophobicContact CE1-CD1 4.28Å; Y85-F102 HydrophobicContact CE1-CE1 4.14Å; Y85-F102 HydrophobicContact CG-CE1 4.07Å; L93-F102 HydrophobicContact CD1-CB 4.13Å; L93-F102 HydrophobicContact CD1-CD2 3.8Å; L93-F102 HydrophobicContact CD1-CE2 4.36Å; L93-F102 HydrophobicContact CD1-CG 3.98Å; L93-F102 HydrophobicContact CD2-CD2 3.91Å; L93-F102 HydrophobicContact CD2-CE2 3.7Å; L93-F102 HydrophobicContact CD2-CZ 4.38Å; T98-F102 HydrophobicContact CG2-CD2 4Å; T98-F102 HydrophobicContact CG2-CE2 4.18Å; T98-F102 WeakPolarHBondContact O-CD2 3.31Å; T98-F102 PolarHBondContact O-N 3.23Å; Q99-F102 PolarHBondContact O-N 2.9Å; F102-L104 VanDerWaalsContact C-N 3.35Å; F102-L104 PolarHBondContact O-N 2.64Å; F102-Q105 PolarHBondContact O-N 2.85Å; F102-V106 WeakPolarHBondContact O-CB 3.47Å; F102-V106 VanDerWaalsContact O-CG2 3.23Å; F102-V106 WeakPolarHBondContact O-CG2 3.36Å; F102-V106 PolarHBondContact O-N 2.91Å; F102-L192 HydrophobicContact CB-CD1 3.88Å; F102-L192 HydrophobicContact CB-CD2 4.06Å
103F98.6Very high97.7Very high13 Ų1331.1 Ų31.16%0.05715%0.153CC..Hα-helixtrans-54.6-48.7178155.3-105.4000111.7Q99 R100 V106 K107 A129 V188 Y191 L192Q99-F103 WeakPolarHBondContact O-CB 3.16Å; Q99-F103 PolarHBondContact O-N 2.91Å; R100-F103 PolarHBondContact O-N 2.84Å; F103-V106 PolarHBondContact O-N 2.81Å; F103-K107 HydrophobicContact CE2-CD 4.34Å; F103-K107 HydrophobicContact CZ-CD 4.16Å; F103-K107 WeakPolarHBondContact O-CB 3.48Å; F103-K107 PolarHBondContact O-N 3.03Å; F103-A129 HydrophobicContact CE2-CB 3.91Å; F103-A129 HydrophobicContact CZ-CB 3.87Å; F103-V188 HydrophobicContact CB-CG1 3.98Å; F103-V188 HydrophobicContact CB-CG2 4.16Å; F103-V188 HydrophobicContact CD1-CG2 3.74Å; F103-V188 HydrophobicContact CD2-CG2 4.23Å; F103-V188 HydrophobicContact CE1-CG2 4.15Å; F103-V188 HydrophobicContact CG-CG1 4.49Å; F103-V188 HydrophobicContact CG-CG2 3.79Å; F103-Y191 AromaticContact CD2-CD1 3.56Å; F103-Y191 HydrophobicContact CD2-CD1 3.56Å; F103-Y191 AromaticContact CD2-CD2 3.95Å; F103-Y191 HydrophobicContact CD2-CD2 3.95Å; F103-Y191 AromaticContact CD2-CE1 3.97Å; F103-Y191 HydrophobicContact CD2-CE1 3.97Å; F103-Y191 HydrophobicContact CD2-CE2 4.32Å; F103-Y191 AromaticContact CD2-CG 3.58Å; F103-Y191 HydrophobicContact CD2-CG 3.58Å; F103-Y191 HydrophobicContact CE2-CD1 4.07Å; F103-Y191 AromaticContact CE2-CD2 3.6Å; F103-Y191 HydrophobicContact CE2-CD2 3.6Å; F103-Y191 HydrophobicContact CE2-CE1 4.31Å; F103-Y191 AromaticContact CE2-CE2 3.86Å; F103-Y191 HydrophobicContact CE2-CE2 3.86Å; F103-Y191 AromaticContact CE2-CG 3.74Å; F103-Y191 HydrophobicContact CE2-CG 3.74Å; F103-L192 HydrophobicContact CB-CD1 4.35Å; F103-L192 HydrophobicContact CB-CG 4.27Å
104L98.4Very high97.7Very high40 Ų4036.1 Ų36.121%0.20918%0.18CC..Hα-helixtrans-66-39.9179.4-68.6172.2000112.2M12 D13 R100 F102 E108M12-L104 HydrophobicContact CB-CB 3.61Å; M12-L104 HydrophobicContact CB-CD1 3.83Å; M12-L104 HydrophobicContact CB-CG 4.39Å; M12-L104 HydrophobicContact CE-CB 4.06Å; M12-L104 WeakPolarHBondContact CE-O 3.4Å; M12-L104 HydrophobicContact CG-CB 4.03Å; D13-L104 HydrophobicContact CB-CD1 3.79Å; R100-L104 HydrophobicContact CG-CD1 4.31Å; R100-L104 VanDerWaalsContact O-CG 3.31Å; R100-L104 WeakPolarHBondContact O-CG 3.42Å; R100-L104 PolarHBondContact O-N 3.06Å; F102-L104 VanDerWaalsContact C-N 3.35Å; F102-L104 PolarHBondContact O-N 2.64Å; L104-E108 WeakPolarHBondContact O-CB 3.21Å; L104-E108 PolarHBondContact O-N 3.05Å
105Q98.4Very high97.7Very high24 Ų2435.8 Ų35.811%0.11218%0.178CC..Hα-helixtrans-68.6-40.6177.8-177.6168.7-50.200112.4M12 R81 A82 Y85 L101 F102 E108 G109M12-Q105 HydrophobicContact CE-CB 4.35Å; M12-Q105 HydrophobicContact CG-CB 4.21Å; M12-Q105 HydrophobicContact SD-CB 3.75Å; M12-Q105 HydrophobicContact SD-CG 4.3Å; R81-Q105 VanDerWaalsContact CA-OE1 3.3Å; A82-Q105 PolarHBondContact O-NE2 3.21Å; Y85-Q105 PolarHBondContact OH-NE2 3.06Å; L101-Q105 PolarHBondContact O-N 3.41Å; L101-Q105 VanDerWaalsContact O-N 3.09Å; F102-Q105 PolarHBondContact O-N 2.85Å; Q105-E108 PolarHBondContact O-N 2.77Å; Q105-G109 PolarHBondContact O-N 3.38Å
106V98.7Very high97.8Very high0 Ų035 Ų350%017%0.174CC..Hα-helixtrans-68.2-40.2176.9174.20000110.3Y85 F102 F103 G109 I110 I115 Y191 L192 A195 Y201Y85-V106 HydrophobicContact CE1-CG2 4Å; F102-V106 WeakPolarHBondContact O-CB 3.47Å; F102-V106 VanDerWaalsContact O-CG2 3.23Å; F102-V106 WeakPolarHBondContact O-CG2 3.36Å; F102-V106 PolarHBondContact O-N 2.91Å; F103-V106 PolarHBondContact O-N 2.81Å; V106-G109 PolarHBondContact O-N 2.9Å; V106-I110 HydrophobicContact CG1-CD1 3.92Å; V106-I110 WeakPolarHBondContact O-CG1 3.42Å; V106-I110 PolarHBondContact O-N 3.26Å; V106-I115 HydrophobicContact CG1-CD1 4.35Å; V106-Y191 HydrophobicContact CG1-CE1 4.21Å; V106-L192 HydrophobicContact CB-CD2 4.26Å; V106-L192 HydrophobicContact CG2-CD2 3.99Å; V106-A195 HydrophobicContact CG1-CB 3.59Å; V106-Y201 HydrophobicContact CG1-CD2 4.19Å; V106-Y201 HydrophobicContact CG1-CE2 4.15Å; V106-Y201 HydrophobicContact CG2-CD2 4.23Å; V106-Y201 HydrophobicContact CG2-CE2 3.68Å
107K98.6Very high97.9Very high31 Ų3132 Ų3214%0.13516%0.158CC..Hα-helixtrans-63.1-42.7172.3-176.2175.5174.3-177.70112.1F103 I110 L111 A129 K151 Y191F103-K107 HydrophobicContact CE2-CD 4.34Å; F103-K107 HydrophobicContact CZ-CD 4.16Å; F103-K107 WeakPolarHBondContact O-CB 3.48Å; F103-K107 PolarHBondContact O-N 3.03Å; K107-I110 PolarHBondContact O-N 3.12Å; K107-L111 HydrophobicContact CG-CD1 3.86Å; K107-L111 HydrophobicContact CG-CG 4.26Å; K107-L111 WeakPolarHBondContact O-CB 3.47Å; K107-L111 WeakPolarHBondContact O-CG 3.32Å; K107-L111 PolarHBondContact O-N 2.84Å; K107-A129 HydrophobicContact CD-CB 4.34Å; K107-K151 WeakPolarHBondContact CE-O 3.4Å; K107-K151 PolarHBondContact NZ-O 2.88Å; K107-K151 VanDerWaalsContact NZ-O 3.07Å; K107-Y191 WeakPolarHBondContact CA-OH 3.38Å; K107-Y191 HydrophobicContact CB-CE1 4.4Å; K107-Y191 WeakPolarHBondContact CB-OH 3.44Å
108E98.2Very high97.9Very high78 Ų7830.4 Ų30.436%0.36415%0.15SC..Hα-helixtrans-56.8-48.6172.4177.116676.600110.5M12 R81 L104 Q105 L111 N112M12-E108 HydrophobicContact CE-CB 4.01Å; M12-E108 HydrophobicContact CE-CG 4.5Å; M12-E108 WeakPolarHBondContact CE-OE1 3.47Å; R81-E108 IonicContact CZ-OE1 3.58Å; R81-E108 IonicContact NE-OE1 3.99Å; R81-E108 PolarHBondContact NE-OE1 3.28Å; R81-E108 IonicContact NH2-OE1 2.75Å; R81-E108 PolarHBondContact NH2-OE1 3.35Å; R81-E108 IonicContact NH2-OE2 3.84Å; L104-E108 WeakPolarHBondContact O-CB 3.21Å; L104-E108 PolarHBondContact O-N 3.05Å; Q105-E108 PolarHBondContact O-N 2.77Å; E108-L111 PolarHBondContact O-N 2.9Å; E108-N112 WeakPolarHBondContact O-CB 3.49Å; E108-N112 PolarHBondContact O-N 3Å; E108-N112 VanDerWaalsContact O-N 3.13Å; E108-N112 PolarHBondContact O-ND2 3.13Å; E108-N112 VanDerWaalsContact O-ND2 3.16Å
109G98.2Very high97.8Very high8 Ų830.6 Ų30.68%0.08215%0.152CC..Hα-helixtrans-64.7-38.2178.500000114.8Q105 V106 D113 D114 I115Q105-G109 PolarHBondContact O-N 3.38Å; V106-G109 PolarHBondContact O-N 2.9Å; G109-D113 PolarHBondContact O-N 2.91Å; G109-D114 WeakPolarHBondContact O-CB 3.35Å; G109-D114 PolarHBondContact O-N 3.46Å; G109-I115 PolarHBondContact O-N 3.39Å
110I98.7Very high97.7Very high5 Ų531 Ų313%0.02615%0.154CC..Hα-helixtrans-69.2-45.8176.2-71.1171.1000110.8V106 K107 N112 D113 I115 C117 L125 P154 A195 L198V106-I110 HydrophobicContact CG1-CD1 3.92Å; V106-I110 WeakPolarHBondContact O-CG1 3.42Å; V106-I110 PolarHBondContact O-N 3.26Å; K107-I110 PolarHBondContact O-N 3.12Å; I110-N112 PolarHBondContact O-N 2.68Å; I110-D113 PolarHBondContact O-N 2.99Å; I110-D113 VanDerWaalsContact O-N 3.07Å; I110-I115 HydrophobicContact CG1-CB 3.85Å; I110-I115 HydrophobicContact CG1-CD1 4.48Å; I110-I115 HydrophobicContact CG1-CG2 3.93Å; I110-C117 HydrophobicContact CG2-CB 3.79Å; I110-L125 HydrophobicContact CD1-CD1 3.77Å; I110-P154 HydrophobicContact CG2-CG 3.99Å; I110-P154 WeakPolarHBondContact O-CG 3.45Å; I110-A195 HydrophobicContact CD1-CB 4.24Å; I110-L198 HydrophobicContact CD1-CD1 3.7Å; I110-L198 HydrophobicContact CG1-CD1 4.2Å
111L98.3Very high97.7Very high36 Ų3627.1 Ų27.119%0.18814%0.141CC..Hα-helixtrans-64.2-28.6-179.4-71.4174.1000113.4K107 E108 K151 L153K107-L111 HydrophobicContact CG-CD1 3.86Å; K107-L111 HydrophobicContact CG-CG 4.26Å; K107-L111 WeakPolarHBondContact O-CB 3.47Å; K107-L111 WeakPolarHBondContact O-CG 3.32Å; K107-L111 PolarHBondContact O-N 2.84Å; E108-L111 PolarHBondContact O-N 2.9Å; L111-K151 HydrophobicContact CD1-CB 3.97Å; L111-L153 VanDerWaalsContact CD2-C 3.48Å; L111-L153 WeakPolarHBondContact CD2-O 3.33Å
112N97.1Very high97.6Very high99 Ų9927.1 Ų27.153%0.52914%0.141SC..THydrogen-bonded Turntrans-87.4-1.1176.5-64.4-20.8000113.6E108 I110 D114E108-N112 WeakPolarHBondContact O-CB 3.49Å; E108-N112 PolarHBondContact O-N 3Å; E108-N112 VanDerWaalsContact O-N 3.13Å; E108-N112 PolarHBondContact O-ND2 3.13Å; E108-N112 VanDerWaalsContact O-ND2 3.16Å; I110-N112 PolarHBondContact O-N 2.68Å; N112-D114 PolarHBondContact O-N 3.01Å
113D95.9Very high97.6Very high50 Ų5027.1 Ų27.127%0.26714%0.141SC..THydrogen-bonded Turntrans57.621.3-170-75.4-70.2000114.4G109 I110 I115 R156G109-D113 PolarHBondContact O-N 2.91Å; I110-D113 PolarHBondContact O-N 2.99Å; I110-D113 VanDerWaalsContact O-N 3.07Å; D113-I115 VanDerWaalsContact C-N 3.29Å; D113-R156 IonicContact OD1-CZ 2.73Å; D113-R156 IonicContact OD1-NE 3.58Å; D113-R156 PolarHBondContact OD1-NE 3.37Å; D113-R156 IonicContact OD1-NH2 2.59Å; D113-R156 PolarHBondContact OD1-NH2 2.9Å; D113-R156 VanDerWaalsContact OD2-CB 3.22Å; D113-R156 WeakPolarHBondContact OD2-CB 3.3Å; D113-R156 IonicContact OD2-NE 2.87Å
114D96Very high97.5Very high108 Ų10826.5 Ų26.558%0.57814%0.139SC*.SBendtrans-66.8-33.6165.5-73.6-58.1000110.9G109 N112 M200G109-D114 WeakPolarHBondContact O-CB 3.35Å; G109-D114 PolarHBondContact O-N 3.46Å; N112-D114 PolarHBondContact O-N 3.01Å; D114-M200 WeakPolarHBondContact O-CE 3.47Å
115I98Very high97.5Very high12 Ų1224.7 Ų24.76%0.06213%0.129CC..SBendtrans-113.3111.6170.1-57.6174.2000107.2V106 G109 I110 D113 C117 L198 M200V106-I115 HydrophobicContact CG1-CD1 4.35Å; G109-I115 PolarHBondContact O-N 3.39Å; I110-I115 HydrophobicContact CG1-CB 3.85Å; I110-I115 HydrophobicContact CG1-CD1 4.48Å; I110-I115 HydrophobicContact CG1-CG2 3.93Å; D113-I115 VanDerWaalsContact C-N 3.29Å; I115-C117 PolarHBondContact O-N 2.84Å; I115-L198 HydrophobicContact CG2-CB 4.11Å; I115-L198 HydrophobicContact CG2-CD1 3.82Å; I115-M200 HydrophobicContact CG2-CB 4.23Å
116Y97.9Very high97.5Very high4 Ų423.6 Ų23.62%0.01613%0.125CC..  trans-60.2135173.6178.6-99000110.9P118 R156 M200 L234 N541 D542 H545Y116-P118 HydrophobicContact CE1-CB 4.41Å; Y116-R156 VanDerWaalsContact CE2-NH1 3.28Å; Y116-M200 VanDerWaalsContact CB-SD 3.6Å; Y116-M200 PolarHBondContact N-SD 2.87Å; Y116-M200 VanDerWaalsContact N-SD 3.41Å; Y116-L234 HydrophobicContact CD1-CD1 4.06Å; Y116-L234 HydrophobicContact CD1-CD2 4.08Å; Y116-L234 HydrophobicContact CE1-CD1 4.41Å; Y116-L234 HydrophobicContact CG-CD1 4.41Å; Y116-L234 HydrophobicContact CG-CD2 4.18Å; Y116-N541 HydrophobicContact CD2-CB 3.48Å; Y116-N541 VanDerWaalsContact CD2-CB 3.48Å; Y116-N541 HydrophobicContact CE2-CB 3.71Å; Y116-N541 HydrophobicContact CG-CB 4.04Å; Y116-D542 WeakPolarHBondContact CE2-OD1 3.13Å; Y116-D542 PolarHBondContact OH-OD1 3.45Å; Y116-H545 HydrophobicContact CE1-CB 3.67Å; Y116-H545 AromaticContact CE1-CG 3.67Å
117C98Very high97.5Very high0 Ų023.6 Ų23.60%013%0.125CC..  trans-140.4127.6175.5-173.50000109.3I110 I115 R156 L198I110-C117 HydrophobicContact CG2-CB 3.79Å; I115-C117 PolarHBondContact O-N 2.84Å; C117-R156 PolarHBondContact O-NH1 3.37Å; C117-R156 PolarHBondContact O-NH2 3Å; C117-L198 HydrophobicContact CB-CD1 4.03Å; C117-L198 HydrophobicContact CB-CD2 4.45Å
118P96.4Very high97.5Very high7 Ų722.9 Ų22.95%0.04512%0.121CC..  trans-70.9151.6178.730.1-34.7000111.2Y116 E120 T121 A122Y116-P118 HydrophobicContact CE1-CB 4.41Å; P118-E120 PolarHBondContact O-N 3Å; P118-T121 PolarHBondContact O-N 2.83Å; P118-T121 VanDerWaalsContact O-N 3.14Å; P118-A122 PolarHBondContact O-N 3.06Å
119P96.5Very high97.5Very high4 Ų419.4 Ų19.43%0.02611%0.106CC..Hα-helixtrans-51.6-44.5-170.7-30.637.5000116A122 V123 V157 H161 L529P119-A122 WeakPolarHBondContact O-CB 3.45Å; P119-A122 PolarHBondContact O-N 2.7Å; P119-V123 PolarHBondContact O-N 3.43Å; P119-V157 HydrophobicContact CB-CG1 3.94Å; P119-V157 HydrophobicContact CG-CG1 4.4Å; P119-V157 HydrophobicContact CG-CG2 4.43Å; P119-H161 VanDerWaalsContact CG-CE1 3.48Å; P119-H161 WeakPolarHBondContact CG-CE1 3.35Å; P119-L529 HydrophobicContact CB-CD1 3.75Å
120E95.4Very high97.5Very high27 Ų2719 Ų1913%0.12610%0.102CC..Hα-helixtrans-65-41.418056.7-89.5-117.300112.1P118 V123 L124 L522 L525 T526P118-E120 PolarHBondContact O-N 3Å; E120-V123 PolarHBondContact O-N 3.12Å; E120-L124 PolarHBondContact O-N 2.87Å; E120-L124 VanDerWaalsContact O-N 3.08Å; E120-L522 HydrophobicContact CB-CD2 3.97Å; E120-L522 HydrophobicContact CG-CD2 4.12Å; E120-L525 HydrophobicContact CB-CB 4.35Å; E120-L525 HydrophobicContact CB-CD2 4.05Å; E120-L525 HydrophobicContact CB-CG 4.12Å; E120-T526 WeakPolarHBondContact OE1-CB 3.39Å; E120-T526 WeakPolarHBondContact OE1-CG2 3.49Å; E120-T526 PolarHBondContact OE1-OG1 3.23Å
121T96.8Very high97.5Very high21 Ų2118.9 Ų18.913%0.12910%0.101CC..Hα-helixtrans-71.2-33.8175.1-56.40000110.9P118 V123 L124 L125 I194 L198P118-T121 PolarHBondContact O-N 2.83Å; P118-T121 VanDerWaalsContact O-N 3.14Å; T121-V123 VanDerWaalsContact C-N 3.34Å; T121-V123 PolarHBondContact O-N 3.35Å; T121-L124 PolarHBondContact O-N 3.44Å; T121-L125 HydrophobicContact CG2-CD1 4.07Å; T121-L125 HydrophobicContact CG2-CG 4.23Å; T121-L125 VanDerWaalsContact O-CB 3.3Å; T121-L125 WeakPolarHBondContact O-CB 3.08Å; T121-L125 VanDerWaalsContact O-CG 3.26Å; T121-L125 WeakPolarHBondContact O-CG 3.28Å; T121-L125 PolarHBondContact O-N 3.07Å; T121-I194 HydrophobicContact CG2-CG2 3.74Å; T121-L198 HydrophobicContact CG2-CD2 4.44Å
122A98.1Very high97.4Very high2 Ų217.8 Ų17.82%0.01710%0.097CC..Hα-helixtrans-63.7-38.1174.200000112.1P118 P119 A126 L153 V157P118-A122 PolarHBondContact O-N 3.06Å; P119-A122 WeakPolarHBondContact O-CB 3.45Å; P119-A122 PolarHBondContact O-N 2.7Å; A122-A126 VanDerWaalsContact O-CB 3.23Å; A122-A126 WeakPolarHBondContact O-CB 3.36Å; A122-A126 PolarHBondContact O-N 2.88Å; A122-L153 HydrophobicContact CB-CD2 3.91Å; A122-L153 WeakPolarHBondContact O-CD2 3.36Å; A122-V157 HydrophobicContact CB-CG2 4.33Å
123V97.8Very high97.4Very high0 Ų017.6 Ų17.60%09%0.091CC..Hα-helixtrans-67-44.1172.6171.10000111.7P119 E120 T121 A126 S127 L153 W168 R171 I172 L525P119-V123 PolarHBondContact O-N 3.43Å; E120-V123 PolarHBondContact O-N 3.12Å; T121-V123 VanDerWaalsContact C-N 3.34Å; T121-V123 PolarHBondContact O-N 3.35Å; V123-A126 WeakPolarHBondContact O-CB 3.47Å; V123-A126 PolarHBondContact O-N 3.33Å; V123-S127 PolarHBondContact O-N 2.8Å; V123-L153 HydrophobicContact CG2-CD2 4.09Å; V123-W168 HydrophobicContact CG2-CE3 3.91Å; V123-W168 HydrophobicContact CG2-CZ3 3.63Å; V123-R171 HydrophobicContact CG1-CB 4.26Å; V123-I172 HydrophobicContact CG1-CG1 4.08Å; V123-L525 HydrophobicContact CB-CD2 3.8Å; V123-L525 HydrophobicContact CG1-CD2 3.78Å; V123-L525 HydrophobicContact CG2-CD2 4.31Å
124L97Very high97.4Very high0 Ų018.6 Ų18.60%09%0.092CC..Hα-helixtrans-61.2-48.3176.7179.656.8000111.2E120 T121 A126 S127 Y128 W175 I194 V518 L522E120-L124 PolarHBondContact O-N 2.87Å; E120-L124 VanDerWaalsContact O-N 3.08Å; T121-L124 PolarHBondContact O-N 3.44Å; L124-A126 VanDerWaalsContact C-N 3.34Å; L124-A126 PolarHBondContact O-N 2.72Å; L124-S127 PolarHBondContact O-N 2.78Å; L124-S127 VanDerWaalsContact O-N 3.14Å; L124-S127 PolarHBondContact O-OG 3.01Å; L124-Y128 HydrophobicContact CD1-CD2 4.21Å; L124-Y128 HydrophobicContact CD1-CE2 3.55Å; L124-Y128 HydrophobicContact CG-CD2 4.31Å; L124-Y128 HydrophobicContact CG-CE2 3.84Å; L124-Y128 VanDerWaalsContact O-CD2 3.26Å; L124-Y128 WeakPolarHBondContact O-CD2 3.43Å; L124-Y128 PolarHBondContact O-N 2.64Å; L124-W175 HydrophobicContact CD1-CD2 3.78Å; L124-W175 HydrophobicContact CD1-CE3 3.68Å; L124-W175 HydrophobicContact CD1-CG 4.44Å; L124-W175 HydrophobicContact CD1-CH2 3.79Å; L124-W175 HydrophobicContact CD1-CZ2 3.94Å; L124-W175 HydrophobicContact CD1-CZ3 3.7Å; L124-I194 HydrophobicContact CD2-CD1 3.85Å; L124-I194 HydrophobicContact CG-CD1 4.1Å; L124-V518 HydrophobicContact CD2-CG1 3.67Å; L124-L522 HydrophobicContact CB-CD2 4.19Å; L124-L522 HydrophobicContact CD2-CD1 4.14Å; L124-L522 HydrophobicContact CD2-CD2 3.97Å; L124-L522 HydrophobicContact CD2-CG 4.2Å
125L98.5Very high97.3Very high2 Ų214.2 Ų14.21%0.017%0.072CC..Hα-helixtrans-60.2-41173.8-72.6177.7000112.2I110 T121 S127 Y128 A129 Y191 I194 A195I110-L125 HydrophobicContact CD1-CD1 3.77Å; T121-L125 HydrophobicContact CG2-CD1 4.07Å; T121-L125 HydrophobicContact CG2-CG 4.23Å; T121-L125 VanDerWaalsContact O-CB 3.3Å; T121-L125 WeakPolarHBondContact O-CB 3.08Å; T121-L125 VanDerWaalsContact O-CG 3.26Å; T121-L125 WeakPolarHBondContact O-CG 3.28Å; T121-L125 PolarHBondContact O-N 3.07Å; L125-S127 VanDerWaalsContact C-N 3.29Å; L125-S127 PolarHBondContact O-N 2.69Å; L125-Y128 PolarHBondContact O-N 2.8Å; L125-A129 PolarHBondContact O-N 2.93Å; L125-Y191 HydrophobicContact CB-CD2 3.98Å; L125-Y191 HydrophobicContact CB-CE2 3.56Å; L125-Y191 HydrophobicContact CD2-CD1 4.01Å; L125-Y191 HydrophobicContact CD2-CD2 3.81Å; L125-Y191 HydrophobicContact CD2-CE1 4.18Å; L125-Y191 HydrophobicContact CD2-CE2 4.02Å; L125-Y191 HydrophobicContact CD2-CG 3.79Å; L125-Y191 VanDerWaalsContact CD2-O 3.25Å; L125-Y191 WeakPolarHBondContact CD2-O 3.41Å; L125-Y191 HydrophobicContact CG-CD2 4.5Å; L125-Y191 HydrophobicContact CG-CE2 4.29Å; L125-Y191 WeakPolarHBondContact O-CD2 3.46Å; L125-Y191 WeakPolarHBondContact O-CE2 3.44Å; L125-I194 HydrophobicContact CD2-CB 3.91Å; L125-I194 HydrophobicContact CD2-CG2 3.84Å; L125-I194 HydrophobicContact CG-CG2 4.21Å; L125-A195 HydrophobicContact CD1-CB 4.43Å; L125-A195 HydrophobicContact CD2-CB 4.32Å
126A98.5Very high97.1Very high2 Ų216.1 Ų16.12%0.0178%0.082CC..Hα-helixtrans-57.8-41.3173.800000112.2A122 V123 L124 Y128 A129 V130 L152 L153 I172A122-A126 VanDerWaalsContact O-CB 3.23Å; A122-A126 WeakPolarHBondContact O-CB 3.36Å; A122-A126 PolarHBondContact O-N 2.88Å; V123-A126 WeakPolarHBondContact O-CB 3.47Å; V123-A126 PolarHBondContact O-N 3.33Å; L124-A126 VanDerWaalsContact C-N 3.34Å; L124-A126 PolarHBondContact O-N 2.72Å; A126-Y128 PolarHBondContact O-N 2.82Å; A126-A129 PolarHBondContact O-N 3.19Å; A126-V130 VanDerWaalsContact O-CG2 3.3Å; A126-V130 WeakPolarHBondContact O-CG2 3.24Å; A126-V130 PolarHBondContact O-N 3.11Å; A126-L152 HydrophobicContact CB-CB 3.87Å; A126-L153 HydrophobicContact CB-CD2 4.05Å; A126-I172 HydrophobicContact CB-CD1 3.81Å; A126-I172 HydrophobicContact CB-CG1 3.91Å; A126-I172 HydrophobicContact CB-CG2 4.25Å
127S98Very high97Very high0 Ų016.2 Ų16.20%08%0.083CC..Hα-helixtrans-64.4-39.5179.375.50000113.5V123 L124 L125 V130 Q131 W175 H179V123-S127 PolarHBondContact O-N 2.8Å; L124-S127 PolarHBondContact O-N 2.78Å; L124-S127 VanDerWaalsContact O-N 3.14Å; L124-S127 PolarHBondContact O-OG 3.01Å; L125-S127 VanDerWaalsContact C-N 3.29Å; L125-S127 PolarHBondContact O-N 2.69Å; S127-V130 PolarHBondContact O-N 3.26Å; S127-Q131 PolarHBondContact O-N 3.3Å; S127-W175 VanDerWaalsContact OG-CB 3.32Å; S127-W175 WeakPolarHBondContact OG-CB 3.43Å; S127-H179 PolarHBondContact OG-NE2 2.88Å
128Y98.4Very high96.8Very high15 Ų1519.4 Ų19.46%0.05910%0.1CC..Hα-helixtrans-66.2-39.8172.6-73.4-66.9000112.1L124 L125 A126 V130 Q131 S132 H179 M182 A187 E190 I194L124-Y128 HydrophobicContact CD1-CD2 4.21Å; L124-Y128 HydrophobicContact CD1-CE2 3.55Å; L124-Y128 HydrophobicContact CG-CD2 4.31Å; L124-Y128 HydrophobicContact CG-CE2 3.84Å; L124-Y128 VanDerWaalsContact O-CD2 3.26Å; L124-Y128 WeakPolarHBondContact O-CD2 3.43Å; L124-Y128 PolarHBondContact O-N 2.64Å; L125-Y128 PolarHBondContact O-N 2.8Å; A126-Y128 PolarHBondContact O-N 2.82Å; Y128-V130 PolarHBondContact O-N 2.85Å; Y128-Q131 PolarHBondContact O-N 2.91Å; Y128-S132 VanDerWaalsContact O-CB 3.31Å; Y128-S132 WeakPolarHBondContact O-CB 3.16Å; Y128-S132 PolarHBondContact O-N 2.95Å; Y128-H179 AromaticContact CD1-CE1 3.85Å; Y128-H179 AromaticContact CD1-NE2 3.77Å; Y128-H179 AromaticContact CE1-CE1 3.29Å; Y128-H179 WeakPolarHBondContact CE1-CE1 3.4Å; Y128-H179 AromaticContact CE1-ND1 3.65Å; Y128-H179 AromaticContact CE1-NE2 3.69Å; Y128-H179 AromaticContact CE2-CE1 3.97Å; Y128-H179 AromaticContact CZ-CE1 3.36Å; Y128-H179 AromaticContact CZ-NE2 3.89Å; Y128-M182 HydrophobicContact CD1-SD 3.95Å; Y128-M182 HydrophobicContact CE1-CE 3.95Å; Y128-M182 HydrophobicContact CE1-SD 3.75Å; Y128-A187 HydrophobicContact CD1-CB 4.38Å; Y128-E190 HydrophobicContact CD1-CB 3.87Å; Y128-E190 HydrophobicContact CE1-CB 3.55Å; Y128-E190 HydrophobicContact CE1-CG 4.18Å; Y128-E190 HydrophobicContact CE2-CB 4.48Å; Y128-E190 HydrophobicContact CG-CB 4.46Å; Y128-I194 HydrophobicContact CD2-CD1 4.08Å; Y128-I194 HydrophobicContact CE2-CD1 3.43Å; Y128-I194 VanDerWaalsContact CE2-CD1 3.43Å
129A98.5Very high96.7Very high5 Ų527.2 Ų27.24%0.04113%0.133CC..Hα-helixtrans-64.7-27.8173.900000112.8F103 K107 L125 A126 K133 L152 Y191F103-A129 HydrophobicContact CE2-CB 3.91Å; F103-A129 HydrophobicContact CZ-CB 3.87Å; K107-A129 HydrophobicContact CD-CB 4.34Å; L125-A129 PolarHBondContact O-N 2.93Å; A126-A129 PolarHBondContact O-N 3.19Å; A129-K133 WeakPolarHBondContact O-CB 3.36Å; A129-K133 PolarHBondContact O-N 3.46Å; A129-L152 HydrophobicContact CB-CD2 4.47Å; A129-Y191 HydrophobicContact CB-CD2 4.23Å; A129-Y191 HydrophobicContact CB-CE2 4.09Å
130V98.4Very high96.5Very high1 Ų134.2 Ų34.21%0.00617%0.165CC..Hα-helixtrans-76.7-50.3174.6167.10000111.1A126 S127 Y128 S132 K133 Y134 Y146 L147 L152 I172 H176A126-V130 VanDerWaalsContact O-CG2 3.3Å; A126-V130 WeakPolarHBondContact O-CG2 3.24Å; A126-V130 PolarHBondContact O-N 3.11Å; S127-V130 PolarHBondContact O-N 3.26Å; Y128-V130 PolarHBondContact O-N 2.85Å; V130-S132 VanDerWaalsContact C-N 3.27Å; V130-S132 PolarHBondContact O-N 3.09Å; V130-K133 PolarHBondContact O-N 2.95Å; V130-Y134 HydrophobicContact CG1-CD2 3.95Å; V130-Y134 PolarHBondContact O-N 2.73Å; V130-Y146 HydrophobicContact CG1-CE2 4.27Å; V130-L147 HydrophobicContact CG1-CD2 3.96Å; V130-L147 HydrophobicContact CG2-CD1 3.87Å; V130-L147 HydrophobicContact CG2-CD2 3.66Å; V130-L147 HydrophobicContact CG2-CG 4.45Å; V130-L152 HydrophobicContact CG2-CD1 3.65Å; V130-L152 HydrophobicContact CG2-CD2 3.95Å; V130-L152 HydrophobicContact CG2-CG 4.49Å; V130-I172 HydrophobicContact CB-CG2 4.46Å; V130-I172 HydrophobicContact CG2-CG2 3.93Å; V130-H176 HydrophobicContact CG1-CB 4.15Å; V130-H176 VanDerWaalsContact CG1-CE1 3.43Å; V130-H176 WeakPolarHBondContact CG1-CE1 3.37Å; V130-H176 WeakPolarHBondContact CG1-ND1 3.47Å
131Q97.9Very high96.3Very high1 Ų137.6 Ų37.61%0.00519%0.188CC..Hα-helixtrans-54.9-43.7173177.371.920.200111S127 Y128 K133 G135 D136 H179 M182 A187S127-Q131 PolarHBondContact O-N 3.3Å; Y128-Q131 PolarHBondContact O-N 2.91Å; Q131-K133 VanDerWaalsContact C-N 3.31Å; Q131-K133 PolarHBondContact O-N 3.12Å; Q131-G135 VanDerWaalsContact O-CA 3.3Å; Q131-G135 WeakPolarHBondContact O-CA 3.39Å; Q131-G135 PolarHBondContact O-N 2.62Å; Q131-G135 PolarHBondContact OE1-O 2.96Å; Q131-D136 PolarHBondContact NE2-OD1 2.87Å; Q131-H179 HydrophobicContact CB-CB 4.08Å; Q131-H179 HydrophobicContact CG-CB 3.82Å; Q131-H179 PolarHBondContact NE2-O 3.13Å; Q131-M182 HydrophobicContact CG-CB 4.28Å; Q131-M182 PolarHBondContact NE2-O 3.21Å; Q131-A187 HydrophobicContact CB-CB 4.13Å; Q131-A187 HydrophobicContact CG-CB 3.87Å
132S97Very high96.2Very high14 Ų1437.4 Ų37.410%0.09819%0.185CC..Hα-helixtrans-66.5-28.7177-172.70000113.6Y128 V130 R184 V188Y128-S132 VanDerWaalsContact O-CB 3.31Å; Y128-S132 WeakPolarHBondContact O-CB 3.16Å; Y128-S132 PolarHBondContact O-N 2.95Å; V130-S132 VanDerWaalsContact C-N 3.27Å; V130-S132 PolarHBondContact O-N 3.09Å; S132-R184 WeakPolarHBondContact CB-O 3.47Å; S132-R184 PolarHBondContact O-NE 3.45Å; S132-R184 PolarHBondContact O-NH2 3.45Å; S132-R184 PolarHBondContact OG-O 3.22Å; S132-V188 VanDerWaalsContact OG-CG2 3.32Å; S132-V188 WeakPolarHBondContact OG-CG2 3.47Å
133K96.2Very high96Very high94 Ų9444 Ų4441%0.40921%0.214SC..Hα-helixtrans-82.1-47.9177.3-177.2176.3172.9-168.90112.4A129 V130 Q131 D150 R184A129-K133 WeakPolarHBondContact O-CB 3.36Å; A129-K133 PolarHBondContact O-N 3.46Å; V130-K133 PolarHBondContact O-N 2.95Å; Q131-K133 VanDerWaalsContact C-N 3.31Å; Q131-K133 PolarHBondContact O-N 3.12Å; K133-D150 WeakPolarHBondContact CD-OD1 3.41Å; K133-D150 IonicContact NZ-OD1 3.81Å; K133-D150 PolarHBondContact NZ-OD1 3Å; K133-D150 IonicContact NZ-OD2 3.89Å; K133-D150 PolarHBondContact NZ-OD2 3.5Å; K133-R184 VanDerWaalsContact O-CZ 3.28Å; K133-R184 PolarHBondContact O-NH1 2.88Å; K133-R184 PolarHBondContact O-NH2 3.08Å
134Y96Very high95.7Very high72 Ų7248.9 Ų48.928%0.28225%0.248SC..Hα-helixtrans-104-17.6-167.3-65.8-76.8000114.3V130 Y146 L147 D150V130-Y134 HydrophobicContact CG1-CD2 3.95Å; V130-Y134 PolarHBondContact O-N 2.73Å; Y134-Y146 PolarHBondContact OH-O 3.08Å; Y134-L147 HydrophobicContact CD2-CD2 4.3Å; Y134-L147 HydrophobicContact CE2-CD2 3.65Å; Y134-D150 PolarHBondContact OH-OD2 2.73Å
135G94.6Very high95.5Very high16 Ų1650.6 Ų50.617%0.16527%0.265CS..  trans80.5-162.3-168.500000111.7Q131 H176Q131-G135 VanDerWaalsContact O-CA 3.3Å; Q131-G135 WeakPolarHBondContact O-CA 3.39Å; Q131-G135 PolarHBondContact O-N 2.62Å; Q131-G135 PolarHBondContact OE1-O 2.96Å; G135-H176 PolarHBondContact O-NE2 2.71Å
136D94.6Very high95.3Very high51 Ų5152 Ų5227%0.27327%0.27SS..SBendtrans-60.3141.5-179.9-67.6-5.9000112.4Q131 N138 R180 G181 R320Q131-D136 PolarHBondContact NE2-OD1 2.87Å; D136-N138 PolarHBondContact O-N 3.46Å; D136-R180 HydrophobicContact CB-CG 4.43Å; D136-G181 PolarHBondContact OD1-N 3.04Å; D136-G181 PolarHBondContact OD2-N 2.9Å; D136-R320 IonicContact OD1-CZ 3.65Å; D136-R320 IonicContact OD1-NH2 3.44Å; D136-R320 PolarHBondContact OD1-NH2 2.84Å; D136-R320 IonicContact OD2-NH2 2.98Å; D136-R320 PolarHBondContact OD2-NH2 3.25Å
137F95.8Very high95.2Very high7 Ų752.4 Ų52.43%0.03127%0.272CS..  trans-60.6128.7176.6-178-91.9000113.3K139 H142 Q173 H176 E177 R180F137-K139 HydrophobicContact CE1-CB 3.91Å; F137-K139 HydrophobicContact CZ-CB 4.42Å; F137-H142 HydrophobicContact CD2-CB 3.67Å; F137-H142 AromaticContact CD2-ND1 3.59Å; F137-H142 HydrophobicContact CE2-CB 3.38Å; F137-H142 HydrophobicContact CZ-CB 4.17Å; F137-Q173 HydrophobicContact CD2-CG 4.06Å; F137-Q173 HydrophobicContact CE2-CG 3.6Å; F137-Q173 HydrophobicContact CZ-CG 4.08Å; F137-Q173 VanDerWaalsContact CZ-NE2 3.33Å; F137-H176 AromaticContact CD2-CE1 3.82Å; F137-H176 AromaticContact CD2-ND1 3.65Å; F137-E177 HydrophobicContact CB-CG 3.91Å; F137-E177 HydrophobicContact CD1-CG 3.4Å; F137-E177 VanDerWaalsContact CD1-CG 3.4Å; F137-E177 HydrophobicContact CD2-CG 4.19Å; F137-E177 HydrophobicContact CE1-CG 3.88Å; F137-E177 HydrophobicContact CG-CG 3.57Å; F137-E177 HydrophobicContact CZ-CG 4.47Å; F137-R180 PolarHBondContact O-NH1 3.05Å; F137-R180 PolarHBondContact O-NH2 2.93Å
138N93Very high94.9Very high66 Ų6655.2 Ų55.235%0.35330%0.295SS..  trans-124.1119.7165.1-179.81.1000110.4D136 E140 V141 H142D136-N138 PolarHBondContact O-N 3.46Å; N138-E140 PolarHBondContact O-N 3.4Å; N138-E140 VanDerWaalsContact O-N 3.15Å; N138-E140 PolarHBondContact OD1-N 3.39Å; N138-V141 HydrophobicContact CB-CB 4.49Å; N138-V141 HydrophobicContact CB-CG2 4.41Å; N138-V141 PolarHBondContact O-N 3.43Å; N138-H142 PolarHBondContact N-ND1 2.96Å; N138-H142 WeakPolarHBondContact O-CB 3.31Å; N138-H142 PolarHBondContact O-N 3.33Å
139K93Very high94.5Very high171 Ų17158.2 Ų58.274%0.74333%0.331SS*.THydrogen-bonded Turntrans-57.4-25.1178.8-172.5171.9-179.31730114.5F137F137-K139 HydrophobicContact CE1-CB 3.91Å; F137-K139 HydrophobicContact CZ-CB 4.42Å
140E92.6Very high94.2Very high151 Ų15159.8 Ų59.871%0.70634%0.339SS*.THydrogen-bonded Turntrans-77.3-24.9178.1-59.6-179.213300113.1N138 K143N138-E140 PolarHBondContact O-N 3.4Å; N138-E140 VanDerWaalsContact O-N 3.15Å; N138-E140 PolarHBondContact OD1-N 3.39Å; E140-K143 WeakPolarHBondContact O-CE 3.18Å
141V92.5Very high94Very high99 Ų9967.8 Ų67.860%0.637%0.374SS*.THydrogen-bonded Turntrans-106.1-50-175.3-178.10000110.3N138 K143N138-V141 HydrophobicContact CB-CB 4.49Å; N138-V141 HydrophobicContact CB-CG2 4.41Å; N138-V141 PolarHBondContact O-N 3.43Å; V141-K143 VanDerWaalsContact C-N 3.26Å; V141-K143 PolarHBondContact O-N 2.94Å
142H94.9Very high94Very high17 Ų1768.7 Ų68.78%0.07938%0.378CS..SBendtrans-85.167.9179.9-55.9156.3000110.1F137 N138 Y146 H176F137-H142 HydrophobicContact CD2-CB 3.67Å; F137-H142 AromaticContact CD2-ND1 3.59Å; F137-H142 HydrophobicContact CE2-CB 3.38Å; F137-H142 HydrophobicContact CZ-CB 4.17Å; N138-H142 PolarHBondContact N-ND1 2.96Å; N138-H142 WeakPolarHBondContact O-CB 3.31Å; N138-H142 PolarHBondContact O-N 3.33Å; H142-Y146 HydrophobicContact CB-CD1 4.16Å; H142-Y146 HydrophobicContact CB-CD2 3.78Å; H142-Y146 HydrophobicContact CB-CE1 4.2Å; H142-Y146 HydrophobicContact CB-CE2 3.82Å; H142-Y146 HydrophobicContact CB-CG 3.96Å; H142-Y146 AromaticContact CD2-CD2 3.93Å; H142-Y146 AromaticContact CG-CD2 3.86Å; H142-Y146 AromaticContact CG-CE2 3.87Å; H142-H176 AromaticContact CE1-CE1 3.72Å; H142-H176 AromaticContact CE1-NE2 3.99Å; H142-H176 AromaticContact ND1-CE1 3.38Å; H142-H176 PolarHBondContact ND1-CE1 2.88Å; H142-H176 AromaticContact ND1-NE2 3.96Å
143K92.6Very high94Very high141 Ų14168.8 Ų68.861%0.61338%0.378SS*.  trans-78.7158.1172.1-58.6-178-170.5178.20109.9E140 V141 G145 Y146E140-K143 WeakPolarHBondContact O-CE 3.18Å; V141-K143 VanDerWaalsContact C-N 3.26Å; V141-K143 PolarHBondContact O-N 2.94Å; K143-G145 PolarHBondContact O-N 3.13Å; K143-Y146 WeakPolarHBondContact O-CB 3.44Å; K143-Y146 VanDerWaalsContact O-CD1 3.31Å; K143-Y146 WeakPolarHBondContact O-CD1 3.4Å; K143-Y146 PolarHBondContact O-N 3.43Å; K143-Y146 VanDerWaalsContact O-N 3.1Å
144S91.7Very high94.1Very high102 Ų10264.4 Ų64.471%0.71336%0.359SS*.THydrogen-bonded Turntrans-50.3132.2178.9-1750000112.2E169S144-E169 VanDerWaalsContact CA-OE1 3.27Å; S144-E169 WeakPolarHBondContact CA-OE1 3.48Å
145G92.9Very high94.1Very high35 Ų3566.2 Ų66.236%0.36137%0.37SS..THydrogen-bonded Turntrans97.6-3.5-171.900000114.7K143 L147 A148 E169K143-G145 PolarHBondContact O-N 3.13Å; G145-L147 PolarHBondContact O-N 3.25Å; G145-A148 WeakPolarHBondContact O-CB 3.36Å; G145-A148 PolarHBondContact O-N 3.47Å; G145-A148 VanDerWaalsContact O-N 3.08Å; G145-E169 VanDerWaalsContact C-OE2 3.29Å; G145-E169 WeakPolarHBondContact CA-OE2 3.37Å; G145-E169 PolarHBondContact N-OE1 2.82Å; G145-E169 PolarHBondContact N-OE2 2.87Å
146Y94.9Very high94.1Very high32 Ų3266.6 Ų66.613%0.12537%0.366CS..THydrogen-bonded Turntrans-64.3-23.3-177.177.5-70.2000114.4V130 Y134 H142 K143 E169 H176V130-Y146 HydrophobicContact CG1-CE2 4.27Å; Y134-Y146 PolarHBondContact OH-O 3.08Å; H142-Y146 HydrophobicContact CB-CD1 4.16Å; H142-Y146 HydrophobicContact CB-CD2 3.78Å; H142-Y146 HydrophobicContact CB-CE1 4.2Å; H142-Y146 HydrophobicContact CB-CE2 3.82Å; H142-Y146 HydrophobicContact CB-CG 3.96Å; H142-Y146 AromaticContact CD2-CD2 3.93Å; H142-Y146 AromaticContact CG-CD2 3.86Å; H142-Y146 AromaticContact CG-CE2 3.87Å; K143-Y146 WeakPolarHBondContact O-CB 3.44Å; K143-Y146 VanDerWaalsContact O-CD1 3.31Å; K143-Y146 WeakPolarHBondContact O-CD1 3.4Å; K143-Y146 PolarHBondContact O-N 3.43Å; K143-Y146 VanDerWaalsContact O-N 3.1Å; Y146-E169 HydrophobicContact CD1-CG 4.27Å; Y146-E169 HydrophobicContact CE1-CG 3.89Å; Y146-E169 PolarHBondContact N-OE2 3.03Å; Y146-H176 AromaticContact CE2-CE1 3.77Å; Y146-H176 AromaticContact CE2-ND1 3.82Å; Y146-H176 AromaticContact CZ-ND1 3.77Å; Y146-H176 PolarHBondContact OH-ND1 3.3Å
147L95.3Very high94.2Very high10 Ų1064.1 Ų64.15%0.05235%0.353CS..THydrogen-bonded Turntrans-94.3-0.6175.3-56.4-173.8000113.3V130 Y134 G145 G149 D150 L152 E169 I172V130-L147 HydrophobicContact CG1-CD2 3.96Å; V130-L147 HydrophobicContact CG2-CD1 3.87Å; V130-L147 HydrophobicContact CG2-CD2 3.66Å; V130-L147 HydrophobicContact CG2-CG 4.45Å; Y134-L147 HydrophobicContact CD2-CD2 4.3Å; Y134-L147 HydrophobicContact CE2-CD2 3.65Å; G145-L147 PolarHBondContact O-N 3.25Å; L147-G149 PolarHBondContact O-N 3.04Å; L147-D150 PolarHBondContact O-N 3.49Å; L147-L152 HydrophobicContact CB-CD1 4.06Å; L147-L152 HydrophobicContact CD1-CD1 3.7Å; L147-L152 HydrophobicContact CD2-CD1 4.29Å; L147-L152 HydrophobicContact CG-CD1 4.24Å; L147-E169 HydrophobicContact CB-CG 4.12Å; L147-E169 WeakPolarHBondContact CB-OE2 3.11Å; L147-E169 HydrophobicContact CD1-CG 3.94Å; L147-E169 HydrophobicContact CG-CG 4Å; L147-E169 PolarHBondContact N-OE2 3.34Å; L147-I172 HydrophobicContact CD1-CB 4.16Å; L147-I172 HydrophobicContact CD1-CG2 3.75Å
148A91.3Very high94.1Very high59 Ų5966.9 Ų66.949%0.48837%0.368SS..THydrogen-bonded Turntrans-60.5-22.5-172.200000114.9G145G145-A148 WeakPolarHBondContact O-CB 3.36Å; G145-A148 PolarHBondContact O-N 3.47Å; G145-A148 VanDerWaalsContact O-N 3.08Å
149G90Very high94.2Very high79 Ų7968 Ų6881%0.81437%0.371SS*.THydrogen-bonded Turntrans-92.2-6.3175.100000115.5L147L147-G149 PolarHBondContact O-N 3.04Å
150D93.9Very high94.3Very high37 Ų3759.9 Ų59.920%0.19834%0.335CS..  trans-95.9139-177.3-80.2-65.6000113.2K133 Y134 L147 L152K133-D150 WeakPolarHBondContact CD-OD1 3.41Å; K133-D150 IonicContact NZ-OD1 3.81Å; K133-D150 PolarHBondContact NZ-OD1 3Å; K133-D150 IonicContact NZ-OD2 3.89Å; K133-D150 PolarHBondContact NZ-OD2 3.5Å; Y134-D150 PolarHBondContact OH-OD2 2.73Å; L147-D150 PolarHBondContact O-N 3.49Å; D150-L152 HydrophobicContact CB-CD1 4.09Å; D150-L152 HydrophobicContact CB-CD2 3.97Å; D150-L152 HydrophobicContact CB-CG 3.75Å
151K94.5Very high94.4Very high170 Ų17053.2 Ų53.274%0.73930%0.304SS*.  trans-87.3110.7163.9-64.7-174.3179.7-176.90108.6K107 L111K107-K151 WeakPolarHBondContact CE-O 3.4Å; K107-K151 PolarHBondContact NZ-O 2.88Å; K107-K151 VanDerWaalsContact NZ-O 3.07Å; L111-K151 HydrophobicContact CD1-CB 3.97Å
152L96.2Very high94.5Very high20 Ų2055.3 Ų55.311%0.10531%0.305CS..  trans-123.2-35.9-172.6-64.8179.9000113.9A126 A129 V130 L147 D150 I172A126-L152 HydrophobicContact CB-CB 3.87Å; A129-L152 HydrophobicContact CB-CD2 4.47Å; V130-L152 HydrophobicContact CG2-CD1 3.65Å; V130-L152 HydrophobicContact CG2-CD2 3.95Å; V130-L152 HydrophobicContact CG2-CG 4.49Å; L147-L152 HydrophobicContact CB-CD1 4.06Å; L147-L152 HydrophobicContact CD1-CD1 3.7Å; L147-L152 HydrophobicContact CD2-CD1 4.29Å; L147-L152 HydrophobicContact CG-CD1 4.24Å; D150-L152 HydrophobicContact CB-CD1 4.09Å; D150-L152 HydrophobicContact CB-CD2 3.97Å; D150-L152 HydrophobicContact CB-CG 3.75Å; L152-I172 HydrophobicContact CB-CD1 4.29Å; L152-I172 HydrophobicContact CD1-CD1 3.98Å
153L97.9Very high94.4Very high16 Ų1655.8 Ų55.88%0.08431%0.308CS..SBendtrans-116.7146.3-178.9-59.3176.6000110.9L111 A122 V123 A126 L158 W168 I172L111-L153 VanDerWaalsContact CD2-C 3.48Å; L111-L153 WeakPolarHBondContact CD2-O 3.33Å; A122-L153 HydrophobicContact CB-CD2 3.91Å; A122-L153 WeakPolarHBondContact O-CD2 3.36Å; V123-L153 HydrophobicContact CG2-CD2 4.09Å; A126-L153 HydrophobicContact CB-CD2 4.05Å; L153-L158 HydrophobicContact CB-CD2 3.98Å; L153-L158 HydrophobicContact CB-CG 4.18Å; L153-L158 HydrophobicContact CD1-CD2 3.87Å; L153-W168 HydrophobicContact CD1-CB 4.06Å; L153-W168 HydrophobicContact CD1-CD2 3.47Å; L153-W168 VanDerWaalsContact CD1-CD2 3.47Å; L153-W168 HydrophobicContact CD1-CE3 3.4Å; L153-W168 VanDerWaalsContact CD1-CE3 3.4Å; L153-W168 HydrophobicContact CD1-CG 3.81Å; L153-W168 HydrophobicContact CD1-CZ3 3.97Å; L153-I172 HydrophobicContact CD1-CD1 4.32Å; L153-I172 HydrophobicContact CG-CD1 4.33Å
154P97.4Very high94.4Very high1 Ų152.7 Ų52.71%0.00630%0.299CS..  trans-61.4148.5173.2-18.529.9000111.7I110 R156 V157 L158I110-P154 HydrophobicContact CG2-CG 3.99Å; I110-P154 WeakPolarHBondContact O-CG 3.45Å; P154-R156 PolarHBondContact O-N 3.28Å; P154-V157 HydrophobicContact CB-CG2 4.2Å; P154-V157 HydrophobicContact CG-CG2 3.98Å; P154-V157 PolarHBondContact O-N 2.8Å; P154-L158 PolarHBondContact O-N 2.91Å
155Q95.8Very high94.4Very high110 Ų11055 Ų5551%0.51430%0.296SS..Hα-helixtrans-58.9-36.3179.9-178.562.721.600111.9V157 L158 E159Q155-V157 VanDerWaalsContact C-N 3.34Å; Q155-V157 PolarHBondContact O-N 2.84Å; Q155-L158 PolarHBondContact O-N 2.9Å; Q155-E159 PolarHBondContact NE2-OE1 2.93Å; Q155-E159 PolarHBondContact O-N 2.73Å
156R95.7Very high94.4Very high24 Ų2457.5 Ų57.59%0.09130%0.301CS..Hα-helixtrans-55.2-46.4171.6174-177.452.881.412.1112.3D113 Y116 C117 P154 L158 E159 Q160 T539 D542D113-R156 IonicContact OD1-CZ 2.73Å; D113-R156 IonicContact OD1-NE 3.58Å; D113-R156 PolarHBondContact OD1-NE 3.37Å; D113-R156 IonicContact OD1-NH2 2.59Å; D113-R156 PolarHBondContact OD1-NH2 2.9Å; D113-R156 VanDerWaalsContact OD2-CB 3.22Å; D113-R156 WeakPolarHBondContact OD2-CB 3.3Å; D113-R156 IonicContact OD2-NE 2.87Å; Y116-R156 VanDerWaalsContact CE2-NH1 3.28Å; C117-R156 PolarHBondContact O-NH1 3.37Å; C117-R156 PolarHBondContact O-NH2 3Å; P154-R156 PolarHBondContact O-N 3.28Å; R156-L158 VanDerWaalsContact C-N 3.35Å; R156-E159 PolarHBondContact O-N 2.63Å; R156-Q160 HydrophobicContact CG-CG 4.26Å; R156-Q160 VanDerWaalsContact O-CB 3.26Å; R156-Q160 WeakPolarHBondContact O-CB 3.13Å; R156-Q160 WeakPolarHBondContact O-CG 3.36Å; R156-Q160 PolarHBondContact O-N 3.33Å; R156-T539 HydrophobicContact CG-CG2 4.17Å; R156-D542 IonicContact NH1-OD1 2.89Å; R156-D542 PolarHBondContact NH1-OD1 3.36Å; R156-D542 VanDerWaalsContact NH1-OD1 3.14Å
157V96.2Very high94.4Very high0 Ų059.3 Ų59.30%031%0.311CS..Hα-helixtrans-66.1-40.2-177.2174.80000110.7P119 A122 P154 Q155 Q160 H161 W168P119-V157 HydrophobicContact CB-CG1 3.94Å; P119-V157 HydrophobicContact CG-CG1 4.4Å; P119-V157 HydrophobicContact CG-CG2 4.43Å; A122-V157 HydrophobicContact CB-CG2 4.33Å; P154-V157 HydrophobicContact CB-CG2 4.2Å; P154-V157 HydrophobicContact CG-CG2 3.98Å; P154-V157 PolarHBondContact O-N 2.8Å; Q155-V157 VanDerWaalsContact C-N 3.34Å; Q155-V157 PolarHBondContact O-N 2.84Å; V157-Q160 PolarHBondContact O-N 2.8Å; V157-H161 PolarHBondContact O-ND1 3.16Å; V157-W168 HydrophobicContact CG1-CH2 3.73Å; V157-W168 HydrophobicContact CG1-CZ2 4.08Å; V157-W168 HydrophobicContact CG1-CZ3 4.39Å; V157-W168 WeakPolarHBondContact O-CZ2 3.48Å
158L94.9Very high94.5Very high64 Ų6459.3 Ų59.334%0.33531%0.31SS..Hα-helixtrans-64.1-44175.2-62.9176.8000112.1L153 P154 Q155 R156 Q160 W168L153-L158 HydrophobicContact CB-CD2 3.98Å; L153-L158 HydrophobicContact CB-CG 4.18Å; L153-L158 HydrophobicContact CD1-CD2 3.87Å; P154-L158 PolarHBondContact O-N 2.91Å; Q155-L158 PolarHBondContact O-N 2.9Å; R156-L158 VanDerWaalsContact C-N 3.35Å; L158-Q160 VanDerWaalsContact C-N 3.34Å; L158-W168 HydrophobicContact CD2-CD2 4.4Å; L158-W168 HydrophobicContact CD2-CG 4.1Å
159E94.7Very high94.7Very high89 Ų8957 Ų5742%0.41629%0.289SS..Hα-helixtrans-74.5-21.4179-73.4-173-145.500114.3Q155 R156 H161 K537Q155-E159 PolarHBondContact NE2-OE1 2.93Å; Q155-E159 PolarHBondContact O-N 2.73Å; R156-E159 PolarHBondContact O-N 2.63Å; E159-H161 VanDerWaalsContact C-N 3.31Å; E159-H161 PolarHBondContact O-N 2.81Å; E159-K537 HydrophobicContact CB-CD 4.39Å; E159-K537 WeakPolarHBondContact O-CG 3.19Å; E159-K537 IonicContact OE2-NZ 3.63Å; E159-K537 PolarHBondContact OE2-NZ 2.91Å
160Q95Very high94.9Very high1 Ų158.3 Ų58.31%0.00527%0.274CS..THydrogen-bonded Turntrans-79.3-6.7-179.5-83.8-178.91.700114.6R156 V157 L158 R533 D534 K537 D542R156-Q160 HydrophobicContact CG-CG 4.26Å; R156-Q160 VanDerWaalsContact O-CB 3.26Å; R156-Q160 WeakPolarHBondContact O-CB 3.13Å; R156-Q160 WeakPolarHBondContact O-CG 3.36Å; R156-Q160 PolarHBondContact O-N 3.33Å; V157-Q160 PolarHBondContact O-N 2.8Å; L158-Q160 VanDerWaalsContact C-N 3.34Å; Q160-R533 CarbonylContact O-C 3.55Å; Q160-R533 WeakPolarHBondContact O-CA 3.36Å; Q160-R533 WeakPolarHBondContact O-CG 3.43Å; Q160-D534 PolarHBondContact O-N 3.37Å; Q160-K537 HydrophobicContact CB-CB 4.5Å; Q160-K537 HydrophobicContact CG-CB 3.76Å; Q160-K537 WeakPolarHBondContact CG-O 3.41Å; Q160-K537 PolarHBondContact NE2-O 3.49Å; Q160-D542 PolarHBondContact NE2-OD2 3.32Å; Q160-D542 PolarHBondContact OE1-OD1 3.22Å
161H95.3Very high95Very high11 Ų1158.4 Ų58.45%0.05127%0.271CS..BIsolated β-bridgetrans-136.7142.3-177.8-49.282.1000111.3P119 V157 E159 L163 W168 L529 A532P119-H161 VanDerWaalsContact CG-CE1 3.48Å; P119-H161 WeakPolarHBondContact CG-CE1 3.35Å; V157-H161 PolarHBondContact O-ND1 3.16Å; E159-H161 VanDerWaalsContact C-N 3.31Å; E159-H161 PolarHBondContact O-N 2.81Å; H161-L163 HydrophobicContact CB-CD1 4.3Å; H161-L163 HydrophobicContact CB-CG 4.17Å; H161-L163 PolarHBondContact O-N 2.8Å; H161-W168 HydrophobicContact CB-CH2 4.3Å; H161-W168 HydrophobicContact CB-CZ2 3.78Å; H161-W168 AromaticContact CG-CH2 3.97Å; H161-W168 AromaticContact CG-CZ2 3.86Å; H161-W168 AromaticContact ND1-CH2 3.66Å; H161-W168 AromaticContact ND1-CZ2 3.61Å; H161-L529 PolarHBondContact CD2-O 2.79Å; H161-A532 CarbonylContact C-O 3.5Å; H161-A532 WeakPolarHBondContact CA-O 3.39Å; H161-A532 HydrophobicContact CB-CB 4.24Å
162K93Very high95.1Very high144 Ų14450.5 Ų50.563%0.62624%0.237SC*.SBendtrans-80.849.9179.5-68.2165.1179.21560111.2A532 D534K162-A532 PolarHBondContact N-O 2.85Å; K162-D534 WeakPolarHBondContact CE-OD2 3.43Å; K162-D534 IonicContact NZ-OD2 2.65Å; K162-D534 PolarHBondContact NZ-OD2 2.78Å
163L93.8Very high95.1Very high26 Ų2651.7 Ų51.714%0.13624%0.242CC..  trans-115.6134.7-179.8-61.5179.9000109.8H161 Q167 W168 L529 A532H161-L163 HydrophobicContact CB-CD1 4.3Å; H161-L163 HydrophobicContact CB-CG 4.17Å; H161-L163 PolarHBondContact O-N 2.8Å; L163-Q167 HydrophobicContact CB-CB 4.13Å; L163-Q167 HydrophobicContact CD2-CB 4.19Å; L163-W168 HydrophobicContact CB-CD2 4.45Å; L163-W168 HydrophobicContact CD1-CD2 4.18Å; L163-W168 HydrophobicContact CD1-CE3 4.29Å; L163-W168 HydrophobicContact CD1-CH2 4.16Å; L163-W168 HydrophobicContact CD1-CZ2 4.04Å; L163-W168 HydrophobicContact CD1-CZ3 4.27Å; L163-L529 HydrophobicContact CD1-CD2 3.67Å; L163-A532 HydrophobicContact CD1-CB 4.35Å; L163-A532 HydrophobicContact CD2-CB 3.84Å; L163-A532 HydrophobicContact CG-CB 3.86Å
164N92.4Very high94.9Very high77 Ų7754.8 Ų54.841%0.41226%0.261SS..  trans-77.8177.6172.479.15.8000111.1D166 Q167 W168N164-D166 VanDerWaalsContact C-N 3.31Å; N164-D166 PolarHBondContact ND2-OD2 2.86Å; N164-D166 VanDerWaalsContact ND2-OD2 3.12Å; N164-D166 PolarHBondContact O-N 3.03Å; N164-D166 PolarHBondContact OD1-N 2.95Å; N164-Q167 PolarHBondContact O-N 2.96Å; N164-Q167 WeakPolarHBondContact OD1-CB 3.3Å; N164-Q167 VanDerWaalsContact OD1-CG 3.3Å; N164-Q167 WeakPolarHBondContact OD1-CG 3.34Å; N164-Q167 PolarHBondContact OD1-N 2.77Å; N164-Q167 PolarHBondContact OD1-OE1 2.81Å; N164-W168 PolarHBondContact O-N 2.95Å
165K91.5Very high94.7Very high150 Ų15055.4 Ų55.465%0.65226%0.264SS*.Hα-helixtrans-60.9-39179.5-74.7-169.3172.1-168.20113W168 E169K165-W168 PolarHBondContact O-N 3.41Å; K165-E169 PolarHBondContact O-N 2.78Å
166D93.2Very high94.8Very high87 Ų8750.2 Ų50.247%0.46524%0.239SC..Hα-helixtrans-71.2-35.9-173.8-36.4-48.7000110.7N164 E169 E170N164-D166 VanDerWaalsContact C-N 3.31Å; N164-D166 PolarHBondContact ND2-OD2 2.86Å; N164-D166 VanDerWaalsContact ND2-OD2 3.12Å; N164-D166 PolarHBondContact O-N 3.03Å; N164-D166 PolarHBondContact OD1-N 2.95Å; D166-E169 PolarHBondContact O-N 2.97Å; D166-E170 WeakPolarHBondContact O-CB 3.37Å; D166-E170 PolarHBondContact O-N 2.8Å
167Q95Very high94.8Very high71 Ų7153 Ų5333%0.33225%0.253SS..Hα-helixtrans-67.2-34.1171.5-71.1172.5-59.300112.3L163 N164 R171L163-Q167 HydrophobicContact CB-CB 4.13Å; L163-Q167 HydrophobicContact CD2-CB 4.19Å; N164-Q167 PolarHBondContact O-N 2.96Å; N164-Q167 WeakPolarHBondContact OD1-CB 3.3Å; N164-Q167 VanDerWaalsContact OD1-CG 3.3Å; N164-Q167 WeakPolarHBondContact OD1-CG 3.34Å; N164-Q167 PolarHBondContact OD1-N 2.77Å; N164-Q167 PolarHBondContact OD1-OE1 2.81Å; Q167-R171 WeakPolarHBondContact O-CD 3.06Å; Q167-R171 PolarHBondContact O-N 3.49Å; Q167-R171 PolarHBondContact O-NH1 2.87Å
168W96.4Very high94.6Very high9 Ų956.2 Ų56.23%0.03427%0.268CS..Hα-helixtrans-71.6-39.1170.2-74.7117.6000111.9V123 L153 V157 L158 H161 L163 N164 K165 R171 I172 L529V123-W168 HydrophobicContact CG2-CE3 3.91Å; V123-W168 HydrophobicContact CG2-CZ3 3.63Å; L153-W168 HydrophobicContact CD1-CB 4.06Å; L153-W168 HydrophobicContact CD1-CD2 3.47Å; L153-W168 VanDerWaalsContact CD1-CD2 3.47Å; L153-W168 HydrophobicContact CD1-CE3 3.4Å; L153-W168 VanDerWaalsContact CD1-CE3 3.4Å; L153-W168 HydrophobicContact CD1-CG 3.81Å; L153-W168 HydrophobicContact CD1-CZ3 3.97Å; V157-W168 HydrophobicContact CG1-CH2 3.73Å; V157-W168 HydrophobicContact CG1-CZ2 4.08Å; V157-W168 HydrophobicContact CG1-CZ3 4.39Å; V157-W168 WeakPolarHBondContact O-CZ2 3.48Å; L158-W168 HydrophobicContact CD2-CD2 4.4Å; L158-W168 HydrophobicContact CD2-CG 4.1Å; H161-W168 HydrophobicContact CB-CH2 4.3Å; H161-W168 HydrophobicContact CB-CZ2 3.78Å; H161-W168 AromaticContact CG-CH2 3.97Å; H161-W168 AromaticContact CG-CZ2 3.86Å; H161-W168 AromaticContact ND1-CH2 3.66Å; H161-W168 AromaticContact ND1-CZ2 3.61Å; L163-W168 HydrophobicContact CB-CD2 4.45Å; L163-W168 HydrophobicContact CD1-CD2 4.18Å; L163-W168 HydrophobicContact CD1-CE3 4.29Å; L163-W168 HydrophobicContact CD1-CH2 4.16Å; L163-W168 HydrophobicContact CD1-CZ2 4.04Å; L163-W168 HydrophobicContact CD1-CZ3 4.27Å; N164-W168 PolarHBondContact O-N 2.95Å; K165-W168 PolarHBondContact O-N 3.41Å; W168-R171 PolarHBondContact O-N 3.1Å; W168-I172 WeakPolarHBondContact O-CD1 3.49Å; W168-I172 VanDerWaalsContact O-CG1 3.28Å; W168-I172 WeakPolarHBondContact O-CG1 3.34Å; W168-I172 PolarHBondContact O-N 3.25Å; W168-I172 VanDerWaalsContact O-N 3.09Å; W168-L529 HydrophobicContact CH2-CD1 4.36Å; W168-L529 HydrophobicContact CH2-CD2 3.75Å; W168-L529 HydrophobicContact CZ3-CD1 4.27Å; W168-L529 HydrophobicContact CZ3-CD2 3.69Å
169E96Very high94.6Very high12 Ų1253.8 Ų53.86%0.05626%0.255CS..Hα-helixtrans-60.6-46174.7-177.3175.5100.100111.6S144 G145 Y146 L147 K165 D166 R171 I172 Q173S144-E169 VanDerWaalsContact CA-OE1 3.27Å; S144-E169 WeakPolarHBondContact CA-OE1 3.48Å; G145-E169 VanDerWaalsContact C-OE2 3.29Å; G145-E169 WeakPolarHBondContact CA-OE2 3.37Å; G145-E169 PolarHBondContact N-OE1 2.82Å; G145-E169 PolarHBondContact N-OE2 2.87Å; Y146-E169 HydrophobicContact CD1-CG 4.27Å; Y146-E169 HydrophobicContact CE1-CG 3.89Å; Y146-E169 PolarHBondContact N-OE2 3.03Å; L147-E169 HydrophobicContact CB-CG 4.12Å; L147-E169 WeakPolarHBondContact CB-OE2 3.11Å; L147-E169 HydrophobicContact CD1-CG 3.94Å; L147-E169 HydrophobicContact CG-CG 4Å; L147-E169 PolarHBondContact N-OE2 3.34Å; K165-E169 PolarHBondContact O-N 2.78Å; D166-E169 PolarHBondContact O-N 2.97Å; E169-R171 PolarHBondContact O-N 3.31Å; E169-I172 PolarHBondContact O-N 3.21Å; E169-Q173 VanDerWaalsContact O-CB 3.3Å; E169-Q173 WeakPolarHBondContact O-CB 3.45Å; E169-Q173 PolarHBondContact O-N 3.22Å
170E94.8Very high94.5Very high105 Ų10556 Ų5649%0.49126%0.26SS..Hα-helixtrans-50.5-51.2173.7175.5-175.8-132.800111.9D166 I172 Q173 V174D166-E170 WeakPolarHBondContact O-CB 3.37Å; D166-E170 PolarHBondContact O-N 2.8Å; E170-I172 VanDerWaalsContact C-N 3.34Å; E170-I172 PolarHBondContact O-N 3.04Å; E170-Q173 WeakPolarHBondContact O-CB 3.38Å; E170-Q173 PolarHBondContact O-N 2.85Å; E170-V174 PolarHBondContact O-N 3.08Å; E170-V174 VanDerWaalsContact O-N 3.09Å
171R94.9Very high94.3Very high39 Ų3958 Ų5815%0.14728%0.282CS..Hα-helixtrans-69.2-30.3-177.8-73.4160.5-17566.414.9113V123 Q167 W168 E169 L525 E528V123-R171 HydrophobicContact CG1-CB 4.26Å; Q167-R171 WeakPolarHBondContact O-CD 3.06Å; Q167-R171 PolarHBondContact O-N 3.49Å; Q167-R171 PolarHBondContact O-NH1 2.87Å; W168-R171 PolarHBondContact O-N 3.1Å; E169-R171 PolarHBondContact O-N 3.31Å; R171-L525 HydrophobicContact CG-CD1 4.43Å; R171-E528 IonicContact CZ-OE1 2.62Å; R171-E528 IonicContact NE-OE1 2.62Å; R171-E528 PolarHBondContact NE-OE1 3.25Å; R171-E528 IonicContact NH2-OE1 2.87Å; R171-E528 PolarHBondContact NH2-OE1 3.24Å
172I97Very high94.2Very high4 Ų459.7 Ų59.72%0.02129%0.29CS..Hα-helixtrans-76.6-35172.9-65.2163.3000110.7V123 A126 V130 L147 L152 L153 W168 E169 E170 W175 H176V123-I172 HydrophobicContact CG1-CG1 4.08Å; A126-I172 HydrophobicContact CB-CD1 3.81Å; A126-I172 HydrophobicContact CB-CG1 3.91Å; A126-I172 HydrophobicContact CB-CG2 4.25Å; V130-I172 HydrophobicContact CB-CG2 4.46Å; V130-I172 HydrophobicContact CG2-CG2 3.93Å; L147-I172 HydrophobicContact CD1-CB 4.16Å; L147-I172 HydrophobicContact CD1-CG2 3.75Å; L152-I172 HydrophobicContact CB-CD1 4.29Å; L152-I172 HydrophobicContact CD1-CD1 3.98Å; L153-I172 HydrophobicContact CD1-CD1 4.32Å; L153-I172 HydrophobicContact CG-CD1 4.33Å; W168-I172 WeakPolarHBondContact O-CD1 3.49Å; W168-I172 VanDerWaalsContact O-CG1 3.28Å; W168-I172 WeakPolarHBondContact O-CG1 3.34Å; W168-I172 PolarHBondContact O-N 3.25Å; W168-I172 VanDerWaalsContact O-N 3.09Å; E169-I172 PolarHBondContact O-N 3.21Å; E170-I172 VanDerWaalsContact C-N 3.34Å; E170-I172 PolarHBondContact O-N 3.04Å; I172-W175 PolarHBondContact O-N 2.81Å; I172-H176 WeakPolarHBondContact O-CB 3.39Å; I172-H176 PolarHBondContact O-N 2.83Å; I172-H176 VanDerWaalsContact O-N 3.08Å
173Q95.7Very high94.2Very high46 Ų4654 Ų5422%0.21527%0.266CS..Hα-helixtrans-65.7-42.5179.7-176.7-176.4-45.500112.2F137 E169 E170 W175 H176 E177F137-Q173 HydrophobicContact CD2-CG 4.06Å; F137-Q173 HydrophobicContact CE2-CG 3.6Å; F137-Q173 HydrophobicContact CZ-CG 4.08Å; F137-Q173 VanDerWaalsContact CZ-NE2 3.33Å; E169-Q173 VanDerWaalsContact O-CB 3.3Å; E169-Q173 WeakPolarHBondContact O-CB 3.45Å; E169-Q173 PolarHBondContact O-N 3.22Å; E170-Q173 WeakPolarHBondContact O-CB 3.38Å; E170-Q173 PolarHBondContact O-N 2.85Å; Q173-W175 PolarHBondContact O-N 2.9Å; Q173-H176 CarbonylContact O-C 3.58Å; Q173-H176 WeakPolarHBondContact O-CA 3.36Å; Q173-H176 WeakPolarHBondContact O-CB 3.12Å; Q173-H176 PolarHBondContact O-N 2.82Å; Q173-E177 HydrophobicContact CG-CG 4.34Å; Q173-E177 PolarHBondContact NE2-OE1 3.28Å; Q173-E177 PolarHBondContact O-N 3.11Å
174V93.6Very high94.2Very high80 Ų8058.7 Ų58.749%0.48528%0.282SS..Hα-helixtrans-50.6-47.2177.2169.50000111.2E170 E177 E178E170-V174 PolarHBondContact O-N 3.08Å; E170-V174 VanDerWaalsContact O-N 3.09Å; V174-E177 PolarHBondContact O-N 3.02Å; V174-E178 PolarHBondContact O-N 3.23Å
175W94.4Very high94.3Very high15 Ų1557.6 Ų57.66%0.05727%0.274CS..Hα-helixtrans-72-37.7176.6-73.3105.5000113.6L124 S127 I172 Q173 E177 E178 H179 V518 H521L124-W175 HydrophobicContact CD1-CD2 3.78Å; L124-W175 HydrophobicContact CD1-CE3 3.68Å; L124-W175 HydrophobicContact CD1-CG 4.44Å; L124-W175 HydrophobicContact CD1-CH2 3.79Å; L124-W175 HydrophobicContact CD1-CZ2 3.94Å; L124-W175 HydrophobicContact CD1-CZ3 3.7Å; S127-W175 VanDerWaalsContact OG-CB 3.32Å; S127-W175 WeakPolarHBondContact OG-CB 3.43Å; I172-W175 PolarHBondContact O-N 2.81Å; Q173-W175 PolarHBondContact O-N 2.9Å; W175-E177 VanDerWaalsContact C-N 3.25Å; W175-E177 PolarHBondContact O-N 2.95Å; W175-E178 PolarHBondContact O-N 2.9Å; W175-H179 PolarHBondContact O-CD2 2.98Å; W175-H179 VanDerWaalsContact O-CG 3.3Å; W175-H179 PolarHBondContact O-N 3.12Å; W175-V518 HydrophobicContact CH2-CG2 4.46Å; W175-V518 HydrophobicContact CZ3-CG2 4.47Å; W175-H521 HydrophobicContact CH2-CB 3.34Å; W175-H521 AromaticContact CH2-CG 3.9Å; W175-H521 AromaticContact CH2-ND1 3.86Å; W175-H521 HydrophobicContact CZ2-CB 3.38Å; W175-H521 HydrophobicContact CZ3-CB 4.31Å; W175-H521 AromaticContact CZ3-ND1 3.99Å
176H96.7Very high94.5Very high0 Ų051.8 Ų51.80%025%0.251CS..Hα-helixtrans-61.9-31.5174.6176.3-158.5000112.4V130 G135 F137 H142 Y146 I172 Q173V130-H176 HydrophobicContact CG1-CB 4.15Å; V130-H176 VanDerWaalsContact CG1-CE1 3.43Å; V130-H176 WeakPolarHBondContact CG1-CE1 3.37Å; V130-H176 WeakPolarHBondContact CG1-ND1 3.47Å; G135-H176 PolarHBondContact O-NE2 2.71Å; F137-H176 AromaticContact CD2-CE1 3.82Å; F137-H176 AromaticContact CD2-ND1 3.65Å; H142-H176 AromaticContact CE1-CE1 3.72Å; H142-H176 AromaticContact CE1-NE2 3.99Å; H142-H176 AromaticContact ND1-CE1 3.38Å; H142-H176 PolarHBondContact ND1-CE1 2.88Å; H142-H176 AromaticContact ND1-NE2 3.96Å; Y146-H176 AromaticContact CE2-CE1 3.77Å; Y146-H176 AromaticContact CE2-ND1 3.82Å; Y146-H176 AromaticContact CZ-ND1 3.77Å; Y146-H176 PolarHBondContact OH-ND1 3.3Å; I172-H176 WeakPolarHBondContact O-CB 3.39Å; I172-H176 PolarHBondContact O-N 2.83Å; I172-H176 VanDerWaalsContact O-N 3.08Å; Q173-H176 CarbonylContact O-C 3.58Å; Q173-H176 WeakPolarHBondContact O-CA 3.36Å; Q173-H176 WeakPolarHBondContact O-CB 3.12Å; Q173-H176 PolarHBondContact O-N 2.82Å
177E95.3Very high94.7Very high82 Ų8247.7 Ų47.738%0.38323%0.228SC..Hα-helixtrans-70.2-34.2171.1-74.1-171.9-134.700112.7F137 Q173 V174 W175F137-E177 HydrophobicContact CB-CG 3.91Å; F137-E177 HydrophobicContact CD1-CG 3.4Å; F137-E177 VanDerWaalsContact CD1-CG 3.4Å; F137-E177 HydrophobicContact CD2-CG 4.19Å; F137-E177 HydrophobicContact CE1-CG 3.88Å; F137-E177 HydrophobicContact CG-CG 3.57Å; F137-E177 HydrophobicContact CZ-CG 4.47Å; Q173-E177 HydrophobicContact CG-CG 4.34Å; Q173-E177 PolarHBondContact NE2-OE1 3.28Å; Q173-E177 PolarHBondContact O-N 3.11Å; V174-E177 PolarHBondContact O-N 3.02Å; W175-E177 VanDerWaalsContact C-N 3.25Å; W175-E177 PolarHBondContact O-N 2.95Å
178E92.9Very high94.9Very high68 Ų6844.5 Ų44.532%0.31821%0.214SC..Hα-helixtrans-73.3-27.3176.1-70.5-172.7-158.500113.9V174 W175 R180 R517 H521V174-E178 PolarHBondContact O-N 3.23Å; W175-E178 PolarHBondContact O-N 2.9Å; E178-R180 PolarHBondContact O-N 3.5Å; E178-R517 VanDerWaalsContact CD-NH2 3.3Å; E178-R517 IonicContact OE2-CZ 3.53Å; E178-R517 IonicContact OE2-NE 3.85Å; E178-R517 PolarHBondContact OE2-NE 2.88Å; E178-R517 IonicContact OE2-NH2 2.69Å; E178-R517 PolarHBondContact OE2-NH2 3.3Å; E178-H521 IonicContact OE1-CE1 3.09Å; E178-H521 PolarHBondContact OE1-CE1 2.91Å; E178-H521 VanDerWaalsContact OE1-CE1 3.25Å; E178-H521 IonicContact OE1-ND1 2.72Å; E178-H521 IonicContact OE2-CE1 3.15Å; E178-H521 PolarHBondContact OE2-CE1 2.91Å; E178-H521 VanDerWaalsContact OE2-CE1 3.3Å; E178-H521 IonicContact OE2-ND1 2.69Å
179H95.1Very high94.9Very high13 Ų1345 Ų456%0.0622%0.217CC..THydrogen-bonded Turntrans-76.13.7179.6-62.7-36.3000114.7S127 Y128 Q131 W175 G181 M182S127-H179 PolarHBondContact OG-NE2 2.88Å; Y128-H179 AromaticContact CD1-CE1 3.85Å; Y128-H179 AromaticContact CD1-NE2 3.77Å; Y128-H179 AromaticContact CE1-CE1 3.29Å; Y128-H179 WeakPolarHBondContact CE1-CE1 3.4Å; Y128-H179 AromaticContact CE1-ND1 3.65Å; Y128-H179 AromaticContact CE1-NE2 3.69Å; Y128-H179 AromaticContact CE2-CE1 3.97Å; Y128-H179 AromaticContact CZ-CE1 3.36Å; Y128-H179 AromaticContact CZ-NE2 3.89Å; Q131-H179 HydrophobicContact CB-CB 4.08Å; Q131-H179 HydrophobicContact CG-CB 3.82Å; Q131-H179 PolarHBondContact NE2-O 3.13Å; W175-H179 PolarHBondContact O-CD2 2.98Å; W175-H179 VanDerWaalsContact O-CG 3.3Å; W175-H179 PolarHBondContact O-N 3.12Å; H179-G181 PolarHBondContact O-N 2.99Å; H179-M182 WeakPolarHBondContact O-CB 3.45Å; H179-M182 PolarHBondContact O-N 3.49Å
180R93Very high95Very high135 Ų13546.5 Ų46.551%0.50922%0.224SC..THydrogen-bonded Turntrans-50.6126.8177.5-178.8179.4-53.3-66-6.4111.8D136 F137 E178D136-R180 HydrophobicContact CB-CG 4.43Å; F137-R180 PolarHBondContact O-NH1 3.05Å; F137-R180 PolarHBondContact O-NH2 2.93Å; E178-R180 PolarHBondContact O-N 3.5Å
181G90.4Very high95.2Very high45 Ų4541.8 Ų41.846%0.46420%0.202SC..THydrogen-bonded Turntrans99.1-15.6-177.200000113.9D136 H179 R320D136-G181 PolarHBondContact OD1-N 3.04Å; D136-G181 PolarHBondContact OD2-N 2.9Å; H179-G181 PolarHBondContact O-N 2.99Å; G181-R320 VanDerWaalsContact CA-NH2 3.32Å; G181-R320 VanDerWaalsContact O-CZ 3.27Å; G181-R320 PolarHBondContact O-NH1 2.92Å
182M93.9Very high95.3Very high46 Ų4640 Ų4023%0.22720%0.195CC..  trans-73.7138.3177.1-166.5170.6-67.900111.4Y128 Q131 H179 D186 A187 E190 R320Y128-M182 HydrophobicContact CD1-SD 3.95Å; Y128-M182 HydrophobicContact CE1-CE 3.95Å; Y128-M182 HydrophobicContact CE1-SD 3.75Å; Q131-M182 HydrophobicContact CG-CB 4.28Å; Q131-M182 PolarHBondContact NE2-O 3.21Å; H179-M182 WeakPolarHBondContact O-CB 3.45Å; H179-M182 PolarHBondContact O-N 3.49Å; M182-D186 HydrophobicContact CG-CB 3.67Å; M182-A187 HydrophobicContact CG-CB 4.18Å; M182-A187 HydrophobicContact SD-CB 3.83Å; M182-E190 HydrophobicContact CE-CG 4.33Å; M182-E190 HydrophobicContact SD-CG 4.28Å; M182-R320 PolarHBondContact O-NH1 2.73Å
183L92.9Very high95.4Very high24 Ų2441.6 Ų41.613%0.12620%0.202CC..  trans-73164172.1-67.6170.3000110.9E185 D186 A187 K316 Q317L183-E185 PolarHBondContact O-N 3.02Å; L183-D186 HydrophobicContact CB-CB 4.16Å; L183-D186 PolarHBondContact O-N 2.93Å; L183-A187 WeakPolarHBondContact O-CB 3.37Å; L183-A187 PolarHBondContact O-N 2.87Å; L183-K316 HydrophobicContact CD1-CB 4.31Å; L183-Q317 HydrophobicContact CD1-CG 4.02Å
184R94Very high95.4Very high125 Ų12540.2 Ų40.247%0.47220%0.196SC..Hα-helixtrans-69.5-30.3-176.9-59.4172.366.797.75.8111.4S132 K133 V188S132-R184 WeakPolarHBondContact CB-O 3.47Å; S132-R184 PolarHBondContact O-NE 3.45Å; S132-R184 PolarHBondContact O-NH2 3.45Å; S132-R184 PolarHBondContact OG-O 3.22Å; K133-R184 VanDerWaalsContact O-CZ 3.28Å; K133-R184 PolarHBondContact O-NH1 2.88Å; K133-R184 PolarHBondContact O-NH2 3.08Å; R184-V188 PolarHBondContact O-N 2.77Å
185E94.3Very high95.7Very high53 Ų5336.4 Ų36.425%0.24817%0.173CC..Hα-helixtrans-79.5-44.6178.8-53.593.6139.900110.3D96 L183 A187 V188 L189 K316D96-E185 HydrophobicContact CB-CG 4.4Å; L183-E185 PolarHBondContact O-N 3.02Å; E185-A187 VanDerWaalsContact C-N 3.31Å; E185-A187 PolarHBondContact O-N 2.83Å; E185-V188 WeakPolarHBondContact O-CA 3.29Å; E185-V188 WeakPolarHBondContact O-CB 3.33Å; E185-V188 PolarHBondContact O-N 3.42Å; E185-L189 PolarHBondContact O-N 2.8Å; E185-K316 IonicContact OE1-NZ 2.77Å; E185-K316 PolarHBondContact OE1-NZ 2.92Å
186D95.4Very high95.8Very high29 Ų2935.9 Ų35.916%0.15517%0.171CC..Hα-helixtrans-57.8-43.6170-74.3-37.1000111.2M182 L183 V188 L189 E190 K313M182-D186 HydrophobicContact CG-CB 3.67Å; L183-D186 HydrophobicContact CB-CB 4.16Å; L183-D186 PolarHBondContact O-N 2.93Å; D186-V188 VanDerWaalsContact C-N 3.29Å; D186-V188 PolarHBondContact O-N 2.9Å; D186-L189 PolarHBondContact O-N 3.5Å; D186-L189 VanDerWaalsContact O-N 3.14Å; D186-E190 WeakPolarHBondContact O-CG 3.35Å; D186-E190 PolarHBondContact O-N 2.81Å; D186-K313 WeakPolarHBondContact OD1-CE 3.26Å; D186-K313 IonicContact OD1-NZ 2.81Å; D186-K313 PolarHBondContact OD1-NZ 2.68Å
187A97.7Very high95.8Very high0 Ų036.8 Ų36.80%018%0.176CC..Hα-helixtrans-64.6-31.1175.500000113.3Y128 Q131 M182 L183 E185 Y191Y128-A187 HydrophobicContact CD1-CB 4.38Å; Q131-A187 HydrophobicContact CB-CB 4.13Å; Q131-A187 HydrophobicContact CG-CB 3.87Å; M182-A187 HydrophobicContact CG-CB 4.18Å; M182-A187 HydrophobicContact SD-CB 3.83Å; L183-A187 WeakPolarHBondContact O-CB 3.37Å; L183-A187 PolarHBondContact O-N 2.87Å; E185-A187 VanDerWaalsContact C-N 3.31Å; E185-A187 PolarHBondContact O-N 2.83Å; A187-Y191 WeakPolarHBondContact O-CB 3.35Å; A187-Y191 PolarHBondContact O-N 2.9Å; A187-Y191 VanDerWaalsContact O-N 3.11Å
188V98.1Very high95.9Very high5 Ų533.3 Ų33.33%0.0316%0.16CC..Hα-helixtrans-68.6-40.8171.3147.70000111.2Q99 F103 S132 R184 E185 D186 L192Q99-V188 HydrophobicContact CB-CG1 3.67Å; F103-V188 HydrophobicContact CB-CG1 3.98Å; F103-V188 HydrophobicContact CB-CG2 4.16Å; F103-V188 HydrophobicContact CD1-CG2 3.74Å; F103-V188 HydrophobicContact CD2-CG2 4.23Å; F103-V188 HydrophobicContact CE1-CG2 4.15Å; F103-V188 HydrophobicContact CG-CG1 4.49Å; F103-V188 HydrophobicContact CG-CG2 3.79Å; S132-V188 VanDerWaalsContact OG-CG2 3.32Å; S132-V188 WeakPolarHBondContact OG-CG2 3.47Å; R184-V188 PolarHBondContact O-N 2.77Å; E185-V188 WeakPolarHBondContact O-CA 3.29Å; E185-V188 WeakPolarHBondContact O-CB 3.33Å; E185-V188 PolarHBondContact O-N 3.42Å; D186-V188 VanDerWaalsContact C-N 3.29Å; D186-V188 PolarHBondContact O-N 2.9Å; V188-L192 HydrophobicContact CG1-CD1 4.48Å; V188-L192 WeakPolarHBondContact O-CG 3.43Å; V188-L192 PolarHBondContact O-N 3.1Å; V188-L192 VanDerWaalsContact O-N 3.07Å
189L97.5Very high96.1Very high18 Ų1831.2 Ų31.29%0.09415%0.15CC..Hα-helixtrans-69.1-44.9178.4-175.859.7000111.7V89 E185 D186 Y191 L192 K193V89-L189 HydrophobicContact CG2-CD1 4.15Å; E185-L189 PolarHBondContact O-N 2.8Å; D186-L189 PolarHBondContact O-N 3.5Å; D186-L189 VanDerWaalsContact O-N 3.14Å; L189-Y191 VanDerWaalsContact C-N 3.35Å; L189-Y191 PolarHBondContact O-N 3.39Å; L189-L192 CarbonylContact O-C 3.56Å; L189-L192 PolarHBondContact O-N 2.9Å; L189-L192 VanDerWaalsContact O-N 3.12Å; L189-K193 HydrophobicContact CG-CD 4.5Å; L189-K193 HydrophobicContact CG-CG 4.47Å; L189-K193 WeakPolarHBondContact O-CG 3.43Å; L189-K193 PolarHBondContact O-N 3.15Å
190E97.3Very high96.2Very high45 Ų4531.1 Ų31.121%0.2115%0.15CC..Hα-helixtrans-63.9-37.7175.9-64-50129.500112.2Y128 M182 D186 L192 K193 I194Y128-E190 HydrophobicContact CD1-CB 3.87Å; Y128-E190 HydrophobicContact CE1-CB 3.55Å; Y128-E190 HydrophobicContact CE1-CG 4.18Å; Y128-E190 HydrophobicContact CE2-CB 4.48Å; Y128-E190 HydrophobicContact CG-CB 4.46Å; M182-E190 HydrophobicContact CE-CG 4.33Å; M182-E190 HydrophobicContact SD-CG 4.28Å; D186-E190 WeakPolarHBondContact O-CG 3.35Å; D186-E190 PolarHBondContact O-N 2.81Å; E190-L192 VanDerWaalsContact C-N 3.33Å; E190-L192 PolarHBondContact O-N 2.68Å; E190-K193 PolarHBondContact O-N 3.02Å; E190-K193 IonicContact OE1-NZ 3.25Å; E190-K193 PolarHBondContact OE1-NZ 2.77Å; E190-K193 IonicContact OE2-NZ 3.49Å; E190-I194 WeakPolarHBondContact O-CG1 3.48Å; E190-I194 PolarHBondContact O-N 2.96Å; E190-I194 VanDerWaalsContact O-N 3.13Å
191Y98.5Very high96.5Very high6 Ų625.1 Ų25.12%0.02413%0.127CC..Hα-helixtrans-55.7-49.3169.4-174.9-72.8000111F103 V106 K107 L125 A129 A187 L189 A195F103-Y191 AromaticContact CD2-CD1 3.56Å; F103-Y191 HydrophobicContact CD2-CD1 3.56Å; F103-Y191 AromaticContact CD2-CD2 3.95Å; F103-Y191 HydrophobicContact CD2-CD2 3.95Å; F103-Y191 AromaticContact CD2-CE1 3.97Å; F103-Y191 HydrophobicContact CD2-CE1 3.97Å; F103-Y191 HydrophobicContact CD2-CE2 4.32Å; F103-Y191 AromaticContact CD2-CG 3.58Å; F103-Y191 HydrophobicContact CD2-CG 3.58Å; F103-Y191 HydrophobicContact CE2-CD1 4.07Å; F103-Y191 AromaticContact CE2-CD2 3.6Å; F103-Y191 HydrophobicContact CE2-CD2 3.6Å; F103-Y191 HydrophobicContact CE2-CE1 4.31Å; F103-Y191 AromaticContact CE2-CE2 3.86Å; F103-Y191 HydrophobicContact CE2-CE2 3.86Å; F103-Y191 AromaticContact CE2-CG 3.74Å; F103-Y191 HydrophobicContact CE2-CG 3.74Å; V106-Y191 HydrophobicContact CG1-CE1 4.21Å; K107-Y191 WeakPolarHBondContact CA-OH 3.38Å; K107-Y191 HydrophobicContact CB-CE1 4.4Å; K107-Y191 WeakPolarHBondContact CB-OH 3.44Å; L125-Y191 HydrophobicContact CB-CD2 3.98Å; L125-Y191 HydrophobicContact CB-CE2 3.56Å; L125-Y191 HydrophobicContact CD2-CD1 4.01Å; L125-Y191 HydrophobicContact CD2-CD2 3.81Å; L125-Y191 HydrophobicContact CD2-CE1 4.18Å; L125-Y191 HydrophobicContact CD2-CE2 4.02Å; L125-Y191 HydrophobicContact CD2-CG 3.79Å; L125-Y191 VanDerWaalsContact CD2-O 3.25Å; L125-Y191 WeakPolarHBondContact CD2-O 3.41Å; L125-Y191 HydrophobicContact CG-CD2 4.5Å; L125-Y191 HydrophobicContact CG-CE2 4.29Å; L125-Y191 WeakPolarHBondContact O-CD2 3.46Å; L125-Y191 WeakPolarHBondContact O-CE2 3.44Å; A129-Y191 HydrophobicContact CB-CD2 4.23Å; A129-Y191 HydrophobicContact CB-CE2 4.09Å; A187-Y191 WeakPolarHBondContact O-CB 3.35Å; A187-Y191 PolarHBondContact O-N 2.9Å; A187-Y191 VanDerWaalsContact O-N 3.11Å; L189-Y191 VanDerWaalsContact C-N 3.35Å; L189-Y191 PolarHBondContact O-N 3.39Å; Y191-A195 HydrophobicContact CD1-CB 4.34Å; Y191-A195 HydrophobicContact CE1-CB 4.27Å; Y191-A195 VanDerWaalsContact O-CB 3.25Å; Y191-A195 WeakPolarHBondContact O-CB 3.38Å; Y191-A195 PolarHBondContact O-N 2.69Å
192L98.7Very high96.8Very high0 Ų023.4 Ų23.40%011%0.11CC..Hα-helixtrans-66.9-38.2-179.2-78.9175000112.6V89 L93 Q99 F102 F103 V106 V188 L189 E190 I194 A195 Q196V89-L192 HydrophobicContact CB-CB 4.21Å; V89-L192 HydrophobicContact CG1-CB 4.15Å; V89-L192 HydrophobicContact CG2-CB 4.1Å; L93-L192 HydrophobicContact CD1-CD1 3.97Å; Q99-L192 HydrophobicContact CB-CD1 4.36Å; Q99-L192 WeakPolarHBondContact O-CD1 3.27Å; F102-L192 HydrophobicContact CB-CD1 3.88Å; F102-L192 HydrophobicContact CB-CD2 4.06Å; F103-L192 HydrophobicContact CB-CD1 4.35Å; F103-L192 HydrophobicContact CB-CG 4.27Å; V106-L192 HydrophobicContact CB-CD2 4.26Å; V106-L192 HydrophobicContact CG2-CD2 3.99Å; V188-L192 HydrophobicContact CG1-CD1 4.48Å; V188-L192 WeakPolarHBondContact O-CG 3.43Å; V188-L192 PolarHBondContact O-N 3.1Å; V188-L192 VanDerWaalsContact O-N 3.07Å; L189-L192 CarbonylContact O-C 3.56Å; L189-L192 PolarHBondContact O-N 2.9Å; L189-L192 VanDerWaalsContact O-N 3.12Å; E190-L192 VanDerWaalsContact C-N 3.33Å; E190-L192 PolarHBondContact O-N 2.68Å; L192-I194 VanDerWaalsContact C-N 3.34Å; L192-I194 PolarHBondContact O-N 3.2Å; L192-A195 PolarHBondContact O-N 3.28Å; L192-Q196 WeakPolarHBondContact O-CB 3.22Å; L192-Q196 PolarHBondContact O-N 3.17Å
193K97.6Very high96.9Very high38 Ų3822 Ų2217%0.16510%0.104CC..Hα-helixtrans-62.5-41.4178.7-75.4174.7174.7174.50111.7V89 L189 E190 Q196 E511V89-K193 HydrophobicContact CG2-CB 4.13Å; V89-K193 HydrophobicContact CG2-CG 3.54Å; L189-K193 HydrophobicContact CG-CD 4.5Å; L189-K193 HydrophobicContact CG-CG 4.47Å; L189-K193 WeakPolarHBondContact O-CG 3.43Å; L189-K193 PolarHBondContact O-N 3.15Å; E190-K193 PolarHBondContact O-N 3.02Å; E190-K193 IonicContact OE1-NZ 3.25Å; E190-K193 PolarHBondContact OE1-NZ 2.77Å; E190-K193 IonicContact OE2-NZ 3.49Å; K193-Q196 VanDerWaalsContact O-CG 3.29Å; K193-Q196 WeakPolarHBondContact O-CG 3.21Å; K193-Q196 PolarHBondContact O-NE2 3.09Å; K193-E511 HydrophobicContact CB-CG 3.83Å; K193-E511 WeakPolarHBondContact O-CG 3.32Å
194I97.4Very high97.1Very high18 Ų1822.6 Ų22.69%0.09211%0.107CC..Hα-helixtrans-72.5-40.7175.5-66.1163.1000110.6T121 L124 L125 Y128 E190 L192 Q196 D197 E511T121-I194 HydrophobicContact CG2-CG2 3.74Å; L124-I194 HydrophobicContact CD2-CD1 3.85Å; L124-I194 HydrophobicContact CG-CD1 4.1Å; L125-I194 HydrophobicContact CD2-CB 3.91Å; L125-I194 HydrophobicContact CD2-CG2 3.84Å; L125-I194 HydrophobicContact CG-CG2 4.21Å; Y128-I194 HydrophobicContact CD2-CD1 4.08Å; Y128-I194 HydrophobicContact CE2-CD1 3.43Å; Y128-I194 VanDerWaalsContact CE2-CD1 3.43Å; E190-I194 WeakPolarHBondContact O-CG1 3.48Å; E190-I194 PolarHBondContact O-N 2.96Å; E190-I194 VanDerWaalsContact O-N 3.13Å; L192-I194 VanDerWaalsContact C-N 3.34Å; L192-I194 PolarHBondContact O-N 3.2Å; I194-Q196 VanDerWaalsContact C-N 3.32Å; I194-Q196 PolarHBondContact O-N 3.15Å; I194-D197 PolarHBondContact O-N 2.95Å; I194-E511 HydrophobicContact CG1-CB 4.16Å; I194-E511 HydrophobicContact CG1-CG 4.47Å
195A98.3Very high97.3Very high0 Ų018.7 Ų18.70%09%0.092CC..Hα-helixtrans-69.5-26.5-178.300000113.5V106 I110 L125 Y191 L192 D197 L198 Y201V106-A195 HydrophobicContact CG1-CB 3.59Å; I110-A195 HydrophobicContact CD1-CB 4.24Å; L125-A195 HydrophobicContact CD1-CB 4.43Å; L125-A195 HydrophobicContact CD2-CB 4.32Å; Y191-A195 HydrophobicContact CD1-CB 4.34Å; Y191-A195 HydrophobicContact CE1-CB 4.27Å; Y191-A195 VanDerWaalsContact O-CB 3.25Å; Y191-A195 WeakPolarHBondContact O-CB 3.38Å; Y191-A195 PolarHBondContact O-N 2.69Å; L192-A195 PolarHBondContact O-N 3.28Å; A195-D197 PolarHBondContact O-N 3.34Å; A195-L198 WeakPolarHBondContact O-CB 3.44Å; A195-L198 PolarHBondContact O-N 2.92Å; A195-Y201 HydrophobicContact CB-CD2 4.48Å; A195-Y201 WeakPolarHBondContact O-CB 3.48Å; A195-Y201 WeakPolarHBondContact O-CD2 3.28Å
196Q97.5Very high97.4Very high4 Ų416.8 Ų16.82%0.0198%0.083CC..THydrogen-bonded Turntrans-63.8-26176.891.3-160.9-47.900112.8V89 L192 K193 I194 L198 Y201 R508 K555V89-Q196 HydrophobicContact CG1-CB 4.02Å; L192-Q196 WeakPolarHBondContact O-CB 3.22Å; L192-Q196 PolarHBondContact O-N 3.17Å; K193-Q196 VanDerWaalsContact O-CG 3.29Å; K193-Q196 WeakPolarHBondContact O-CG 3.21Å; K193-Q196 PolarHBondContact O-NE2 3.09Å; I194-Q196 VanDerWaalsContact C-N 3.32Å; I194-Q196 PolarHBondContact O-N 3.15Å; Q196-L198 VanDerWaalsContact C-N 3.31Å; Q196-Y201 HydrophobicContact CB-CD1 4.19Å; Q196-Y201 HydrophobicContact CB-CE1 3.87Å; Q196-Y201 HydrophobicContact CB-CE2 4.23Å; Q196-R508 VanDerWaalsContact CD-NH2 3.27Å; Q196-K555 PolarHBondContact O-NZ 3.22Å
197D97Very high97.4Very high18 Ų1817.6 Ų17.610%0.0969%0.092CC..THydrogen-bonded Turntrans-78.9-14.9-177.2-64.8-15.7000112.6I194 A195 T510 E511 K555 Y556I194-D197 PolarHBondContact O-N 2.95Å; A195-D197 PolarHBondContact O-N 3.34Å; D197-T510 HydrophobicContact CB-CG2 3.91Å; D197-T510 WeakPolarHBondContact OD2-CA 3.36Å; D197-T510 WeakPolarHBondContact OD2-CB 3.3Å; D197-E511 PolarHBondContact OD2-N 2.8Å; D197-K555 WeakPolarHBondContact O-CB 3.45Å; D197-K555 VanDerWaalsContact O-CD 3.22Å; D197-K555 WeakPolarHBondContact O-CD 3.46Å; D197-Y556 WeakPolarHBondContact OD1-CE2 3.45Å; D197-Y556 PolarHBondContact OD1-OH 3.08Å
198L97.6Very high97.4Very high10 Ų1017.7 Ų17.75%0.0529%0.092CC..SBendtrans-64.8136.6176.8-61.6174.9000110.6I110 I115 C117 T121 A195 Q196 M200 Y201 K555I110-L198 HydrophobicContact CD1-CD1 3.7Å; I110-L198 HydrophobicContact CG1-CD1 4.2Å; I115-L198 HydrophobicContact CG2-CB 4.11Å; I115-L198 HydrophobicContact CG2-CD1 3.82Å; C117-L198 HydrophobicContact CB-CD1 4.03Å; C117-L198 HydrophobicContact CB-CD2 4.45Å; T121-L198 HydrophobicContact CG2-CD2 4.44Å; A195-L198 WeakPolarHBondContact O-CB 3.44Å; A195-L198 PolarHBondContact O-N 2.92Å; Q196-L198 VanDerWaalsContact C-N 3.31Å; L198-M200 PolarHBondContact O-N 3.46Å; L198-M200 VanDerWaalsContact O-N 3.12Å; L198-Y201 VanDerWaalsContact O-CB 3.31Å; L198-Y201 WeakPolarHBondContact O-CB 3.16Å; L198-Y201 PolarHBondContact O-N 2.84Å; L198-K555 PolarHBondContact O-NZ 3.48Å
199E96.3Very high97.4Very high24 Ų2421 Ų2111%0.11211%0.106CC..THydrogen-bonded Turntrans-61.7-29.3-169.6-5694.713600112.6V203 L234 H545E199-V203 WeakPolarHBondContact O-CG2 3.26Å; E199-L234 HydrophobicContact CB-CD2 4.17Å; E199-H545 IonicContact OE1-CE1 2.66Å; E199-H545 IonicContact OE1-ND1 3.44Å; E199-H545 PolarHBondContact OE1-ND1 2.99Å; E199-H545 VanDerWaalsContact OE1-ND1 3.09Å
200M97.6Very high97.3Very high10 Ų1020.2 Ų20.25%0.04910%0.102CC..THydrogen-bonded Turntrans-90.9-6.5179.3-53.9-170.766.700114.3D114 I115 Y116 L198 G202 V203 Y205 L234D114-M200 WeakPolarHBondContact O-CE 3.47Å; I115-M200 HydrophobicContact CG2-CB 4.23Å; Y116-M200 VanDerWaalsContact CB-SD 3.6Å; Y116-M200 PolarHBondContact N-SD 2.87Å; Y116-M200 VanDerWaalsContact N-SD 3.41Å; L198-M200 PolarHBondContact O-N 3.46Å; L198-M200 VanDerWaalsContact O-N 3.12Å; M200-G202 PolarHBondContact O-N 3.33Å; M200-V203 PolarHBondContact O-N 2.8Å; M200-V203 VanDerWaalsContact O-N 3.17Å; M200-Y205 HydrophobicContact CE-CE2 3.74Å; M200-Y205 WeakPolarHBondContact CG-OH 3.11Å; M200-L234 HydrophobicContact CG-CD2 3.57Å; M200-L234 HydrophobicContact SD-CD2 3.82Å
201Y97.9Very high97Very high10 Ų1023.6 Ų23.64%0.03912%0.116CC..THydrogen-bonded Turntrans-61.2121.8-176.7175.8-83.4000111.7Y85 V89 V106 A195 Q196 L198 V203Y85-Y201 HydrophobicContact CD1-CD1 4.16Å; Y85-Y201 AromaticContact CD1-CE1 3.61Å; Y85-Y201 HydrophobicContact CD1-CE1 3.61Å; Y85-Y201 HydrophobicContact CD1-CE2 4.14Å; Y85-Y201 AromaticContact CD1-CZ 3.61Å; Y85-Y201 HydrophobicContact CE1-CE1 4.46Å; Y85-Y201 HydrophobicContact CE1-CE2 4.27Å; Y85-Y201 HydrophobicContact CG-CE1 4.37Å; V89-Y201 WeakPolarHBondContact CG1-OH 3.42Å; V106-Y201 HydrophobicContact CG1-CD2 4.19Å; V106-Y201 HydrophobicContact CG1-CE2 4.15Å; V106-Y201 HydrophobicContact CG2-CD2 4.23Å; V106-Y201 HydrophobicContact CG2-CE2 3.68Å; A195-Y201 HydrophobicContact CB-CD2 4.48Å; A195-Y201 WeakPolarHBondContact O-CB 3.48Å; A195-Y201 WeakPolarHBondContact O-CD2 3.28Å; Q196-Y201 HydrophobicContact CB-CD1 4.19Å; Q196-Y201 HydrophobicContact CB-CE1 3.87Å; Q196-Y201 HydrophobicContact CB-CE2 4.23Å; L198-Y201 VanDerWaalsContact O-CB 3.31Å; L198-Y201 WeakPolarHBondContact O-CB 3.16Å; L198-Y201 PolarHBondContact O-N 2.84Å; Y201-V203 PolarHBondContact O-N 2.8Å
202G96.4Very high96.7Very high9 Ų929.8 Ų29.89%0.09314%0.143CC..THydrogen-bonded Turntrans75.6-6.5-179.600000115.7M200 N204M200-G202 PolarHBondContact O-N 3.33Å; G202-N204 PolarHBondContact O-N 3.07Å; G202-N204 PolarHBondContact O-ND2 2.81Å; G202-N204 VanDerWaalsContact O-ND2 3.15Å
203V97.9Very high96.4Very high16 Ų1631.1 Ų31.110%0.09716%0.157CC..  trans-77.5116.8-170-173.50000111.8E199 M200 Y201 Y205 D221E199-V203 WeakPolarHBondContact O-CG2 3.26Å; M200-V203 PolarHBondContact O-N 2.8Å; M200-V203 VanDerWaalsContact O-N 3.17Å; Y201-V203 PolarHBondContact O-N 2.8Å; V203-Y205 HydrophobicContact CB-CD2 4.37Å; V203-Y205 HydrophobicContact CB-CE2 3.7Å; V203-Y205 HydrophobicContact CG1-CD1 4.14Å; V203-Y205 HydrophobicContact CG1-CD2 4.04Å; V203-Y205 HydrophobicContact CG1-CE1 3.75Å; V203-Y205 HydrophobicContact CG1-CE2 3.62Å; V203-Y205 HydrophobicContact CG1-CG 4.28Å; V203-Y205 VanDerWaalsContact CG1-CZ 3.47Å; V203-Y205 WeakPolarHBondContact O-CD2 3.36Å; V203-Y205 PolarHBondContact O-N 2.77Å; V203-D221 HydrophobicContact CG2-CB 4.23Å
204N96.7Very high96.3Very high37 Ų3730.8 Ų30.820%0.19816%0.159CC..EExtended strand (participates in β ladder)trans-91.5100.9174.6-78.1-108.2000110.2G202 F206 V220 L283G202-N204 PolarHBondContact O-N 3.07Å; G202-N204 PolarHBondContact O-ND2 2.81Å; G202-N204 VanDerWaalsContact O-ND2 3.15Å; N204-F206 HydrophobicContact CB-CE2 3.94Å; N204-F206 HydrophobicContact CB-CZ 4.5Å; N204-F206 WeakPolarHBondContact O-CD2 3.49Å; N204-F206 WeakPolarHBondContact O-CE2 3.49Å; N204-V220 HydrophobicContact CB-CB 4.29Å; N204-V220 PolarHBondContact N-O 3.36Å; N204-V220 PolarHBondContact O-N 2.84Å; N204-L283 HydrophobicContact CB-CD1 3.8Å; N204-L283 WeakPolarHBondContact OD1-CD1 3.35Å
205Y97Very high96.3Very high42 Ų4233.9 Ų33.917%0.16517%0.173CC..EExtended strand (participates in β ladder)trans-80.9135.7-178.2-62-89.4000113.7M200 V203 W217 L218 Y228 R233M200-Y205 HydrophobicContact CE-CE2 3.74Å; M200-Y205 WeakPolarHBondContact CG-OH 3.11Å; V203-Y205 HydrophobicContact CB-CD2 4.37Å; V203-Y205 HydrophobicContact CB-CE2 3.7Å; V203-Y205 HydrophobicContact CG1-CD1 4.14Å; V203-Y205 HydrophobicContact CG1-CD2 4.04Å; V203-Y205 HydrophobicContact CG1-CE1 3.75Å; V203-Y205 HydrophobicContact CG1-CE2 3.62Å; V203-Y205 HydrophobicContact CG1-CG 4.28Å; V203-Y205 VanDerWaalsContact CG1-CZ 3.47Å; V203-Y205 WeakPolarHBondContact O-CD2 3.36Å; V203-Y205 PolarHBondContact O-N 2.77Å; Y205-W217 HydrophobicContact CD1-CB 4.42Å; Y205-L218 CarbonylContact C-O 3.57Å; Y205-L218 WeakPolarHBondContact CA-O 3.24Å; Y205-Y228 HydrophobicContact CE1-CD1 4.47Å; Y205-Y228 HydrophobicContact CE1-CD2 4.38Å; Y205-Y228 HydrophobicContact CE1-CE1 4.11Å; Y205-Y228 HydrophobicContact CE1-CE2 4.06Å; Y205-Y228 AromaticContact CE1-CZ 3.92Å; Y205-R233 HydrophobicContact CD1-CB 4.27Å; Y205-R233 HydrophobicContact CD1-CG 3.87Å; Y205-R233 HydrophobicContact CE1-CB 3.68Å; Y205-R233 HydrophobicContact CE1-CG 3.79Å; Y205-R233 WeakPolarHBondContact CE1-O 3.45Å; Y205-R233 PolarHBondContact OH-O 3.16Å
206F96.6Very high96.2Very high13 Ų1334.2 Ų34.26%0.05718%0.175CC..EExtended strand (participates in β ladder)trans-133.1128.5174.3-63.3-79.1000111.2N204 I208 W217 L218 V220 I276 R279 I280 L283N204-F206 HydrophobicContact CB-CE2 3.94Å; N204-F206 HydrophobicContact CB-CZ 4.5Å; N204-F206 WeakPolarHBondContact O-CD2 3.49Å; N204-F206 WeakPolarHBondContact O-CE2 3.49Å; F206-I208 PolarHBondContact O-N 2.9Å; F206-W217 VanDerWaalsContact C-CE3 3.48Å; F206-W217 WeakPolarHBondContact O-CA 3.28Å; F206-L218 HydrophobicContact CB-CB 4.47Å; F206-L218 PolarHBondContact N-O 3.49Å; F206-L218 PolarHBondContact O-N 2.84Å; F206-V220 HydrophobicContact CD2-CG2 4.09Å; F206-V220 HydrophobicContact CE2-CG2 4.05Å; F206-I276 HydrophobicContact CB-CG2 4.47Å; F206-I276 HydrophobicContact CD1-CG2 3.69Å; F206-I276 HydrophobicContact CE1-CG2 4.38Å; F206-I276 HydrophobicContact CG-CG2 4.39Å; F206-R279 HydrophobicContact CE1-CB 4.14Å; F206-R279 HydrophobicContact CZ-CB 4.28Å; F206-I280 HydrophobicContact CB-CD1 4.03Å; F206-I280 HydrophobicContact CB-CG1 4.23Å; F206-I280 HydrophobicContact CD1-CD1 4.38Å; F206-I280 HydrophobicContact CD1-CG1 3.93Å; F206-I280 HydrophobicContact CD2-CD1 4.31Å; F206-I280 HydrophobicContact CD2-CG1 3.6Å; F206-I280 HydrophobicContact CE1-CG1 4.18Å; F206-I280 HydrophobicContact CE2-CG1 3.86Å; F206-I280 HydrophobicContact CG-CD1 3.97Å; F206-I280 HydrophobicContact CG-CG1 3.63Å; F206-I280 HydrophobicContact CZ-CG1 4.15Å; F206-L283 HydrophobicContact CE2-CD1 3.7Å; F206-L283 HydrophobicContact CZ-CD1 3.53Å
207S96.5Very high96.3Very high47 Ų4737 Ų3733%0.32919%0.185SC..EExtended strand (participates in β ladder)trans-70.8126170.5172.40000109.8P272S207-P272 WeakPolarHBondContact O-CD 3.35Å
208I97.3Very high96.3Very high1 Ų136.1 Ų36.11%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-135169.2-177.659.6153.9000110.6F206 L216 L218 I227 F269 Y270 F574F206-I208 PolarHBondContact O-N 2.9Å; I208-L216 HydrophobicContact CG1-CB 4.19Å; I208-L216 WeakPolarHBondContact CG1-O 3.47Å; I208-L216 PolarHBondContact N-O 2.81Å; I208-L216 PolarHBondContact O-N 2.89Å; I208-L218 HydrophobicContact CD1-CB 3.95Å; I208-L218 HydrophobicContact CG1-CB 4.15Å; I208-L218 HydrophobicContact CG2-CB 4.06Å; I208-I227 HydrophobicContact CD1-CD1 4.21Å; I208-F269 HydrophobicContact CB-CB 4.39Å; I208-F269 HydrophobicContact CB-CD2 3.83Å; I208-F269 HydrophobicContact CB-CG 4.37Å; I208-F269 HydrophobicContact CD1-CB 3.87Å; I208-F269 HydrophobicContact CD1-CD1 4.49Å; I208-F269 HydrophobicContact CD1-CD2 4.17Å; I208-F269 HydrophobicContact CD1-CG 3.94Å; I208-F269 HydrophobicContact CG2-CD2 3.44Å; I208-F269 VanDerWaalsContact CG2-CD2 3.44Å; I208-F269 HydrophobicContact CG2-CE2 3.66Å; I208-F269 HydrophobicContact CG2-CG 4.33Å; I208-Y270 CarbonylContact C-O 3.55Å; I208-Y270 WeakPolarHBondContact CA-O 3.48Å; I208-F574 HydrophobicContact CD1-CE2 4.1Å; I208-F574 HydrophobicContact CD1-CZ 4.23Å
209K97.4Very high96.4Very high74 Ų7435.6 Ų35.632%0.32218%0.178SC..EExtended strand (participates in β ladder)trans-129144.2170-70.1173.9175.2-84.30111.8G213 S214 E215 F269 Y270K209-G213 WeakPolarHBondContact CD-O 3.35Å; K209-G213 WeakPolarHBondContact CG-O 3.4Å; K209-G213 PolarHBondContact NZ-O 2.96Å; K209-S214 VanDerWaalsContact CA-O 3.27Å; K209-S214 WeakPolarHBondContact CA-O 3.23Å; K209-E215 WeakPolarHBondContact CE-OE1 2.84Å; K209-E215 HydrophobicContact CG-CG 4.18Å; K209-E215 IonicContact NZ-OE1 3.16Å; K209-E215 PolarHBondContact NZ-OE1 3.02Å; K209-F269 CarbonylContact O-C 3.6Å; K209-F269 WeakPolarHBondContact O-CA 3.34Å; K209-F269 WeakPolarHBondContact O-CB 3.18Å; K209-Y270 PolarHBondContact N-O 3.06Å; K209-Y270 PolarHBondContact O-N 2.98Å
210N95Very high96.5Very high2 Ų234.5 Ų34.51%0.01117%0.173CC..  trans-77.7-172.8167.771.85.5000111.2K212 G213 S214 F574 M577N210-K212 VanDerWaalsContact C-N 3.28Å; N210-K212 PolarHBondContact O-N 3.41Å; N210-K212 WeakPolarHBondContact OD1-CB 3.41Å; N210-K212 PolarHBondContact OD1-N 3.16Å; N210-G213 PolarHBondContact O-N 3.46Å; N210-G213 PolarHBondContact OD1-N 2.89Å; N210-G213 VanDerWaalsContact OD1-N 3.08Å; N210-S214 PolarHBondContact N-O 3.24Å; N210-S214 PolarHBondContact OD1-N 3.09Å; N210-S214 VanDerWaalsContact OD1-N 3.16Å; N210-S214 PolarHBondContact OD1-OG 3.08Å; N210-F574 HydrophobicContact CB-CD1 4.05Å; N210-F574 HydrophobicContact CB-CE1 3.42Å; N210-F574 VanDerWaalsContact CB-CE1 3.42Å; N210-F574 HydrophobicContact CB-CE2 4.13Å; N210-F574 HydrophobicContact CB-CZ 3.47Å; N210-F574 VanDerWaalsContact CB-CZ 3.47Å; N210-F574 PolarHBondContact ND2-O 3.19Å; N210-M577 PolarHBondContact ND2-O 3.04Å
211K92.2Very high96.4Very high116 Ų11634.5 Ų34.550%0.50417%0.173SC..THydrogen-bonded Turntrans-67.9-24.4-179-65.1179.9-17484.50113.8Y270 E575K211-Y270 HydrophobicContact CG-CE2 4.26Å; K211-E575 VanDerWaalsContact CB-OE2 3.28Å; K211-E575 WeakPolarHBondContact CB-OE2 3.39Å; K211-E575 WeakPolarHBondContact CG-OE1 3.41Å; K211-E575 WeakPolarHBondContact CG-OE2 3.27Å; K211-E575 PolarHBondContact N-OE2 3.29Å; K211-E575 IonicContact NZ-OE1 2.68Å; K211-E575 PolarHBondContact NZ-OE1 3.27Å
212K91.9Very high96.3Very high137 Ų13734.4 Ų34.460%0.59617%0.174SC*.THydrogen-bonded Turntrans-77.4-22.1174.9-66.7168.7170.6162.60113N210 E575 S576N210-K212 VanDerWaalsContact C-N 3.28Å; N210-K212 PolarHBondContact O-N 3.41Å; N210-K212 WeakPolarHBondContact OD1-CB 3.41Å; N210-K212 PolarHBondContact OD1-N 3.16Å; K212-E575 WeakPolarHBondContact CD-O 3.36Å; K212-E575 WeakPolarHBondContact CE-O 3.45Å; K212-E575 PolarHBondContact NZ-O 3.2Å; K212-S576 VanDerWaalsContact NZ-C 3.28Å; K212-S576 VanDerWaalsContact NZ-CA 3.35Å; K212-S576 PolarHBondContact NZ-O 3.12Å
213G92.9Very high96.3Very high28 Ų2834.6 Ų34.629%0.28917%0.173SC..  trans98.92.7-176.600000114.8K209 N210K209-G213 WeakPolarHBondContact CD-O 3.35Å; K209-G213 WeakPolarHBondContact CG-O 3.4Å; K209-G213 PolarHBondContact NZ-O 2.96Å; N210-G213 PolarHBondContact O-N 3.46Å; N210-G213 PolarHBondContact OD1-N 2.89Å; N210-G213 VanDerWaalsContact OD1-N 3.08Å
214S95.7Very high96.2Very high31 Ų3133.9 Ų33.922%0.21717%0.168CC..  trans-54.1133.7174.2-50.90000110.4K209 N210 M577K209-S214 VanDerWaalsContact CA-O 3.27Å; K209-S214 WeakPolarHBondContact CA-O 3.23Å; N210-S214 PolarHBondContact N-O 3.24Å; N210-S214 PolarHBondContact OD1-N 3.09Å; N210-S214 VanDerWaalsContact OD1-N 3.16Å; N210-S214 PolarHBondContact OD1-OG 3.08Å; S214-M577 WeakPolarHBondContact CB-OXT 3.38Å; S214-M577 VanDerWaalsContact OG-C 3.24Å; S214-M577 PolarHBondContact OG-O 2.96Å; S214-M577 PolarHBondContact OG-OXT 3.32Å
215E96.2Very high96.2Very high82 Ų8232.1 Ų32.138%0.38316%0.159SC..EExtended strand (participates in β ladder)trans-88.1122.4-176.7-64.8-167.1168.500110.9K209 Q230K209-E215 WeakPolarHBondContact CE-OE1 2.84Å; K209-E215 HydrophobicContact CG-CG 4.18Å; K209-E215 IonicContact NZ-OE1 3.16Å; K209-E215 PolarHBondContact NZ-OE1 3.02Å; E215-Q230 PolarHBondContact OE2-NE2 2.98Å
216L97.5Very high96.3Very high7 Ų730.1 Ų30.14%0.03715%0.151CC..EExtended strand (participates in β ladder)trans-137.1162.6-172.5-63.5171.9000110.2I208 I227 F574 M577I208-L216 HydrophobicContact CG1-CB 4.19Å; I208-L216 WeakPolarHBondContact CG1-O 3.47Å; I208-L216 PolarHBondContact N-O 2.81Å; I208-L216 PolarHBondContact O-N 2.89Å; L216-I227 HydrophobicContact CB-CG2 4.27Å; L216-I227 HydrophobicContact CD1-CG2 4.21Å; L216-F574 HydrophobicContact CD1-CD2 3.87Å; L216-F574 HydrophobicContact CD1-CE2 3.51Å; L216-F574 HydrophobicContact CD1-CZ 4.37Å; L216-M577 HydrophobicContact CD1-CB 4.15Å; L216-M577 HydrophobicContact CD1-SD 4.2Å; L216-M577 HydrophobicContact CD2-CB 4.41Å; L216-M577 HydrophobicContact CD2-CE 3.8Å; L216-M577 HydrophobicContact CD2-SD 4.26Å
217W98Very high96.3Very high62 Ų6229.5 Ų29.524%0.23515%0.149CC..EExtended strand (participates in β ladder)trans-103.7133170.5-66101.8000110.7Y205 F206 I227 Y228 Q230 R233Y205-W217 HydrophobicContact CD1-CB 4.42Å; F206-W217 VanDerWaalsContact C-CE3 3.48Å; F206-W217 WeakPolarHBondContact O-CA 3.28Å; W217-I227 WeakPolarHBondContact O-CA 3.44Å; W217-Y228 HydrophobicContact CB-CD2 4.39Å; W217-Y228 PolarHBondContact N-O 3.09Å; W217-Y228 PolarHBondContact O-N 2.94Å; W217-Q230 PolarHBondContact NE1-O 2.87Å; W217-R233 HydrophobicContact CD2-CG 4.36Å; W217-R233 HydrophobicContact CG-CG 3.99Å
218L98.3Very high96.4Very high0 Ų027.5 Ų27.50%013%0.134CC..EExtended strand (participates in β ladder)trans-96.5118.8161.4174.270.6000108.4Y205 F206 I208 V220 L225 I227 F269 I280Y205-L218 CarbonylContact C-O 3.57Å; Y205-L218 WeakPolarHBondContact CA-O 3.24Å; F206-L218 HydrophobicContact CB-CB 4.47Å; F206-L218 PolarHBondContact N-O 3.49Å; F206-L218 PolarHBondContact O-N 2.84Å; I208-L218 HydrophobicContact CD1-CB 3.95Å; I208-L218 HydrophobicContact CG1-CB 4.15Å; I208-L218 HydrophobicContact CG2-CB 4.06Å; L218-V220 HydrophobicContact CD2-CG2 4.2Å; L218-V220 HydrophobicContact CG-CG2 4.21Å; L218-L225 HydrophobicContact CD1-CB 4.2Å; L218-L225 HydrophobicContact CD1-CD2 4.33Å; L218-I227 HydrophobicContact CB-CD1 4.48Å; L218-I227 HydrophobicContact CD1-CD1 3.62Å; L218-F269 HydrophobicContact CD2-CE1 4.06Å; L218-F269 HydrophobicContact CD2-CE2 4.05Å; L218-F269 HydrophobicContact CD2-CZ 3.53Å; L218-I280 HydrophobicContact CD2-CD1 4.08Å; L218-I280 HydrophobicContact CD2-CG1 4.4Å; L218-I280 HydrophobicContact CD2-CG2 3.89Å
219G98.3Very high96.3Very high0 Ų031.6 Ų31.60%015%0.153CC..EExtended strand (participates in β ladder)trans-90.1136.6162.100000110.6N226G219-N226 PolarHBondContact N-O 2.72Å; G219-N226 PolarHBondContact O-N 3.39Å
220V98.2Very high96.1Very high0 Ų032.7 Ų32.70%016%0.159CC..EExtended strand (participates in β ladder)trans-117.4122.9170.4-172.70000108.2N204 F206 L218 L225 W242 I280 L283N204-V220 HydrophobicContact CB-CB 4.29Å; N204-V220 PolarHBondContact N-O 3.36Å; N204-V220 PolarHBondContact O-N 2.84Å; F206-V220 HydrophobicContact CD2-CG2 4.09Å; F206-V220 HydrophobicContact CE2-CG2 4.05Å; L218-V220 HydrophobicContact CD2-CG2 4.2Å; L218-V220 HydrophobicContact CG-CG2 4.21Å; V220-L225 HydrophobicContact CB-CD2 4.03Å; V220-L225 HydrophobicContact CG1-CD2 3.81Å; V220-L225 HydrophobicContact CG2-CD2 3.72Å; V220-W242 HydrophobicContact CG1-CH2 4.28Å; V220-W242 HydrophobicContact CG1-CZ2 4.19Å; V220-I280 HydrophobicContact CG2-CG2 4.48Å; V220-L283 HydrophobicContact CG1-CB 4.04Å
221D97Very high96.1Very high11 Ų1139.5 Ų39.56%0.05920%0.196CC..  trans-143.3-176.2-178.161.654.1000112.4V203 L223 G224 N226 W242 N287V203-D221 HydrophobicContact CG2-CB 4.23Å; D221-L223 VanDerWaalsContact C-N 3.25Å; D221-L223 PolarHBondContact O-N 2.69Å; D221-L223 WeakPolarHBondContact OD1-CA 3.07Å; D221-L223 WeakPolarHBondContact OD1-CB 3.06Å; D221-L223 PolarHBondContact OD1-N 3.03Å; D221-G224 PolarHBondContact N-O 2.84Å; D221-G224 VanDerWaalsContact N-O 3.16Å; D221-G224 PolarHBondContact OD1-N 2.81Å; D221-N226 PolarHBondContact OD2-ND2 3.05Å; D221-W242 PolarHBondContact O-NE1 3.43Å; D221-W242 VanDerWaalsContact O-NE1 3.12Å; D221-N287 WeakPolarHBondContact O-CB 3.3Å
222A96.1Very high96.2Very high7 Ų734.5 Ų34.56%0.05817%0.174CC..SBendtrans-65.4-25.7-179.200000113.5Y85 E87 W242Y85-A222 WeakPolarHBondContact O-CB 3.42Å; E87-A222 HydrophobicContact CB-CB 4.47Å; A222-W242 VanDerWaalsContact O-CD1 3.23Å; A222-W242 PolarHBondContact O-NE1 3.18Å
223L94.8Very high96.4Very high14 Ų1432.8 Ų32.87%0.07316%0.164CC..SBendtrans-94.9-21.2-174.3-63.2164.5000112.5E87 D221 E505 Y556 L559 R563E87-L223 HydrophobicContact CG-CD2 3.77Å; D221-L223 VanDerWaalsContact C-N 3.25Å; D221-L223 PolarHBondContact O-N 2.69Å; D221-L223 WeakPolarHBondContact OD1-CA 3.07Å; D221-L223 WeakPolarHBondContact OD1-CB 3.06Å; D221-L223 PolarHBondContact OD1-N 3.03Å; L223-E505 HydrophobicContact CD2-CB 3.76Å; L223-E505 HydrophobicContact CD2-CG 3.68Å; L223-Y556 HydrophobicContact CD1-CE1 4.24Å; L223-L559 HydrophobicContact CD1-CD1 3.67Å; L223-R563 VanDerWaalsContact C-NH2 3.33Å; L223-R563 PolarHBondContact O-NH2 3.2Å
224G95.7Very high96.5Very high0 Ų031.5 Ų31.50%015%0.151CC..EExtended strand (participates in β ladder)trans160.5-146.1176.100000115.1D221 F240D221-G224 PolarHBondContact N-O 2.84Å; D221-G224 VanDerWaalsContact N-O 3.16Å; D221-G224 PolarHBondContact OD1-N 2.81Å; G224-F240 WeakPolarHBondContact CA-O 3.42Å
225L97.9Very high96.6Very high0 Ų030.5 Ų30.50%014%0.143CC..EExtended strand (participates in β ladder)trans-119.4128.8174.8-62.5-178.1000110L218 V220 F240 W242 I245 I257L218-L225 HydrophobicContact CD1-CB 4.2Å; L218-L225 HydrophobicContact CD1-CD2 4.33Å; V220-L225 HydrophobicContact CB-CD2 4.03Å; V220-L225 HydrophobicContact CG1-CD2 3.81Å; V220-L225 HydrophobicContact CG2-CD2 3.72Å; L225-F240 HydrophobicContact CB-CB 4.37Å; L225-F240 PolarHBondContact N-O 3.3Å; L225-F240 PolarHBondContact O-N 3.12Å; L225-W242 HydrophobicContact CD1-CH2 4.31Å; L225-W242 HydrophobicContact CD1-CZ3 4.28Å; L225-W242 HydrophobicContact CD2-CH2 3.58Å; L225-W242 HydrophobicContact CD2-CZ2 4.14Å; L225-W242 HydrophobicContact CD2-CZ3 4.34Å; L225-W242 HydrophobicContact CG-CH2 3.73Å; L225-W242 HydrophobicContact CG-CZ2 4.4Å; L225-W242 HydrophobicContact CG-CZ3 4.03Å; L225-I245 HydrophobicContact CD1-CD1 3.72Å; L225-I245 HydrophobicContact CG-CD1 4Å; L225-I257 HydrophobicContact CD1-CD1 3.25Å
226N98Very high96.6Very high1 Ų127.1 Ų27.11%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-127137-173.9-64.5-51.7000110G219 D221 Y228 P236 I238 L559G219-N226 PolarHBondContact N-O 2.72Å; G219-N226 PolarHBondContact O-N 3.39Å; D221-N226 PolarHBondContact OD2-ND2 3.05Å; N226-Y228 HydrophobicContact CB-CE2 3.69Å; N226-Y228 WeakPolarHBondContact O-CE2 3.48Å; N226-P236 HydrophobicContact CB-CB 3.83Å; N226-P236 HydrophobicContact CB-CG 4.44Å; N226-I238 WeakPolarHBondContact CA-O 3.37Å; N226-L559 WeakPolarHBondContact OD1-CD2 3.41Å
227I98.1Very high96.5Very high0 Ų029.4 Ų29.40%014%0.138CC..EExtended strand (participates in β ladder)trans-106.8135.8177.8-47.4-60.8000110.3I208 L216 W217 L218 P236 K237 I238 F240 F267 F574I208-I227 HydrophobicContact CD1-CD1 4.21Å; L216-I227 HydrophobicContact CB-CG2 4.27Å; L216-I227 HydrophobicContact CD1-CG2 4.21Å; W217-I227 WeakPolarHBondContact O-CA 3.44Å; L218-I227 HydrophobicContact CB-CD1 4.48Å; L218-I227 HydrophobicContact CD1-CD1 3.62Å; I227-P236 CarbonylContact O-C 3.57Å; I227-P236 WeakPolarHBondContact O-CA 3.48Å; I227-K237 PolarHBondContact O-N 3.3Å; I227-I238 HydrophobicContact CB-CB 4.22Å; I227-I238 HydrophobicContact CG1-CB 4.35Å; I227-I238 PolarHBondContact N-O 3.01Å; I227-F240 HydrophobicContact CG1-CE2 4.41Å; I227-F267 HydrophobicContact CD1-CE1 4.3Å; I227-F267 HydrophobicContact CD1-CZ 3.73Å; I227-F267 HydrophobicContact CG1-CZ 4.02Å; I227-F574 HydrophobicContact CD1-CE2 4.44Å; I227-F574 HydrophobicContact CG1-CD2 4.24Å; I227-F574 HydrophobicContact CG1-CE2 4.48Å; I227-F574 HydrophobicContact CG2-CD2 3.95Å; I227-F574 HydrophobicContact CG2-CE2 4.02Å
228Y97.8Very high96.4Very high4 Ų426.4 Ų26.42%0.01613%0.127CC..EExtended strand (participates in β ladder)trans-131.1154.7-178.9-40.2-124.4000111.1Y205 W217 N226 D232 R233 P236Y205-Y228 HydrophobicContact CE1-CD1 4.47Å; Y205-Y228 HydrophobicContact CE1-CD2 4.38Å; Y205-Y228 HydrophobicContact CE1-CE1 4.11Å; Y205-Y228 HydrophobicContact CE1-CE2 4.06Å; Y205-Y228 AromaticContact CE1-CZ 3.92Å; W217-Y228 HydrophobicContact CB-CD2 4.39Å; W217-Y228 PolarHBondContact N-O 3.09Å; W217-Y228 PolarHBondContact O-N 2.94Å; N226-Y228 HydrophobicContact CB-CE2 3.69Å; N226-Y228 WeakPolarHBondContact O-CE2 3.48Å; Y228-D232 WeakPolarHBondContact CB-O 3.28Å; Y228-R233 VanDerWaalsContact CE1-O 3.28Å; Y228-R233 WeakPolarHBondContact CE1-O 3.49Å; Y228-P236 HydrophobicContact CD1-CB 3.84Å; Y228-P236 HydrophobicContact CD1-CG 4.47Å; Y228-P236 HydrophobicContact CD2-CB 4.32Å; Y228-P236 HydrophobicContact CE1-CB 3.66Å; Y228-P236 HydrophobicContact CE1-CG 3.93Å; Y228-P236 HydrophobicContact CE2-CB 4.11Å; Y228-P236 HydrophobicContact CG-CB 4.16Å
229E96.1Very high96.3Very high87 Ų8726.4 Ų26.441%0.40713%0.127SC..EExtended strand (participates in β ladder)trans-69.7155.9174.2-68.5166.9159.600111.4N231 D232 K237 M577E229-N231 PolarHBondContact O-N 2.63Å; E229-D232 HydrophobicContact CB-CB 4.45Å; E229-D232 PolarHBondContact O-N 2.72Å; E229-D232 VanDerWaalsContact O-N 3.15Å; E229-K237 HydrophobicContact CG-CG 4.19Å; E229-K237 WeakPolarHBondContact OE1-CE 3.47Å; E229-K237 WeakPolarHBondContact OE2-CE 3.4Å; E229-K237 IonicContact OE2-NZ 3.82Å; E229-K237 PolarHBondContact OE2-NZ 2.75Å; E229-M577 HydrophobicContact CG-CE 3.75Å
230Q93.1Very high96.1Very high97 Ų9726.8 Ų26.845%0.45313%0.128SC..THydrogen-bonded Turntrans-52.8-34.5-175.6-171.1159.330.500114.7E215 W217E215-Q230 PolarHBondContact OE2-NE2 2.98Å; W217-Q230 PolarHBondContact NE1-O 2.87Å
231N93.5Very high95.9Very high145 Ų14526.8 Ų26.878%0.77513%0.128SC*.THydrogen-bonded Turntrans-101.5-4.1-173.8-62.5-28000114.2E229E229-N231 PolarHBondContact O-N 2.63Å
232D95.5Very high95.8Very high11 Ų1126.2 Ų26.26%0.05913%0.125CC..  trans-125117.2-179.8179.30.5000108.8Y228 E229 L234 T235 K237 I544Y228-D232 WeakPolarHBondContact CB-O 3.28Å; E229-D232 HydrophobicContact CB-CB 4.45Å; E229-D232 PolarHBondContact O-N 2.72Å; E229-D232 VanDerWaalsContact O-N 3.15Å; D232-L234 PolarHBondContact OD1-N 2.69Å; D232-T235 PolarHBondContact OD1-N 3.33Å; D232-T235 PolarHBondContact OD1-OG1 2.75Å; D232-T235 WeakPolarHBondContact OD2-CB 3.45Å; D232-T235 PolarHBondContact OD2-OG1 2.94Å; D232-K237 IonicContact OD2-NZ 3.63Å; D232-K237 PolarHBondContact OD2-NZ 2.82Å; D232-I544 HydrophobicContact CB-CD1 4.02Å
233R95.3Very high95.5Very high101 Ų10127 Ų2738%0.38113%0.13SC..SBendtrans-113.54.1173.9-79.6-175-76.3149-1.4113.1Y205 W217 Y228Y205-R233 HydrophobicContact CD1-CB 4.27Å; Y205-R233 HydrophobicContact CD1-CG 3.87Å; Y205-R233 HydrophobicContact CE1-CB 3.68Å; Y205-R233 HydrophobicContact CE1-CG 3.79Å; Y205-R233 WeakPolarHBondContact CE1-O 3.45Å; Y205-R233 PolarHBondContact OH-O 3.16Å; W217-R233 HydrophobicContact CD2-CG 4.36Å; W217-R233 HydrophobicContact CG-CG 3.99Å; Y228-R233 VanDerWaalsContact CE1-O 3.28Å; Y228-R233 WeakPolarHBondContact CE1-O 3.49Å
234L95.5Very high95.4Very high2 Ų227.4 Ų27.41%0.0113%0.132CC..SBendtrans-96.3-44.3176.6-64.4179.4000111.6Y116 E199 M200 D232 P236 N541 I544 H545Y116-L234 HydrophobicContact CD1-CD1 4.06Å; Y116-L234 HydrophobicContact CD1-CD2 4.08Å; Y116-L234 HydrophobicContact CE1-CD1 4.41Å; Y116-L234 HydrophobicContact CG-CD1 4.41Å; Y116-L234 HydrophobicContact CG-CD2 4.18Å; E199-L234 HydrophobicContact CB-CD2 4.17Å; M200-L234 HydrophobicContact CG-CD2 3.57Å; M200-L234 HydrophobicContact SD-CD2 3.82Å; D232-L234 PolarHBondContact OD1-N 2.69Å; L234-P236 WeakPolarHBondContact O-CD 3.3Å; L234-N541 HydrophobicContact CD1-CB 3.89Å; L234-N541 WeakPolarHBondContact CD1-O 3.38Å; L234-I544 HydrophobicContact CB-CG2 3.92Å; L234-I544 HydrophobicContact CD1-CB 4.2Å; L234-I544 HydrophobicContact CD1-CG2 4.09Å; L234-I544 HydrophobicContact CG-CG2 4.49Å; L234-H545 HydrophobicContact CD1-CB 4.06Å
235T96.8Very high95.3Very high10 Ų1027.5 Ų27.56%0.06113%0.132CC..SBendtrans-101.197.2-176.4-18.10000110.2D232 I544 N548 T558D232-T235 PolarHBondContact OD1-N 3.33Å; D232-T235 PolarHBondContact OD1-OG1 2.75Å; D232-T235 WeakPolarHBondContact OD2-CB 3.45Å; D232-T235 PolarHBondContact OD2-OG1 2.94Å; T235-I544 VanDerWaalsContact OG1-CG2 3.23Å; T235-I544 WeakPolarHBondContact OG1-CG2 3.35Å; T235-N548 WeakPolarHBondContact CG2-OD1 3.21Å; T235-N548 PolarHBondContact OG1-ND2 3.17Å; T235-T558 HydrophobicContact CG2-CG2 3.95Å
236P97Very high94.9Very high10 Ų1030.5 Ų30.57%0.06514%0.144CC..  trans-64.7147.4167.927-30.6000109.5N226 I227 Y228 L234 T558 I562N226-P236 HydrophobicContact CB-CB 3.83Å; N226-P236 HydrophobicContact CB-CG 4.44Å; I227-P236 CarbonylContact O-C 3.57Å; I227-P236 WeakPolarHBondContact O-CA 3.48Å; Y228-P236 HydrophobicContact CD1-CB 3.84Å; Y228-P236 HydrophobicContact CD1-CG 4.47Å; Y228-P236 HydrophobicContact CD2-CB 4.32Å; Y228-P236 HydrophobicContact CE1-CB 3.66Å; Y228-P236 HydrophobicContact CE1-CG 3.93Å; Y228-P236 HydrophobicContact CE2-CB 4.11Å; Y228-P236 HydrophobicContact CG-CB 4.16Å; L234-P236 WeakPolarHBondContact O-CD 3.3Å; P236-T558 HydrophobicContact CG-CG2 4.34Å; P236-I562 HydrophobicContact CB-CD1 3.5Å; P236-I562 HydrophobicContact CG-CD1 3.54Å
237K95.4Very high94.7Very high55 Ų5531.4 Ų31.424%0.23915%0.148CC..SBendtrans-101.7-31.4179.3-46.4-49.9-167.5-160.10112.5I227 E229 D232 I562 M577I227-K237 PolarHBondContact O-N 3.3Å; E229-K237 HydrophobicContact CG-CG 4.19Å; E229-K237 WeakPolarHBondContact OE1-CE 3.47Å; E229-K237 WeakPolarHBondContact OE2-CE 3.4Å; E229-K237 IonicContact OE2-NZ 3.82Å; E229-K237 PolarHBondContact OE2-NZ 2.75Å; D232-K237 IonicContact OD2-NZ 3.63Å; D232-K237 PolarHBondContact OD2-NZ 2.82Å; K237-I562 WeakPolarHBondContact O-CB 3.41Å; K237-I562 WeakPolarHBondContact O-CG2 3.43Å; K237-M577 HydrophobicContact CB-CE 4.39Å; K237-M577 HydrophobicContact CG-CE 4.09Å
238I95.9Very high94.6Very high0 Ų031.4 Ų31.40%015%0.148CC..EExtended strand (participates in β ladder)trans-135.1126-174.7-53.4172.1000108.8N226 I227 F240 R570 E573 F574 M577N226-I238 WeakPolarHBondContact CA-O 3.37Å; I227-I238 HydrophobicContact CB-CB 4.22Å; I227-I238 HydrophobicContact CG1-CB 4.35Å; I227-I238 PolarHBondContact N-O 3.01Å; I238-F240 HydrophobicContact CG2-CE2 3.79Å; I238-F240 HydrophobicContact CG2-CZ 3.87Å; I238-R570 HydrophobicContact CG2-CB 3.75Å; I238-R570 HydrophobicContact CG2-CG 4.17Å; I238-R570 WeakPolarHBondContact CG2-O 3.3Å; I238-E573 HydrophobicContact CD1-CB 4.12Å; I238-E573 HydrophobicContact CD1-CG 3.96Å; I238-E573 HydrophobicContact CG1-CG 4.33Å; I238-F574 HydrophobicContact CD1-CB 3.68Å; I238-M577 HydrophobicContact CD1-SD 3.8Å
239G95.7Very high94.4Very high0 Ų032.5 Ų32.50%016%0.157CC..EExtended strand (participates in β ladder)trans-117.4140.3179.500000113.3I562 R570G239-I562 PolarHBondContact N-O 3.31Å; G239-R570 PolarHBondContact O-NH1 3.33Å
240F95Very high94.4Very high7 Ų729.6 Ų29.63%0.03114%0.143CC..EExtended strand (participates in β ladder)trans-123102.5169.8-58.4-80.6000108.5G224 L225 I227 I238 I245 F267 T567 R570 I571G224-F240 WeakPolarHBondContact CA-O 3.42Å; L225-F240 HydrophobicContact CB-CB 4.37Å; L225-F240 PolarHBondContact N-O 3.3Å; L225-F240 PolarHBondContact O-N 3.12Å; I227-F240 HydrophobicContact CG1-CE2 4.41Å; I238-F240 HydrophobicContact CG2-CE2 3.79Å; I238-F240 HydrophobicContact CG2-CZ 3.87Å; F240-I245 HydrophobicContact CB-CD1 4.22Å; F240-I245 HydrophobicContact CB-CG1 4.41Å; F240-F267 HydrophobicContact CE2-CD1 4.47Å; F240-F267 AromaticContact CE2-CD2 3.94Å; F240-F267 HydrophobicContact CE2-CD2 3.94Å; F240-F267 HydrophobicContact CE2-CE1 4.21Å; F240-F267 AromaticContact CE2-CE2 3.62Å; F240-F267 HydrophobicContact CE2-CE2 3.62Å; F240-F267 HydrophobicContact CE2-CG 4.34Å; F240-F267 AromaticContact CE2-CZ 3.8Å; F240-F267 HydrophobicContact CE2-CZ 3.8Å; F240-F267 AromaticContact CZ-CD2 3.71Å; F240-F267 HydrophobicContact CZ-CD2 3.71Å; F240-F267 AromaticContact CZ-CE2 3.78Å; F240-F267 HydrophobicContact CZ-CE2 3.78Å; F240-F267 HydrophobicContact CZ-CG 4.23Å; F240-F267 HydrophobicContact CZ-CZ 4.4Å; F240-T567 HydrophobicContact CD1-CG2 3.88Å; F240-T567 HydrophobicContact CE1-CG2 3.83Å; F240-R570 HydrophobicContact CE1-CB 4.21Å; F240-R570 HydrophobicContact CZ-CB 4.34Å; F240-I571 HydrophobicContact CE1-CD1 4.5Å; F240-I571 HydrophobicContact CE1-CG1 3.85Å; F240-I571 HydrophobicContact CZ-CG1 3.91Å
241P94.5Very high94.4Very high0 Ų031.4 Ų31.40%016%0.156CC..EExtended strand (participates in β ladder)trans-66.2153.9175.629.3-34.2000110.4S243 E244P241-S243 PolarHBondContact O-N 3.2Å; P241-E244 HydrophobicContact CG-CB 4.01Å; P241-E244 HydrophobicContact CG-CG 3.75Å; P241-E244 PolarHBondContact O-N 3.48Å
242W94.1Very high94.3Very high0 Ų028.3 Ų28.30%014%0.139CC..G310 helixtrans-56-37.3178.8-72.1125000112.5V220 D221 A222 L225 E244 I245 C284 N287 H288 Y291 L494V220-W242 HydrophobicContact CG1-CH2 4.28Å; V220-W242 HydrophobicContact CG1-CZ2 4.19Å; D221-W242 PolarHBondContact O-NE1 3.43Å; D221-W242 VanDerWaalsContact O-NE1 3.12Å; A222-W242 VanDerWaalsContact O-CD1 3.23Å; A222-W242 PolarHBondContact O-NE1 3.18Å; L225-W242 HydrophobicContact CD1-CH2 4.31Å; L225-W242 HydrophobicContact CD1-CZ3 4.28Å; L225-W242 HydrophobicContact CD2-CH2 3.58Å; L225-W242 HydrophobicContact CD2-CZ2 4.14Å; L225-W242 HydrophobicContact CD2-CZ3 4.34Å; L225-W242 HydrophobicContact CG-CH2 3.73Å; L225-W242 HydrophobicContact CG-CZ2 4.4Å; L225-W242 HydrophobicContact CG-CZ3 4.03Å; W242-E244 PolarHBondContact O-N 3.36Å; W242-E244 VanDerWaalsContact O-N 3.11Å; W242-I245 HydrophobicContact CE3-CD1 3.75Å; W242-I245 HydrophobicContact CZ3-CD1 3.83Å; W242-I245 PolarHBondContact O-N 3.48Å; W242-I245 VanDerWaalsContact O-N 3.09Å; W242-C284 HydrophobicContact CH2-CB 3.61Å; W242-C284 HydrophobicContact CZ3-CB 3.99Å; W242-N287 HydrophobicContact CZ2-CB 3.7Å; W242-H288 HydrophobicContact CD2-CB 4.14Å; W242-H288 HydrophobicContact CE3-CB 3.94Å; W242-H288 HydrophobicContact CZ3-CB 4.41Å; W242-Y291 HydrophobicContact CB-CD1 3.41Å; W242-Y291 VanDerWaalsContact CB-CD1 3.41Å; W242-Y291 HydrophobicContact CB-CD2 3.91Å; W242-Y291 HydrophobicContact CB-CE1 3.59Å; W242-Y291 HydrophobicContact CB-CE2 4.05Å; W242-Y291 HydrophobicContact CB-CG 3.58Å; W242-Y291 AromaticContact CD1-CD2 3.73Å; W242-Y291 AromaticContact CD1-CG 3.83Å; W242-Y291 HydrophobicContact CG-CD1 4.31Å; W242-Y291 HydrophobicContact CG-CD2 4.21Å; W242-Y291 HydrophobicContact CG-CG 4.01Å; W242-L494 HydrophobicContact CE3-CD1 4.41Å; W242-L494 HydrophobicContact CZ3-CD1 4.33Å
243S90.5Very high94.2Very high23 Ų2332.8 Ų32.816%0.16116%0.158CC..G310 helixtrans-65.3-4.7174.651.60000116.1P241 I260 Y291P241-S243 PolarHBondContact O-N 3.2Å; S243-I260 WeakPolarHBondContact O-CD1 3.4Å; S243-Y291 VanDerWaalsContact CB-OH 3.31Å; S243-Y291 WeakPolarHBondContact CB-OH 3.33Å; S243-Y291 PolarHBondContact OG-OH 2.98Å
244E92.1Very high94.2Very high23 Ų2332.1 Ų32.111%0.10716%0.158CC..G310 helixtrans-103.3-9.4171-79.8-178-153.100113.7P241 W242 P259 I260 T567 R570P241-E244 HydrophobicContact CG-CB 4.01Å; P241-E244 HydrophobicContact CG-CG 3.75Å; P241-E244 PolarHBondContact O-N 3.48Å; W242-E244 PolarHBondContact O-N 3.36Å; W242-E244 VanDerWaalsContact O-N 3.11Å; E244-P259 CarbonylContact O-C 3.57Å; E244-P259 WeakPolarHBondContact O-CA 3.49Å; E244-I260 PolarHBondContact O-N 3.05Å; E244-T567 WeakPolarHBondContact OE2-CG2 3.34Å; E244-T567 PolarHBondContact OE2-OG1 3.47Å; E244-R570 IonicContact OE1-CZ 3.81Å; E244-R570 IonicContact OE1-NH1 3.32Å; E244-R570 IonicContact OE1-NH2 2.62Å; E244-R570 PolarHBondContact OE1-NH2 3.29Å; E244-R570 IonicContact OE2-CZ 3.21Å; E244-R570 IonicContact OE2-NH1 2.78Å; E244-R570 PolarHBondContact OE2-NH1 3.41Å; E244-R570 IonicContact OE2-NH2 2.74Å; E244-R570 PolarHBondContact OE2-NH2 3.03Å
245I92.8Very high94.3Very high2 Ų232 Ų321%0.0116%0.158CC..EExtended strand (participates in β ladder)trans-98.4119.9-171.9-61.6167.7000110.1L225 F240 W242 I248 I257 L494L225-I245 HydrophobicContact CD1-CD1 3.72Å; L225-I245 HydrophobicContact CG-CD1 4Å; F240-I245 HydrophobicContact CB-CD1 4.22Å; F240-I245 HydrophobicContact CB-CG1 4.41Å; W242-I245 HydrophobicContact CE3-CD1 3.75Å; W242-I245 HydrophobicContact CZ3-CD1 3.83Å; W242-I245 PolarHBondContact O-N 3.48Å; W242-I245 VanDerWaalsContact O-N 3.09Å; I245-I248 HydrophobicContact CG2-CG2 3.82Å; I245-I257 HydrophobicContact CG1-CG2 4.17Å; I245-I257 HydrophobicContact CG2-CG2 3.71Å; I245-L494 HydrophobicContact CG2-CD1 3.95Å; I245-L494 VanDerWaalsContact O-O 3.12Å
246R91.2Very high94.3Very high62 Ų6232.3 Ų32.323%0.23416%0.159CC..EExtended strand (participates in β ladder)trans-85.2-44.5179175.9-178.7-62-71.1-1112.8K258 P259 I260 L494R246-K258 WeakPolarHBondContact CA-O 3.13Å; R246-K258 WeakPolarHBondContact CB-O 3.45Å; R246-K258 PolarHBondContact N-O 2.98Å; R246-P259 VanDerWaalsContact CB-O 3.25Å; R246-P259 WeakPolarHBondContact CB-O 3.35Å; R246-P259 PolarHBondContact NE-O 3.08Å; R246-I260 HydrophobicContact CB-CG1 3.81Å; R246-I260 PolarHBondContact NH2-O 3.17Å; R246-L494 CarbonylContact O-C 3.49Å; R246-L494 WeakPolarHBondContact O-CA 3.26Å; R246-L494 PolarHBondContact O-N 3.02Å
247N93Very high94.3Very high20 Ų2032.1 Ų32.111%0.10716%0.158CC..EExtended strand (participates in β ladder)trans-156.9142.6-169.9176.6-87000110.3K258 S491 A492N247-K258 HydrophobicContact CB-CB 4.17Å; N247-K258 HydrophobicContact CB-CD 4.28Å; N247-K258 HydrophobicContact CB-CG 4.34Å; N247-K258 PolarHBondContact N-O 2.73Å; N247-K258 PolarHBondContact O-N 3.25Å; N247-S491 PolarHBondContact ND2-OG 3.48Å; N247-S491 PolarHBondContact OD1-OG 2.93Å; N247-A492 VanDerWaalsContact CA-O 3.31Å; N247-A492 WeakPolarHBondContact CA-O 3.31Å; N247-A492 PolarHBondContact ND2-O 3.34Å; N247-A492 VanDerWaalsContact ND2-O 3.13Å
248I95Very high94.2Very high0 Ų033 Ų330%016%0.161CC..EExtended strand (participates in β ladder)trans-125.7142.1173.854.8175.2000110.9I245 F255 I257 L281 C284 S491 A492 L494I245-I248 HydrophobicContact CG2-CG2 3.82Å; I248-F255 HydrophobicContact CB-CE1 4.02Å; I248-F255 HydrophobicContact CB-CZ 4.3Å; I248-F255 HydrophobicContact CG2-CE1 4.27Å; I248-I257 HydrophobicContact CG2-CB 4.33Å; I248-I257 HydrophobicContact CG2-CD1 4.2Å; I248-I257 HydrophobicContact CG2-CG1 3.97Å; I248-I257 HydrophobicContact CG2-CG2 4.02Å; I248-L281 HydrophobicContact CB-CD1 4.27Å; I248-L281 HydrophobicContact CD1-CD1 3.46Å; I248-L281 VanDerWaalsContact CD1-CD1 3.46Å; I248-L281 HydrophobicContact CG1-CD1 3.54Å; I248-C284 HydrophobicContact CD1-CB 3.27Å; I248-S491 WeakPolarHBondContact O-CA 3.45Å; I248-S491 PolarHBondContact O-OG 2.91Å; I248-S491 VanDerWaalsContact O-OG 3.07Å; I248-A492 HydrophobicContact CD1-CB 4.45Å; I248-A492 HydrophobicContact CG1-CB 3.94Å; I248-A492 PolarHBondContact N-O 3.45Å; I248-A492 PolarHBondContact O-N 2.62Å; I248-L494 HydrophobicContact CD1-CD1 3.78Å; I248-L494 HydrophobicContact CD1-CG 4.46Å; I248-L494 HydrophobicContact CG1-CD1 3.85Å; I248-L494 HydrophobicContact CG1-CG 4.15Å; I248-L494 HydrophobicContact CG2-CD1 4.19Å
249S95.2Very high94.1Very high28 Ų2833.6 Ų33.620%0.19617%0.165CC..EExtended strand (participates in β ladder)trans-158.3166.1-179.558.10000110.8V256S249-V256 PolarHBondContact N-O 2.98Å; S249-V256 PolarHBondContact O-N 3.41Å
250F94.9Very high93.8Very high25 Ų2536.3 Ų36.311%0.1118%0.179CC..EExtended strand (participates in β ladder)trans-142160167.763.6-103.4000110.9K254 F255 L274 N277 K278 L281F250-K254 CarbonylContact C-O 3.59Å; F250-K254 WeakPolarHBondContact CA-O 2.91Å; F250-K254 WeakPolarHBondContact CB-O 3.37Å; F250-F255 HydrophobicContact CB-CD2 3.79Å; F250-F255 HydrophobicContact CB-CE2 4.32Å; F250-F255 HydrophobicContact CB-CG 4.3Å; F250-F255 HydrophobicContact CD1-CD2 4.32Å; F250-F255 HydrophobicContact CD1-CE2 4.08Å; F250-L274 HydrophobicContact CD2-CD1 3.88Å; F250-L274 HydrophobicContact CE2-CD1 3.47Å; F250-L274 VanDerWaalsContact CE2-CD1 3.47Å; F250-L274 HydrophobicContact CZ-CD1 4.31Å; F250-N277 HydrophobicContact CB-CB 3.85Å; F250-N277 HydrophobicContact CD1-CB 3.74Å; F250-N277 HydrophobicContact CD2-CB 4.09Å; F250-N277 HydrophobicContact CE1-CB 4.38Å; F250-N277 HydrophobicContact CG-CB 3.61Å; F250-K278 HydrophobicContact CE1-CG 3.82Å; F250-K278 HydrophobicContact CE2-CG 4.02Å; F250-K278 HydrophobicContact CZ-CB 4.44Å; F250-K278 HydrophobicContact CZ-CD 4.09Å; F250-K278 HydrophobicContact CZ-CG 3.29Å; F250-L281 HydrophobicContact CD1-CB 4.13Å; F250-L281 HydrophobicContact CD1-CD2 3.89Å; F250-L281 HydrophobicContact CE1-CB 4Å; F250-L281 HydrophobicContact CE1-CD2 3.45Å; F250-L281 VanDerWaalsContact CE1-CD2 3.45Å; F250-L281 HydrophobicContact CE1-CG 4.37Å; F250-L281 HydrophobicContact CZ-CD2 4.42Å
251N92.9Very high93.6Very high135 Ų13538.7 Ų38.772%0.72219%0.192SC*.EExtended strand (participates in β ladder)trans-135.1121.1163.8-172.50.5000108.8K253 K254N251-K253 PolarHBondContact O-N 3.01Å; N251-K254 PolarHBondContact N-O 2.76Å; N251-K254 PolarHBondContact O-N 2.56Å
252D92.1Very high93.3Very high81 Ų8147.3 Ų47.343%0.43323%0.23SC..THydrogen-bonded Turntrans40.8-107.8-164.3-179.844.9000112.8N277D252-N277 PolarHBondContact O-ND2 3.41Å
253K93.3Very high93.1Very high104 Ų10456 Ų5645%0.45227%0.268SS..THydrogen-bonded Turntrans-88-20.5-179.3-72165.3-176.4172.80114.2N251 Y270 A271 P272 N277N251-K253 PolarHBondContact O-N 3.01Å; K253-Y270 WeakPolarHBondContact O-CA 3.43Å; K253-A271 WeakPolarHBondContact CB-O 3.44Å; K253-A271 WeakPolarHBondContact CG-O 3.44Å; K253-A271 PolarHBondContact O-N 3.24Å; K253-P272 WeakPolarHBondContact CE-O 3.31Å; K253-N277 WeakPolarHBondContact CA-ND2 3.48Å; K253-N277 PolarHBondContact O-ND2 2.83Å
254K96.1Very high93.1Very high88 Ų8855.5 Ų55.538%0.38327%0.265SS..EExtended strand (participates in β ladder)trans-81.7118.5-179.1-174.1-172.6-177.2-171.80110.1F250 N251 V256 V268 Y270F250-K254 CarbonylContact C-O 3.59Å; F250-K254 WeakPolarHBondContact CA-O 2.91Å; F250-K254 WeakPolarHBondContact CB-O 3.37Å; N251-K254 PolarHBondContact N-O 2.76Å; N251-K254 PolarHBondContact O-N 2.56Å; K254-V256 HydrophobicContact CD-CG2 4.28Å; K254-V256 HydrophobicContact CG-CG2 4.22Å; K254-V268 HydrophobicContact CD-CG1 4.29Å; K254-V268 HydrophobicContact CG-CG1 3.91Å; K254-Y270 HydrophobicContact CB-CD1 4.07Å; K254-Y270 HydrophobicContact CB-CE1 3.85Å; K254-Y270 HydrophobicContact CD-CE1 4.37Å; K254-Y270 HydrophobicContact CG-CD1 4.34Å; K254-Y270 HydrophobicContact CG-CE1 3.8Å
255F97.9Very high93.2Very high0 Ų056.8 Ų56.80%028%0.275CS..EExtended strand (participates in β ladder)trans-96.3146.7168.4-151.6-81.8000109.6I248 F250 I257 V268 F269 N277 I280 L281I248-F255 HydrophobicContact CB-CE1 4.02Å; I248-F255 HydrophobicContact CB-CZ 4.3Å; I248-F255 HydrophobicContact CG2-CE1 4.27Å; F250-F255 HydrophobicContact CB-CD2 3.79Å; F250-F255 HydrophobicContact CB-CE2 4.32Å; F250-F255 HydrophobicContact CB-CG 4.3Å; F250-F255 HydrophobicContact CD1-CD2 4.32Å; F250-F255 HydrophobicContact CD1-CE2 4.08Å; F255-I257 HydrophobicContact CD1-CD1 4.21Å; F255-I257 HydrophobicContact CD1-CG1 3.76Å; F255-I257 HydrophobicContact CE1-CD1 4.04Å; F255-I257 HydrophobicContact CE1-CG1 3.79Å; F255-V268 WeakPolarHBondContact O-CA 3.46Å; F255-F269 HydrophobicContact CB-CD1 4.22Å; F255-F269 HydrophobicContact CB-CD2 3.82Å; F255-F269 HydrophobicContact CB-CE1 3.81Å; F255-F269 HydrophobicContact CB-CE2 3.35Å; F255-F269 HydrophobicContact CB-CG 4.23Å; F255-F269 HydrophobicContact CB-CZ 3.35Å; F255-F269 AromaticContact CD1-CE1 3.63Å; F255-F269 HydrophobicContact CD1-CE1 3.63Å; F255-F269 HydrophobicContact CD1-CE2 4.33Å; F255-F269 AromaticContact CD1-CZ 3.45Å; F255-F269 HydrophobicContact CD1-CZ 3.45Å; F255-F269 VanDerWaalsContact CD1-CZ 3.45Å; F255-F269 HydrophobicContact CD2-CE2 4.28Å; F255-F269 AromaticContact CD2-CZ 4Å; F255-F269 HydrophobicContact CD2-CZ 4Å; F255-F269 HydrophobicContact CE1-CE1 4.46Å; F255-F269 HydrophobicContact CE1-CZ 4.22Å; F255-F269 AromaticContact CG-CE1 3.9Å; F255-F269 HydrophobicContact CG-CE1 3.9Å; F255-F269 AromaticContact CG-CE2 3.77Å; F255-F269 HydrophobicContact CG-CE2 3.77Å; F255-F269 AromaticContact CG-CZ 3.32Å; F255-F269 HydrophobicContact CG-CZ 3.32Å; F255-F269 PolarHBondContact N-O 3.31Å; F255-F269 PolarHBondContact O-N 2.97Å; F255-N277 HydrophobicContact CD2-CB 3.98Å; F255-N277 HydrophobicContact CE2-CB 4.49Å; F255-I280 HydrophobicContact CD2-CB 4.47Å; F255-I280 HydrophobicContact CD2-CG2 4.23Å; F255-I280 HydrophobicContact CE1-CG2 4.38Å; F255-I280 HydrophobicContact CE2-CB 3.92Å; F255-I280 HydrophobicContact CE2-CG2 3.63Å; F255-I280 HydrophobicContact CZ-CB 4.46Å; F255-I280 HydrophobicContact CZ-CG2 3.72Å; F255-L281 HydrophobicContact CE2-CB 4.07Å; F255-L281 HydrophobicContact CZ-CB 4.21Å; F255-L281 HydrophobicContact CZ-CD1 4.46Å
256V96.6Very high93.3Very high16 Ų1659.9 Ų59.910%0.09729%0.292CS..EExtended strand (participates in β ladder)trans-136.4126.3-178.3-175.30000109.4S249 K254 K258 D266 V268S249-V256 PolarHBondContact N-O 2.98Å; S249-V256 PolarHBondContact O-N 3.41Å; K254-V256 HydrophobicContact CD-CG2 4.28Å; K254-V256 HydrophobicContact CG-CG2 4.22Å; V256-K258 HydrophobicContact CG1-CG 4.49Å; V256-D266 HydrophobicContact CG1-CB 4.03Å; V256-D266 WeakPolarHBondContact CG1-OD2 3.44Å; V256-V268 HydrophobicContact CG1-CG2 4.32Å; V256-V268 HydrophobicContact CG2-CG2 4.29Å
257I95.4Very high93.6Very high6 Ų657 Ų573%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-119.8121.2176.9-53.2-162.7000107.6L225 I245 I248 F255 F267 F269L225-I257 HydrophobicContact CD1-CD1 3.25Å; I245-I257 HydrophobicContact CG1-CG2 4.17Å; I245-I257 HydrophobicContact CG2-CG2 3.71Å; I248-I257 HydrophobicContact CG2-CB 4.33Å; I248-I257 HydrophobicContact CG2-CD1 4.2Å; I248-I257 HydrophobicContact CG2-CG1 3.97Å; I248-I257 HydrophobicContact CG2-CG2 4.02Å; F255-I257 HydrophobicContact CD1-CD1 4.21Å; F255-I257 HydrophobicContact CD1-CG1 3.76Å; F255-I257 HydrophobicContact CE1-CD1 4.04Å; F255-I257 HydrophobicContact CE1-CG1 3.79Å; I257-F267 HydrophobicContact CB-CB 4.21Å; I257-F267 HydrophobicContact CB-CD1 4.06Å; I257-F267 HydrophobicContact CD1-CD1 4.1Å; I257-F267 HydrophobicContact CD1-CE1 4.46Å; I257-F267 HydrophobicContact CG1-CD1 4.13Å; I257-F267 PolarHBondContact N-O 3.42Å; I257-F267 PolarHBondContact O-N 2.92Å; I257-F269 HydrophobicContact CD1-CE1 3.98Å; I257-F269 HydrophobicContact CG1-CE1 4.29Å
258K94.5Very high93.7Very high73 Ų7356.4 Ų56.432%0.31728%0.278SS..EExtended strand (participates in β ladder)trans-97.8123.9179.2-54.6-168.6164.2-69.60109R246 N247 V256 D266R246-K258 WeakPolarHBondContact CA-O 3.13Å; R246-K258 WeakPolarHBondContact CB-O 3.45Å; R246-K258 PolarHBondContact N-O 2.98Å; N247-K258 HydrophobicContact CB-CB 4.17Å; N247-K258 HydrophobicContact CB-CD 4.28Å; N247-K258 HydrophobicContact CB-CG 4.34Å; N247-K258 PolarHBondContact N-O 2.73Å; N247-K258 PolarHBondContact O-N 3.25Å; V256-K258 HydrophobicContact CG1-CG 4.49Å; K258-D266 WeakPolarHBondContact CG-OD1 3.4Å; K258-D266 IonicContact NZ-OD1 2.68Å; K258-D266 PolarHBondContact NZ-OD1 3.45Å; K258-D266 IonicContact NZ-OD2 3Å; K258-D266 PolarHBondContact NZ-OD2 2.94Å
259P93.4Very high93.8Very high12 Ų1256.4 Ų56.48%0.07828%0.278CS..EExtended strand (participates in β ladder)trans-66.4163.1172.9-24.436.3000113.7E244 R246 A264 P265 T567 I571E244-P259 CarbonylContact O-C 3.57Å; E244-P259 WeakPolarHBondContact O-CA 3.49Å; R246-P259 VanDerWaalsContact CB-O 3.25Å; R246-P259 WeakPolarHBondContact CB-O 3.35Å; R246-P259 PolarHBondContact NE-O 3.08Å; P259-A264 HydrophobicContact CB-CB 4.05Å; P259-A264 HydrophobicContact CG-CB 3.89Å; P259-P265 WeakPolarHBondContact CD-O 3.45Å; P259-P265 WeakPolarHBondContact CG-O 3.29Å; P259-T567 HydrophobicContact CB-CG2 4.16Å; P259-T567 HydrophobicContact CG-CG2 4.14Å; P259-I571 HydrophobicContact CG-CD1 3.94Å
260I90Very high94Very high57 Ų5759.1 Ų59.129%0.29229%0.285SS..SBendtrans-71-37.4166.4-70.3-177.2000110.7S243 E244 R246 K262S243-I260 WeakPolarHBondContact O-CD1 3.4Å; E244-I260 PolarHBondContact O-N 3.05Å; R246-I260 HydrophobicContact CB-CG1 3.81Å; R246-I260 PolarHBondContact NH2-O 3.17Å; I260-K262 PolarHBondContact O-N 2.96Å
261D89.2Confident93.9Very high57 Ų5758.1 Ų58.131%0.30528%0.28SS..SBendtrans-67.8115.2169.6-177.115000110.8K263 A264D261-K263 PolarHBondContact O-N 3.29Å; D261-K263 WeakPolarHBondContact OD1-CB 3.37Å; D261-K263 PolarHBondContact OD1-N 3.41Å; D261-A264 HydrophobicContact CB-CB 4.29Å; D261-A264 PolarHBondContact O-N 2.92Å
262K88.2Confident93.9Very high182 Ų18255.1 Ų55.179%0.79127%0.269SS*.THydrogen-bonded Turntrans-71.1-9.1176.9-61.8-177.1-179.3179.30113.4I260I260-K262 PolarHBondContact O-N 2.96Å
263K90.1Very high93.7Very high182 Ų18258.6 Ų58.679%0.79128%0.276SS*.THydrogen-bonded Turntrans-89.4-17.7173.7-55.3175.2-178.2176.60112.6D261D261-K263 PolarHBondContact O-N 3.29Å; D261-K263 WeakPolarHBondContact OD1-CB 3.37Å; D261-K263 PolarHBondContact OD1-N 3.41Å
264A92.1Very high93.4Very high12 Ų1256.7 Ų56.710%0.09927%0.27CS..SBendtrans-79.3144171.500000110.3P259 D261 K568P259-A264 HydrophobicContact CB-CB 4.05Å; P259-A264 HydrophobicContact CG-CB 3.89Å; D261-A264 HydrophobicContact CB-CB 4.29Å; D261-A264 PolarHBondContact O-N 2.92Å; A264-K568 HydrophobicContact CB-CB 4.14Å
265P94.2Very high93Very high51 Ų5156.5 Ų56.533%0.33127%0.267SS..PPolyproline II helixtrans-68.7165175.829.5-34.9000111.9P259 F267 I571P259-P265 WeakPolarHBondContact CD-O 3.45Å; P259-P265 WeakPolarHBondContact CG-O 3.29Å; P265-F267 PolarHBondContact O-N 3.09Å; P265-I571 HydrophobicContact CG-CB 4.22Å; P265-I571 HydrophobicContact CG-CD1 4.1Å; P265-I571 HydrophobicContact CG-CG2 3.87Å; P265-I571 VanDerWaalsContact O-CD1 3.23Å; P265-I571 WeakPolarHBondContact O-CD1 3.44Å
266D94.9Very high92.6Very high66 Ų6658.4 Ų58.435%0.35328%0.277SS..PPolyproline II helixtrans-62.2125.1165-81.57.3000109.7V256 K258 V268V256-D266 HydrophobicContact CG1-CB 4.03Å; V256-D266 WeakPolarHBondContact CG1-OD2 3.44Å; K258-D266 WeakPolarHBondContact CG-OD1 3.4Å; K258-D266 IonicContact NZ-OD1 2.68Å; K258-D266 PolarHBondContact NZ-OD1 3.45Å; K258-D266 IonicContact NZ-OD2 3Å; K258-D266 PolarHBondContact NZ-OD2 2.94Å; D266-V268 HydrophobicContact CB-CG2 4.19Å
267F95.6Very high92.4Very high3 Ų357.7 Ų57.71%0.01327%0.272CS..EExtended strand (participates in β ladder)trans-75.9128.9168.5178.2-103.3000109.2I227 F240 I257 P265 F269 I571 F574I227-F267 HydrophobicContact CD1-CE1 4.3Å; I227-F267 HydrophobicContact CD1-CZ 3.73Å; I227-F267 HydrophobicContact CG1-CZ 4.02Å; F240-F267 HydrophobicContact CE2-CD1 4.47Å; F240-F267 AromaticContact CE2-CD2 3.94Å; F240-F267 HydrophobicContact CE2-CD2 3.94Å; F240-F267 HydrophobicContact CE2-CE1 4.21Å; F240-F267 AromaticContact CE2-CE2 3.62Å; F240-F267 HydrophobicContact CE2-CE2 3.62Å; F240-F267 HydrophobicContact CE2-CG 4.34Å; F240-F267 AromaticContact CE2-CZ 3.8Å; F240-F267 HydrophobicContact CE2-CZ 3.8Å; F240-F267 AromaticContact CZ-CD2 3.71Å; F240-F267 HydrophobicContact CZ-CD2 3.71Å; F240-F267 AromaticContact CZ-CE2 3.78Å; F240-F267 HydrophobicContact CZ-CE2 3.78Å; F240-F267 HydrophobicContact CZ-CG 4.23Å; F240-F267 HydrophobicContact CZ-CZ 4.4Å; I257-F267 HydrophobicContact CB-CB 4.21Å; I257-F267 HydrophobicContact CB-CD1 4.06Å; I257-F267 HydrophobicContact CD1-CD1 4.1Å; I257-F267 HydrophobicContact CD1-CE1 4.46Å; I257-F267 HydrophobicContact CG1-CD1 4.13Å; I257-F267 PolarHBondContact N-O 3.42Å; I257-F267 PolarHBondContact O-N 2.92Å; P265-F267 PolarHBondContact O-N 3.09Å; F267-F269 HydrophobicContact CD1-CD1 4.1Å; F267-F269 HydrophobicContact CD1-CE1 4.49Å; F267-F269 AromaticContact CE1-CD1 3.58Å; F267-F269 HydrophobicContact CE1-CD1 3.58Å; F267-F269 HydrophobicContact CE1-CE1 4.05Å; F267-F269 HydrophobicContact CZ-CD1 4.41Å; F267-I571 HydrophobicContact CB-CD1 4.01Å; F267-I571 HydrophobicContact CB-CG1 4.07Å; F267-I571 HydrophobicContact CD2-CB 4.48Å; F267-I571 HydrophobicContact CD2-CG1 3.96Å; F267-I571 HydrophobicContact CD2-CG2 4.2Å; F267-I571 HydrophobicContact CG-CG1 4.47Å; F267-F574 HydrophobicContact CD2-CD1 4.01Å; F267-F574 HydrophobicContact CD2-CE1 4.44Å; F267-F574 HydrophobicContact CD2-CG 4.32Å; F267-F574 HydrophobicContact CE2-CB 3.82Å; F267-F574 AromaticContact CE2-CD1 3.37Å; F267-F574 HydrophobicContact CE2-CD1 3.37Å; F267-F574 AromaticContact CE2-CD2 3.8Å; F267-F574 HydrophobicContact CE2-CD2 3.8Å; F267-F574 AromaticContact CE2-CE1 3.77Å; F267-F574 HydrophobicContact CE2-CE1 3.77Å; F267-F574 HydrophobicContact CE2-CE2 4.15Å; F267-F574 AromaticContact CE2-CG 3.38Å; F267-F574 HydrophobicContact CE2-CG 3.38Å; F267-F574 HydrophobicContact CE2-CZ 4.14Å; F267-F574 HydrophobicContact CZ-CD1 4.06Å; F267-F574 AromaticContact CZ-CD2 3.98Å; F267-F574 HydrophobicContact CZ-CD2 3.98Å; F267-F574 HydrophobicContact CZ-CE1 4.04Å; F267-F574 AromaticContact CZ-CE2 3.95Å; F267-F574 HydrophobicContact CZ-CE2 3.95Å; F267-F574 HydrophobicContact CZ-CG 4.02Å; F267-F574 AromaticContact CZ-CZ 3.98Å; F267-F574 HydrophobicContact CZ-CZ 3.98Å
268V96.7Very high92.2Very high7 Ų761 Ų614%0.04229%0.286CS..EExtended strand (participates in β ladder)trans-138.7125-168.5174.30000110.3K254 F255 V256 D266 Y270 F574K254-V268 HydrophobicContact CD-CG1 4.29Å; K254-V268 HydrophobicContact CG-CG1 3.91Å; F255-V268 WeakPolarHBondContact O-CA 3.46Å; V256-V268 HydrophobicContact CG1-CG2 4.32Å; V256-V268 HydrophobicContact CG2-CG2 4.29Å; D266-V268 HydrophobicContact CB-CG2 4.19Å; V268-Y270 HydrophobicContact CG1-CE2 4.08Å; V268-F574 WeakPolarHBondContact O-CE1 3.19Å
269F97.5Very high92.1Very high0 Ų062.5 Ų62.50%029%0.29CS..EExtended strand (participates in β ladder)trans-134.9168.6173.164.6-95.3000111.2I208 K209 L218 F255 I257 F267 I280 F574I208-F269 HydrophobicContact CB-CB 4.39Å; I208-F269 HydrophobicContact CB-CD2 3.83Å; I208-F269 HydrophobicContact CB-CG 4.37Å; I208-F269 HydrophobicContact CD1-CB 3.87Å; I208-F269 HydrophobicContact CD1-CD1 4.49Å; I208-F269 HydrophobicContact CD1-CD2 4.17Å; I208-F269 HydrophobicContact CD1-CG 3.94Å; I208-F269 HydrophobicContact CG2-CD2 3.44Å; I208-F269 VanDerWaalsContact CG2-CD2 3.44Å; I208-F269 HydrophobicContact CG2-CE2 3.66Å; I208-F269 HydrophobicContact CG2-CG 4.33Å; K209-F269 CarbonylContact O-C 3.6Å; K209-F269 WeakPolarHBondContact O-CA 3.34Å; K209-F269 WeakPolarHBondContact O-CB 3.18Å; L218-F269 HydrophobicContact CD2-CE1 4.06Å; L218-F269 HydrophobicContact CD2-CE2 4.05Å; L218-F269 HydrophobicContact CD2-CZ 3.53Å; F255-F269 HydrophobicContact CB-CD1 4.22Å; F255-F269 HydrophobicContact CB-CD2 3.82Å; F255-F269 HydrophobicContact CB-CE1 3.81Å; F255-F269 HydrophobicContact CB-CE2 3.35Å; F255-F269 HydrophobicContact CB-CG 4.23Å; F255-F269 HydrophobicContact CB-CZ 3.35Å; F255-F269 AromaticContact CD1-CE1 3.63Å; F255-F269 HydrophobicContact CD1-CE1 3.63Å; F255-F269 HydrophobicContact CD1-CE2 4.33Å; F255-F269 AromaticContact CD1-CZ 3.45Å; F255-F269 HydrophobicContact CD1-CZ 3.45Å; F255-F269 VanDerWaalsContact CD1-CZ 3.45Å; F255-F269 HydrophobicContact CD2-CE2 4.28Å; F255-F269 AromaticContact CD2-CZ 4Å; F255-F269 HydrophobicContact CD2-CZ 4Å; F255-F269 HydrophobicContact CE1-CE1 4.46Å; F255-F269 HydrophobicContact CE1-CZ 4.22Å; F255-F269 AromaticContact CG-CE1 3.9Å; F255-F269 HydrophobicContact CG-CE1 3.9Å; F255-F269 AromaticContact CG-CE2 3.77Å; F255-F269 HydrophobicContact CG-CE2 3.77Å; F255-F269 AromaticContact CG-CZ 3.32Å; F255-F269 HydrophobicContact CG-CZ 3.32Å; F255-F269 PolarHBondContact N-O 3.31Å; F255-F269 PolarHBondContact O-N 2.97Å; I257-F269 HydrophobicContact CD1-CE1 3.98Å; I257-F269 HydrophobicContact CG1-CE1 4.29Å; F267-F269 HydrophobicContact CD1-CD1 4.1Å; F267-F269 HydrophobicContact CD1-CE1 4.49Å; F267-F269 AromaticContact CE1-CD1 3.58Å; F267-F269 HydrophobicContact CE1-CD1 3.58Å; F267-F269 HydrophobicContact CE1-CE1 4.05Å; F267-F269 HydrophobicContact CZ-CD1 4.41Å; F269-I280 HydrophobicContact CE2-CD1 3.91Å; F269-I280 HydrophobicContact CZ-CD1 4.28Å; F269-I280 HydrophobicContact CZ-CG2 4.37Å; F269-F574 HydrophobicContact CB-CE1 4.44Å; F269-F574 HydrophobicContact CB-CZ 3.93Å
270Y97.7Very high92.1Very high85 Ų8562 Ų6233%0.33329%0.286SS..EExtended strand (participates in β ladder)trans-122.9121.3-176.4-59.8-93.3000110.2I208 K209 K211 K253 K254 V268I208-Y270 CarbonylContact C-O 3.55Å; I208-Y270 WeakPolarHBondContact CA-O 3.48Å; K209-Y270 PolarHBondContact N-O 3.06Å; K209-Y270 PolarHBondContact O-N 2.98Å; K211-Y270 HydrophobicContact CG-CE2 4.26Å; K253-Y270 WeakPolarHBondContact O-CA 3.43Å; K254-Y270 HydrophobicContact CB-CD1 4.07Å; K254-Y270 HydrophobicContact CB-CE1 3.85Å; K254-Y270 HydrophobicContact CD-CE1 4.37Å; K254-Y270 HydrophobicContact CG-CD1 4.34Å; K254-Y270 HydrophobicContact CG-CE1 3.8Å; V268-Y270 HydrophobicContact CG1-CE2 4.08Å
271A94.4Very high92.4Very high3 Ų359.5 Ų59.53%0.02527%0.274CS..  trans-95.3148.1172.100000110.6K253 R273 I276 N277K253-A271 WeakPolarHBondContact CB-O 3.44Å; K253-A271 WeakPolarHBondContact CG-O 3.44Å; K253-A271 PolarHBondContact O-N 3.24Å; A271-R273 PolarHBondContact O-N 3.44Å; A271-I276 HydrophobicContact CB-CB 4.01Å; A271-I276 HydrophobicContact CB-CG2 3.79Å; A271-N277 WeakPolarHBondContact CB-OD1 3.29Å
272P91.5Very high92.5Very high73 Ų7359 Ų5947%0.47428%0.278SS..SBendtrans-58.8-23.4-175.8-2935.3000116.3S207 K253 I276S207-P272 WeakPolarHBondContact O-CD 3.35Å; K253-P272 WeakPolarHBondContact CE-O 3.31Å; P272-I276 HydrophobicContact CB-CD1 4.19Å; P272-I276 HydrophobicContact CG-CD1 4.31Å
273R88Confident92.8Very high154 Ų15450.6 Ų50.658%0.58124%0.241SC*.SBendtrans-148.3139.7-173.5-58.4179.4-179177.3-0.8111.3A271 R275 I276A271-R273 PolarHBondContact O-N 3.44Å; R273-R275 PolarHBondContact O-N 3.15Å; R273-I276 HydrophobicContact CB-CD1 4.14Å; R273-I276 HydrophobicContact CB-CG1 4.27Å; R273-I276 HydrophobicContact CG-CD1 4.47Å; R273-I276 WeakPolarHBondContact O-CB 3.33Å; R273-I276 PolarHBondContact O-N 2.86Å
274L88.4Confident93.1Very high63 Ų6342 Ų4233%0.3320%0.204SC..Hα-helixtrans-45.3-37.6171.2171.358.7000114.3F250 I276 N277 K278F250-L274 HydrophobicContact CD2-CD1 3.88Å; F250-L274 HydrophobicContact CE2-CD1 3.47Å; F250-L274 VanDerWaalsContact CE2-CD1 3.47Å; F250-L274 HydrophobicContact CZ-CD1 4.31Å; L274-I276 VanDerWaalsContact C-N 3.27Å; L274-I276 PolarHBondContact O-N 2.88Å; L274-N277 PolarHBondContact O-N 2.84Å; L274-K278 HydrophobicContact CD1-CD 4.12Å; L274-K278 HydrophobicContact CD1-CG 4.25Å; L274-K278 HydrophobicContact CG-CD 4.26Å; L274-K278 PolarHBondContact O-N 2.82Å
275R86.2Confident93.1Very high85 Ų8544.1 Ų44.132%0.32121%0.213SC..Hα-helixtrans-62.2-33.1177.1-170.9-175.2-174159.68.5113D51 T57 R273 K278 R279D51-R275 IonicContact OD2-CZ 3.84Å; D51-R275 IonicContact OD2-NH1 2.84Å; D51-R275 PolarHBondContact OD2-NH1 3.13Å; D51-R275 IonicContact OD2-NH2 2.73Å; D51-R275 PolarHBondContact OD2-NH2 2.64Å; T57-R275 PolarHBondContact OG1-NH2 2.77Å; R273-R275 PolarHBondContact O-N 3.15Å; R275-K278 PolarHBondContact O-N 2.68Å; R275-R279 PolarHBondContact O-N 3.14Å
276I89.6Confident93.1Very high40 Ų4042 Ų4221%0.20520%0.2CC..Hα-helixtrans-68.1-46.5177.7-61.6169.4000108.8F206 A271 P272 R273 L274 K278 R279 I280F206-I276 HydrophobicContact CB-CG2 4.47Å; F206-I276 HydrophobicContact CD1-CG2 3.69Å; F206-I276 HydrophobicContact CE1-CG2 4.38Å; F206-I276 HydrophobicContact CG-CG2 4.39Å; A271-I276 HydrophobicContact CB-CB 4.01Å; A271-I276 HydrophobicContact CB-CG2 3.79Å; P272-I276 HydrophobicContact CB-CD1 4.19Å; P272-I276 HydrophobicContact CG-CD1 4.31Å; R273-I276 HydrophobicContact CB-CD1 4.14Å; R273-I276 HydrophobicContact CB-CG1 4.27Å; R273-I276 HydrophobicContact CG-CD1 4.47Å; R273-I276 WeakPolarHBondContact O-CB 3.33Å; R273-I276 PolarHBondContact O-N 2.86Å; L274-I276 VanDerWaalsContact C-N 3.27Å; L274-I276 PolarHBondContact O-N 2.88Å; I276-K278 VanDerWaalsContact C-N 3.33Å; I276-K278 PolarHBondContact O-N 3.11Å; I276-R279 CarbonylContact O-C 3.52Å; I276-R279 WeakPolarHBondContact O-CA 3.44Å; I276-R279 WeakPolarHBondContact O-CB 3.26Å; I276-R279 PolarHBondContact O-N 3.39Å; I276-I280 HydrophobicContact CG2-CD1 3.82Å; I276-I280 HydrophobicContact CG2-CG1 4.28Å; I276-I280 WeakPolarHBondContact O-CG1 3.46Å; I276-I280 PolarHBondContact O-N 2.92Å
277N93.5Very high93.1Very high0 Ų039.1 Ų39.10%019%0.185CC..Hα-helixtrans-60.1-39.9173-71.6-17.7000112.8F250 D252 K253 F255 A271 L274 R279 I280 L281F250-N277 HydrophobicContact CB-CB 3.85Å; F250-N277 HydrophobicContact CD1-CB 3.74Å; F250-N277 HydrophobicContact CD2-CB 4.09Å; F250-N277 HydrophobicContact CE1-CB 4.38Å; F250-N277 HydrophobicContact CG-CB 3.61Å; D252-N277 PolarHBondContact O-ND2 3.41Å; K253-N277 WeakPolarHBondContact CA-ND2 3.48Å; K253-N277 PolarHBondContact O-ND2 2.83Å; F255-N277 HydrophobicContact CD2-CB 3.98Å; F255-N277 HydrophobicContact CE2-CB 4.49Å; A271-N277 WeakPolarHBondContact CB-OD1 3.29Å; L274-N277 PolarHBondContact O-N 2.84Å; N277-R279 PolarHBondContact O-N 3.12Å; N277-I280 PolarHBondContact O-N 2.69Å; N277-L281 WeakPolarHBondContact O-CB 3.28Å; N277-L281 PolarHBondContact O-N 2.95Å
278K90.9Very high93Very high75 Ų7539.6 Ų39.633%0.32619%0.187SC..Hα-helixtrans-65.3-19.7172-76.8-178.8172.8178.40113.8F250 L274 R275 I276 E489F250-K278 HydrophobicContact CE1-CG 3.82Å; F250-K278 HydrophobicContact CE2-CG 4.02Å; F250-K278 HydrophobicContact CZ-CB 4.44Å; F250-K278 HydrophobicContact CZ-CD 4.09Å; F250-K278 HydrophobicContact CZ-CG 3.29Å; L274-K278 HydrophobicContact CD1-CD 4.12Å; L274-K278 HydrophobicContact CD1-CG 4.25Å; L274-K278 HydrophobicContact CG-CD 4.26Å; L274-K278 PolarHBondContact O-N 2.82Å; R275-K278 PolarHBondContact O-N 2.68Å; I276-K278 VanDerWaalsContact C-N 3.33Å; I276-K278 PolarHBondContact O-N 3.11Å; K278-E489 IonicContact NZ-OE1 3.72Å; K278-E489 PolarHBondContact NZ-OE1 2.84Å
279R91.3Very high92.8Very high106 Ų10645.7 Ų45.740%0.422%0.215SC..Hα-helixtrans-86-49.2170.2-79.5-18059176.9-6.5112.2F206 R275 I276 N277 L281 A282 L283F206-R279 HydrophobicContact CE1-CB 4.14Å; F206-R279 HydrophobicContact CZ-CB 4.28Å; R275-R279 PolarHBondContact O-N 3.14Å; I276-R279 CarbonylContact O-C 3.52Å; I276-R279 WeakPolarHBondContact O-CA 3.44Å; I276-R279 WeakPolarHBondContact O-CB 3.26Å; I276-R279 PolarHBondContact O-N 3.39Å; N277-R279 PolarHBondContact O-N 3.12Å; R279-L281 VanDerWaalsContact C-N 3.34Å; R279-L281 PolarHBondContact O-N 2.74Å; R279-A282 PolarHBondContact O-N 2.78Å; R279-L283 PolarHBondContact O-N 2.64Å
280I95.2Very high92.6Very high0 Ų046.2 Ų46.20%022%0.218CC..Hα-helixtrans-53.2-54.2177.7-67.3167.1000109.1F206 L218 V220 F255 F269 I276 N277 A282 L283 C284F206-I280 HydrophobicContact CB-CD1 4.03Å; F206-I280 HydrophobicContact CB-CG1 4.23Å; F206-I280 HydrophobicContact CD1-CD1 4.38Å; F206-I280 HydrophobicContact CD1-CG1 3.93Å; F206-I280 HydrophobicContact CD2-CD1 4.31Å; F206-I280 HydrophobicContact CD2-CG1 3.6Å; F206-I280 HydrophobicContact CE1-CG1 4.18Å; F206-I280 HydrophobicContact CE2-CG1 3.86Å; F206-I280 HydrophobicContact CG-CD1 3.97Å; F206-I280 HydrophobicContact CG-CG1 3.63Å; F206-I280 HydrophobicContact CZ-CG1 4.15Å; L218-I280 HydrophobicContact CD2-CD1 4.08Å; L218-I280 HydrophobicContact CD2-CG1 4.4Å; L218-I280 HydrophobicContact CD2-CG2 3.89Å; V220-I280 HydrophobicContact CG2-CG2 4.48Å; F255-I280 HydrophobicContact CD2-CB 4.47Å; F255-I280 HydrophobicContact CD2-CG2 4.23Å; F255-I280 HydrophobicContact CE1-CG2 4.38Å; F255-I280 HydrophobicContact CE2-CB 3.92Å; F255-I280 HydrophobicContact CE2-CG2 3.63Å; F255-I280 HydrophobicContact CZ-CB 4.46Å; F255-I280 HydrophobicContact CZ-CG2 3.72Å; F269-I280 HydrophobicContact CE2-CD1 3.91Å; F269-I280 HydrophobicContact CZ-CD1 4.28Å; F269-I280 HydrophobicContact CZ-CG2 4.37Å; I276-I280 HydrophobicContact CG2-CD1 3.82Å; I276-I280 HydrophobicContact CG2-CG1 4.28Å; I276-I280 WeakPolarHBondContact O-CG1 3.46Å; I276-I280 PolarHBondContact O-N 2.92Å; N277-I280 PolarHBondContact O-N 2.69Å; I280-A282 VanDerWaalsContact C-N 3.33Å; I280-A282 PolarHBondContact O-N 2.67Å; I280-L283 PolarHBondContact O-N 2.86Å; I280-L283 VanDerWaalsContact O-N 3.07Å; I280-C284 PolarHBondContact O-N 2.94Å; I280-C284 PolarHBondContact O-SG 3.48Å
281L94.4Very high92.4Very high6 Ų642.3 Ų42.33%0.03120%0.202CC..Hα-helixtrans-55.4-45.8-179.5179.559.1000112.7I248 F250 F255 N277 R279 L283 C284 M285 A490 A492I248-L281 HydrophobicContact CB-CD1 4.27Å; I248-L281 HydrophobicContact CD1-CD1 3.46Å; I248-L281 VanDerWaalsContact CD1-CD1 3.46Å; I248-L281 HydrophobicContact CG1-CD1 3.54Å; F250-L281 HydrophobicContact CD1-CB 4.13Å; F250-L281 HydrophobicContact CD1-CD2 3.89Å; F250-L281 HydrophobicContact CE1-CB 4Å; F250-L281 HydrophobicContact CE1-CD2 3.45Å; F250-L281 VanDerWaalsContact CE1-CD2 3.45Å; F250-L281 HydrophobicContact CE1-CG 4.37Å; F250-L281 HydrophobicContact CZ-CD2 4.42Å; F255-L281 HydrophobicContact CE2-CB 4.07Å; F255-L281 HydrophobicContact CZ-CB 4.21Å; F255-L281 HydrophobicContact CZ-CD1 4.46Å; N277-L281 WeakPolarHBondContact O-CB 3.28Å; N277-L281 PolarHBondContact O-N 2.95Å; R279-L281 VanDerWaalsContact C-N 3.34Å; R279-L281 PolarHBondContact O-N 2.74Å; L281-L283 VanDerWaalsContact C-N 3.29Å; L281-L283 PolarHBondContact O-N 2.7Å; L281-C284 PolarHBondContact O-N 2.9Å; L281-M285 HydrophobicContact CD1-CG 4.08Å; L281-M285 HydrophobicContact CD1-SD 4.08Å; L281-M285 HydrophobicContact CG-CG 4.42Å; L281-M285 HydrophobicContact CG-SD 3.94Å; L281-M285 WeakPolarHBondContact O-CB 3.36Å; L281-M285 VanDerWaalsContact O-CG 3.23Å; L281-M285 WeakPolarHBondContact O-CG 3.23Å; L281-M285 PolarHBondContact O-N 3.27Å; L281-A490 HydrophobicContact CD2-CB 3.78Å; L281-A490 WeakPolarHBondContact CD2-O 3.3Å; L281-A492 HydrophobicContact CD1-CB 4.46Å
282A92.2Very high92.2Very high47 Ų4743.2 Ų43.239%0.38821%0.206SC..Hα-helixtrans-68.2-26.9-179.100000113.4R279 I280R279-A282 PolarHBondContact O-N 2.78Å; I280-A282 VanDerWaalsContact C-N 3.33Å; I280-A282 PolarHBondContact O-N 2.67Å
283L94Very high92.1Very high5 Ų543.9 Ų43.93%0.02620%0.2CC..Hα-helixtrans-78.5-44.3172.3-73.7165.7000111.6F84 N204 F206 V220 R279 I280 L281 M285 G286 N287F84-L283 HydrophobicContact CE1-CD2 4.25Å; N204-L283 HydrophobicContact CB-CD1 3.8Å; N204-L283 WeakPolarHBondContact OD1-CD1 3.35Å; F206-L283 HydrophobicContact CE2-CD1 3.7Å; F206-L283 HydrophobicContact CZ-CD1 3.53Å; V220-L283 HydrophobicContact CG1-CB 4.04Å; R279-L283 PolarHBondContact O-N 2.64Å; I280-L283 PolarHBondContact O-N 2.86Å; I280-L283 VanDerWaalsContact O-N 3.07Å; L281-L283 VanDerWaalsContact C-N 3.29Å; L281-L283 PolarHBondContact O-N 2.7Å; L283-M285 VanDerWaalsContact C-N 3.31Å; L283-M285 PolarHBondContact O-N 2.93Å; L283-G286 PolarHBondContact O-N 3.45Å; L283-N287 WeakPolarHBondContact O-CB 3.34Å; L283-N287 PolarHBondContact O-N 3.39Å; L283-N287 PolarHBondContact O-ND2 3.21Å
284C96.5Very high92.2Very high0 Ų039.2 Ų39.20%018%0.182CC..Hα-helixtrans-62.6-39.4178-58.80000111.9W242 I248 I280 L281 H288W242-C284 HydrophobicContact CH2-CB 3.61Å; W242-C284 HydrophobicContact CZ3-CB 3.99Å; I248-C284 HydrophobicContact CD1-CB 3.27Å; I280-C284 PolarHBondContact O-N 2.94Å; I280-C284 PolarHBondContact O-SG 3.48Å; L281-C284 PolarHBondContact O-N 2.9Å; C284-H288 WeakPolarHBondContact O-CB 3.29Å; C284-H288 PolarHBondContact O-N 3.21Å
285M93.2Very high92.2Very high58 Ų5837.2 Ų37.229%0.28617%0.17SC..Hα-helixtrans-57.5-55.2175.4-77.1174.369.700111.7L281 L283 H288 E289 A490 A492L281-M285 HydrophobicContact CD1-CG 4.08Å; L281-M285 HydrophobicContact CD1-SD 4.08Å; L281-M285 HydrophobicContact CG-CG 4.42Å; L281-M285 HydrophobicContact CG-SD 3.94Å; L281-M285 WeakPolarHBondContact O-CB 3.36Å; L281-M285 VanDerWaalsContact O-CG 3.23Å; L281-M285 WeakPolarHBondContact O-CG 3.23Å; L281-M285 PolarHBondContact O-N 3.27Å; L283-M285 VanDerWaalsContact C-N 3.31Å; L283-M285 PolarHBondContact O-N 2.93Å; M285-H288 PolarHBondContact O-N 3.03Å; M285-E289 WeakPolarHBondContact O-CB 3.29Å; M285-E289 PolarHBondContact O-N 2.68Å; M285-A490 HydrophobicContact SD-CB 4.36Å; M285-A492 HydrophobicContact CE-CB 4.38Å; M285-A492 HydrophobicContact CG-CB 3.59Å; M285-A492 HydrophobicContact SD-CB 4.07Å
286G93.2Very high92.3Very high7 Ų738.6 Ų38.67%0.07218%0.178CC..Hα-helixtrans-73.4-33.1-17600000114.5L283 E289 L290L283-G286 PolarHBondContact O-N 3.45Å; G286-E289 PolarHBondContact O-N 2.76Å; G286-L290 WeakPolarHBondContact O-CG 3.45Å; G286-L290 PolarHBondContact O-N 3.31Å
287N95.3Very high92.3Very high4 Ų442 Ų422%0.02120%0.203CC..Hα-helixtrans-65.2-42171.3-75.1-72.5000111D221 W242 L283 L290 Y291D221-N287 WeakPolarHBondContact O-CB 3.3Å; W242-N287 HydrophobicContact CZ2-CB 3.7Å; L283-N287 WeakPolarHBondContact O-CB 3.34Å; L283-N287 PolarHBondContact O-N 3.39Å; L283-N287 PolarHBondContact O-ND2 3.21Å; N287-L290 PolarHBondContact O-N 3.03Å; N287-Y291 WeakPolarHBondContact O-CB 3.49Å; N287-Y291 PolarHBondContact O-N 3.49Å
288H93.6Very high92.1Very high14 Ų1445.2 Ų45.27%0.06522%0.22CC..Hα-helixtrans-67-36.7174.2-177.8-83.6000112.7W242 C284 M285 Y291 M292 L494W242-H288 HydrophobicContact CD2-CB 4.14Å; W242-H288 HydrophobicContact CE3-CB 3.94Å; W242-H288 HydrophobicContact CZ3-CB 4.41Å; C284-H288 WeakPolarHBondContact O-CB 3.29Å; C284-H288 PolarHBondContact O-N 3.21Å; M285-H288 PolarHBondContact O-N 3.03Å; H288-Y291 WeakPolarHBondContact O-CB 3.22Å; H288-Y291 PolarHBondContact O-N 2.87Å; H288-M292 WeakPolarHBondContact CE1-CG 3.43Å; H288-M292 WeakPolarHBondContact O-CB 3.31Å; H288-M292 VanDerWaalsContact O-CG 3.31Å; H288-M292 WeakPolarHBondContact O-CG 3.41Å; H288-M292 PolarHBondContact O-N 3.22Å; H288-L494 HydrophobicContact CB-CD1 4.02Å; H288-L494 HydrophobicContact CB-CD2 4.16Å; H288-L494 PolarHBondContact NE2-O 3.37Å
289E92.8Very high92.1Very high134 Ų13444.6 Ų44.663%0.62622%0.223SC*.Hα-helixtrans-61.7-44175.8-175.9170.3-168.300111.5M285 G286 M292 R293M285-E289 WeakPolarHBondContact O-CB 3.29Å; M285-E289 PolarHBondContact O-N 2.68Å; G286-E289 PolarHBondContact O-N 2.76Å; E289-M292 PolarHBondContact O-N 3.47Å; E289-R293 PolarHBondContact O-N 2.68Å
290L93.4Very high92.2Very high12 Ų1245.4 Ų45.46%0.06323%0.234CC..Hα-helixtrans-68.1-41.5173.5-67.5171.1000112.3W43 F44 F84 G286 N287 M292 R293 R294W43-L290 HydrophobicContact CB-CD2 4.45Å; W43-L290 HydrophobicContact CG-CD2 4.3Å; F44-L290 HydrophobicContact CD1-CD1 4.36Å; F44-L290 HydrophobicContact CE1-CD1 4.43Å; F84-L290 HydrophobicContact CB-CD1 3.45Å; F84-L290 VanDerWaalsContact CB-CD1 3.45Å; F84-L290 HydrophobicContact CD2-CD1 4.19Å; F84-L290 HydrophobicContact CG-CD1 3.94Å; G286-L290 WeakPolarHBondContact O-CG 3.45Å; G286-L290 PolarHBondContact O-N 3.31Å; N287-L290 PolarHBondContact O-N 3.03Å; L290-M292 PolarHBondContact O-N 3.41Å; L290-R293 WeakPolarHBondContact O-CB 3.3Å; L290-R293 PolarHBondContact O-N 3.41Å; L290-R294 WeakPolarHBondContact O-CG 3.32Å; L290-R294 PolarHBondContact O-N 2.89Å
291Y93.1Very high92Very high2 Ų248.2 Ų48.21%0.00825%0.247CC..Hα-helixtrans-54.4-40.7171.9-174-98.1000112E87 W242 S243 N287 H288 R295 E505E87-Y291 WeakPolarHBondContact OE2-CD2 3.31Å; W242-Y291 HydrophobicContact CB-CD1 3.41Å; W242-Y291 VanDerWaalsContact CB-CD1 3.41Å; W242-Y291 HydrophobicContact CB-CD2 3.91Å; W242-Y291 HydrophobicContact CB-CE1 3.59Å; W242-Y291 HydrophobicContact CB-CE2 4.05Å; W242-Y291 HydrophobicContact CB-CG 3.58Å; W242-Y291 AromaticContact CD1-CD2 3.73Å; W242-Y291 AromaticContact CD1-CG 3.83Å; W242-Y291 HydrophobicContact CG-CD1 4.31Å; W242-Y291 HydrophobicContact CG-CD2 4.21Å; W242-Y291 HydrophobicContact CG-CG 4.01Å; S243-Y291 VanDerWaalsContact CB-OH 3.31Å; S243-Y291 WeakPolarHBondContact CB-OH 3.33Å; S243-Y291 PolarHBondContact OG-OH 2.98Å; N287-Y291 WeakPolarHBondContact O-CB 3.49Å; N287-Y291 PolarHBondContact O-N 3.49Å; H288-Y291 WeakPolarHBondContact O-CB 3.22Å; H288-Y291 PolarHBondContact O-N 2.87Å; Y291-R295 WeakPolarHBondContact O-CD 3.35Å; Y291-R295 WeakPolarHBondContact O-CG 3.4Å; Y291-R295 PolarHBondContact OH-NH2 3.42Å; Y291-E505 WeakPolarHBondContact CE2-OE1 3.32Å; Y291-E505 PolarHBondContact OH-OE1 3.2Å
292M90.2Very high91.9Very high22 Ų2248.1 Ų48.111%0.10825%0.247CC..Hα-helixtrans-76.8-23.8175.1-72.6-62.3-59.300114.1H288 E289 L290 A496 A500H288-M292 WeakPolarHBondContact CE1-CG 3.43Å; H288-M292 WeakPolarHBondContact O-CB 3.31Å; H288-M292 VanDerWaalsContact O-CG 3.31Å; H288-M292 WeakPolarHBondContact O-CG 3.41Å; H288-M292 PolarHBondContact O-N 3.22Å; E289-M292 PolarHBondContact O-N 3.47Å; L290-M292 PolarHBondContact O-N 3.41Å; M292-A496 HydrophobicContact SD-CB 4.48Å; M292-A500 HydrophobicContact CE-CB 3.71Å; M292-A500 HydrophobicContact SD-CB 3.51Å; M292-A500 VanDerWaalsContact SD-CB 3.51Å
293R90.1Very high92.1Very high88 Ų8850.5 Ų50.533%0.33225%0.25SC..Hα-helixtrans-72.2-46.6172.9-177.3172.5173.5153.3-6.7110.7E289 L290 R295 K296E289-R293 PolarHBondContact O-N 2.68Å; L290-R293 WeakPolarHBondContact O-CB 3.3Å; L290-R293 PolarHBondContact O-N 3.41Å; R293-R295 PolarHBondContact O-N 3.36Å; R293-R295 VanDerWaalsContact O-N 3.13Å; R293-K296 PolarHBondContact O-N 2.81Å
294R89.9Confident92.1Very high56 Ų5654.4 Ų54.421%0.21127%0.268CS..Hα-helixtrans-55.8-28.2176.9-67.6162.4-171.5144.62.5113.9Y85 E87 E92 L290 K296Y85-R294 PolarHBondContact O-NH2 3.36Å; Y85-R294 VanDerWaalsContact O-NH2 3.1Å; E87-R294 VanDerWaalsContact CB-CZ 3.48Å; E87-R294 WeakPolarHBondContact OE2-CD 3.12Å; E87-R294 IonicContact OE2-CZ 3.14Å; E87-R294 IonicContact OE2-NE 3.82Å; E87-R294 IonicContact OE2-NH1 2.6Å; E87-R294 PolarHBondContact OE2-NH1 2.94Å; E92-R294 IonicContact OE1-CZ 2.7Å; E92-R294 IonicContact OE1-NE 3.11Å; E92-R294 PolarHBondContact OE1-NE 3.47Å; E92-R294 IonicContact OE1-NH2 2.93Å; E92-R294 PolarHBondContact OE1-NH2 3.16Å; E92-R294 IonicContact OE2-CZ 2.72Å; E92-R294 VanDerWaalsContact OE2-CZ 3.25Å; E92-R294 IonicContact OE2-NE 2.64Å; E92-R294 PolarHBondContact OE2-NE 3.13Å; E92-R294 IonicContact OE2-NH2 2.69Å; E92-R294 PolarHBondContact OE2-NH2 3.41Å; L290-R294 WeakPolarHBondContact O-CG 3.32Å; L290-R294 PolarHBondContact O-N 2.89Å; R294-K296 VanDerWaalsContact C-N 3.34Å
295R88.6Confident92.1Very high20 Ų2054.4 Ų54.48%0.07527%0.268CS..THydrogen-bonded Turntrans-93.611.6-177.9-69.6167.6163.162.914113.8E87 Y291 R293 A500 D502 E505E87-R295 IonicContact OE1-CZ 2.8Å; E87-R295 IonicContact OE1-NH1 2.68Å; E87-R295 PolarHBondContact OE1-NH1 2.59Å; E87-R295 IonicContact OE1-NH2 2.9Å; E87-R295 IonicContact OE2-NH1 3.52Å; Y291-R295 WeakPolarHBondContact O-CD 3.35Å; Y291-R295 WeakPolarHBondContact O-CG 3.4Å; Y291-R295 PolarHBondContact OH-NH2 3.42Å; R293-R295 PolarHBondContact O-N 3.36Å; R293-R295 VanDerWaalsContact O-N 3.13Å; R295-A500 HydrophobicContact CB-CB 4.28Å; R295-D502 HydrophobicContact CG-CB 4.45Å; R295-D502 PolarHBondContact NE-O 3.24Å; R295-D502 PolarHBondContact NH2-O 3.42Å; R295-E505 IonicContact CZ-OE2 3.67Å; R295-E505 IonicContact NH2-OE1 3.5Å; R295-E505 PolarHBondContact NH2-OE1 3.41Å; R295-E505 IonicContact NH2-OE2 2.65Å; R295-E505 PolarHBondContact NH2-OE2 2.83Å
296K88Confident92.2Very high115 Ų11553.7 Ų53.750%0.526%0.263SS..SBendtrans-117.8154.7169.6-66.2173.3-176.9-178.70108.1R293 R294R293-K296 PolarHBondContact O-N 2.81Å; R294-K296 VanDerWaalsContact C-N 3.34Å
297P88.4Confident92.3Very high112 Ų11255.1 Ų55.173%0.72728%0.275SS*.PPolyproline II helixtrans-55.8142.6169.7-23.234.1000111.2
298D90.2Very high92.3Very high66 Ų6655.8 Ų55.835%0.35328%0.277SS..PPolyproline II helixtrans-52.1142.6174.8-80.1-29.9000111.1V302 Q303 K306D298-V302 HydrophobicContact CB-CB 4.07Å; D298-V302 HydrophobicContact CB-CG1 3.78Å; D298-V302 VanDerWaalsContact CG-CG1 3.43Å; D298-V302 WeakPolarHBondContact OD1-CG1 3.36Å; D298-Q303 HydrophobicContact CB-CG 3.8Å; D298-Q303 PolarHBondContact O-NE2 2.78Å; D298-K306 IonicContact OD1-NZ 2.73Å; D298-K306 WeakPolarHBondContact OD2-CD 3.46Å; D298-K306 WeakPolarHBondContact OD2-CE 3.45Å; D298-K306 IonicContact OD2-NZ 2.61Å; D298-K306 PolarHBondContact OD2-NZ 3.36Å
299T91.3Very high92.4Very high63 Ų6356.5 Ų56.539%0.38729%0.286SS..PPolyproline II helixtrans-64.2157.817359.70000110.3E301 V302 Q303T299-E301 PolarHBondContact O-N 3.46Å; T299-V302 PolarHBondContact O-N 3.27Å; T299-V302 WeakPolarHBondContact OG1-CG2 3.37Å; T299-V302 PolarHBondContact OG1-N 2.94Å; T299-Q303 WeakPolarHBondContact O-CG 3.48Å; T299-Q303 PolarHBondContact O-N 3.12Å
300I92.4Very high92.4Very high123 Ų12357.8 Ų57.863%0.63129%0.285SS*.Hα-helixtrans-55.2-39.7178.2-173.559.3000111.8Q303 Q304I300-Q303 WeakPolarHBondContact O-CB 3.39Å; I300-Q303 PolarHBondContact O-N 3.45Å; I300-Q304 VanDerWaalsContact O-CG 3.29Å; I300-Q304 WeakPolarHBondContact O-CG 3.07Å; I300-Q304 PolarHBondContact O-N 3.07Å; I300-Q304 PolarHBondContact O-OE1 2.89Å
301E91.2Very high92.5Very high58 Ų5861.6 Ų61.627%0.27130%0.302SS..Hα-helixtrans-55.9-53.9170.5174.8-179.4-110.400112.3T299 Q303 Q304 M305T299-E301 PolarHBondContact O-N 3.46Å; E301-Q303 VanDerWaalsContact C-N 3.28Å; E301-Q303 PolarHBondContact O-N 3.43Å; E301-Q304 CarbonylContact O-C 3.6Å; E301-Q304 WeakPolarHBondContact O-CB 3.23Å; E301-Q304 PolarHBondContact O-N 2.96Å; E301-Q304 VanDerWaalsContact O-N 3.09Å; E301-M305 VanDerWaalsContact O-CG 3.31Å; E301-M305 WeakPolarHBondContact O-CG 3.38Å; E301-M305 PolarHBondContact O-N 3.18Å
302V93.2Very high92.6Very high5 Ų564.8 Ų64.83%0.0332%0.317CS..Hα-helixtrans-63.4-33.2176172.50000112.2W43 I94 D298 T299 M305 K306W43-V302 HydrophobicContact CH2-CG2 4.09Å; I94-V302 HydrophobicContact CD1-CG1 3.88Å; D298-V302 HydrophobicContact CB-CB 4.07Å; D298-V302 HydrophobicContact CB-CG1 3.78Å; D298-V302 VanDerWaalsContact CG-CG1 3.43Å; D298-V302 WeakPolarHBondContact OD1-CG1 3.36Å; T299-V302 PolarHBondContact O-N 3.27Å; T299-V302 WeakPolarHBondContact OG1-CG2 3.37Å; T299-V302 PolarHBondContact OG1-N 2.94Å; V302-M305 HydrophobicContact CG2-SD 4.32Å; V302-M305 PolarHBondContact O-N 3.31Å; V302-K306 HydrophobicContact CG1-CD 4.25Å; V302-K306 HydrophobicContact CG1-CG 4.49Å; V302-K306 WeakPolarHBondContact O-CB 3.4Å; V302-K306 WeakPolarHBondContact O-CG 3.27Å; V302-K306 PolarHBondContact O-N 2.81Å
303Q94.9Very high92.6Very high96 Ų9667.5 Ų67.545%0.44933%0.329SS..Hα-helixtrans-67-37.5173.8-66.7176.636.800111.7D298 T299 I300 E301 A307D298-Q303 HydrophobicContact CB-CG 3.8Å; D298-Q303 PolarHBondContact O-NE2 2.78Å; T299-Q303 WeakPolarHBondContact O-CG 3.48Å; T299-Q303 PolarHBondContact O-N 3.12Å; I300-Q303 WeakPolarHBondContact O-CB 3.39Å; I300-Q303 PolarHBondContact O-N 3.45Å; E301-Q303 VanDerWaalsContact C-N 3.28Å; E301-Q303 PolarHBondContact O-N 3.43Å; Q303-A307 WeakPolarHBondContact O-CB 3.35Å; Q303-A307 PolarHBondContact O-N 2.74Å
304Q95.6Very high92.7Very high87 Ų8768.4 Ų68.441%0.40734%0.336SS..Hα-helixtrans-67.4-45.9172.7-70.6169-74.500111.1I300 E301 K306 A307 Q308I300-Q304 VanDerWaalsContact O-CG 3.29Å; I300-Q304 WeakPolarHBondContact O-CG 3.07Å; I300-Q304 PolarHBondContact O-N 3.07Å; I300-Q304 PolarHBondContact O-OE1 2.89Å; E301-Q304 CarbonylContact O-C 3.6Å; E301-Q304 WeakPolarHBondContact O-CB 3.23Å; E301-Q304 PolarHBondContact O-N 2.96Å; E301-Q304 VanDerWaalsContact O-N 3.09Å; Q304-K306 VanDerWaalsContact C-N 3.32Å; Q304-K306 PolarHBondContact O-N 3.49Å; Q304-A307 WeakPolarHBondContact O-CA 3.46Å; Q304-A307 WeakPolarHBondContact O-CB 3.28Å; Q304-A307 PolarHBondContact O-N 2.96Å; Q304-Q308 PolarHBondContact O-N 2.78Å
305M95.1Very high92.9Very high1 Ų168.2 Ų68.21%0.00534%0.338CS..Hα-helixtrans-53.5-48172.4-65.9174.783.900111.8R40 E41 W43 I94 Q95 E301 V302 A307 Q308 A309 Q480R40-M305 HydrophobicContact CB-CE 3.57Å; E41-M305 HydrophobicContact CG-CE 3.4Å; E41-M305 VanDerWaalsContact CG-CE 3.4Å; W43-M305 HydrophobicContact CH2-CE 4.44Å; W43-M305 HydrophobicContact CH2-SD 4.2Å; I94-M305 HydrophobicContact CD1-CB 4.05Å; I94-M305 HydrophobicContact CD1-CE 4.42Å; I94-M305 HydrophobicContact CD1-SD 4.35Å; I94-M305 HydrophobicContact CG2-CB 3.83Å; I94-M305 WeakPolarHBondContact CG2-O 3.25Å; Q95-M305 HydrophobicContact CG-CE 4.3Å; E301-M305 VanDerWaalsContact O-CG 3.31Å; E301-M305 WeakPolarHBondContact O-CG 3.38Å; E301-M305 PolarHBondContact O-N 3.18Å; V302-M305 HydrophobicContact CG2-SD 4.32Å; V302-M305 PolarHBondContact O-N 3.31Å; M305-A307 VanDerWaalsContact C-N 3.29Å; M305-A307 PolarHBondContact O-N 3.46Å; M305-Q308 PolarHBondContact O-N 3.39Å; M305-A309 WeakPolarHBondContact O-CB 3.41Å; M305-A309 PolarHBondContact O-N 2.89Å; M305-Q480 WeakPolarHBondContact CG-O 3.24Å
306K95.3Very high93.1Very high42 Ų4270 Ų7018%0.18335%0.346CS..Hα-helixtrans-69.7-24.7178.1-72.9-178.8176.9-179.40112.4E91 I94 D298 V302 Q304 R310E91-K306 WeakPolarHBondContact O-CE 3.34Å; E91-K306 PolarHBondContact O-NZ 3.32Å; I94-K306 HydrophobicContact CD1-CG 3.86Å; I94-K306 HydrophobicContact CG1-CG 3.95Å; I94-K306 HydrophobicContact CG2-CG 4.12Å; D298-K306 IonicContact OD1-NZ 2.73Å; D298-K306 WeakPolarHBondContact OD2-CD 3.46Å; D298-K306 WeakPolarHBondContact OD2-CE 3.45Å; D298-K306 IonicContact OD2-NZ 2.61Å; D298-K306 PolarHBondContact OD2-NZ 3.36Å; V302-K306 HydrophobicContact CG1-CD 4.25Å; V302-K306 HydrophobicContact CG1-CG 4.49Å; V302-K306 WeakPolarHBondContact O-CB 3.4Å; V302-K306 WeakPolarHBondContact O-CG 3.27Å; V302-K306 PolarHBondContact O-N 2.81Å; Q304-K306 VanDerWaalsContact C-N 3.32Å; Q304-K306 PolarHBondContact O-N 3.49Å; K306-R310 VanDerWaalsContact O-CG 3.31Å; K306-R310 WeakPolarHBondContact O-CG 3.47Å; K306-R310 PolarHBondContact O-N 3.48Å; K306-R310 PolarHBondContact O-NE 3.39Å; K306-R310 PolarHBondContact O-NH1 3.3Å; K306-R310 PolarHBondContact O-NH2 3.13Å
307A96.1Very high93.2Very high38 Ų3868.7 Ų68.731%0.31434%0.342SS..Hα-helixtrans-71.2-5517100000110.8Q303 Q304 M305 A309 R310 E311Q303-A307 WeakPolarHBondContact O-CB 3.35Å; Q303-A307 PolarHBondContact O-N 2.74Å; Q304-A307 WeakPolarHBondContact O-CA 3.46Å; Q304-A307 WeakPolarHBondContact O-CB 3.28Å; Q304-A307 PolarHBondContact O-N 2.96Å; M305-A307 VanDerWaalsContact C-N 3.29Å; M305-A307 PolarHBondContact O-N 3.46Å; A307-A309 VanDerWaalsContact C-N 3.35Å; A307-A309 PolarHBondContact O-N 2.84Å; A307-R310 WeakPolarHBondContact O-CB 3.45Å; A307-R310 PolarHBondContact O-N 2.84Å; A307-R310 VanDerWaalsContact O-N 3.08Å; A307-E311 PolarHBondContact O-N 3.2Å
308Q95.6Very high93.3Very high17 Ų1766.5 Ų66.58%0.07932%0.323CS..Hα-helixtrans-50-52.4174.4-177.2-174.710.500111.9Q304 M305 R310 E311 E312 N478 E479Q304-Q308 PolarHBondContact O-N 2.78Å; M305-Q308 PolarHBondContact O-N 3.39Å; Q308-R310 PolarHBondContact O-N 2.96Å; Q308-E311 CarbonylContact O-C 3.57Å; Q308-E311 WeakPolarHBondContact O-CA 3.44Å; Q308-E311 PolarHBondContact O-N 3.45Å; Q308-E312 HydrophobicContact CG-CG 3.91Å; Q308-E312 PolarHBondContact NE2-OE1 3.42Å; Q308-E312 WeakPolarHBondContact O-CB 3.49Å; Q308-E312 PolarHBondContact O-N 3.02Å; Q308-N478 VanDerWaalsContact CB-O 3.25Å; Q308-N478 WeakPolarHBondContact CB-O 3.33Å; Q308-N478 VanDerWaalsContact CG-O 3.28Å; Q308-N478 WeakPolarHBondContact CG-O 3.46Å; Q308-E479 PolarHBondContact OE1-O 3.45Å; Q308-E479 VanDerWaalsContact OE1-O 3.07Å
309A94.5Very high93.3Very high29 Ų2968.6 Ų68.624%0.2433%0.33CS..Hα-helixtrans-63.6-26.3-175.700000112.8I94 M305 A307 K313I94-A309 HydrophobicContact CG2-CB 3.65Å; I94-A309 WeakPolarHBondContact O-CB 3.39Å; M305-A309 WeakPolarHBondContact O-CB 3.41Å; M305-A309 PolarHBondContact O-N 2.89Å; A307-A309 VanDerWaalsContact C-N 3.35Å; A307-A309 PolarHBondContact O-N 2.84Å; A309-K313 WeakPolarHBondContact O-CB 3.3Å; A309-K313 PolarHBondContact O-N 3.3Å
310R93.7Very high93.1Very high161 Ų16168.6 Ų68.661%0.60832%0.323SS*.Hα-helixtrans-75.9-40.8169.9-71.5-178.6-60.3-105.11.1111.7K306 A307 Q308 H314K306-R310 VanDerWaalsContact O-CG 3.31Å; K306-R310 WeakPolarHBondContact O-CG 3.47Å; K306-R310 PolarHBondContact O-N 3.48Å; K306-R310 PolarHBondContact O-NE 3.39Å; K306-R310 PolarHBondContact O-NH1 3.3Å; K306-R310 PolarHBondContact O-NH2 3.13Å; A307-R310 WeakPolarHBondContact O-CB 3.45Å; A307-R310 PolarHBondContact O-N 2.84Å; A307-R310 VanDerWaalsContact O-N 3.08Å; Q308-R310 PolarHBondContact O-N 2.96Å; R310-H314 VanDerWaalsContact O-CB 3.3Å; R310-H314 WeakPolarHBondContact O-CB 3.44Å; R310-H314 PolarHBondContact O-N 3.07Å
311E95.2Very high92.9Very high93 Ų9365.5 Ų65.544%0.43532%0.316SS..Hα-helixtrans-68.4-52.1-178.7-155.9168.3137.100111.5A307 Q308 K313 H314 Q315 E477A307-E311 PolarHBondContact O-N 3.2Å; Q308-E311 CarbonylContact O-C 3.57Å; Q308-E311 WeakPolarHBondContact O-CA 3.44Å; Q308-E311 PolarHBondContact O-N 3.45Å; E311-K313 VanDerWaalsContact C-N 3.31Å; E311-K313 PolarHBondContact O-N 3.16Å; E311-H314 WeakPolarHBondContact O-CB 3.22Å; E311-H314 PolarHBondContact O-N 2.62Å; E311-H314 VanDerWaalsContact O-N 3.09Å; E311-Q315 WeakPolarHBondContact O-CB 3.14Å; E311-Q315 PolarHBondContact O-N 3.29Å; E311-E477 PolarHBondContact OE1-N 2.85Å
312E94.1Very high93Very high69 Ų6967.9 Ų67.932%0.32233%0.328SS..Hα-helixtrans-57.6-41.1173-69.2-176.8159.400112.2Q308 Q315 K316Q308-E312 HydrophobicContact CG-CG 3.91Å; Q308-E312 PolarHBondContact NE2-OE1 3.42Å; Q308-E312 WeakPolarHBondContact O-CB 3.49Å; Q308-E312 PolarHBondContact O-N 3.02Å; E312-Q315 PolarHBondContact O-N 2.94Å; E312-K316 WeakPolarHBondContact O-CB 3.46Å; E312-K316 VanDerWaalsContact O-CG 3.29Å; E312-K316 WeakPolarHBondContact O-CG 3.12Å; E312-K316 PolarHBondContact O-N 3.34Å
313K91.3Very high92.7Very high79 Ų7972.3 Ų72.334%0.34335%0.351SS..Hα-helixtrans-66.3-40.2175.5179.7164175.9163.80112D186 A309 E311 Q317D186-K313 WeakPolarHBondContact OD1-CE 3.26Å; D186-K313 IonicContact OD1-NZ 2.81Å; D186-K313 PolarHBondContact OD1-NZ 2.68Å; A309-K313 WeakPolarHBondContact O-CB 3.3Å; A309-K313 PolarHBondContact O-N 3.3Å; E311-K313 VanDerWaalsContact C-N 3.31Å; E311-K313 PolarHBondContact O-N 3.16Å; K313-Q317 WeakPolarHBondContact O-CB 3.31Å; K313-Q317 VanDerWaalsContact O-CG 3.28Å; K313-Q317 WeakPolarHBondContact O-CG 3.25Å; K313-Q317 PolarHBondContact O-N 2.87Å
314H92.1Very high92.3Very high106 Ų10672.2 Ų72.249%0.49135%0.351SS..Hα-helixtrans-64-45.1175-173.340.5000111R310 E311 Q317 M318R310-H314 VanDerWaalsContact O-CB 3.3Å; R310-H314 WeakPolarHBondContact O-CB 3.44Å; R310-H314 PolarHBondContact O-N 3.07Å; E311-H314 WeakPolarHBondContact O-CB 3.22Å; E311-H314 PolarHBondContact O-N 2.62Å; E311-H314 VanDerWaalsContact O-N 3.09Å; H314-Q317 WeakPolarHBondContact O-CB 3.47Å; H314-Q317 PolarHBondContact O-N 3.02Å; H314-Q317 VanDerWaalsContact O-N 3.14Å; H314-M318 WeakPolarHBondContact O-CG 3.47Å; H314-M318 PolarHBondContact O-N 2.94Å
315Q94.2Very high92.1Very high52 Ų5271.4 Ų71.424%0.24335%0.349CS..Hα-helixtrans-60.2-46.8176.4-179.156.530.100112.2E311 E312 Q317 M318 E319 P475E311-Q315 WeakPolarHBondContact O-CB 3.14Å; E311-Q315 PolarHBondContact O-N 3.29Å; E312-Q315 PolarHBondContact O-N 2.94Å; Q315-Q317 VanDerWaalsContact C-N 3.28Å; Q315-Q317 PolarHBondContact O-N 3.08Å; Q315-M318 PolarHBondContact O-N 3.28Å; Q315-E319 WeakPolarHBondContact O-CB 3.35Å; Q315-E319 PolarHBondContact O-N 3.32Å; Q315-P475 VanDerWaalsContact OE1-C 3.24Å; Q315-P475 VanDerWaalsContact OE1-CA 3.28Å
316K91.9Very high91.8Very high57 Ų5775.4 Ų75.425%0.24837%0.368CS..Hα-helixtrans-58.2-38.8173.2-72.8175.8-171.7-175.20112.4D96 L183 E185 E312 R320D96-K316 IonicContact OD1-NZ 2.82Å; D96-K316 IonicContact OD2-NZ 3.14Å; D96-K316 PolarHBondContact OD2-NZ 3.26Å; L183-K316 HydrophobicContact CD1-CB 4.31Å; E185-K316 IonicContact OE1-NZ 2.77Å; E185-K316 PolarHBondContact OE1-NZ 2.92Å; E312-K316 WeakPolarHBondContact O-CB 3.46Å; E312-K316 VanDerWaalsContact O-CG 3.29Å; E312-K316 WeakPolarHBondContact O-CG 3.12Å; E312-K316 PolarHBondContact O-N 3.34Å; K316-R320 WeakPolarHBondContact O-CB 3.39Å; K316-R320 PolarHBondContact O-N 3.34Å
317Q90.1Very high91.5Very high89 Ų8980.4 Ų80.442%0.41639%0.39SS..Hα-helixtrans-70.5-40.5177.1-73.9177.1-7.800112.2L183 K313 H314 Q315 R320 A321L183-Q317 HydrophobicContact CD1-CG 4.02Å; K313-Q317 WeakPolarHBondContact O-CB 3.31Å; K313-Q317 VanDerWaalsContact O-CG 3.28Å; K313-Q317 WeakPolarHBondContact O-CG 3.25Å; K313-Q317 PolarHBondContact O-N 2.87Å; H314-Q317 WeakPolarHBondContact O-CB 3.47Å; H314-Q317 PolarHBondContact O-N 3.02Å; H314-Q317 VanDerWaalsContact O-N 3.14Å; Q315-Q317 VanDerWaalsContact C-N 3.28Å; Q315-Q317 PolarHBondContact O-N 3.08Å; Q317-R320 PolarHBondContact O-N 2.73Å; Q317-A321 WeakPolarHBondContact O-CB 3.25Å; Q317-A321 PolarHBondContact O-N 2.65Å
318M91.2Very high91.2Very high66 Ų6684 Ų8433%0.32540%0.398SS..Hα-helixtrans-64.8-43.3174.6-70.4-166.3-65.500111.8H314 Q315 A321 M322H314-M318 WeakPolarHBondContact O-CG 3.47Å; H314-M318 PolarHBondContact O-N 2.94Å; Q315-M318 PolarHBondContact O-N 3.28Å; M318-A321 PolarHBondContact O-N 2.9Å; M318-M322 WeakPolarHBondContact O-CB 3.07Å; M318-M322 WeakPolarHBondContact O-CG 3.4Å; M318-M322 PolarHBondContact O-N 3.39Å
319E90.9Very high91.1Very high110 Ų11089.2 Ų89.251%0.51442%0.421SS..Hα-helixtrans-60.6-47.7175.1-171.4-177.4163.700111.3Q315 A321 M322 L323Q315-E319 WeakPolarHBondContact O-CB 3.35Å; Q315-E319 PolarHBondContact O-N 3.32Å; E319-A321 VanDerWaalsContact C-N 3.35Å; E319-A321 PolarHBondContact O-N 3.14Å; E319-M322 PolarHBondContact O-N 3.5Å; E319-L323 HydrophobicContact CG-CD1 4.14Å; E319-L323 WeakPolarHBondContact O-CG 3.36Å; E319-L323 PolarHBondContact O-N 2.77Å
320R85.9Confident90.8Very high63 Ų6395.5 Ų95.524%0.23844%0.438CS..Hα-helixtrans-58.9-44.4175.4-173176.8-172.7152.25.9111.9D136 G181 M182 K316 Q317 M322 L323 E324D136-R320 IonicContact OD1-CZ 3.65Å; D136-R320 IonicContact OD1-NH2 3.44Å; D136-R320 PolarHBondContact OD1-NH2 2.84Å; D136-R320 IonicContact OD2-NH2 2.98Å; D136-R320 PolarHBondContact OD2-NH2 3.25Å; G181-R320 VanDerWaalsContact CA-NH2 3.32Å; G181-R320 VanDerWaalsContact O-CZ 3.27Å; G181-R320 PolarHBondContact O-NH1 2.92Å; M182-R320 PolarHBondContact O-NH1 2.73Å; K316-R320 WeakPolarHBondContact O-CB 3.39Å; K316-R320 PolarHBondContact O-N 3.34Å; Q317-R320 PolarHBondContact O-N 2.73Å; R320-M322 VanDerWaalsContact C-N 3.34Å; R320-M322 PolarHBondContact O-N 3.49Å; R320-L323 PolarHBondContact O-N 2.9Å; R320-E324 WeakPolarHBondContact O-CB 3.48Å; R320-E324 PolarHBondContact O-N 3.48Å
321A89.1Confident90.6Very high57 Ų5791.9 Ų91.947%0.47143%0.428SS..Hα-helixtrans-64.6-37.7178.200000112.4Q317 M318 E319 N325Q317-A321 WeakPolarHBondContact O-CB 3.25Å; Q317-A321 PolarHBondContact O-N 2.65Å; M318-A321 PolarHBondContact O-N 2.9Å; E319-A321 VanDerWaalsContact C-N 3.35Å; E319-A321 PolarHBondContact O-N 3.14Å; A321-N325 WeakPolarHBondContact O-CB 3.3Å; A321-N325 PolarHBondContact O-N 2.78Å
322M92.1Very high90.5Very high109 Ų10993.3 Ų93.354%0.53744%0.437SS..Hα-helixtrans-67.4-44.1175.1-76.3-68.9-78.700112.1M318 E319 R320 E324 N325 E326M318-M322 WeakPolarHBondContact O-CB 3.07Å; M318-M322 WeakPolarHBondContact O-CG 3.4Å; M318-M322 PolarHBondContact O-N 3.39Å; E319-M322 PolarHBondContact O-N 3.5Å; R320-M322 VanDerWaalsContact C-N 3.34Å; R320-M322 PolarHBondContact O-N 3.49Å; M322-E324 PolarHBondContact O-N 3.14Å; M322-N325 PolarHBondContact O-N 3.49Å; M322-E326 WeakPolarHBondContact O-CB 3.48Å; M322-E326 PolarHBondContact O-N 2.6Å
323L88Confident90.4Very high98 Ų9892.6 Ų92.651%0.51344%0.442SS..Hα-helixtrans-63.7-38.4175-70.4170000112.2E319 R320 E326 K327E319-L323 HydrophobicContact CG-CD1 4.14Å; E319-L323 WeakPolarHBondContact O-CG 3.36Å; E319-L323 PolarHBondContact O-N 2.77Å; R320-L323 PolarHBondContact O-N 2.9Å; L323-E326 PolarHBondContact O-N 2.97Å; L323-K327 WeakPolarHBondContact O-CB 3.18Å; L323-K327 PolarHBondContact O-N 2.85Å
324E86.8Confident90.4Very high94 Ų9494.8 Ų94.844%0.43945%0.454SS..Hα-helixtrans-69.7-40.1176-163.1-171.9141.800112R320 M322 K327 K328R320-E324 WeakPolarHBondContact O-CB 3.48Å; R320-E324 PolarHBondContact O-N 3.48Å; M322-E324 PolarHBondContact O-N 3.14Å; E324-K327 PolarHBondContact O-N 2.73Å; E324-K328 HydrophobicContact CG-CD 4.42Å; E324-K328 WeakPolarHBondContact O-CB 3.47Å; E324-K328 WeakPolarHBondContact O-CG 3.44Å; E324-K328 PolarHBondContact O-N 3.48Å; E324-K328 VanDerWaalsContact OE1-CE 3.26Å; E324-K328 WeakPolarHBondContact OE1-CE 3.32Å; E324-K328 IonicContact OE1-NZ 3.82Å; E324-K328 PolarHBondContact OE1-NZ 2.83Å
325N90.1Very high90.4Very high70 Ų7094.4 Ų94.437%0.37445%0.451SS..Hα-helixtrans-61.7-43172.5-17511000111.2A321 M322 K328 K329A321-N325 WeakPolarHBondContact O-CB 3.3Å; A321-N325 PolarHBondContact O-N 2.78Å; M322-N325 PolarHBondContact O-N 3.49Å; N325-K328 PolarHBondContact O-N 2.83Å; N325-K329 PolarHBondContact ND2-NZ 3.09Å; N325-K329 WeakPolarHBondContact O-CB 3.42Å; N325-K329 WeakPolarHBondContact O-CG 3.37Å; N325-K329 PolarHBondContact O-N 3.43Å; N325-K329 WeakPolarHBondContact OD1-CE 3.38Å; N325-K329 PolarHBondContact OD1-NZ 3.33Å
326E90.4Very high90.3Very high85 Ų8597.8 Ų97.840%0.39747%0.466SS..Hα-helixtrans-65.6-44.4175.3-155.1-157.4152.500111.7M322 L323 K328 K329 R330M322-E326 WeakPolarHBondContact O-CB 3.48Å; M322-E326 PolarHBondContact O-N 2.6Å; L323-E326 PolarHBondContact O-N 2.97Å; E326-K328 VanDerWaalsContact C-N 3.33Å; E326-K328 PolarHBondContact O-N 2.88Å; E326-K329 WeakPolarHBondContact O-CB 3.17Å; E326-K329 PolarHBondContact O-N 2.85Å; E326-K329 VanDerWaalsContact O-N 3.14Å; E326-R330 WeakPolarHBondContact O-CG 3.35Å; E326-R330 PolarHBondContact O-N 2.91Å; E326-R330 IonicContact OE1-CZ 2.88Å; E326-R330 IonicContact OE1-NE 2.86Å; E326-R330 PolarHBondContact OE1-NE 3.39Å; E326-R330 IonicContact OE1-NH2 3.3Å; E326-R330 PolarHBondContact OE1-NH2 3.38Å; E326-R330 IonicContact OE2-NH2 2.95Å
327K88.6Confident90.3Very high147 Ų147101 Ų10164%0.63948%0.48SS*.Hα-helixtrans-57.2-46.1175.3-175.5179.8177.1-177.70111.4L323 E324 K329 R330 E331L323-K327 WeakPolarHBondContact O-CB 3.18Å; L323-K327 PolarHBondContact O-N 2.85Å; E324-K327 PolarHBondContact O-N 2.73Å; K327-K329 PolarHBondContact O-N 3.14Å; K327-R330 PolarHBondContact O-N 3.14Å; K327-E331 WeakPolarHBondContact O-CB 3.21Å; K327-E331 PolarHBondContact O-N 3.11Å
328K90.4Very high90.4Very high113 Ų113101.4 Ų101.449%0.49148%0.482SS..Hα-helixtrans-61.5-41.1175.9-75166.3173170.10112E324 N325 E326 E331 M332E324-K328 HydrophobicContact CG-CD 4.42Å; E324-K328 WeakPolarHBondContact O-CB 3.47Å; E324-K328 WeakPolarHBondContact O-CG 3.44Å; E324-K328 PolarHBondContact O-N 3.48Å; E324-K328 VanDerWaalsContact OE1-CE 3.26Å; E324-K328 WeakPolarHBondContact OE1-CE 3.32Å; E324-K328 IonicContact OE1-NZ 3.82Å; E324-K328 PolarHBondContact OE1-NZ 2.83Å; N325-K328 PolarHBondContact O-N 2.83Å; E326-K328 VanDerWaalsContact C-N 3.33Å; E326-K328 PolarHBondContact O-N 2.88Å; K328-E331 PolarHBondContact O-N 3.43Å; K328-M332 WeakPolarHBondContact O-CB 3.36Å; K328-M332 VanDerWaalsContact O-CG 3.28Å; K328-M332 WeakPolarHBondContact O-CG 3.33Å; K328-M332 PolarHBondContact O-N 2.97Å
329K92.1Very high90.6Very high127 Ų127103.2 Ų103.255%0.55249%0.488SS*.Hα-helixtrans-64.2-41.8174.7-75.6166.2176.1167.40112.5N325 E326 K327 M332 A333N325-K329 PolarHBondContact ND2-NZ 3.09Å; N325-K329 WeakPolarHBondContact O-CB 3.42Å; N325-K329 WeakPolarHBondContact O-CG 3.37Å; N325-K329 PolarHBondContact O-N 3.43Å; N325-K329 WeakPolarHBondContact OD1-CE 3.38Å; N325-K329 PolarHBondContact OD1-NZ 3.33Å; E326-K329 WeakPolarHBondContact O-CB 3.17Å; E326-K329 PolarHBondContact O-N 2.85Å; E326-K329 VanDerWaalsContact O-N 3.14Å; K327-K329 PolarHBondContact O-N 3.14Å; K329-M332 PolarHBondContact O-N 3.06Å; K329-A333 WeakPolarHBondContact O-CB 3.31Å; K329-A333 PolarHBondContact O-N 2.77Å
330R88.8Confident90.6Very high160 Ų160102.5 Ų102.560%0.60449%0.487SS*.Hα-helixtrans-62.3-47.4174.6-69.1178.5-174.5-166.77.2111.3E326 K327 M332 A333 E334E326-R330 WeakPolarHBondContact O-CG 3.35Å; E326-R330 PolarHBondContact O-N 2.91Å; E326-R330 IonicContact OE1-CZ 2.88Å; E326-R330 IonicContact OE1-NE 2.86Å; E326-R330 PolarHBondContact OE1-NE 3.39Å; E326-R330 IonicContact OE1-NH2 3.3Å; E326-R330 PolarHBondContact OE1-NH2 3.38Å; E326-R330 IonicContact OE2-NH2 2.95Å; K327-R330 PolarHBondContact O-N 3.14Å; R330-M332 VanDerWaalsContact C-N 3.32Å; R330-M332 PolarHBondContact O-N 3.4Å; R330-A333 PolarHBondContact O-N 3.24Å; R330-E334 WeakPolarHBondContact O-CB 3.5Å; R330-E334 PolarHBondContact O-N 3.05Å
331E90.7Very high90.9Very high85 Ų85103.6 Ų103.640%0.39750%0.495SS..Hα-helixtrans-61.7-37.5177.6-171.7-172.1150.500112.4K327 K328 K335K327-E331 WeakPolarHBondContact O-CB 3.21Å; K327-E331 PolarHBondContact O-N 3.11Å; K328-E331 PolarHBondContact O-N 3.43Å; E331-K335 WeakPolarHBondContact O-CG 3.43Å; E331-K335 PolarHBondContact O-N 3.46Å; E331-K335 VanDerWaalsContact O-N 3.16Å; E331-K335 IonicContact OE1-NZ 2.69Å; E331-K335 PolarHBondContact OE1-NZ 2.61Å
332M91.7Very high91.1Very high124 Ų124107.3 Ų107.361%0.61150%0.496SS*.Hα-helixtrans-69.6-43.2174-72-62-62.800112.3K328 K329 R330 E334 K335 E336K328-M332 WeakPolarHBondContact O-CB 3.36Å; K328-M332 VanDerWaalsContact O-CG 3.28Å; K328-M332 WeakPolarHBondContact O-CG 3.33Å; K328-M332 PolarHBondContact O-N 2.97Å; K329-M332 PolarHBondContact O-N 3.06Å; R330-M332 VanDerWaalsContact C-N 3.32Å; R330-M332 PolarHBondContact O-N 3.4Å; M332-E334 VanDerWaalsContact C-N 3.31Å; M332-E334 PolarHBondContact O-N 3.23Å; M332-K335 PolarHBondContact O-N 3.07Å; M332-E336 WeakPolarHBondContact O-CB 3.01Å; M332-E336 PolarHBondContact O-N 3.23Å
333A92.2Very high91.1Very high53 Ų53106 Ų10644%0.43849%0.489SS..Hα-helixtrans-67.1-3117700000112.8K329 R330 K337K329-A333 WeakPolarHBondContact O-CB 3.31Å; K329-A333 PolarHBondContact O-N 2.77Å; R330-A333 PolarHBondContact O-N 3.24Å; A333-K337 WeakPolarHBondContact O-CB 3.3Å; A333-K337 PolarHBondContact O-N 2.94Å
334E90.6Very high91.2Very high126 Ų126106.9 Ų106.959%0.58949%0.489SS*.Hα-helixtrans-66.4-48.7172.7-175.3164.1-141.600110.9R330 M332 E336 K337 E338R330-E334 WeakPolarHBondContact O-CB 3.5Å; R330-E334 PolarHBondContact O-N 3.05Å; M332-E334 VanDerWaalsContact C-N 3.31Å; M332-E334 PolarHBondContact O-N 3.23Å; E334-E336 VanDerWaalsContact C-N 3.32Å; E334-E336 PolarHBondContact O-N 3.11Å; E334-K337 WeakPolarHBondContact O-CB 3.26Å; E334-K337 PolarHBondContact O-N 3.27Å; E334-E338 WeakPolarHBondContact O-CG 3.43Å; E334-E338 PolarHBondContact O-N 2.73Å
335K92.8Very high91.5Very high98 Ų98108 Ų10843%0.42649%0.494SS..Hα-helixtrans-63.6-34.8174.2-69168.4-170.1171.20113E331 M332 K339E331-K335 WeakPolarHBondContact O-CG 3.43Å; E331-K335 PolarHBondContact O-N 3.46Å; E331-K335 VanDerWaalsContact O-N 3.16Å; E331-K335 IonicContact OE1-NZ 2.69Å; E331-K335 PolarHBondContact OE1-NZ 2.61Å; M332-K335 PolarHBondContact O-N 3.07Å; K335-K339 WeakPolarHBondContact O-CB 3.33Å; K335-K339 PolarHBondContact O-N 3.19Å
336E92.6Very high91.6Very high122 Ų122111.2 Ų111.257%0.5751%0.507SS*.Hα-helixtrans-67.9-41.9173.3-173.3171.9-162.500111.2M332 E334 K339 I340M332-E336 WeakPolarHBondContact O-CB 3.01Å; M332-E336 PolarHBondContact O-N 3.23Å; E334-E336 VanDerWaalsContact C-N 3.32Å; E334-E336 PolarHBondContact O-N 3.11Å; E336-K339 WeakPolarHBondContact O-CB 3.35Å; E336-K339 PolarHBondContact O-N 3.43Å; E336-I340 HydrophobicContact CG-CD1 3.99Å; E336-I340 WeakPolarHBondContact O-CG1 3.49Å; E336-I340 PolarHBondContact O-N 3.11Å
337K91.8Very high91.6Very high124 Ų124112.2 Ų112.254%0.53951%0.514SS..Hα-helixtrans-60.1-49.2171.2179.4-172.6173.2-76.30111.3A333 E334 K339 I340 E341A333-K337 WeakPolarHBondContact O-CB 3.3Å; A333-K337 PolarHBondContact O-N 2.94Å; E334-K337 WeakPolarHBondContact O-CB 3.26Å; E334-K337 PolarHBondContact O-N 3.27Å; K337-K339 PolarHBondContact O-N 3.09Å; K337-I340 PolarHBondContact O-N 2.95Å; K337-E341 IonicContact NZ-OE1 3.8Å; K337-E341 IonicContact NZ-OE2 3.83Å; K337-E341 PolarHBondContact NZ-OE2 2.96Å; K337-E341 VanDerWaalsContact O-CB 3.24Å; K337-E341 WeakPolarHBondContact O-CB 3.38Å; K337-E341 PolarHBondContact O-N 3.09Å
338E92.9Very high91.7Very high99 Ų99109.5 Ų109.546%0.46351%0.505SS..Hα-helixtrans-58.2-32.9176-72.7-176.2159.100112.4E334 R342E334-E338 WeakPolarHBondContact O-CG 3.43Å; E334-E338 PolarHBondContact O-N 2.73Å; E338-R342 WeakPolarHBondContact O-CG 3.35Å; E338-R342 PolarHBondContact O-N 2.95Å; E338-R342 PolarHBondContact O-NE 3.42Å; E338-R342 IonicContact OE2-NH2 2.82Å
339K94.2Very high91.8Very high104 Ų104107.9 Ų107.945%0.45250%0.499SS..Hα-helixtrans-71.5-49.2175.3-177.7179.3172-73.80110.9K335 E336 K337 E341 R342 E343K335-K339 WeakPolarHBondContact O-CB 3.33Å; K335-K339 PolarHBondContact O-N 3.19Å; E336-K339 WeakPolarHBondContact O-CB 3.35Å; E336-K339 PolarHBondContact O-N 3.43Å; K337-K339 PolarHBondContact O-N 3.09Å; K339-E341 VanDerWaalsContact C-N 3.26Å; K339-E341 PolarHBondContact O-N 3.08Å; K339-R342 PolarHBondContact O-N 3.39Å; K339-E343 WeakPolarHBondContact CE-OE1 3.43Å; K339-E343 HydrophobicContact CG-CG 4.49Å; K339-E343 IonicContact NZ-OE1 3.26Å; K339-E343 PolarHBondContact NZ-OE1 3.37Å; K339-E343 IonicContact NZ-OE2 3.41Å; K339-E343 PolarHBondContact NZ-OE2 2.86Å; K339-E343 WeakPolarHBondContact O-CB 3.22Å; K339-E343 WeakPolarHBondContact O-CG 3.46Å; K339-E343 PolarHBondContact O-N 3.06Å
340I91.8Very high91.7Very high94 Ų94110 Ų11048%0.48250%0.504SS..Hα-helixtrans-61.5-35.2176.8-68.5165.7000111.3E336 K337 K344E336-I340 HydrophobicContact CG-CD1 3.99Å; E336-I340 WeakPolarHBondContact O-CG1 3.49Å; E336-I340 PolarHBondContact O-N 3.11Å; K337-I340 PolarHBondContact O-N 2.95Å; I340-K344 WeakPolarHBondContact O-CB 3.48Å; I340-K344 PolarHBondContact O-N 3.46Å
341E92.1Very high91.5Very high87 Ų87107.7 Ų107.741%0.40750%0.503SS..Hα-helixtrans-68-43.4178.1-166.3145.6-141.900111.2K337 K339 K344 E345K337-E341 IonicContact NZ-OE1 3.8Å; K337-E341 IonicContact NZ-OE2 3.83Å; K337-E341 PolarHBondContact NZ-OE2 2.96Å; K337-E341 VanDerWaalsContact O-CB 3.24Å; K337-E341 WeakPolarHBondContact O-CB 3.38Å; K337-E341 PolarHBondContact O-N 3.09Å; K339-E341 VanDerWaalsContact C-N 3.26Å; K339-E341 PolarHBondContact O-N 3.08Å; E341-K344 WeakPolarHBondContact O-CB 3.29Å; E341-K344 PolarHBondContact O-N 3.07Å; E341-E345 WeakPolarHBondContact O-CG 3.35Å; E341-E345 PolarHBondContact O-N 2.82Å
342R93.4Very high91.5Very high134 Ų134108.6 Ų108.651%0.50651%0.505SS..Hα-helixtrans-64.4-46.7170.4-77.3173.8-76.1-176.6-10113E338 K339 K344 E345 E346E338-R342 WeakPolarHBondContact O-CG 3.35Å; E338-R342 PolarHBondContact O-N 2.95Å; E338-R342 PolarHBondContact O-NE 3.42Å; E338-R342 IonicContact OE2-NH2 2.82Å; K339-R342 PolarHBondContact O-N 3.39Å; R342-K344 PolarHBondContact O-N 2.58Å; R342-E345 PolarHBondContact O-N 3.08Å; R342-E345 VanDerWaalsContact O-N 3.08Å; R342-E346 WeakPolarHBondContact O-CG 3.37Å; R342-E346 PolarHBondContact O-N 3.4Å
343E92.5Very high91.3Very high82 Ų82107.3 Ų107.338%0.38350%0.498SS..Hα-helixtrans-60.2-34.6176.4-73.3176.8148.600111.4K339 L347K339-E343 WeakPolarHBondContact CE-OE1 3.43Å; K339-E343 HydrophobicContact CG-CG 4.49Å; K339-E343 IonicContact NZ-OE1 3.26Å; K339-E343 PolarHBondContact NZ-OE1 3.37Å; K339-E343 IonicContact NZ-OE2 3.41Å; K339-E343 PolarHBondContact NZ-OE2 2.86Å; K339-E343 WeakPolarHBondContact O-CB 3.22Å; K339-E343 WeakPolarHBondContact O-CG 3.46Å; K339-E343 PolarHBondContact O-N 3.06Å; E343-L347 VanDerWaalsContact O-CB 3.3Å; E343-L347 WeakPolarHBondContact O-CB 3.41Å; E343-L347 WeakPolarHBondContact O-CD1 3.45Å; E343-L347 WeakPolarHBondContact O-CG 3.32Å; E343-L347 PolarHBondContact O-N 2.83Å
344K89.8Confident91Very high116 Ų116108.6 Ų108.650%0.50450%0.497SS..Hα-helixtrans-69.3-42.2172.5-179.2-161.7168.2-159.20112.1I340 E341 R342 L347 M348I340-K344 WeakPolarHBondContact O-CB 3.48Å; I340-K344 PolarHBondContact O-N 3.46Å; E341-K344 WeakPolarHBondContact O-CB 3.29Å; E341-K344 PolarHBondContact O-N 3.07Å; R342-K344 PolarHBondContact O-N 2.58Å; K344-L347 PolarHBondContact O-N 3.27Å; K344-M348 HydrophobicContact CD-CE 4.39Å; K344-M348 HydrophobicContact CG-CE 4.13Å; K344-M348 HydrophobicContact CG-CG 4.46Å; K344-M348 HydrophobicContact CG-SD 4.28Å; K344-M348 WeakPolarHBondContact O-CB 3.34Å; K344-M348 VanDerWaalsContact O-CG 3.26Å; K344-M348 WeakPolarHBondContact O-CG 3.47Å; K344-M348 PolarHBondContact O-N 2.91Å
345E92.4Very high90.7Very high119 Ų119109.2 Ų109.256%0.55650%0.5SS*.Hα-helixtrans-62.1-46.1175-74.4-178154.100111.7E341 R342 L347 M348 E349E341-E345 WeakPolarHBondContact O-CG 3.35Å; E341-E345 PolarHBondContact O-N 2.82Å; R342-E345 PolarHBondContact O-N 3.08Å; R342-E345 VanDerWaalsContact O-N 3.08Å; E345-L347 VanDerWaalsContact C-N 3.35Å; E345-L347 PolarHBondContact O-N 2.56Å; E345-M348 HydrophobicContact CG-CE 4.11Å; E345-M348 PolarHBondContact O-N 2.86Å; E345-E349 PolarHBondContact O-N 3.23Å
346E92.3Very high90.4Very high137 Ų137109.3 Ų109.364%0.6450%0.501SS*.Hα-helixtrans-59.2-43173.6-71.1178.3-166.900112R342 R350R342-E346 WeakPolarHBondContact O-CG 3.37Å; R342-E346 PolarHBondContact O-N 3.4Å; E346-R350 VanDerWaalsContact O-CB 3.22Å; E346-R350 WeakPolarHBondContact O-CB 3.1Å; E346-R350 PolarHBondContact O-N 2.8Å
347L91.1Very high90.1Very high106 Ų106109.5 Ų109.556%0.55550%0.502SS*.Hα-helixtrans-66.6-38.7175.4-77.5168.6000113E343 K344 E345 R350 L351E343-L347 VanDerWaalsContact O-CB 3.3Å; E343-L347 WeakPolarHBondContact O-CB 3.41Å; E343-L347 WeakPolarHBondContact O-CD1 3.45Å; E343-L347 WeakPolarHBondContact O-CG 3.32Å; E343-L347 PolarHBondContact O-N 2.83Å; K344-L347 PolarHBondContact O-N 3.27Å; E345-L347 VanDerWaalsContact C-N 3.35Å; E345-L347 PolarHBondContact O-N 2.56Å; L347-R350 PolarHBondContact O-N 3.5Å; L347-L351 WeakPolarHBondContact O-CB 3.49Å; L347-L351 VanDerWaalsContact O-CG 3.26Å; L347-L351 WeakPolarHBondContact O-CG 3.23Å; L347-L351 PolarHBondContact O-N 2.62Å
348M90.7Very high89.5Confident90 Ų90106.7 Ų106.744%0.44350%0.496SS..Hα-helixtrans-67.9-42.5177.1-74.2-176-52.800111.6K344 E345 L351 K352K344-M348 HydrophobicContact CD-CE 4.39Å; K344-M348 HydrophobicContact CG-CE 4.13Å; K344-M348 HydrophobicContact CG-CG 4.46Å; K344-M348 HydrophobicContact CG-SD 4.28Å; K344-M348 WeakPolarHBondContact O-CB 3.34Å; K344-M348 VanDerWaalsContact O-CG 3.26Å; K344-M348 WeakPolarHBondContact O-CG 3.47Å; K344-M348 PolarHBondContact O-N 2.91Å; E345-M348 HydrophobicContact CG-CE 4.11Å; E345-M348 PolarHBondContact O-N 2.86Å; M348-L351 PolarHBondContact O-N 3.37Å; M348-K352 WeakPolarHBondContact O-CB 3.46Å; M348-K352 PolarHBondContact O-N 2.98Å
349E90.9Very high89.2Confident78 Ų78107.7 Ų107.736%0.36450%0.499SS..Hα-helixtrans-66.5-39.1175.3-179.153.9-145.100111.3E345 K352 Q353E345-E349 PolarHBondContact O-N 3.23Å; E349-K352 PolarHBondContact O-N 3.03Å; E349-K352 IonicContact OE1-NZ 3.15Å; E349-K352 PolarHBondContact OE1-NZ 3.25Å; E349-K352 IonicContact OE2-NZ 3.13Å; E349-K352 PolarHBondContact OE2-NZ 3.28Å; E349-Q353 VanDerWaalsContact O-CG 3.32Å; E349-Q353 WeakPolarHBondContact O-CG 3.43Å; E349-Q353 PolarHBondContact O-N 3.34Å; E349-Q353 PolarHBondContact OE1-NE2 3.19Å
350R89.6Confident88.7Confident172 Ų172107.6 Ų107.665%0.64950%0.498SS*.Hα-helixtrans-66.4-38.1174.4-167.5171.7-173164.61.1112.6E346 L347 Q353 I354E346-R350 VanDerWaalsContact O-CB 3.22Å; E346-R350 WeakPolarHBondContact O-CB 3.1Å; E346-R350 PolarHBondContact O-N 2.8Å; L347-R350 PolarHBondContact O-N 3.5Å; R350-Q353 PolarHBondContact O-N 2.87Å; R350-I354 HydrophobicContact CG-CD1 4.34Å; R350-I354 VanDerWaalsContact O-CG1 3.29Å; R350-I354 WeakPolarHBondContact O-CG1 3.49Å; R350-I354 PolarHBondContact O-N 3.45Å
351L86.2Confident88.3Confident111 Ų111105.8 Ų105.858%0.58150%0.497SS*.Hα-helixtrans-63.6-43.3172.1-79.6169.2000111.5L347 M348 Q353 I354 E355L347-L351 WeakPolarHBondContact O-CB 3.49Å; L347-L351 VanDerWaalsContact O-CG 3.26Å; L347-L351 WeakPolarHBondContact O-CG 3.23Å; L347-L351 PolarHBondContact O-N 2.62Å; M348-L351 PolarHBondContact O-N 3.37Å; L351-Q353 VanDerWaalsContact C-N 3.34Å; L351-Q353 PolarHBondContact O-N 3.14Å; L351-I354 CarbonylContact O-C 3.56Å; L351-I354 PolarHBondContact O-N 2.93Å; L351-E355 WeakPolarHBondContact O-CB 3.4Å; L351-E355 PolarHBondContact O-N 3.35Å
352K89.1Confident87.8Confident105 Ų105107 Ų10746%0.45750%0.503SS..Hα-helixtrans-61.8-39.2174.9168.7173.2149.1-93.70112.2M348 E349 E355 E356M348-K352 WeakPolarHBondContact O-CB 3.46Å; M348-K352 PolarHBondContact O-N 2.98Å; E349-K352 PolarHBondContact O-N 3.03Å; E349-K352 IonicContact OE1-NZ 3.15Å; E349-K352 PolarHBondContact OE1-NZ 3.25Å; E349-K352 IonicContact OE2-NZ 3.13Å; E349-K352 PolarHBondContact OE2-NZ 3.28Å; K352-E355 PolarHBondContact O-N 3.48Å; K352-E356 WeakPolarHBondContact O-CB 3.45Å; K352-E356 PolarHBondContact O-N 3.43Å
353Q88.9Confident87.3Confident96 Ų96105.9 Ų105.945%0.44950%0.503SS..Hα-helixtrans-65.6-41.2173.4-71.8169.119.100112E349 R350 L351 E356 Q357E349-Q353 VanDerWaalsContact O-CG 3.32Å; E349-Q353 WeakPolarHBondContact O-CG 3.43Å; E349-Q353 PolarHBondContact O-N 3.34Å; E349-Q353 PolarHBondContact OE1-NE2 3.19Å; R350-Q353 PolarHBondContact O-N 2.87Å; L351-Q353 VanDerWaalsContact C-N 3.34Å; L351-Q353 PolarHBondContact O-N 3.14Å; Q353-E356 PolarHBondContact O-N 3.34Å; Q353-Q357 WeakPolarHBondContact O-CB 3.46Å; Q353-Q357 VanDerWaalsContact O-CG 3.24Å; Q353-Q357 WeakPolarHBondContact O-CG 3.31Å; Q353-Q357 PolarHBondContact O-N 2.87Å
354I85.5Confident86.8Confident81 Ų81107.8 Ų107.842%0.41551%0.512SS..Hα-helixtrans-65.3-39.2173.7-68.8163.8000111R350 L351 Q357 T358R350-I354 HydrophobicContact CG-CD1 4.34Å; R350-I354 VanDerWaalsContact O-CG1 3.29Å; R350-I354 WeakPolarHBondContact O-CG1 3.49Å; R350-I354 PolarHBondContact O-N 3.45Å; L351-I354 CarbonylContact O-C 3.56Å; L351-I354 PolarHBondContact O-N 2.93Å; I354-Q357 PolarHBondContact O-N 3.24Å; I354-T358 VanDerWaalsContact O-CB 3.23Å; I354-T358 WeakPolarHBondContact O-CB 3.34Å; I354-T358 PolarHBondContact O-N 3.04Å; I354-T358 PolarHBondContact O-OG1 2.89Å
355E83.8Confident86.3Confident139 Ų139105.9 Ų105.965%0.6551%0.507SS*.Hα-helixtrans-64.8-45.1175.9-172.7-177.817500111.1L351 K352 T358 K359L351-E355 WeakPolarHBondContact O-CB 3.4Å; L351-E355 PolarHBondContact O-N 3.35Å; K352-E355 PolarHBondContact O-N 3.48Å; E355-T358 PolarHBondContact O-N 3.01Å; E355-K359 VanDerWaalsContact O-CB 3.24Å; E355-K359 WeakPolarHBondContact O-CB 3.47Å; E355-K359 PolarHBondContact O-N 3.32Å
356E87.7Confident85.8Confident99 Ų99106.7 Ų106.746%0.46351%0.511SS..Hα-helixtrans-66.7-37.7177.4-164.3-177.5137.100112.1K352 Q353 K360K352-E356 WeakPolarHBondContact O-CB 3.45Å; K352-E356 PolarHBondContact O-N 3.43Å; Q353-E356 PolarHBondContact O-N 3.34Å; E356-K360 VanDerWaalsContact O-CG 3.3Å; E356-K360 WeakPolarHBondContact O-CG 3.27Å; E356-K360 PolarHBondContact O-N 2.98Å; E356-K360 WeakPolarHBondContact OE1-CE 3.43Å; E356-K360 IonicContact OE1-NZ 3.69Å; E356-K360 PolarHBondContact OE1-NZ 2.65Å
357Q85.5Confident85.4Confident126 Ų126103.4 Ų103.459%0.58950%0.496SS*.Hα-helixtrans-64.7-46.5171.5-75.4172.6-6.800111.6Q353 I354 K359 K360 A361Q353-Q357 WeakPolarHBondContact O-CB 3.46Å; Q353-Q357 VanDerWaalsContact O-CG 3.24Å; Q353-Q357 WeakPolarHBondContact O-CG 3.31Å; Q353-Q357 PolarHBondContact O-N 2.87Å; I354-Q357 PolarHBondContact O-N 3.24Å; Q357-K359 VanDerWaalsContact C-N 3.31Å; Q357-K359 PolarHBondContact O-N 3.35Å; Q357-K360 PolarHBondContact O-N 2.95Å; Q357-A361 WeakPolarHBondContact O-CB 3.5Å; Q357-A361 PolarHBondContact O-N 3.48Å
358T80.2Confident85Confident66 Ų66102.3 Ų102.341%0.40549%0.488SS..Hα-helixtrans-62.3-40.4178.3-58.40000110.8I354 E355 A361 Q362I354-T358 VanDerWaalsContact O-CB 3.23Å; I354-T358 WeakPolarHBondContact O-CB 3.34Å; I354-T358 PolarHBondContact O-N 3.04Å; I354-T358 PolarHBondContact O-OG1 2.89Å; E355-T358 PolarHBondContact O-N 3.01Å; T358-A361 PolarHBondContact O-N 2.89Å; T358-Q362 WeakPolarHBondContact O-CB 3.16Å; T358-Q362 VanDerWaalsContact O-CG 3.27Å; T358-Q362 WeakPolarHBondContact O-CG 3.35Å; T358-Q362 PolarHBondContact O-N 2.84Å
359K85.5Confident84.5Confident120 Ų120102 Ų10252%0.52249%0.491SS..Hα-helixtrans-66.6-39.3176.5-174.5174.5-178.2175.70112.4E355 Q357 Q362 Q363E355-K359 VanDerWaalsContact O-CB 3.24Å; E355-K359 WeakPolarHBondContact O-CB 3.47Å; E355-K359 PolarHBondContact O-N 3.32Å; Q357-K359 VanDerWaalsContact C-N 3.31Å; Q357-K359 PolarHBondContact O-N 3.35Å; K359-Q362 PolarHBondContact O-N 3.22Å; K359-Q363 WeakPolarHBondContact O-CB 3.48Å; K359-Q363 VanDerWaalsContact O-CG 3.29Å; K359-Q363 WeakPolarHBondContact O-CG 3.13Å; K359-Q363 PolarHBondContact O-N 3.22Å
360K84.6Confident84.2Confident102 Ų102103.8 Ų103.844%0.44349%0.494SS..Hα-helixtrans-64.6-47.2172.6-74167.5-173.6167.50111.1E356 Q357 Q362 Q363 E364E356-K360 VanDerWaalsContact O-CG 3.3Å; E356-K360 WeakPolarHBondContact O-CG 3.27Å; E356-K360 PolarHBondContact O-N 2.98Å; E356-K360 WeakPolarHBondContact OE1-CE 3.43Å; E356-K360 IonicContact OE1-NZ 3.69Å; E356-K360 PolarHBondContact OE1-NZ 2.65Å; Q357-K360 PolarHBondContact O-N 2.95Å; K360-Q362 VanDerWaalsContact C-N 3.31Å; K360-Q362 PolarHBondContact O-N 2.87Å; K360-Q363 PolarHBondContact O-N 3.39Å; K360-Q363 VanDerWaalsContact O-N 3.13Å; K360-E364 WeakPolarHBondContact O-CB 3.43Å; K360-E364 WeakPolarHBondContact O-CG 3.33Å; K360-E364 PolarHBondContact O-N 3.45Å
361A82.8Confident83.7Confident56 Ų56101.4 Ų101.446%0.46349%0.485SS..Hα-helixtrans-60.5-38.2175.200000112.5Q357 T358 L365Q357-A361 WeakPolarHBondContact O-CB 3.5Å; Q357-A361 PolarHBondContact O-N 3.48Å; T358-A361 PolarHBondContact O-N 2.89Å; A361-L365 WeakPolarHBondContact O-CB 3.28Å; A361-L365 PolarHBondContact O-N 3.34Å
362Q80.6Confident83.4Confident111 Ų11198.5 Ų98.552%0.51948%0.478SS..Hα-helixtrans-64.1-44.2172.3-78.7172.8-11.900112T358 K359 K360 L365 E366T358-Q362 WeakPolarHBondContact O-CB 3.16Å; T358-Q362 VanDerWaalsContact O-CG 3.27Å; T358-Q362 WeakPolarHBondContact O-CG 3.35Å; T358-Q362 PolarHBondContact O-N 2.84Å; K359-Q362 PolarHBondContact O-N 3.22Å; K360-Q362 VanDerWaalsContact C-N 3.31Å; K360-Q362 PolarHBondContact O-N 2.87Å; Q362-L365 PolarHBondContact O-N 2.94Å; Q362-E366 WeakPolarHBondContact O-CB 3.28Å; Q362-E366 WeakPolarHBondContact O-CG 3.48Å; Q362-E366 PolarHBondContact O-N 2.92Å
363Q84.2Confident83.2Confident112 Ų11298.3 Ų98.352%0.52348%0.481SS..Hα-helixtrans-66.5-38.6177.4-74177.7-32.200112.4K359 K360 E367K359-Q363 WeakPolarHBondContact O-CB 3.48Å; K359-Q363 VanDerWaalsContact O-CG 3.29Å; K359-Q363 WeakPolarHBondContact O-CG 3.13Å; K359-Q363 PolarHBondContact O-N 3.22Å; K360-Q363 PolarHBondContact O-N 3.39Å; K360-Q363 VanDerWaalsContact O-N 3.13Å; Q363-E367 WeakPolarHBondContact O-CB 3.48Å; Q363-E367 PolarHBondContact O-N 2.79Å
364E82.2Confident83Confident121 Ų12198.1 Ų98.157%0.56548%0.48SS*.Hα-helixtrans-66.6-40.8173.1-73177.5-171.900111.4K360 E367 Q368K360-E364 WeakPolarHBondContact O-CB 3.43Å; K360-E364 WeakPolarHBondContact O-CG 3.33Å; K360-E364 PolarHBondContact O-N 3.45Å; E364-E367 PolarHBondContact O-N 3.23Å; E364-Q368 WeakPolarHBondContact O-CB 3.29Å; E364-Q368 WeakPolarHBondContact O-CG 3.26Å; E364-Q368 PolarHBondContact O-N 2.79Å
365L79.2Confident82.8Confident76 Ų7696.2 Ų96.240%0.39847%0.471SS..Hα-helixtrans-67.5-41.8175.6-178.563.5000112.2A361 Q362 Q368 T369 V452A361-L365 WeakPolarHBondContact O-CB 3.28Å; A361-L365 PolarHBondContact O-N 3.34Å; Q362-L365 PolarHBondContact O-N 2.94Å; L365-Q368 PolarHBondContact O-N 3.18Å; L365-T369 VanDerWaalsContact O-CB 3.24Å; L365-T369 WeakPolarHBondContact O-CB 3.32Å; L365-T369 PolarHBondContact O-N 2.81Å; L365-T369 PolarHBondContact O-OG1 3.25Å; L365-V452 HydrophobicContact CD1-CG1 3.59Å
366E81.8Confident82.7Confident137 Ų13793.8 Ų93.864%0.6446%0.459SS*.Hα-helixtrans-61.8-42.9172.9-79.8-177.8173.300111.1Q362 T369 R370Q362-E366 WeakPolarHBondContact O-CB 3.28Å; Q362-E366 WeakPolarHBondContact O-CG 3.48Å; Q362-E366 PolarHBondContact O-N 2.92Å; E366-T369 PolarHBondContact O-N 3.31Å; E366-R370 WeakPolarHBondContact O-CB 3.16Å; E366-R370 PolarHBondContact O-N 3.3Å
367E83.9Confident82.5Confident68 Ų6893.4 Ų93.432%0.31846%0.458SS..Hα-helixtrans-68.7-42.5176.3174.8155.7-133.800112.4Q363 E364 T369 R370 R371Q363-E367 WeakPolarHBondContact O-CB 3.48Å; Q363-E367 PolarHBondContact O-N 2.79Å; E364-E367 PolarHBondContact O-N 3.23Å; E367-T369 VanDerWaalsContact C-N 3.31Å; E367-T369 PolarHBondContact O-N 3.2Å; E367-R370 PolarHBondContact O-N 2.97Å; E367-R370 IonicContact OE1-CZ 2.65Å; E367-R370 IonicContact OE1-NH1 2.59Å; E367-R370 IonicContact OE1-NH2 3.09Å; E367-R370 PolarHBondContact OE1-NH2 3.49Å; E367-R371 VanDerWaalsContact CD-CZ 3.42Å; E367-R371 HydrophobicContact CG-CG 4.3Å; E367-R371 WeakPolarHBondContact O-CB 3.1Å; E367-R371 VanDerWaalsContact O-CG 3.27Å; E367-R371 WeakPolarHBondContact O-CG 3.42Å; E367-R371 PolarHBondContact O-N 2.7Å; E367-R371 IonicContact OE1-CZ 2.67Å; E367-R371 IonicContact OE1-NE 3.45Å; E367-R371 PolarHBondContact OE1-NE 3.48Å; E367-R371 IonicContact OE1-NH2 2.74Å; E367-R371 PolarHBondContact OE1-NH2 2.92Å; E367-R371 IonicContact OE2-CZ 2.78Å; E367-R371 IonicContact OE2-NH2 2.68Å; E367-R371 PolarHBondContact OE2-NH2 3.45Å
368Q81.8Confident82.3Confident82 Ų8292.6 Ų92.638%0.38345%0.454SS..Hα-helixtrans-61.2-40.8173.9-74.6173.916.200111.3E364 L365 R371 A372E364-Q368 WeakPolarHBondContact O-CB 3.29Å; E364-Q368 WeakPolarHBondContact O-CG 3.26Å; E364-Q368 PolarHBondContact O-N 2.79Å; L365-Q368 PolarHBondContact O-N 3.18Å; Q368-R371 PolarHBondContact O-N 3.08Å; Q368-A372 WeakPolarHBondContact O-CB 3.46Å; Q368-A372 PolarHBondContact O-N 3.28Å
369T80.5Confident82.3Confident84 Ų8494.5 Ų94.552%0.51545%0.453SS..Hα-helixtrans-65.8-42.7175.7-57.40000111.3L365 E366 E367 A372 L373L365-T369 VanDerWaalsContact O-CB 3.24Å; L365-T369 WeakPolarHBondContact O-CB 3.32Å; L365-T369 PolarHBondContact O-N 2.81Å; L365-T369 PolarHBondContact O-OG1 3.25Å; E366-T369 PolarHBondContact O-N 3.31Å; E367-T369 VanDerWaalsContact C-N 3.31Å; E367-T369 PolarHBondContact O-N 3.2Å; T369-A372 PolarHBondContact O-N 2.66Å; T369-L373 WeakPolarHBondContact O-CB 3.23Å; T369-L373 PolarHBondContact O-N 3.44Å
370R83.8Confident82.1Confident115 Ų11594.3 Ų94.343%0.43445%0.453SS..Hα-helixtrans-62.2-47175.8-166.8-169.872.7-114.3-2.7111.1E366 E367 L373 E374E366-R370 WeakPolarHBondContact O-CB 3.16Å; E366-R370 PolarHBondContact O-N 3.3Å; E367-R370 PolarHBondContact O-N 2.97Å; E367-R370 IonicContact OE1-CZ 2.65Å; E367-R370 IonicContact OE1-NH1 2.59Å; E367-R370 IonicContact OE1-NH2 3.09Å; E367-R370 PolarHBondContact OE1-NH2 3.49Å; R370-L373 PolarHBondContact O-N 3.48Å; R370-E374 WeakPolarHBondContact CD-OE1 3.21Å; R370-E374 WeakPolarHBondContact CG-OE1 3.48Å; R370-E374 IonicContact NE-OE1 2.7Å; R370-E374 PolarHBondContact NE-OE1 2.88Å; R370-E374 VanDerWaalsContact NE-OE1 3.13Å; R370-E374 VanDerWaalsContact O-CG 3.31Å; R370-E374 WeakPolarHBondContact O-CG 3.4Å; R370-E374 PolarHBondContact O-N 3.21Å
371R79.3Confident82Confident122 Ų12297.2 Ų97.246%0.4646%0.461SS..Hα-helixtrans-59.3-48.7174.6-71.1172.1-174.1176.95.9110.5E367 Q368 L373 E374 L375E367-R371 VanDerWaalsContact CD-CZ 3.42Å; E367-R371 HydrophobicContact CG-CG 4.3Å; E367-R371 WeakPolarHBondContact O-CB 3.1Å; E367-R371 VanDerWaalsContact O-CG 3.27Å; E367-R371 WeakPolarHBondContact O-CG 3.42Å; E367-R371 PolarHBondContact O-N 2.7Å; E367-R371 IonicContact OE1-CZ 2.67Å; E367-R371 IonicContact OE1-NE 3.45Å; E367-R371 PolarHBondContact OE1-NE 3.48Å; E367-R371 IonicContact OE1-NH2 2.74Å; E367-R371 PolarHBondContact OE1-NH2 2.92Å; E367-R371 IonicContact OE2-CZ 2.78Å; E367-R371 IonicContact OE2-NH2 2.68Å; E367-R371 PolarHBondContact OE2-NH2 3.45Å; Q368-R371 PolarHBondContact O-N 3.08Å; R371-L373 VanDerWaalsContact C-N 3.28Å; R371-L373 PolarHBondContact O-N 3.15Å; R371-E374 PolarHBondContact O-N 3.3Å; R371-L375 WeakPolarHBondContact O-CB 3.26Å; R371-L375 WeakPolarHBondContact O-CD1 3.44Å; R371-L375 WeakPolarHBondContact O-CG 3.48Å; R371-L375 PolarHBondContact O-N 3.26Å
372A81.2Confident81.7Confident51 Ų5195.4 Ų95.442%0.42145%0.446SS..Hα-helixtrans-57.4-40.2177.200000112.5Q368 T369 L375 E376Q368-A372 WeakPolarHBondContact O-CB 3.46Å; Q368-A372 PolarHBondContact O-N 3.28Å; T369-A372 PolarHBondContact O-N 2.66Å; A372-L375 PolarHBondContact O-N 3.18Å; A372-E376 WeakPolarHBondContact O-CB 3.31Å; A372-E376 PolarHBondContact O-N 3.06Å
373L84.6Confident81.8Confident101 Ų10194.2 Ų94.253%0.52944%0.441SS..Hα-helixtrans-68.5-43.3176.3-171.374.1000112.8T369 R370 R371 L375 E376 Q377T369-L373 WeakPolarHBondContact O-CB 3.23Å; T369-L373 PolarHBondContact O-N 3.44Å; R370-L373 PolarHBondContact O-N 3.48Å; R371-L373 VanDerWaalsContact C-N 3.28Å; R371-L373 PolarHBondContact O-N 3.15Å; L373-L375 VanDerWaalsContact C-N 3.3Å; L373-L375 PolarHBondContact O-N 3.09Å; L373-E376 PolarHBondContact O-N 3.39Å; L373-Q377 WeakPolarHBondContact O-CG 3.36Å; L373-Q377 PolarHBondContact O-N 3.22Å
374E84.1Confident81.6Confident92 Ų9292.4 Ų92.443%0.4344%0.44SS..Hα-helixtrans-57.5-45.5173.8-73.5162.5-176.500110.2R370 R371 Q377 E378R370-E374 WeakPolarHBondContact CD-OE1 3.21Å; R370-E374 WeakPolarHBondContact CG-OE1 3.48Å; R370-E374 IonicContact NE-OE1 2.7Å; R370-E374 PolarHBondContact NE-OE1 2.88Å; R370-E374 VanDerWaalsContact NE-OE1 3.13Å; R370-E374 VanDerWaalsContact O-CG 3.31Å; R370-E374 WeakPolarHBondContact O-CG 3.4Å; R370-E374 PolarHBondContact O-N 3.21Å; R371-E374 PolarHBondContact O-N 3.3Å; E374-Q377 WeakPolarHBondContact O-CB 3.43Å; E374-Q377 PolarHBondContact O-N 3.01Å; E374-E378 PolarHBondContact O-N 2.8Å
375L81.2Confident81.6Confident41 Ų4191.9 Ų91.922%0.21544%0.438CS..Hα-helixtrans-70.6-35.1-179.5-63.9168.8000113R371 A372 L373 Q377 E378 R379 W445R371-L375 WeakPolarHBondContact O-CB 3.26Å; R371-L375 WeakPolarHBondContact O-CD1 3.44Å; R371-L375 WeakPolarHBondContact O-CG 3.48Å; R371-L375 PolarHBondContact O-N 3.26Å; A372-L375 PolarHBondContact O-N 3.18Å; L373-L375 VanDerWaalsContact C-N 3.3Å; L373-L375 PolarHBondContact O-N 3.09Å; L375-Q377 VanDerWaalsContact C-N 3.34Å; L375-E378 PolarHBondContact O-N 2.93Å; L375-R379 WeakPolarHBondContact O-CB 3.43Å; L375-R379 PolarHBondContact O-N 3.01Å; L375-W445 HydrophobicContact CB-CD2 4.42Å; L375-W445 HydrophobicContact CB-CE3 4.33Å; L375-W445 HydrophobicContact CD1-CD2 4.38Å; L375-W445 HydrophobicContact CD1-CE3 3.51Å; L375-W445 HydrophobicContact CD1-CH2 4.34Å; L375-W445 HydrophobicContact CD1-CZ3 3.48Å; L375-W445 VanDerWaalsContact CD1-CZ3 3.48Å; L375-W445 HydrophobicContact CD2-CD2 3.82Å; L375-W445 HydrophobicContact CD2-CE3 3.59Å; L375-W445 HydrophobicContact CD2-CH2 3.34Å; L375-W445 HydrophobicContact CD2-CZ2 3.55Å; L375-W445 HydrophobicContact CD2-CZ3 3.35Å; L375-W445 HydrophobicContact CG-CD2 4.41Å; L375-W445 HydrophobicContact CG-CE3 3.98Å; L375-W445 HydrophobicContact CG-CH2 4.43Å; L375-W445 HydrophobicContact CG-CZ3 3.99Å
376E82Confident81.6Confident87 Ų8789.4 Ų89.441%0.40743%0.428SS..Hα-helixtrans-68.5-34.2171.5-158.9-166.8140.300111.7A372 L373 R379 K380A372-E376 WeakPolarHBondContact O-CB 3.31Å; A372-E376 PolarHBondContact O-N 3.06Å; L373-E376 PolarHBondContact O-N 3.39Å; E376-R379 PolarHBondContact O-N 3.01Å; E376-K380 HydrophobicContact CG-CD 4.5Å; E376-K380 WeakPolarHBondContact O-CB 3.3Å; E376-K380 WeakPolarHBondContact O-CG 3.38Å; E376-K380 PolarHBondContact O-N 3.3Å; E376-K380 WeakPolarHBondContact OE1-CE 3.3Å; E376-K380 IonicContact OE1-NZ 2.85Å; E376-K380 PolarHBondContact OE1-NZ 3.44Å
377Q83.8Confident81.6Confident92 Ų9288.2 Ų88.243%0.4342%0.423SS..Hα-helixtrans-65.7-43.2171.7-73.3-176.842.900111.9L373 E374 L375 K380 R381L373-Q377 WeakPolarHBondContact O-CG 3.36Å; L373-Q377 PolarHBondContact O-N 3.22Å; E374-Q377 WeakPolarHBondContact O-CB 3.43Å; E374-Q377 PolarHBondContact O-N 3.01Å; L375-Q377 VanDerWaalsContact C-N 3.34Å; Q377-K380 PolarHBondContact O-N 3.33Å; Q377-R381 WeakPolarHBondContact O-CG 3.49Å; Q377-R381 PolarHBondContact O-N 3.07Å
378E80.5Confident81.5Confident108 Ų10891 Ų9151%0.50543%0.434SS..Hα-helixtrans-62.2-43.3173.4-70.2-162.6144.300111.6E374 L375 K380 R381 A382E374-E378 PolarHBondContact O-N 2.8Å; L375-E378 PolarHBondContact O-N 2.93Å; E378-K380 VanDerWaalsContact C-N 3.32Å; E378-K380 PolarHBondContact O-N 2.95Å; E378-R381 PolarHBondContact O-N 2.75Å; E378-A382 WeakPolarHBondContact O-CB 3.41Å; E378-A382 PolarHBondContact O-N 3.16Å
379R81Confident81.5Confident106 Ų10690.2 Ų90.240%0.443%0.432SS..Hα-helixtrans-59.3-41.7175.2-154.3-160.487.8-177.26.9112L375 E376 Q383 A442L375-R379 WeakPolarHBondContact O-CB 3.43Å; L375-R379 PolarHBondContact O-N 3.01Å; E376-R379 PolarHBondContact O-N 3.01Å; R379-Q383 VanDerWaalsContact O-CB 3.26Å; R379-Q383 WeakPolarHBondContact O-CB 3.29Å; R379-Q383 PolarHBondContact O-N 3.04Å; R379-A442 HydrophobicContact CG-CB 4.39Å
380K81.4Confident81.5Confident117 Ų11788.8 Ų88.851%0.50943%0.429SS..Hα-helixtrans-67-37.5176.7-79.2167.3170.7165.80112.7E376 Q377 E378 S384E376-K380 HydrophobicContact CG-CD 4.5Å; E376-K380 WeakPolarHBondContact O-CB 3.3Å; E376-K380 WeakPolarHBondContact O-CG 3.38Å; E376-K380 PolarHBondContact O-N 3.3Å; E376-K380 WeakPolarHBondContact OE1-CE 3.3Å; E376-K380 IonicContact OE1-NZ 2.85Å; E376-K380 PolarHBondContact OE1-NZ 3.44Å; Q377-K380 PolarHBondContact O-N 3.33Å; E378-K380 VanDerWaalsContact C-N 3.32Å; E378-K380 PolarHBondContact O-N 2.95Å; K380-S384 WeakPolarHBondContact O-CB 3.39Å; K380-S384 PolarHBondContact O-N 3.08Å
381R81.3Confident81.4Confident162 Ų16289.2 Ų89.261%0.61143%0.434SS*.Hα-helixtrans-65-50.7172.8-69.2175.4-164.2-1768.7111Q377 E378 Q383 S384 E385Q377-R381 WeakPolarHBondContact O-CG 3.49Å; Q377-R381 PolarHBondContact O-N 3.07Å; E378-R381 PolarHBondContact O-N 2.75Å; R381-Q383 VanDerWaalsContact C-N 3.3Å; R381-Q383 PolarHBondContact O-N 3.06Å; R381-S384 PolarHBondContact O-N 3.03Å; R381-S384 VanDerWaalsContact O-N 3.16Å; R381-E385 WeakPolarHBondContact O-CG 3.48Å; R381-E385 PolarHBondContact O-N 3.34Å
382A78.5Confident81.6Confident19 Ų1987.2 Ų87.216%0.15743%0.429CS..Hα-helixtrans-60.2-38178.100000112.7E378 A386 K438E378-A382 WeakPolarHBondContact O-CB 3.41Å; E378-A382 PolarHBondContact O-N 3.16Å; A382-A386 WeakPolarHBondContact O-CB 3.37Å; A382-A386 PolarHBondContact O-N 3.48Å; A382-K438 HydrophobicContact CB-CD 4.22Å
383Q80.8Confident81.5Confident86 Ų8687.6 Ų87.640%0.40242%0.42SS..Hα-helixtrans-64.8-47.2173.5-178.4178.5-20.200111.6R379 R381 E385 A386 E387R379-Q383 VanDerWaalsContact O-CB 3.26Å; R379-Q383 WeakPolarHBondContact O-CB 3.29Å; R379-Q383 PolarHBondContact O-N 3.04Å; R381-Q383 VanDerWaalsContact C-N 3.3Å; R381-Q383 PolarHBondContact O-N 3.06Å; Q383-E385 VanDerWaalsContact C-N 3.35Å; Q383-E385 PolarHBondContact O-N 3.37Å; Q383-A386 PolarHBondContact O-N 3.24Å; Q383-A386 VanDerWaalsContact O-N 3.16Å; Q383-E387 HydrophobicContact CG-CG 4.48Å; Q383-E387 VanDerWaalsContact CG-OE1 3.3Å; Q383-E387 WeakPolarHBondContact CG-OE1 3.5Å; Q383-E387 PolarHBondContact NE2-OE1 3.19Å; Q383-E387 WeakPolarHBondContact O-CG 2.88Å; Q383-E387 PolarHBondContact O-N 3.43Å
384S82Confident81.4Confident74 Ų7488.1 Ų88.152%0.51742%0.42SS..Hα-helixtrans-63.2-38.1178.2-171.80000112.6K380 R381 K388K380-S384 WeakPolarHBondContact O-CB 3.39Å; K380-S384 PolarHBondContact O-N 3.08Å; R381-S384 PolarHBondContact O-N 3.03Å; R381-S384 VanDerWaalsContact O-N 3.16Å; S384-K388 WeakPolarHBondContact O-CB 3.5Å; S384-K388 PolarHBondContact O-N 3.37Å
385E80.7Confident81.3Confident109 Ų10988.5 Ų88.551%0.50942%0.421SS..Hα-helixtrans-63.5-44.2170.7-72.4-178.4154.500112R381 Q383 K388 L389R381-E385 WeakPolarHBondContact O-CG 3.48Å; R381-E385 PolarHBondContact O-N 3.34Å; Q383-E385 VanDerWaalsContact C-N 3.35Å; Q383-E385 PolarHBondContact O-N 3.37Å; E385-K388 PolarHBondContact O-N 2.9Å; E385-L389 WeakPolarHBondContact O-CB 3.49Å; E385-L389 WeakPolarHBondContact O-CD1 3.42Å; E385-L389 VanDerWaalsContact O-CG 3.27Å; E385-L389 WeakPolarHBondContact O-CG 3.28Å; E385-L389 PolarHBondContact O-N 3.4Å
386A79.4Confident81.2Confident24 Ų2487.7 Ų87.720%0.19842%0.421CS..Hα-helixtrans-65.9-39.9178.400000112.7A382 Q383 L389 A390A382-A386 WeakPolarHBondContact O-CB 3.37Å; A382-A386 PolarHBondContact O-N 3.48Å; Q383-A386 PolarHBondContact O-N 3.24Å; Q383-A386 VanDerWaalsContact O-N 3.16Å; A386-L389 PolarHBondContact O-N 3.09Å; A386-A390 VanDerWaalsContact O-CB 3.32Å; A386-A390 WeakPolarHBondContact O-CB 3.33Å; A386-A390 PolarHBondContact O-N 3.22Å
387E81.3Confident81Confident112 Ų11286.9 Ų86.952%0.52342%0.417SS..Hα-helixtrans-63.9-41.1173.9-73.9170.1-169.500111.4Q383 A390 K391Q383-E387 HydrophobicContact CG-CG 4.48Å; Q383-E387 VanDerWaalsContact CG-OE1 3.3Å; Q383-E387 WeakPolarHBondContact CG-OE1 3.5Å; Q383-E387 PolarHBondContact NE2-OE1 3.19Å; Q383-E387 WeakPolarHBondContact O-CG 2.88Å; Q383-E387 PolarHBondContact O-N 3.43Å; E387-A390 PolarHBondContact O-N 3.49Å; E387-K391 PolarHBondContact O-N 2.92Å
388K83.4Confident80.8Confident128 Ų12887.8 Ų87.856%0.55742%0.421SS*.Hα-helixtrans-63.9-45.6174.2-176.3174.9-179-68.60112.2S384 E385 A390 K391 E392S384-K388 WeakPolarHBondContact O-CB 3.5Å; S384-K388 PolarHBondContact O-N 3.37Å; E385-K388 PolarHBondContact O-N 2.9Å; K388-A390 VanDerWaalsContact C-N 3.32Å; K388-A390 PolarHBondContact O-N 2.93Å; K388-K391 PolarHBondContact O-N 2.79Å; K388-E392 IonicContact NZ-OE1 2.6Å; K388-E392 PolarHBondContact NZ-OE1 3.06Å; K388-E392 PolarHBondContact O-N 2.9Å
389L80.9Confident80.8Confident65 Ų6585.2 Ų85.234%0.3442%0.418SS..Hα-helixtrans-65-34.6176.5-72.3163.8000112.3E385 A386 R393 L431E385-L389 WeakPolarHBondContact O-CB 3.49Å; E385-L389 WeakPolarHBondContact O-CD1 3.42Å; E385-L389 VanDerWaalsContact O-CG 3.27Å; E385-L389 WeakPolarHBondContact O-CG 3.28Å; E385-L389 PolarHBondContact O-N 3.4Å; A386-L389 PolarHBondContact O-N 3.09Å; L389-R393 WeakPolarHBondContact O-CB 3.46Å; L389-R393 PolarHBondContact O-N 2.88Å; L389-L431 HydrophobicContact CB-CD2 4.48Å; L389-L431 HydrophobicContact CD2-CD2 3.66Å
390A80.6Confident80.6Confident54 Ų5481.8 Ų81.845%0.44641%0.407SS..Hα-helixtrans-67.7-39.2173.700000112A386 E387 K388 R393 Q394A386-A390 VanDerWaalsContact O-CB 3.32Å; A386-A390 WeakPolarHBondContact O-CB 3.33Å; A386-A390 PolarHBondContact O-N 3.22Å; E387-A390 PolarHBondContact O-N 3.49Å; K388-A390 VanDerWaalsContact C-N 3.32Å; K388-A390 PolarHBondContact O-N 2.93Å; A390-R393 WeakPolarHBondContact O-CB 3.42Å; A390-R393 PolarHBondContact O-N 3.31Å; A390-Q394 PolarHBondContact O-N 3.41Å
391K81.6Confident80.3Confident124 Ų12482.8 Ų82.854%0.53941%0.413SS..Hα-helixtrans-67.4-43.2174.8-169.6171.1-174.8-70.30112.2E387 K388 R393 Q394 E395E387-K391 PolarHBondContact O-N 2.92Å; K388-K391 PolarHBondContact O-N 2.79Å; K391-R393 VanDerWaalsContact C-N 3.29Å; K391-R393 PolarHBondContact O-N 3.38Å; K391-Q394 PolarHBondContact O-N 2.92Å; K391-E395 IonicContact NZ-OE1 3.73Å; K391-E395 PolarHBondContact NZ-OE1 2.81Å; K391-E395 WeakPolarHBondContact O-CG 3.36Å; K391-E395 PolarHBondContact O-N 3.08Å
392E82.7Confident80Confident79 Ų7977.8 Ų77.837%0.36941%0.407SS..Hα-helixtrans-62.2-34.8172.6-74.8174.9-162.300112.2K388 A396K388-E392 IonicContact NZ-OE1 2.6Å; K388-E392 PolarHBondContact NZ-OE1 3.06Å; K388-E392 PolarHBondContact O-N 2.9Å; E392-A396 WeakPolarHBondContact O-CB 3.38Å; E392-A396 PolarHBondContact O-N 2.91Å; E392-A396 VanDerWaalsContact O-N 3.08Å
393R80.5Confident79.6Confident60 Ų6079.3 Ų79.323%0.22641%0.412CS..Hα-helixtrans-63.9-48.6170.4179.6-174.1167.3154.94111.5L389 A390 K391 E395 A396 E397 L431 E432L389-R393 WeakPolarHBondContact O-CB 3.46Å; L389-R393 PolarHBondContact O-N 2.88Å; A390-R393 WeakPolarHBondContact O-CB 3.42Å; A390-R393 PolarHBondContact O-N 3.31Å; K391-R393 VanDerWaalsContact C-N 3.29Å; K391-R393 PolarHBondContact O-N 3.38Å; R393-E395 VanDerWaalsContact C-N 3.35Å; R393-E395 PolarHBondContact O-N 3.21Å; R393-A396 CarbonylContact O-C 3.58Å; R393-A396 WeakPolarHBondContact O-CB 3.22Å; R393-A396 PolarHBondContact O-N 2.84Å; R393-A396 VanDerWaalsContact O-N 3.13Å; R393-E397 HydrophobicContact CG-CG 4.43Å; R393-E397 IonicContact CZ-OE1 3.27Å; R393-E397 VanDerWaalsContact CZ-OE1 3.27Å; R393-E397 IonicContact CZ-OE2 3.97Å; R393-E397 VanDerWaalsContact NE-CD 3.32Å; R393-E397 IonicContact NE-OE1 2.95Å; R393-E397 PolarHBondContact NE-OE1 2.66Å; R393-E397 IonicContact NE-OE2 3.17Å; R393-E397 PolarHBondContact NE-OE2 2.59Å; R393-E397 IonicContact NH2-OE1 2.76Å; R393-E397 PolarHBondContact NH2-OE1 2.73Å; R393-E397 IonicContact NH2-OE2 3.88Å; R393-E397 PolarHBondContact O-N 3Å; R393-L431 HydrophobicContact CB-CD1 4.09Å; R393-E432 IonicContact CZ-OE1 3.65Å; R393-E432 IonicContact NH1-OE1 2.7Å; R393-E432 PolarHBondContact NH1-OE1 2.84Å; R393-E432 IonicContact NH2-OE1 3.73Å
394Q82.1Confident79Confident112 Ų11278.5 Ų78.552%0.52341%0.41SS..Hα-helixtrans-60.9-45.6-179.2-178.2-179.8-19.500110.9A390 K391 A396 E397 E398A390-Q394 PolarHBondContact O-N 3.41Å; K391-Q394 PolarHBondContact O-N 2.92Å; Q394-A396 VanDerWaalsContact C-N 3.25Å; Q394-A396 PolarHBondContact O-N 2.66Å; Q394-E397 PolarHBondContact O-N 2.71Å; Q394-E397 VanDerWaalsContact O-N 3.14Å; Q394-E398 HydrophobicContact CG-CG 4.38Å; Q394-E398 WeakPolarHBondContact CG-OE1 3.23Å; Q394-E398 PolarHBondContact NE2-OE1 2.92Å; Q394-E398 WeakPolarHBondContact O-CB 3.42Å; Q394-E398 WeakPolarHBondContact O-CG 3.43Å; Q394-E398 PolarHBondContact O-N 3.35Å
395E82.1Confident78.2Confident99 Ų9980.7 Ų80.746%0.46341%0.412SS..Hα-helixtrans-60.3-35.2175.5-71.7171.2-176.400112K391 R393 A399K391-E395 IonicContact NZ-OE1 3.73Å; K391-E395 PolarHBondContact NZ-OE1 2.81Å; K391-E395 WeakPolarHBondContact O-CG 3.36Å; K391-E395 PolarHBondContact O-N 3.08Å; R393-E395 VanDerWaalsContact C-N 3.35Å; R393-E395 PolarHBondContact O-N 3.21Å; E395-A399 WeakPolarHBondContact O-CB 3.3Å; E395-A399 PolarHBondContact O-N 2.82Å
396A78.6Confident77.5Confident25 Ų2578.2 Ų78.221%0.20741%0.41CS..Hα-helixtrans-74.1-33.617400000113.8E392 R393 Q394 K400 L424E392-A396 WeakPolarHBondContact O-CB 3.38Å; E392-A396 PolarHBondContact O-N 2.91Å; E392-A396 VanDerWaalsContact O-N 3.08Å; R393-A396 CarbonylContact O-C 3.58Å; R393-A396 WeakPolarHBondContact O-CB 3.22Å; R393-A396 PolarHBondContact O-N 2.84Å; R393-A396 VanDerWaalsContact O-N 3.13Å; Q394-A396 VanDerWaalsContact C-N 3.25Å; Q394-A396 PolarHBondContact O-N 2.66Å; A396-K400 WeakPolarHBondContact O-CB 3.45Å; A396-K400 PolarHBondContact O-N 3.03Å; A396-L424 HydrophobicContact CB-CD2 4.4Å
397E78.2Confident76.5Confident69 Ų6979.7 Ų79.732%0.32242%0.419SS..Hα-helixtrans-72.4-41174.4-78.9175.215900111.3R393 Q394 K400 E401 I428R393-E397 HydrophobicContact CG-CG 4.43Å; R393-E397 IonicContact CZ-OE1 3.27Å; R393-E397 VanDerWaalsContact CZ-OE1 3.27Å; R393-E397 IonicContact CZ-OE2 3.97Å; R393-E397 VanDerWaalsContact NE-CD 3.32Å; R393-E397 IonicContact NE-OE1 2.95Å; R393-E397 PolarHBondContact NE-OE1 2.66Å; R393-E397 IonicContact NE-OE2 3.17Å; R393-E397 PolarHBondContact NE-OE2 2.59Å; R393-E397 IonicContact NH2-OE1 2.76Å; R393-E397 PolarHBondContact NH2-OE1 2.73Å; R393-E397 IonicContact NH2-OE2 3.88Å; R393-E397 PolarHBondContact O-N 3Å; Q394-E397 PolarHBondContact O-N 2.71Å; Q394-E397 VanDerWaalsContact O-N 3.14Å; E397-K400 WeakPolarHBondContact O-CB 3.26Å; E397-K400 PolarHBondContact O-N 3.35Å; E397-E401 WeakPolarHBondContact O-CB 3.3Å; E397-E401 PolarHBondContact O-N 3.49Å; E397-I428 HydrophobicContact CG-CD1 3.76Å; E397-I428 HydrophobicContact CG-CG1 4.33Å
398E80.4Confident75.2Confident111 Ų11184 Ų8452%0.51943%0.43SS..Hα-helixtrans-63.3-43.9172-72.6176.9-166.200111.6Q394 K400 E401 A402Q394-E398 HydrophobicContact CG-CG 4.38Å; Q394-E398 WeakPolarHBondContact CG-OE1 3.23Å; Q394-E398 PolarHBondContact NE2-OE1 2.92Å; Q394-E398 WeakPolarHBondContact O-CB 3.42Å; Q394-E398 WeakPolarHBondContact O-CG 3.43Å; Q394-E398 PolarHBondContact O-N 3.35Å; E398-K400 VanDerWaalsContact C-N 3.34Å; E398-K400 PolarHBondContact O-N 2.85Å; E398-E401 PolarHBondContact O-N 2.77Å; E398-A402 WeakPolarHBondContact O-CB 3.48Å; E398-A402 PolarHBondContact O-N 2.73Å
399A78.7Confident73.7Confident54 Ų5484.7 Ų84.745%0.44644%0.44SS..Hα-helixtrans-61.8-41.217400000112.1E395 A402 L403E395-A399 WeakPolarHBondContact O-CB 3.3Å; E395-A399 PolarHBondContact O-N 2.82Å; A399-A402 PolarHBondContact O-N 3.21Å; A399-L403 WeakPolarHBondContact O-CB 3.42Å; A399-L403 PolarHBondContact O-N 2.84Å
400K78.5Confident71.9Confident35 Ų3589.3 Ų89.315%0.15246%0.46CS..Hα-helixtrans-63-43.5176.3-172.3-179.2-171.6176.20112.1A396 E397 E398 L403 L404 M421 L424 T425 I428A396-K400 WeakPolarHBondContact O-CB 3.45Å; A396-K400 PolarHBondContact O-N 3.03Å; E397-K400 WeakPolarHBondContact O-CB 3.26Å; E397-K400 PolarHBondContact O-N 3.35Å; E398-K400 VanDerWaalsContact C-N 3.34Å; E398-K400 PolarHBondContact O-N 2.85Å; K400-L403 PolarHBondContact O-N 3.09Å; K400-L404 WeakPolarHBondContact O-CB 3.46Å; K400-L404 PolarHBondContact O-N 3.18Å; K400-M421 HydrophobicContact CD-SD 4.13Å; K400-M421 WeakPolarHBondContact CE-SD 3.44Å; K400-M421 HydrophobicContact CG-CE 4.43Å; K400-M421 HydrophobicContact CG-SD 3.52Å; K400-M421 VanDerWaalsContact CG-SD 3.52Å; K400-L424 HydrophobicContact CB-CD1 4Å; K400-L424 HydrophobicContact CD-CB 4.17Å; K400-L424 HydrophobicContact CD-CD1 4.48Å; K400-L424 HydrophobicContact CG-CD1 3.97Å; K400-T425 PolarHBondContact NZ-OG1 3.48Å; K400-I428 HydrophobicContact CD-CD1 4.36Å
401E75Confident70.2Confident137 Ų13796.3 Ų96.364%0.6448%0.48SS*.Hα-helixtrans-70.8-38.3179.1-171.2149.4-136.700111.6E397 E398 L403 L404 Q405E397-E401 WeakPolarHBondContact O-CB 3.3Å; E397-E401 PolarHBondContact O-N 3.49Å; E398-E401 PolarHBondContact O-N 2.77Å; E401-L403 PolarHBondContact O-N 3.38Å; E401-L404 PolarHBondContact O-N 3.39Å; E401-Q405 WeakPolarHBondContact O-CB 3.27Å; E401-Q405 PolarHBondContact O-N 2.86Å
402A74.7Confident68.3Low58 Ų5899.6 Ų99.648%0.47950%0.495SS..Hα-helixtrans-60.9-41.1170.700000112.6E398 A399 Q405 A406E398-A402 WeakPolarHBondContact O-CB 3.48Å; E398-A402 PolarHBondContact O-N 2.73Å; A399-A402 PolarHBondContact O-N 3.21Å; A402-Q405 PolarHBondContact O-N 3.39Å; A402-A406 WeakPolarHBondContact O-CB 3.14Å; A402-A406 PolarHBondContact O-N 3.21Å
403L70Confident67Low51 Ų51100.4 Ų100.427%0.26751%0.505SS..Hα-helixtrans-63.5-42.6174-119.6162.6000111.9A399 K400 E401 Q405 A406 S407 L417 E420A399-L403 WeakPolarHBondContact O-CB 3.42Å; A399-L403 PolarHBondContact O-N 2.84Å; K400-L403 PolarHBondContact O-N 3.09Å; E401-L403 PolarHBondContact O-N 3.38Å; L403-Q405 VanDerWaalsContact C-N 3.34Å; L403-A406 PolarHBondContact O-N 3.49Å; L403-S407 WeakPolarHBondContact O-CB 3.31Å; L403-S407 PolarHBondContact O-N 3.46Å; L403-L417 HydrophobicContact CD2-CD1 3.92Å; L403-L417 HydrophobicContact CD2-CD2 4.44Å; L403-L417 HydrophobicContact CD2-CG 4.04Å; L403-E420 HydrophobicContact CD1-CG 4.21Å; L403-E420 WeakPolarHBondContact CD1-OE2 3.49Å
404L67.6Low65.7Low68 Ų68106 Ų10636%0.35653%0.534SS..Hα-helixtrans-68.7-33.3178.1-166.3147.5000112K400 E401 R408 M421K400-L404 WeakPolarHBondContact O-CB 3.46Å; K400-L404 PolarHBondContact O-N 3.18Å; E401-L404 PolarHBondContact O-N 3.39Å; L404-R408 PolarHBondContact O-N 3.36Å; L404-M421 HydrophobicContact CD1-CE 3.74Å; L404-M421 HydrophobicContact CD1-SD 4.45Å
405Q66.1Low64.5Low121 Ų121108.4 Ų108.457%0.56555%0.545SS*.Hα-helixtrans-72.3-44.5173.7-169163.5-4.100111.6E401 A402 L403 S407 R408 D409E401-Q405 WeakPolarHBondContact O-CB 3.27Å; E401-Q405 PolarHBondContact O-N 2.86Å; A402-Q405 PolarHBondContact O-N 3.39Å; L403-Q405 VanDerWaalsContact C-N 3.34Å; Q405-S407 VanDerWaalsContact C-N 3.25Å; Q405-S407 PolarHBondContact O-N 3.42Å; Q405-R408 WeakPolarHBondContact O-CB 3.35Å; Q405-R408 PolarHBondContact O-N 3.32Å; Q405-D409 PolarHBondContact O-N 2.85Å
406A65Low63.5Low57 Ų57110.8 Ų110.847%0.47156%0.556SS.*Hα-helixtrans-58.4-37.917100000112.2A402 L403 R408 D409 Q410A402-A406 WeakPolarHBondContact O-CB 3.14Å; A402-A406 PolarHBondContact O-N 3.21Å; L403-A406 PolarHBondContact O-N 3.49Å; A406-R408 VanDerWaalsContact C-N 3.26Å; A406-R408 PolarHBondContact O-N 3.49Å; A406-D409 PolarHBondContact O-N 2.95Å; A406-Q410 PolarHBondContact O-N 3.39Å
407S58.3Low62.5Low55 Ų55111.8 Ų111.839%0.38556%0.557SS.*Hα-helixtrans-67.5-18.7174.5-175.40000114.2L403 Q405L403-S407 WeakPolarHBondContact O-CB 3.31Å; L403-S407 PolarHBondContact O-N 3.46Å; Q405-S407 VanDerWaalsContact C-N 3.25Å; Q405-S407 PolarHBondContact O-N 3.42Å
408R55.2Low62Low203 Ų203111.5 Ų111.577%0.76657%0.567SS**Hα-helixtrans-77.2-36.5171.3-78.3178.5167.4161.8-0.9111.8L404 Q405 A406L404-R408 PolarHBondContact O-N 3.36Å; Q405-R408 WeakPolarHBondContact O-CB 3.35Å; Q405-R408 PolarHBondContact O-N 3.32Å; A406-R408 VanDerWaalsContact C-N 3.26Å; A406-R408 PolarHBondContact O-N 3.49Å
409D51.1Low61.4Low142 Ų142112.6 Ų112.676%0.75958%0.576SS**Hα-helixtrans-84.4-25.1-176.7-68.5-25.5000113.2Q405 A406Q405-D409 PolarHBondContact O-N 2.85Å; A406-D409 PolarHBondContact O-N 2.95Å
410Q43.9Very low61.1Low162 Ų162114.3 Ų114.376%0.75757%0.574SS**  trans-110.4101.2-176.9-127.1179.737.400114.6A406 K412A406-Q410 PolarHBondContact O-N 3.39Å; Q410-K412 PolarHBondContact O-N 2.95Å
411K43.9Very low60.7Low201 Ų201115 Ų11587%0.87458%0.579SS**  trans-70.685.3170.7-72.5-177.3176.7177.40112.4
412K41Very low60.8Low193 Ų193111.2 Ų111.284%0.83957%0.571SS**SBendtrans-168.5144.2152.9-107.5152.4-172.7-179.70113.8Q410Q410-K412 PolarHBondContact O-N 2.95Å
413T56Low61.1Low95 Ų95115 Ų11558%0.58358%0.579SS**  trans6278.6164-36.80000116.8E415T413-E415 PolarHBondContact O-N 3.33Å
414Q53.7Low61.4Low178 Ų178114.3 Ų114.383%0.83258%0.575SS**Hα-helixtrans-69.9-17.3-173.1-171.6172.8-700116.1
415E56.9Low62Low163 Ų163114.6 Ų114.676%0.76258%0.579SS**Hα-helixtrans-83.7-37.3-166.2-64.8-179.7139.100114.7T413 L417 A418T413-E415 PolarHBondContact O-N 3.33Å; E415-L417 VanDerWaalsContact C-N 3.34Å; E415-L417 PolarHBondContact O-N 3.45Å; E415-A418 PolarHBondContact O-N 2.74Å
416Q60Low62.7Low149 Ų149111.3 Ų111.370%0.69657%0.573SS**Hα-helixtrans-64.5-41.5179.7-69.7-178.1-65.100111.4A418 L419 E420Q416-A418 PolarHBondContact O-N 3.29Å; Q416-L419 PolarHBondContact O-N 2.87Å; Q416-E420 PolarHBondContact O-N 3.03Å
417L57.9Low63.5Low45 Ų45115.5 Ų115.524%0.23658%0.577CS.*Hα-helixtrans-61.5-30.8178.7-128.2122.7000112.6L403 E415 M421L403-L417 HydrophobicContact CD2-CD1 3.92Å; L403-L417 HydrophobicContact CD2-CD2 4.44Å; L403-L417 HydrophobicContact CD2-CG 4.04Å; E415-L417 VanDerWaalsContact C-N 3.34Å; E415-L417 PolarHBondContact O-N 3.45Å; L417-M421 HydrophobicContact CD2-CG 4.4Å; L417-M421 WeakPolarHBondContact O-CB 3.44Å; L417-M421 WeakPolarHBondContact O-CG 3.17Å; L417-M421 PolarHBondContact O-N 2.82Å
418A67.4Low64.4Low63 Ų63113.9 Ų113.952%0.52156%0.563SS.*Hα-helixtrans-70.5-36.7178.600000112.6E415 Q416 A422E415-A418 PolarHBondContact O-N 2.74Å; Q416-A418 PolarHBondContact O-N 3.29Å; A418-A422 WeakPolarHBondContact O-CB 3.48Å; A418-A422 PolarHBondContact O-N 2.83Å
419L69.4Low65.7Low134 Ų134107 Ų10770%0.70255%0.547SS*.Hα-helixtrans-68.2-47.3174.8-100.1162.3000111.5Q416 M421 A422 E423Q416-L419 PolarHBondContact O-N 2.87Å; L419-M421 PolarHBondContact O-N 2.66Å; L419-A422 WeakPolarHBondContact O-CB 3.33Å; L419-A422 PolarHBondContact O-N 3.21Å; L419-A422 VanDerWaalsContact O-N 3.11Å; L419-E423 PolarHBondContact O-N 3.25Å
420E70.7Confident67.2Low90 Ų90106 Ų10642%0.42154%0.537SS..Hα-helixtrans-62.9-42.5178.9-165.6167.1-137.400111.5L403 Q416 A422 E423 L424L403-E420 HydrophobicContact CD1-CG 4.21Å; L403-E420 WeakPolarHBondContact CD1-OE2 3.49Å; Q416-E420 PolarHBondContact O-N 3.03Å; E420-A422 VanDerWaalsContact C-N 3.33Å; E420-A422 PolarHBondContact O-N 3.39Å; E420-E423 PolarHBondContact O-N 3.4Å; E420-L424 HydrophobicContact CG-CD1 4.37Å; E420-L424 WeakPolarHBondContact O-CB 3.32Å; E420-L424 WeakPolarHBondContact O-CD1 3.5Å; E420-L424 VanDerWaalsContact O-CG 3.3Å; E420-L424 WeakPolarHBondContact O-CG 3.5Å; E420-L424 PolarHBondContact O-N 3.1Å
421M70.2Confident69Low51 Ų5199.8 Ų99.825%0.25151%0.509SS..Hα-helixtrans-62.4-35.3171.7-76.5-75.4-71.500113.3K400 L404 L417 L419 T425K400-M421 HydrophobicContact CD-SD 4.13Å; K400-M421 WeakPolarHBondContact CE-SD 3.44Å; K400-M421 HydrophobicContact CG-CE 4.43Å; K400-M421 HydrophobicContact CG-SD 3.52Å; K400-M421 VanDerWaalsContact CG-SD 3.52Å; L404-M421 HydrophobicContact CD1-CE 3.74Å; L404-M421 HydrophobicContact CD1-SD 4.45Å; L417-M421 HydrophobicContact CD2-CG 4.4Å; L417-M421 WeakPolarHBondContact O-CB 3.44Å; L417-M421 WeakPolarHBondContact O-CG 3.17Å; L417-M421 PolarHBondContact O-N 2.82Å; L419-M421 PolarHBondContact O-N 2.66Å; M421-T425 WeakPolarHBondContact O-CB 3.47Å; M421-T425 PolarHBondContact O-N 2.78Å; M421-T425 VanDerWaalsContact O-N 3.08Å; M421-T425 PolarHBondContact O-OG1 2.97Å
422A78.2Confident70.7Confident56 Ų5694.2 Ų94.246%0.46349%0.486SS..Hα-helixtrans-71.4-43.4176.300000111.6A418 L419 E420 T425 A426A418-A422 WeakPolarHBondContact O-CB 3.48Å; A418-A422 PolarHBondContact O-N 2.83Å; L419-A422 WeakPolarHBondContact O-CB 3.33Å; L419-A422 PolarHBondContact O-N 3.21Å; L419-A422 VanDerWaalsContact O-N 3.11Å; E420-A422 VanDerWaalsContact C-N 3.33Å; E420-A422 PolarHBondContact O-N 3.39Å; A422-T425 PolarHBondContact O-N 2.95Å; A422-A426 PolarHBondContact O-N 3.46Å
423E80.2Confident72.5Confident138 Ų13890.7 Ų90.765%0.64547%0.474SS*.Hα-helixtrans-61.2-48175.2-176.6170.9178.600111.4L419 E420 T425 A426 R427L419-E423 PolarHBondContact O-N 3.25Å; E420-E423 PolarHBondContact O-N 3.4Å; E423-T425 VanDerWaalsContact C-N 3.26Å; E423-T425 PolarHBondContact O-N 3.14Å; E423-A426 PolarHBondContact O-N 2.89Å; E423-R427 WeakPolarHBondContact O-CB 3.41Å; E423-R427 PolarHBondContact O-N 3.45Å
424L76.2Confident73.8Confident37 Ų3788.3 Ų88.319%0.19446%0.464CS..Hα-helixtrans-59.3-36.9174.9-72.2164.5000112.1A396 K400 E420 R427 I428A396-L424 HydrophobicContact CB-CD2 4.4Å; K400-L424 HydrophobicContact CB-CD1 4Å; K400-L424 HydrophobicContact CD-CB 4.17Å; K400-L424 HydrophobicContact CD-CD1 4.48Å; K400-L424 HydrophobicContact CG-CD1 3.97Å; E420-L424 HydrophobicContact CG-CD1 4.37Å; E420-L424 WeakPolarHBondContact O-CB 3.32Å; E420-L424 WeakPolarHBondContact O-CD1 3.5Å; E420-L424 VanDerWaalsContact O-CG 3.3Å; E420-L424 WeakPolarHBondContact O-CG 3.5Å; E420-L424 PolarHBondContact O-N 3.1Å; L424-R427 PolarHBondContact O-N 3.4Å; L424-I428 WeakPolarHBondContact O-CD1 3Å; L424-I428 VanDerWaalsContact O-CG1 3.25Å; L424-I428 WeakPolarHBondContact O-CG1 3.4Å; L424-I428 PolarHBondContact O-N 2.92Å
425T81.2Confident75.1Confident73 Ų7385.6 Ų85.645%0.44845%0.446SS..Hα-helixtrans-71.5-39.2177.4-55.50000112.1K400 M421 A422 E423 R427 I428 S429K400-T425 PolarHBondContact NZ-OG1 3.48Å; M421-T425 WeakPolarHBondContact O-CB 3.47Å; M421-T425 PolarHBondContact O-N 2.78Å; M421-T425 VanDerWaalsContact O-N 3.08Å; M421-T425 PolarHBondContact O-OG1 2.97Å; A422-T425 PolarHBondContact O-N 2.95Å; E423-T425 VanDerWaalsContact C-N 3.26Å; E423-T425 PolarHBondContact O-N 3.14Å; T425-R427 VanDerWaalsContact C-N 3.34Å; T425-I428 PolarHBondContact O-N 3.28Å; T425-S429 PolarHBondContact O-N 3.12Å; T425-S429 VanDerWaalsContact O-N 3.12Å
426A80.4Confident76.2Confident52 Ų5284 Ų8443%0.4344%0.439SS..Hα-helixtrans-63.9-39.6171.700000111.7A422 E423 S429 Q430A422-A426 PolarHBondContact O-N 3.46Å; E423-A426 PolarHBondContact O-N 2.89Å; A426-S429 PolarHBondContact O-N 2.85Å; A426-Q430 WeakPolarHBondContact O-CG 3.45Å; A426-Q430 PolarHBondContact O-N 3.15Å
427R81.1Confident77.1Confident146 Ų14683.3 Ų83.355%0.55143%0.434SS*.Hα-helixtrans-61.4-48.1176-161.175.2178.4-159.71.2111.7E423 L424 T425 S429 Q430 L431E423-R427 WeakPolarHBondContact O-CB 3.41Å; E423-R427 PolarHBondContact O-N 3.45Å; L424-R427 PolarHBondContact O-N 3.4Å; T425-R427 VanDerWaalsContact C-N 3.34Å; R427-S429 VanDerWaalsContact C-N 3.34Å; R427-S429 PolarHBondContact O-N 2.83Å; R427-Q430 PolarHBondContact O-N 3.35Å; R427-L431 HydrophobicContact CG-CD1 4.29Å; R427-L431 VanDerWaalsContact O-CG 3.29Å; R427-L431 WeakPolarHBondContact O-CG 3.28Å; R427-L431 PolarHBondContact O-N 3.01Å
428I78.6Confident78.1Confident20 Ų2084.5 Ų84.510%0.10344%0.437CS..Hα-helixtrans-57.8-46176.1-70.3161.1000110.7E397 K400 L424 T425 Q430 L431 E432E397-I428 HydrophobicContact CG-CD1 3.76Å; E397-I428 HydrophobicContact CG-CG1 4.33Å; K400-I428 HydrophobicContact CD-CD1 4.36Å; L424-I428 WeakPolarHBondContact O-CD1 3Å; L424-I428 VanDerWaalsContact O-CG1 3.25Å; L424-I428 WeakPolarHBondContact O-CG1 3.4Å; L424-I428 PolarHBondContact O-N 2.92Å; T425-I428 PolarHBondContact O-N 3.28Å; I428-Q430 PolarHBondContact O-N 2.99Å; I428-L431 PolarHBondContact O-N 2.61Å; I428-E432 WeakPolarHBondContact O-CB 3.33Å; I428-E432 PolarHBondContact O-N 3.23Å
429S81Confident78.5Confident60 Ų6086.3 Ų86.342%0.4244%0.435SS..Hα-helixtrans-64.1-38.5179.2-176.30000113.3T425 A426 R427 E432 M433T425-S429 PolarHBondContact O-N 3.12Å; T425-S429 VanDerWaalsContact O-N 3.12Å; A426-S429 PolarHBondContact O-N 2.85Å; R427-S429 VanDerWaalsContact C-N 3.34Å; R427-S429 PolarHBondContact O-N 2.83Å; S429-E432 PolarHBondContact O-N 3.43Å; S429-M433 PolarHBondContact O-N 3.04Å; S429-M433 VanDerWaalsContact O-N 3.11Å
430Q84.4Confident78.9Confident120 Ų12083.5 Ų83.556%0.56143%0.426SS*.Hα-helixtrans-65.2-42.8173.7-72.8178.5-0.200112.3A426 R427 I428 E432 A434A426-Q430 WeakPolarHBondContact O-CG 3.45Å; A426-Q430 PolarHBondContact O-N 3.15Å; R427-Q430 PolarHBondContact O-N 3.35Å; I428-Q430 PolarHBondContact O-N 2.99Å; Q430-E432 VanDerWaalsContact C-N 3.31Å; Q430-E432 PolarHBondContact O-N 3.4Å; Q430-A434 WeakPolarHBondContact O-CB 3.35Å; Q430-A434 PolarHBondContact O-N 2.87Å
431L80.7Confident79.2Confident31 Ų3182.4 Ų82.416%0.16242%0.421CS..Hα-helixtrans-63.3-37.5176.2-68.8167.7000111.8L389 R393 R427 I428 A434 R435L389-L431 HydrophobicContact CB-CD2 4.48Å; L389-L431 HydrophobicContact CD2-CD2 3.66Å; R393-L431 HydrophobicContact CB-CD1 4.09Å; R427-L431 HydrophobicContact CG-CD1 4.29Å; R427-L431 VanDerWaalsContact O-CG 3.29Å; R427-L431 WeakPolarHBondContact O-CG 3.28Å; R427-L431 PolarHBondContact O-N 3.01Å; I428-L431 PolarHBondContact O-N 2.61Å; L431-A434 PolarHBondContact O-N 2.92Å; L431-R435 PolarHBondContact O-N 3.41Å
432E78.7Confident79.4Confident84 Ų8481.7 Ų81.739%0.39342%0.423SS..Hα-helixtrans-70.1-42.1-179.6-163.9155.7-103.800112.5R393 I428 S429 Q430 R435 Q436R393-E432 IonicContact CZ-OE1 3.65Å; R393-E432 IonicContact NH1-OE1 2.7Å; R393-E432 PolarHBondContact NH1-OE1 2.84Å; R393-E432 IonicContact NH2-OE1 3.73Å; I428-E432 WeakPolarHBondContact O-CB 3.33Å; I428-E432 PolarHBondContact O-N 3.23Å; S429-E432 PolarHBondContact O-N 3.43Å; Q430-E432 VanDerWaalsContact C-N 3.31Å; Q430-E432 PolarHBondContact O-N 3.4Å; E432-R435 PolarHBondContact O-N 3.16Å; E432-Q436 PolarHBondContact O-N 3.19Å; E432-Q436 VanDerWaalsContact O-N 3.14Å
433M80.6Confident79.4Confident119 Ų11983.3 Ų83.359%0.58643%0.427SS*.Hα-helixtrans-63.7-38.8170.7-74.4-171.7-75.900112.5S429 R435 K437S429-M433 PolarHBondContact O-N 3.04Å; S429-M433 VanDerWaalsContact O-N 3.11Å; M433-R435 VanDerWaalsContact C-N 3.34Å; M433-K437 PolarHBondContact O-N 2.84Å
434A81.8Confident79.2Confident45 Ų4582 Ų8237%0.37242%0.421SS..Hα-helixtrans-63.3-40.1175.300000112Q430 L431 K437 K438Q430-A434 WeakPolarHBondContact O-CB 3.35Å; Q430-A434 PolarHBondContact O-N 2.87Å; L431-A434 PolarHBondContact O-N 2.92Å; A434-K437 PolarHBondContact O-N 2.89Å; A434-K438 PolarHBondContact O-N 2.87Å
435R81.5Confident79Confident121 Ų12184.4 Ų84.446%0.45743%0.428SS..Hα-helixtrans-62.7-50.2177.7-157.6-161.290.8-169.410.4111.9L431 E432 M433 K437 K438 E439L431-R435 PolarHBondContact O-N 3.41Å; E432-R435 PolarHBondContact O-N 3.16Å; M433-R435 VanDerWaalsContact C-N 3.34Å; R435-K437 PolarHBondContact O-N 2.59Å; R435-K438 PolarHBondContact O-N 3.36Å; R435-K438 VanDerWaalsContact O-N 3.07Å; R435-E439 IonicContact CZ-OE2 3.31Å; R435-E439 VanDerWaalsContact CZ-OE2 3.22Å; R435-E439 IonicContact NE-OE2 2.74Å; R435-E439 PolarHBondContact NE-OE2 2.98Å; R435-E439 IonicContact NH2-OE1 2.7Å; R435-E439 PolarHBondContact NH2-OE1 3.21Å; R435-E439 IonicContact NH2-OE2 3.22Å; R435-E439 PolarHBondContact NH2-OE2 3.25Å; R435-E439 WeakPolarHBondContact O-CB 3.38Å; R435-E439 PolarHBondContact O-N 3.47Å
436Q79.9Confident78.7Confident129 Ų12987.8 Ų87.860%0.60344%0.438SS*.Hα-helixtrans-57.7-35.6-179.3-74.1-174.1-9.200112.7E432 E439 S440E432-Q436 PolarHBondContact O-N 3.19Å; E432-Q436 VanDerWaalsContact O-N 3.14Å; Q436-E439 PolarHBondContact O-N 2.86Å; Q436-S440 PolarHBondContact O-N 3.22Å; Q436-S440 VanDerWaalsContact O-N 3.11Å; Q436-S440 PolarHBondContact O-OG 2.65Å
437K80Confident78.6Confident136 Ų13692.5 Ų92.559%0.59145%0.451SS*.Hα-helixtrans-65.2-45.7174.9-166.8-174.1177.7-159.50112.4M433 A434 R435 E439 S440 E441M433-K437 PolarHBondContact O-N 2.84Å; A434-K437 PolarHBondContact O-N 2.89Å; R435-K437 PolarHBondContact O-N 2.59Å; K437-E439 VanDerWaalsContact C-N 3.33Å; K437-E439 PolarHBondContact O-N 3.2Å; K437-S440 PolarHBondContact O-N 2.86Å; K437-S440 PolarHBondContact O-OG 2.86Å; K437-E441 WeakPolarHBondContact CE-OE1 3.44Å; K437-E441 IonicContact NZ-OE1 2.58Å; K437-E441 WeakPolarHBondContact O-CG 3.35Å; K437-E441 PolarHBondContact O-N 3.28Å
438K77.3Confident78.3Confident70 Ų7090.3 Ų90.330%0.30445%0.446SS..Hα-helixtrans-67.5-32.5176.4-72.7-50.4-164.6177.30113.5A382 A434 R435 E441 A442A382-K438 HydrophobicContact CB-CD 4.22Å; A434-K438 PolarHBondContact O-N 2.87Å; R435-K438 PolarHBondContact O-N 3.36Å; R435-K438 VanDerWaalsContact O-N 3.07Å; K438-E441 WeakPolarHBondContact CD-OE2 3.37Å; K438-E441 WeakPolarHBondContact CE-OE2 3.45Å; K438-E441 IonicContact NZ-OE2 3.62Å; K438-E441 PolarHBondContact NZ-OE2 3.36Å; K438-A442 PolarHBondContact O-N 2.85Å
439E77Confident77.8Confident101 Ų10192.5 Ų92.547%0.47247%0.467SS..Hα-helixtrans-68.2-35.5177.6-158.1161.1176.900111.7R435 Q436 K437R435-E439 IonicContact CZ-OE2 3.31Å; R435-E439 VanDerWaalsContact CZ-OE2 3.22Å; R435-E439 IonicContact NE-OE2 2.74Å; R435-E439 PolarHBondContact NE-OE2 2.98Å; R435-E439 IonicContact NH2-OE1 2.7Å; R435-E439 PolarHBondContact NH2-OE1 3.21Å; R435-E439 IonicContact NH2-OE2 3.22Å; R435-E439 PolarHBondContact NH2-OE2 3.25Å; R435-E439 WeakPolarHBondContact O-CB 3.38Å; R435-E439 PolarHBondContact O-N 3.47Å; Q436-E439 PolarHBondContact O-N 2.86Å; K437-E439 VanDerWaalsContact C-N 3.33Å; K437-E439 PolarHBondContact O-N 3.2Å
440S77.9Confident77.3Confident75 Ų7597.6 Ų97.652%0.52448%0.484SS..Hα-helixtrans-77.9-38.4174.941.30000113.5Q436 K437 A442 V443Q436-S440 PolarHBondContact O-N 3.22Å; Q436-S440 VanDerWaalsContact O-N 3.11Å; Q436-S440 PolarHBondContact O-OG 2.65Å; K437-S440 PolarHBondContact O-N 2.86Å; K437-S440 PolarHBondContact O-OG 2.86Å; S440-A442 PolarHBondContact O-N 2.79Å; S440-V443 PolarHBondContact O-N 3.37Å
441E76.8Confident76.9Confident66 Ų66100.4 Ų100.431%0.30850%0.499SS..Hα-helixtrans-56.5-32.7171.1-75.8172.2-162.900112.1K437 K438K437-E441 WeakPolarHBondContact CE-OE1 3.44Å; K437-E441 IonicContact NZ-OE1 2.58Å; K437-E441 WeakPolarHBondContact O-CG 3.35Å; K437-E441 PolarHBondContact O-N 3.28Å; K438-E441 WeakPolarHBondContact CD-OE2 3.37Å; K438-E441 WeakPolarHBondContact CE-OE2 3.45Å; K438-E441 IonicContact NZ-OE2 3.62Å; K438-E441 PolarHBondContact NZ-OE2 3.36Å
442A73.7Confident76.2Confident37 Ų37101.8 Ų101.831%0.30651%0.509SS..Hα-helixtrans-73.1-28.8-178.400000114.7R379 K438 S440R379-A442 HydrophobicContact CG-CB 4.39Å; K438-A442 PolarHBondContact O-N 2.85Å; S440-A442 PolarHBondContact O-N 2.79Å
443V78.2Confident75.3Confident89 Ų89106.3 Ų106.354%0.53953%0.53SS..Hα-helixtrans-75-38.3-175.6175.60000111.9S440 W445 Q446S440-V443 PolarHBondContact O-N 3.37Å; V443-W445 PolarHBondContact O-N 2.94Å; V443-Q446 PolarHBondContact O-N 2.96Å
444E76.9Confident74.3Confident112 Ų112109.6 Ų109.652%0.52354%0.544SS..Hα-helixtrans-62.2-31.7-178.2-158.4-161.4126.400112.4K448E444-K448 WeakPolarHBondContact OE1-CE 3.38Å; E444-K448 IonicContact OE1-NZ 2.64Å; E444-K448 PolarHBondContact OE1-NZ 3.29Å
445W71Confident72.4Confident87 Ų87115.1 Ų115.133%0.3357%0.567SS.*Hα-helixtrans-71.7-27.9178.8-65.3126.1000113.9L375 V443 Q447 K448L375-W445 HydrophobicContact CB-CD2 4.42Å; L375-W445 HydrophobicContact CB-CE3 4.33Å; L375-W445 HydrophobicContact CD1-CD2 4.38Å; L375-W445 HydrophobicContact CD1-CE3 3.51Å; L375-W445 HydrophobicContact CD1-CH2 4.34Å; L375-W445 HydrophobicContact CD1-CZ3 3.48Å; L375-W445 VanDerWaalsContact CD1-CZ3 3.48Å; L375-W445 HydrophobicContact CD2-CD2 3.82Å; L375-W445 HydrophobicContact CD2-CE3 3.59Å; L375-W445 HydrophobicContact CD2-CH2 3.34Å; L375-W445 HydrophobicContact CD2-CZ2 3.55Å; L375-W445 HydrophobicContact CD2-CZ3 3.35Å; L375-W445 HydrophobicContact CG-CD2 4.41Å; L375-W445 HydrophobicContact CG-CE3 3.98Å; L375-W445 HydrophobicContact CG-CH2 4.43Å; L375-W445 HydrophobicContact CG-CZ3 3.99Å; V443-W445 PolarHBondContact O-N 2.94Å; W445-Q447 PolarHBondContact O-N 3.08Å; W445-K448 HydrophobicContact CE3-CD 3.88Å; W445-K448 HydrophobicContact CZ3-CD 3.94Å
446Q75.4Confident70.4Confident144 Ų144116.1 Ų116.167%0.67358%0.581SS**Hα-helixtrans-70.3-33.8-176.7-173.9171.4-11.900112.8V443 K448V443-Q446 PolarHBondContact O-N 2.96Å; Q446-K448 VanDerWaalsContact C-N 3.34Å; Q446-K448 PolarHBondContact O-N 2.89Å
447Q77.7Confident68.8Low150 Ų150119.1 Ų119.170%0.70160%0.595SS**Hα-helixtrans-70.7-27.9-176.3-67.5-176.2-1600113.4W445 A449W445-Q447 PolarHBondContact O-N 3.08Å; Q447-A449 VanDerWaalsContact C-N 3.29Å; Q447-A449 PolarHBondContact O-N 2.84Å
448K74.4Confident67Low100 Ų100122.1 Ų122.144%0.43561%0.608SS.*THydrogen-bonded Turntrans-75.3-14.9-173-63.4170.7-168.6169.50113.7E444 W445 Q446E444-K448 WeakPolarHBondContact OE1-CE 3.38Å; E444-K448 IonicContact OE1-NZ 2.64Å; E444-K448 PolarHBondContact OE1-NZ 3.29Å; W445-K448 HydrophobicContact CE3-CD 3.88Å; W445-K448 HydrophobicContact CZ3-CD 3.94Å; Q446-K448 VanDerWaalsContact C-N 3.34Å; Q446-K448 PolarHBondContact O-N 2.89Å
449A69.3Low65Low66 Ų66125.3 Ų125.355%0.54563%0.634SS.*THydrogen-bonded Turntrans-87.7-24.6-171.600000115.1Q447Q447-A449 VanDerWaalsContact C-N 3.29Å; Q447-A449 PolarHBondContact O-N 2.84Å
450Q71.2Confident62.8Low167 Ų167132.2 Ų132.278%0.7866%0.655SS**G310 helixtrans-79-19.8-170.7-70.6-175.1-51.500114.5V452Q450-V452 VanDerWaalsContact C-N 3.28Å; Q450-V452 PolarHBondContact O-N 3.24Å
451M74.1Confident60.9Low179 Ų179133.4 Ų133.488%0.88267%0.67SS**G310 helixtrans-81.93.6-165-149.3-1797700115.1
452V66.2Low58.8Low60 Ų60138.9 Ų138.936%0.36470%0.695SS.*G310 helixtrans-104.3-17.3-165.3-179.10000113.3L365 Q450L365-V452 HydrophobicContact CD1-CG1 3.59Å; Q450-V452 VanDerWaalsContact C-N 3.28Å; Q450-V452 PolarHBondContact O-N 3.24Å
453Q59.7Low56.8Low180 Ų180145.2 Ų145.284%0.84172%0.723SS**SBendtrans-98.1-7.1-157.4-166163.3-24.100115.8
454E61.3Low54.8Low188 Ų188150.1 Ų150.188%0.87974%0.737SS**SBendtrans-91.5-12-168.1-62.2-169.8130.500115.9
455D41.9Very low53Low160 Ų160151.5 Ų151.586%0.85675%0.753SS**SBendtrans-97.83.3-159.3-145.625.9000116.1
456L38.4Very low51.1Low142 Ų142151.6 Ų151.674%0.74377%0.773SS**SBendtrans-98-17.5-160.4-158.1137.2000116.6
457E47.7Very low49.1Very low192 Ų192153.1 Ų153.190%0.89778%0.782SS**SBendtrans-89.6-3-161.5-61.8-159.2130.900117.1
458K40.7Very low47.1Very low200 Ų200150.8 Ų150.887%0.8778%0.782SS**  trans-90-8.7-153.7-153.2168.5-176.9174.30118
459T35.3Very low45.4Very low137 Ų137152.2 Ų152.284%0.8480%0.8SS**SBendtrans-115.232.9-148.4-31.80000116.3
460R31.6Very low43.6Very low246 Ų246153.6 Ų153.693%0.92880%0.803SS**  trans-149.558.8-164.6-157.2-177.4-174.41773117.4
461A37.7Very low41.7Very low100 Ų100153.9 Ų153.983%0.82680%0.804SS**  trans-143.47.1-172.600000120
462E33Very low39.5Very low181 Ų181151.2 Ų151.285%0.84680%0.798SS**  trans-136.2115.8-167.9-59.5177.617200113.8
463L32.3Very low38Very low170 Ų170151.4 Ų151.489%0.8981%0.806SS**  trans175.8156.3163.6-104.6156.3000115.2
464K35Very low37Very low191 Ų191150.7 Ų150.783%0.8380%0.802SS**  trans78.3151.9175.7-49.2176-179.4176.80115.7
465T38.4Very low35.7Very low141 Ų141146 Ų14687%0.86579%0.789SS**  cis-150.6-177.619.4-31.60000112.4
466A32.2Very low35.5Very low90 Ų90140 Ų14074%0.74476%0.761SS**  trans-156.4-167.6-163.900000117.5
467M34.1Very low35.3Very low175 Ų175139.4 Ų139.486%0.86275%0.754SS**  trans119152.3145.3-61.4178.164.900124.2
468S34.9Very low34.7Very low101 Ų101134.3 Ų134.371%0.70673%0.733SS**  trans91.2150.4147.9-61.90000124.1
469T37.9Very low34.3Very low130 Ų130128.9 Ų128.980%0.79871%0.711SS**  cis-151.6-93.1-25.126.70000119.8
470P33.2Very low34.4Very low95 Ų95127.2 Ų127.262%0.61769%0.694SS**  trans-143.5-178-134.744.4-24.7000123.1
471H30.1Very low34.4Very low173 Ų173118.4 Ų118.480%0.80167%0.665SS**  trans74.3159.7148.9-79.7-44.8000122.9
472V28.8Very low34Very low123 Ų123118.2 Ų118.275%0.74565%0.647SS**  cis-154.4-165.9-28.5-129.30000109.5
473A34.2Very low34.2Very low65 Ų65114.4 Ų114.454%0.53763%0.629SS.*  cis-172.1156-9.300000115.1
474E38Very low35Very low164 Ų164108.4 Ų108.477%0.76660%0.598SS**  trans71.2-179.5139.4-65.6172.7-158.300124.5
475P34.9Very low35.7Very low91 Ų91104.7 Ų104.759%0.59158%0.584SS**  -142.9-168.7-88.746.5-26.1000120.4Q315Q315-P475 VanDerWaalsContact OE1-C 3.24Å; Q315-P475 VanDerWaalsContact OE1-CA 3.28Å
476A37.7Very low35.6Very low34 Ų3499.8 Ų99.828%0.28155%0.552SS.*  trans88.4177.2155.900000122
477E33.2Very low35.6Very low128 Ų12897 Ų9760%0.59853%0.533SS*.  cis-161.6160.5-49-114.8-179.9-11300120E311E311-E477 PolarHBondContact OE1-N 2.85Å
478N36.4Very low35.4Very low86 Ų8691.5 Ų91.546%0.4652%0.515SS..  trans73.6131.1133.2-150.939000131.5Q308Q308-N478 VanDerWaalsContact CB-O 3.25Å; Q308-N478 WeakPolarHBondContact CB-O 3.33Å; Q308-N478 VanDerWaalsContact CG-O 3.28Å; Q308-N478 WeakPolarHBondContact CG-O 3.46Å
479E32.2Very low36.3Very low86 Ų8693.5 Ų93.540%0.40251%0.513SS..  trans87.7138.7142.7-98.9179.1-119.500133.3R40 Q308R40-E479 PolarHBondContact NH1-O 3.37Å; Q308-E479 PolarHBondContact OE1-O 3.45Å; Q308-E479 VanDerWaalsContact OE1-O 3.07Å
480Q36.4Very low37.3Very low101 Ų10189 Ų8947%0.47249%0.489SS..  trans47.6163.7152.3-73.3-176.292.300125.6R40 M305R40-Q480 VanDerWaalsContact CD-O 3.31Å; R40-Q480 WeakPolarHBondContact CD-O 3.39Å; R40-Q480 PolarHBondContact NH1-O 2.93Å; M305-Q480 WeakPolarHBondContact CG-O 3.24Å
481D31.2Very low39.4Very low62 Ų6287.8 Ų87.833%0.33248%0.483SS..  -160.6-177.8-56-128.1107.9000119R40R40-D481 HydrophobicContact CG-CB 4.4Å
482E29.5Very low41.5Very low95 Ų9580 Ų8044%0.44445%0.448SS..  trans74.7149.5148.3-67.6-88.1151.700131.6
483Q37.4Very low44Very low102 Ų10278 Ų7848%0.47743%0.433SS..  trans43.6166.4154.2-83.9171.48900127.8V42V42-Q483 VanDerWaalsContact CG2-C 3.42Å; V42-Q483 VanDerWaalsContact CG2-CA 3.48Å; V42-Q483 VanDerWaalsContact CG2-N 3.28Å; V42-Q483 WeakPolarHBondContact CG2-O 3.46Å
484D48.8Very low46.1Very low43 Ų4375.3 Ų75.323%0.2341%0.41CS..  cis-156.5-145.9-34.1-139.2-112.8000111.3K27K27-D484 WeakPolarHBondContact CE-OD2 3.37Å; K27-D484 VanDerWaalsContact CG-OD2 3.28Å; K27-D484 WeakPolarHBondContact CG-OD2 3.24Å; K27-D484 IonicContact NZ-OD2 2.68Å; K27-D484 PolarHBondContact NZ-OD2 2.93Å
485E51.3Low47.5Very low113 Ų11375 Ų7553%0.52840%0.402SS..  cis-149.1-141.1-3.8-143.3-75.5126.500113.6
486N35.9Very low48.7Very low38 Ų3872.6 Ų72.620%0.20339%0.39CS..  trans-149.6175.5-155.7-65.3-81.6000121.9L61 N62L61-N486 WeakPolarHBondContact CA-OD1 3.45Å; L61-N486 WeakPolarHBondContact CB-ND2 3.17Å; L61-N486 WeakPolarHBondContact CB-OD1 3.18Å; L61-N486 PolarHBondContact N-OD1 2.92Å; N62-N486 HydrophobicContact CB-CB 3.82Å; N62-N486 WeakPolarHBondContact CB-ND2 3.47Å; N62-N486 PolarHBondContact N-ND2 3.31Å; N62-N486 PolarHBondContact N-OD1 2.89Å; N62-N486 VanDerWaalsContact ND2-CB 3.29Å; N62-N486 WeakPolarHBondContact ND2-CB 3.47Å
487G32.6Very low49.6Very low33 Ų3376.6 Ų76.634%0.3441%0.406SS..  trans177.2163.5167.100000116.8K60K60-G487 PolarHBondContact NZ-O 3.38Å
488A29.4Very low50.4Low59 Ų5974.4 Ų74.449%0.48841%0.41SS..SBendtrans-163105.9174.500000115
489E54.2Low51.1Low143 Ų14377.2 Ų77.267%0.66842%0.422SS*.SBendtrans66.8120-157-159.8161.6-6500110.4K278K278-E489 IonicContact NZ-OE1 3.72Å; K278-E489 PolarHBondContact NZ-OE1 2.84Å
490A58.4Low52.3Low34 Ų3473.4 Ų73.428%0.28141%0.406SS..  trans-163.1153.4-173.300000109.8L281 M285L281-A490 HydrophobicContact CD2-CB 3.78Å; L281-A490 WeakPolarHBondContact CD2-O 3.3Å; M285-A490 HydrophobicContact SD-CB 4.36Å
491S76.5Confident53.5Low70 Ų7076.8 Ų76.849%0.4942%0.419SS..  trans-105.9144.9141.3178.40000106.4N247 I248N247-S491 PolarHBondContact ND2-OG 3.48Å; N247-S491 PolarHBondContact OD1-OG 2.93Å; I248-S491 WeakPolarHBondContact O-CA 3.45Å; I248-S491 PolarHBondContact O-OG 2.91Å; I248-S491 VanDerWaalsContact O-OG 3.07Å
492A73.7Confident55.5Low10 Ų1077.5 Ų77.58%0.08342%0.423CS..EExtended strand (participates in β ladder)trans-112.9119.1170.500000108.4N247 I248 L281 M285 L494N247-A492 VanDerWaalsContact CA-O 3.31Å; N247-A492 WeakPolarHBondContact CA-O 3.31Å; N247-A492 PolarHBondContact ND2-O 3.34Å; N247-A492 VanDerWaalsContact ND2-O 3.13Å; I248-A492 HydrophobicContact CD1-CB 4.45Å; I248-A492 HydrophobicContact CG1-CB 3.94Å; I248-A492 PolarHBondContact N-O 3.45Å; I248-A492 PolarHBondContact O-N 2.62Å; L281-A492 HydrophobicContact CD1-CB 4.46Å; M285-A492 HydrophobicContact CE-CB 4.38Å; M285-A492 HydrophobicContact CG-CB 3.59Å; M285-A492 HydrophobicContact SD-CB 4.07Å; A492-L494 HydrophobicContact CB-CD2 3.61Å; A492-L494 HydrophobicContact CB-CG 4.35Å; A492-L494 PolarHBondContact O-N 2.79Å
493D81.5Confident57.9Low81 Ų8177.1 Ų77.143%0.43342%0.417SS..EExtended strand (participates in β ladder)trans-84.2102.1170.9-1531.2000107R495D493-R495 PolarHBondContact O-N 3.21Å; D493-R495 WeakPolarHBondContact OD1-CG 3.47Å; D493-R495 IonicContact OD1-CZ 3.1Å; D493-R495 IonicContact OD1-NE 2.87Å; D493-R495 PolarHBondContact OD1-NE 3.47Å; D493-R495 IonicContact OD1-NH2 2.68Å; D493-R495 IonicContact OD2-CZ 2.88Å; D493-R495 IonicContact OD2-NE 3.77Å; D493-R495 PolarHBondContact OD2-NE 3.4Å; D493-R495 IonicContact OD2-NH2 3.84Å; D493-R495 PolarHBondContact OD2-NH2 2.9Å
494L78.9Confident60Low9 Ų975.2 Ų75.25%0.04742%0.416CS..  trans-90.348.8-171.5-60.3-167.1000110.2W242 I245 R246 I248 H288 A492 A496W242-L494 HydrophobicContact CE3-CD1 4.41Å; W242-L494 HydrophobicContact CZ3-CD1 4.33Å; I245-L494 HydrophobicContact CG2-CD1 3.95Å; I245-L494 VanDerWaalsContact O-O 3.12Å; R246-L494 CarbonylContact O-C 3.49Å; R246-L494 WeakPolarHBondContact O-CA 3.26Å; R246-L494 PolarHBondContact O-N 3.02Å; I248-L494 HydrophobicContact CD1-CD1 3.78Å; I248-L494 HydrophobicContact CD1-CG 4.46Å; I248-L494 HydrophobicContact CG1-CD1 3.85Å; I248-L494 HydrophobicContact CG1-CG 4.15Å; I248-L494 HydrophobicContact CG2-CD1 4.19Å; H288-L494 HydrophobicContact CB-CD1 4.02Å; H288-L494 HydrophobicContact CB-CD2 4.16Å; H288-L494 PolarHBondContact NE2-O 3.37Å; A492-L494 HydrophobicContact CB-CD2 3.61Å; A492-L494 HydrophobicContact CB-CG 4.35Å; A492-L494 PolarHBondContact O-N 2.79Å; L494-A496 PolarHBondContact O-N 2.87Å
495R66.6Low61.7Low156 Ų15673.9 Ų73.959%0.58941%0.408SS*.PPolyproline II helixtrans-79.2116.4-174.1-62.6-170-165.417617.5111.4D493 D497D493-R495 PolarHBondContact O-N 3.21Å; D493-R495 WeakPolarHBondContact OD1-CG 3.47Å; D493-R495 IonicContact OD1-CZ 3.1Å; D493-R495 IonicContact OD1-NE 2.87Å; D493-R495 PolarHBondContact OD1-NE 3.47Å; D493-R495 IonicContact OD1-NH2 2.68Å; D493-R495 IonicContact OD2-CZ 2.88Å; D493-R495 IonicContact OD2-NE 3.77Å; D493-R495 PolarHBondContact OD2-NE 3.4Å; D493-R495 IonicContact OD2-NH2 3.84Å; D493-R495 PolarHBondContact OD2-NH2 2.9Å; R495-D497 PolarHBondContact O-N 2.97Å
496A61.2Low63.3Low42 Ų4270.5 Ų70.535%0.34739%0.392SS..PPolyproline II helixtrans-57123.2158.800000111.2M292 L494 A500M292-A496 HydrophobicContact SD-CB 4.48Å; L494-A496 PolarHBondContact O-N 2.87Å; A496-A500 HydrophobicContact CB-CB 3.84Å
497D56.1Low65.7Low117 Ų11776.6 Ų76.663%0.62642%0.419SS*.PPolyproline II helixtrans-66164.9154.8-96.5-44.8000110.3R495 M499 A500R495-D497 PolarHBondContact O-N 2.97Å; D497-M499 PolarHBondContact O-N 2.68Å; D497-A500 PolarHBondContact O-N 3.33Å
498A51Low68.4Low82 Ų8276.4 Ų76.468%0.67841%0.408SS*.THydrogen-bonded Turntrans-58.2-19-176.600000115K501A498-K501 WeakPolarHBondContact O-CG 3.43Å
499M50.7Low71.3Confident145 Ų14576 Ų7671%0.71440%0.4SS*.THydrogen-bonded Turntrans-75.1-28.7175.2-70.1176.2170.300113.6D497 K501D497-M499 PolarHBondContact O-N 2.68Å; M499-K501 PolarHBondContact O-N 2.79Å
500A56.2Low73.1Confident7 Ų770 Ų706%0.05837%0.373CS..THydrogen-bonded Turntrans-79.737.5-178.800000113.1M292 R295 A496 D497M292-A500 HydrophobicContact CE-CB 3.71Å; M292-A500 HydrophobicContact SD-CB 3.51Å; M292-A500 VanDerWaalsContact SD-CB 3.51Å; R295-A500 HydrophobicContact CB-CB 4.28Å; A496-A500 HydrophobicContact CB-CB 3.84Å; D497-A500 PolarHBondContact O-N 3.33Å
501K61.7Low74.5Confident171 Ų17169.7 Ų69.774%0.74337%0.366SS*.THydrogen-bonded Turntrans-92.2-10.5171.6-75.3-175.9177.8-178.90113.4A498 M499 R503A498-K501 WeakPolarHBondContact O-CG 3.43Å; M499-K501 PolarHBondContact O-N 2.79Å; K501-R503 PolarHBondContact O-N 2.88Å
502D74.2Confident74.9Confident78 Ų7868 Ų6842%0.41736%0.356SS..  trans-59.6135.7171-176.525.1000110.2R295 S504R295-D502 HydrophobicContact CG-CB 4.45Å; R295-D502 PolarHBondContact NE-O 3.24Å; R295-D502 PolarHBondContact NH2-O 3.42Å; D502-S504 VanDerWaalsContact OD1-CB 3.3Å; D502-S504 WeakPolarHBondContact OD1-CB 3.22Å; D502-S504 PolarHBondContact OD1-N 2.81Å; D502-S504 PolarHBondContact OD1-OG 2.81Å; D502-S504 PolarHBondContact OD2-OG 2.85Å
503R80Confident75.5Confident86 Ų8671.1 Ų71.133%0.32537%0.369SS..  trans-13426.6178.9-69.3-179.870.7136.8-0.6111.3K501 E505 E506K501-R503 PolarHBondContact O-N 2.88Å; R503-E505 WeakPolarHBondContact CA-OE2 3.26Å; R503-E505 PolarHBondContact O-N 3.48Å; R503-E505 VanDerWaalsContact O-N 3.13Å; R503-E506 HydrophobicContact CB-CG 4.47Å; R503-E506 IonicContact CZ-OE1 3.04Å; R503-E506 IonicContact CZ-OE2 2.64Å; R503-E506 IonicContact NE-OE1 3.34Å; R503-E506 IonicContact NE-OE2 2.59Å; R503-E506 PolarHBondContact NE-OE2 3.02Å; R503-E506 IonicContact NH2-OE1 3.06Å; R503-E506 PolarHBondContact NH2-OE1 3.46Å; R503-E506 IonicContact NH2-OE2 2.74Å; R503-E506 PolarHBondContact NH2-OE2 2.62Å; R503-E506 WeakPolarHBondContact O-CB 3.4Å; R503-E506 PolarHBondContact O-N 2.92Å
504S81.3Confident75.7Confident63 Ų6372.4 Ų72.444%0.44137%0.37SS..G310 helixtrans-53.1-26.1178.854.10000114.3D502 E506 E507D502-S504 VanDerWaalsContact OD1-CB 3.3Å; D502-S504 WeakPolarHBondContact OD1-CB 3.22Å; D502-S504 PolarHBondContact OD1-N 2.81Å; D502-S504 PolarHBondContact OD1-OG 2.81Å; D502-S504 PolarHBondContact OD2-OG 2.85Å; S504-E506 PolarHBondContact O-N 3.13Å; S504-E507 PolarHBondContact O-N 2.8Å
505E84.1Confident76Confident14 Ų1475.3 Ų75.37%0.06539%0.386CS..G310 helixtrans-62.5-23.9173.781.5-79.7-155.400113.1E87 L223 Y291 R295 R503 E507 R508E87-E505 HydrophobicContact CG-CB 4.31Å; L223-E505 HydrophobicContact CD2-CB 3.76Å; L223-E505 HydrophobicContact CD2-CG 3.68Å; Y291-E505 WeakPolarHBondContact CE2-OE1 3.32Å; Y291-E505 PolarHBondContact OH-OE1 3.2Å; R295-E505 IonicContact CZ-OE2 3.67Å; R295-E505 IonicContact NH2-OE1 3.5Å; R295-E505 PolarHBondContact NH2-OE1 3.41Å; R295-E505 IonicContact NH2-OE2 2.65Å; R295-E505 PolarHBondContact NH2-OE2 2.83Å; R503-E505 WeakPolarHBondContact CA-OE2 3.26Å; R503-E505 PolarHBondContact O-N 3.48Å; R503-E505 VanDerWaalsContact O-N 3.13Å; E505-E507 VanDerWaalsContact C-N 3.34Å; E505-R508 VanDerWaalsContact O-CB 3.28Å; E505-R508 WeakPolarHBondContact O-CB 3.34Å; E505-R508 PolarHBondContact O-N 3.45Å
506E85.1Confident76.9Confident42 Ų4274 Ų7420%0.19639%0.386CS..G310 helixtrans-81.5-12.8-179.2-56.9-163.9135.100113.1R503 S504 R560 R563R503-E506 HydrophobicContact CB-CG 4.47Å; R503-E506 IonicContact CZ-OE1 3.04Å; R503-E506 IonicContact CZ-OE2 2.64Å; R503-E506 IonicContact NE-OE1 3.34Å; R503-E506 IonicContact NE-OE2 2.59Å; R503-E506 PolarHBondContact NE-OE2 3.02Å; R503-E506 IonicContact NH2-OE1 3.06Å; R503-E506 PolarHBondContact NH2-OE1 3.46Å; R503-E506 IonicContact NH2-OE2 2.74Å; R503-E506 PolarHBondContact NH2-OE2 2.62Å; R503-E506 WeakPolarHBondContact O-CB 3.4Å; R503-E506 PolarHBondContact O-N 2.92Å; S504-E506 PolarHBondContact O-N 3.13Å; E506-R560 VanDerWaalsContact O-CD 3.23Å; E506-R560 WeakPolarHBondContact O-CD 3.46Å; E506-R560 WeakPolarHBondContact O-CG 3.29Å; E506-R560 PolarHBondContact O-NH1 3.38Å; E506-R563 WeakPolarHBondContact OE1-CD 3.2Å; E506-R563 IonicContact OE1-NH1 2.73Å
507E86.2Confident78Confident166 Ų16678.4 Ų78.478%0.77639%0.394SS*.G310 helixtrans-90.4-6.9173.3-59.5-167162.400112.6S504 E505S504-E507 PolarHBondContact O-N 2.8Å; E505-E507 VanDerWaalsContact C-N 3.34Å
508R88.5Confident79.5Confident30 Ų3073.4 Ų73.411%0.11337%0.368CS..  trans-56.6139.5-175-168.7172.6-175.595.931.1114.2E87 D88 Q196 E505 Y556 R560E87-R508 PolarHBondContact O-NH1 3.5Å; D88-R508 VanDerWaalsContact CB-NH1 3.31Å; D88-R508 IonicContact OD2-CZ 3.25Å; D88-R508 IonicContact OD2-NH1 3.58Å; D88-R508 PolarHBondContact OD2-NH1 3.11Å; D88-R508 IonicContact OD2-NH2 3.3Å; D88-R508 PolarHBondContact OD2-NH2 3.2Å; Q196-R508 VanDerWaalsContact CD-NH2 3.27Å; E505-R508 VanDerWaalsContact O-CB 3.28Å; E505-R508 WeakPolarHBondContact O-CB 3.34Å; E505-R508 PolarHBondContact O-N 3.45Å; R508-Y556 HydrophobicContact CB-CD1 4.18Å; R508-Y556 HydrophobicContact CB-CD2 4.4Å; R508-Y556 HydrophobicContact CB-CE1 4.5Å; R508-Y556 HydrophobicContact CB-CG 4.15Å; R508-Y556 VanDerWaalsContact CD-CE1 3.48Å; R508-Y556 HydrophobicContact CG-CD1 4.21Å; R508-Y556 HydrophobicContact CG-CD2 3.99Å; R508-Y556 HydrophobicContact CG-CE1 4.1Å; R508-Y556 HydrophobicContact CG-CE2 3.84Å; R508-Y556 HydrophobicContact CG-CG 4.17Å; R508-Y556 PolarHBondContact NE-OH 3.22Å; R508-Y556 VanDerWaalsContact O-CB 3.26Å; R508-Y556 WeakPolarHBondContact O-CB 3.47Å; R508-R560 PolarHBondContact O-NH1 2.91Å; R508-R560 PolarHBondContact O-NH2 2.94Å
509T91.3Very high81.2Confident49 Ų4972.6 Ų72.630%0.30135%0.35SS..  trans-119.2159.6171.1540000110.2E513 K514T509-E513 WeakPolarHBondContact CB-OE2 3.23Å; T509-E513 WeakPolarHBondContact CG2-OE2 3.45Å; T509-K514 VanDerWaalsContact O-CE 3.28Å; T509-K514 WeakPolarHBondContact O-CE 3.24Å
510T91.6Very high83Confident18 Ų1871.4 Ų71.411%0.1134%0.341CS..  trans-78.1156178.959.70000111.6D197 A512 E513 K514 D554 Y556D197-T510 HydrophobicContact CB-CG2 3.91Å; D197-T510 WeakPolarHBondContact OD2-CA 3.36Å; D197-T510 WeakPolarHBondContact OD2-CB 3.3Å; T510-A512 PolarHBondContact O-N 3.34Å; T510-E513 WeakPolarHBondContact O-CA 3.37Å; T510-E513 WeakPolarHBondContact O-CB 3.24Å; T510-E513 PolarHBondContact O-N 3.4Å; T510-E513 WeakPolarHBondContact OG1-CB 3.18Å; T510-E513 PolarHBondContact OG1-N 2.7Å; T510-K514 WeakPolarHBondContact O-CG 3.44Å; T510-K514 PolarHBondContact O-N 3.45Å; T510-D554 HydrophobicContact CG2-CB 4.06Å; T510-Y556 HydrophobicContact CG2-CD2 3.82Å; T510-Y556 HydrophobicContact CG2-CE2 3.93Å
511E88.4Confident84.4Confident27 Ų2773.9 Ų73.913%0.12635%0.351CS..Hα-helixtrans-61.6-33.6176.3-57.7-52.9137.500112.2K193 I194 D197 E513 K514 N515K193-E511 HydrophobicContact CB-CG 3.83Å; K193-E511 WeakPolarHBondContact O-CG 3.32Å; I194-E511 HydrophobicContact CG1-CB 4.16Å; I194-E511 HydrophobicContact CG1-CG 4.47Å; D197-E511 PolarHBondContact OD2-N 2.8Å; E511-E513 PolarHBondContact O-N 2.93Å; E511-K514 PolarHBondContact O-N 2.83Å; E511-K514 IonicContact OE1-NZ 3.74Å; E511-K514 PolarHBondContact OE1-NZ 2.95Å; E511-K514 WeakPolarHBondContact OE2-CD 3.5Å; E511-K514 IonicContact OE2-NZ 3.53Å; E511-N515 WeakPolarHBondContact O-CB 3.37Å; E511-N515 PolarHBondContact O-N 2.86Å
512A84.4Confident85.8Confident34 Ų3466.5 Ų66.528%0.28132%0.32SS..Hα-helixtrans-70.8-12.4172.900000113.8T510 Q519 L522T510-A512 PolarHBondContact O-N 3.34Å; A512-Q519 WeakPolarHBondContact O-CB 3.27Å; A512-Q519 WeakPolarHBondContact O-CG 3.41Å; A512-Q519 PolarHBondContact O-NE2 3.22Å; A512-Q519 VanDerWaalsContact O-NE2 3.08Å; A512-L522 HydrophobicContact CB-CD1 4.11Å
513E85.8Confident86.6Confident77 Ų7768.9 Ų68.936%0.3633%0.326SS..Hα-helixtrans-94.5-35169.2-176.5160.1-123.500111.6T509 T510 E511 K557T509-E513 WeakPolarHBondContact CB-OE2 3.23Å; T509-E513 WeakPolarHBondContact CG2-OE2 3.45Å; T510-E513 WeakPolarHBondContact O-CA 3.37Å; T510-E513 WeakPolarHBondContact O-CB 3.24Å; T510-E513 PolarHBondContact O-N 3.4Å; T510-E513 WeakPolarHBondContact OG1-CB 3.18Å; T510-E513 PolarHBondContact OG1-N 2.7Å; E511-E513 PolarHBondContact O-N 2.93Å; E513-K557 IonicContact OE1-NZ 3.46Å; E513-K557 PolarHBondContact OE1-NZ 3.01Å; E513-K557 IonicContact OE2-NZ 2.9Å; E513-K557 PolarHBondContact OE2-NZ 3.29Å
514K86.4Confident87.2Confident107 Ų10767.5 Ų67.547%0.46533%0.334SS..Hα-helixtrans-68-34.2174.5-64.4170.8-167.7171.40113.3T509 T510 E511T509-K514 VanDerWaalsContact O-CE 3.28Å; T509-K514 WeakPolarHBondContact O-CE 3.24Å; T510-K514 WeakPolarHBondContact O-CG 3.44Å; T510-K514 PolarHBondContact O-N 3.45Å; E511-K514 PolarHBondContact O-N 2.83Å; E511-K514 IonicContact OE1-NZ 3.74Å; E511-K514 PolarHBondContact OE1-NZ 2.95Å; E511-K514 WeakPolarHBondContact OE2-CD 3.5Å; E511-K514 IonicContact OE2-NZ 3.53Å
515N85.9Confident87.6Confident71 Ų7165 Ų6538%0.3832%0.315SS..  trans-112.598.2-172.5-172.9-29.2000112.3E511 R517 V518 Q519E511-N515 WeakPolarHBondContact O-CB 3.37Å; E511-N515 PolarHBondContact O-N 2.86Å; N515-R517 VanDerWaalsContact C-N 3.27Å; N515-R517 PolarHBondContact O-N 3.45Å; N515-R517 WeakPolarHBondContact OD1-CB 3.21Å; N515-R517 PolarHBondContact OD1-N 2.83Å; N515-R517 VanDerWaalsContact OD1-N 3.11Å; N515-V518 HydrophobicContact CB-CB 4.04Å; N515-V518 HydrophobicContact CB-CG2 4.2Å; N515-V518 WeakPolarHBondContact ND2-CG2 3.38Å; N515-V518 PolarHBondContact O-N 3.3Å; N515-V518 PolarHBondContact OD1-N 3.13Å; N515-V518 VanDerWaalsContact OD1-N 3.08Å; N515-Q519 PolarHBondContact O-N 2.84Å
516E85.2Confident88Confident127 Ų12767.1 Ų67.159%0.59333%0.329SS*.Hα-helixtrans-55.3-36178.6-79-162.9-160.500114.4Q519 K520E516-Q519 PolarHBondContact O-N 2.93Å; E516-K520 WeakPolarHBondContact O-CB 3.36Å; E516-K520 WeakPolarHBondContact O-CD 3.47Å; E516-K520 VanDerWaalsContact O-CG 3.23Å; E516-K520 WeakPolarHBondContact O-CG 3.29Å; E516-K520 PolarHBondContact O-N 3.36Å; E516-K520 WeakPolarHBondContact OE2-CE 3.33Å; E516-K520 IonicContact OE2-NZ 2.59Å; E516-K520 PolarHBondContact OE2-NZ 3.46Å
517R84.7Confident88.4Confident136 Ų13669 Ų6951%0.51335%0.347SS..Hα-helixtrans-67.9-49.1-178.9176.1178.5168.4-178.1-4109.8E178 N515 Q519 K520 H521E178-R517 VanDerWaalsContact CD-NH2 3.3Å; E178-R517 IonicContact OE2-CZ 3.53Å; E178-R517 IonicContact OE2-NE 3.85Å; E178-R517 PolarHBondContact OE2-NE 2.88Å; E178-R517 IonicContact OE2-NH2 2.69Å; E178-R517 PolarHBondContact OE2-NH2 3.3Å; N515-R517 VanDerWaalsContact C-N 3.27Å; N515-R517 PolarHBondContact O-N 3.45Å; N515-R517 WeakPolarHBondContact OD1-CB 3.21Å; N515-R517 PolarHBondContact OD1-N 2.83Å; N515-R517 VanDerWaalsContact OD1-N 3.11Å; R517-Q519 VanDerWaalsContact C-N 3.28Å; R517-Q519 PolarHBondContact O-N 3.35Å; R517-K520 PolarHBondContact O-N 2.88Å; R517-H521 PolarHBondContact O-CD2 2.85Å; R517-H521 PolarHBondContact O-N 3.46Å
518V85.9Confident88.6Confident12 Ų1265 Ų657%0.07333%0.328CS..Hα-helixtrans-57.2-44.2173.9168.90000110.5L124 W175 N515 K520 H521 L522L124-V518 HydrophobicContact CD2-CG1 3.67Å; W175-V518 HydrophobicContact CH2-CG2 4.46Å; W175-V518 HydrophobicContact CZ3-CG2 4.47Å; N515-V518 HydrophobicContact CB-CB 4.04Å; N515-V518 HydrophobicContact CB-CG2 4.2Å; N515-V518 WeakPolarHBondContact ND2-CG2 3.38Å; N515-V518 PolarHBondContact O-N 3.3Å; N515-V518 PolarHBondContact OD1-N 3.13Å; N515-V518 VanDerWaalsContact OD1-N 3.08Å; V518-K520 PolarHBondContact O-N 3.3Å; V518-H521 PolarHBondContact O-N 3.5Å; V518-L522 HydrophobicContact CG1-CD1 3.69Å; V518-L522 HydrophobicContact CG1-CG 4.18Å; V518-L522 WeakPolarHBondContact O-CB 3.33Å; V518-L522 VanDerWaalsContact O-CG 3.31Å; V518-L522 WeakPolarHBondContact O-CG 3.24Å; V518-L522 PolarHBondContact O-N 3.44Å
519Q87.9Confident88.8Confident65 Ų6563.8 Ų63.830%0.30432%0.324SS..Hα-helixtrans-61.1-41.9177.5-158.5-169.199.500113.3A512 N515 E516 R517 K523A512-Q519 WeakPolarHBondContact O-CB 3.27Å; A512-Q519 WeakPolarHBondContact O-CG 3.41Å; A512-Q519 PolarHBondContact O-NE2 3.22Å; A512-Q519 VanDerWaalsContact O-NE2 3.08Å; N515-Q519 PolarHBondContact O-N 2.84Å; E516-Q519 PolarHBondContact O-N 2.93Å; R517-Q519 VanDerWaalsContact C-N 3.28Å; R517-Q519 PolarHBondContact O-N 3.35Å; Q519-K523 HydrophobicContact CG-CD 4.38Å; Q519-K523 WeakPolarHBondContact O-CB 3.32Å; Q519-K523 WeakPolarHBondContact O-CD 3.27Å; Q519-K523 VanDerWaalsContact O-CG 3.27Å; Q519-K523 WeakPolarHBondContact O-CG 3.42Å; Q519-K523 PolarHBondContact O-N 2.59Å; Q519-K523 VanDerWaalsContact O-N 3.09Å
520K88.7Confident88.8Confident119 Ų11964.4 Ų64.452%0.51733%0.334SS..Hα-helixtrans-67-44.2178.3-73.4162-170.2165.80111.4E516 R517 V518 K523 A524E516-K520 WeakPolarHBondContact O-CB 3.36Å; E516-K520 WeakPolarHBondContact O-CD 3.47Å; E516-K520 VanDerWaalsContact O-CG 3.23Å; E516-K520 WeakPolarHBondContact O-CG 3.29Å; E516-K520 PolarHBondContact O-N 3.36Å; E516-K520 WeakPolarHBondContact OE2-CE 3.33Å; E516-K520 IonicContact OE2-NZ 2.59Å; E516-K520 PolarHBondContact OE2-NZ 3.46Å; R517-K520 PolarHBondContact O-N 2.88Å; V518-K520 PolarHBondContact O-N 3.3Å; K520-K523 PolarHBondContact O-N 3.24Å; K520-A524 PolarHBondContact O-N 3.48Å; K520-A524 VanDerWaalsContact O-N 3.08Å
521H86.4Confident88.7Confident59 Ų5970.3 Ų70.327%0.27337%0.365SS..Hα-helixtrans-68.5-41.7179.1-71.3-146.6000111.7W175 E178 R517 V518 A524 L525W175-H521 HydrophobicContact CH2-CB 3.34Å; W175-H521 AromaticContact CH2-CG 3.9Å; W175-H521 AromaticContact CH2-ND1 3.86Å; W175-H521 HydrophobicContact CZ2-CB 3.38Å; W175-H521 HydrophobicContact CZ3-CB 4.31Å; W175-H521 AromaticContact CZ3-ND1 3.99Å; E178-H521 IonicContact OE1-CE1 3.09Å; E178-H521 PolarHBondContact OE1-CE1 2.91Å; E178-H521 VanDerWaalsContact OE1-CE1 3.25Å; E178-H521 IonicContact OE1-ND1 2.72Å; E178-H521 IonicContact OE2-CE1 3.15Å; E178-H521 PolarHBondContact OE2-CE1 2.91Å; E178-H521 VanDerWaalsContact OE2-CE1 3.3Å; E178-H521 IonicContact OE2-ND1 2.69Å; R517-H521 PolarHBondContact O-CD2 2.85Å; R517-H521 PolarHBondContact O-N 3.46Å; V518-H521 PolarHBondContact O-N 3.5Å; H521-A524 PolarHBondContact O-N 3.38Å; H521-L525 PolarHBondContact O-N 3.45Å
522L90.8Very high88.8Confident17 Ų1769.7 Ų69.79%0.08937%0.365CS..Hα-helixtrans-58.9-49.4173.7-76.2172.5000111E120 L124 A512 V518 A524 L525 T526E120-L522 HydrophobicContact CB-CD2 3.97Å; E120-L522 HydrophobicContact CG-CD2 4.12Å; L124-L522 HydrophobicContact CB-CD2 4.19Å; L124-L522 HydrophobicContact CD2-CD1 4.14Å; L124-L522 HydrophobicContact CD2-CD2 3.97Å; L124-L522 HydrophobicContact CD2-CG 4.2Å; A512-L522 HydrophobicContact CB-CD1 4.11Å; V518-L522 HydrophobicContact CG1-CD1 3.69Å; V518-L522 HydrophobicContact CG1-CG 4.18Å; V518-L522 WeakPolarHBondContact O-CB 3.33Å; V518-L522 VanDerWaalsContact O-CG 3.31Å; V518-L522 WeakPolarHBondContact O-CG 3.24Å; V518-L522 PolarHBondContact O-N 3.44Å; L522-A524 VanDerWaalsContact C-N 3.29Å; L522-A524 PolarHBondContact O-N 3.33Å; L522-L525 CarbonylContact O-C 3.59Å; L522-L525 PolarHBondContact O-N 3.17Å; L522-L525 VanDerWaalsContact O-N 3.09Å; L522-T526 PolarHBondContact O-N 3.26Å; L522-T526 PolarHBondContact O-OG1 2.65Å
523K91Very high89.2Confident127 Ų12771.1 Ų71.155%0.55236%0.363SS*.Hα-helixtrans-57.7-38.7176.8-76.4169.1174.3174.90113.1Q519 K520 S527Q519-K523 HydrophobicContact CG-CD 4.38Å; Q519-K523 WeakPolarHBondContact O-CB 3.32Å; Q519-K523 WeakPolarHBondContact O-CD 3.27Å; Q519-K523 VanDerWaalsContact O-CG 3.27Å; Q519-K523 WeakPolarHBondContact O-CG 3.42Å; Q519-K523 PolarHBondContact O-N 2.59Å; Q519-K523 VanDerWaalsContact O-N 3.09Å; K520-K523 PolarHBondContact O-N 3.24Å; K523-S527 PolarHBondContact O-N 2.92Å
524A90.8Very high89.5Confident58 Ų5869.1 Ų69.148%0.47936%0.355SS..Hα-helixtrans-63.8-48174.300000111.1K520 H521 L522 T526 S527 E528K520-A524 PolarHBondContact O-N 3.48Å; K520-A524 VanDerWaalsContact O-N 3.08Å; H521-A524 PolarHBondContact O-N 3.38Å; L522-A524 VanDerWaalsContact C-N 3.29Å; L522-A524 PolarHBondContact O-N 3.33Å; A524-T526 PolarHBondContact O-N 2.88Å; A524-S527 WeakPolarHBondContact O-CB 3.09Å; A524-S527 PolarHBondContact O-N 3.41Å; A524-E528 WeakPolarHBondContact O-CB 3.37Å; A524-E528 PolarHBondContact O-N 3.48Å
525L91.4Very high89.6Confident11 Ų1169.7 Ų69.76%0.05836%0.359CS..Hα-helixtrans-64.4-38178.5-176.160.6000112.7E120 V123 R171 H521 L522 S527 E528 L529E120-L525 HydrophobicContact CB-CB 4.35Å; E120-L525 HydrophobicContact CB-CD2 4.05Å; E120-L525 HydrophobicContact CB-CG 4.12Å; V123-L525 HydrophobicContact CB-CD2 3.8Å; V123-L525 HydrophobicContact CG1-CD2 3.78Å; V123-L525 HydrophobicContact CG2-CD2 4.31Å; R171-L525 HydrophobicContact CG-CD1 4.43Å; H521-L525 PolarHBondContact O-N 3.45Å; L522-L525 CarbonylContact O-C 3.59Å; L522-L525 PolarHBondContact O-N 3.17Å; L522-L525 VanDerWaalsContact O-N 3.09Å; L525-S527 VanDerWaalsContact C-N 3.33Å; L525-S527 PolarHBondContact O-N 3.41Å; L525-E528 PolarHBondContact O-N 2.97Å; L525-L529 HydrophobicContact CD1-CD1 4.11Å; L525-L529 HydrophobicContact CD1-CD2 4.39Å; L525-L529 HydrophobicContact CD1-CG 3.93Å; L525-L529 HydrophobicContact CG-CD1 3.96Å; L525-L529 HydrophobicContact CG-CG 4.22Å; L525-L529 WeakPolarHBondContact O-CB 3.47Å; L525-L529 VanDerWaalsContact O-CG 3.29Å; L525-L529 WeakPolarHBondContact O-CG 3.41Å; L525-L529 PolarHBondContact O-N 2.79Å
526T92.9Very high89.9Confident58 Ų5871.1 Ų71.136%0.35638%0.375SS..Hα-helixtrans-56.9-47.1171.6-48.90000111.1E120 L522 A524 E528 A530E120-T526 WeakPolarHBondContact OE1-CB 3.39Å; E120-T526 WeakPolarHBondContact OE1-CG2 3.49Å; E120-T526 PolarHBondContact OE1-OG1 3.23Å; L522-T526 PolarHBondContact O-N 3.26Å; L522-T526 PolarHBondContact O-OG1 2.65Å; A524-T526 PolarHBondContact O-N 2.88Å; T526-E528 VanDerWaalsContact C-N 3.32Å; T526-E528 PolarHBondContact O-N 3.29Å; T526-A530 WeakPolarHBondContact O-CB 3.12Å; T526-A530 PolarHBondContact O-N 3Å
527S92.5Very high90.4Very high81 Ų8169.4 Ų69.457%0.56637%0.365SS*.Hα-helixtrans-66.5-34.2179.2-168.60000112.3K523 A524 L525 N531K523-S527 PolarHBondContact O-N 2.92Å; A524-S527 WeakPolarHBondContact O-CB 3.09Å; A524-S527 PolarHBondContact O-N 3.41Å; L525-S527 VanDerWaalsContact C-N 3.33Å; L525-S527 PolarHBondContact O-N 3.41Å; S527-N531 PolarHBondContact O-ND2 2.95Å
528E90.8Very high90.7Very high81 Ų8166.7 Ų66.738%0.37936%0.357SS..Hα-helixtrans-70.6-52.5177.7-161.9-161.1138.600111.6R171 A524 L525 T526 A530 N531R171-E528 IonicContact CZ-OE1 2.62Å; R171-E528 IonicContact NE-OE1 2.62Å; R171-E528 PolarHBondContact NE-OE1 3.25Å; R171-E528 IonicContact NH2-OE1 2.87Å; R171-E528 PolarHBondContact NH2-OE1 3.24Å; A524-E528 WeakPolarHBondContact O-CB 3.37Å; A524-E528 PolarHBondContact O-N 3.48Å; L525-E528 PolarHBondContact O-N 2.97Å; T526-E528 VanDerWaalsContact C-N 3.32Å; T526-E528 PolarHBondContact O-N 3.29Å; E528-A530 PolarHBondContact O-N 2.88Å; E528-N531 WeakPolarHBondContact O-CB 3.31Å; E528-N531 PolarHBondContact O-N 3Å; E528-N531 VanDerWaalsContact O-N 3.15Å; E528-N531 PolarHBondContact O-ND2 3.04Å; E528-N531 VanDerWaalsContact O-ND2 3.09Å
529L92.7Very high91.1Very high5 Ų568.5 Ų68.53%0.02637%0.368CS..Hα-helixtrans-62-30.3178.9-68.5178.1000112.3P119 H161 L163 W168 L525 N531 A532 R533P119-L529 HydrophobicContact CB-CD1 3.75Å; H161-L529 PolarHBondContact CD2-O 2.79Å; L163-L529 HydrophobicContact CD1-CD2 3.67Å; W168-L529 HydrophobicContact CH2-CD1 4.36Å; W168-L529 HydrophobicContact CH2-CD2 3.75Å; W168-L529 HydrophobicContact CZ3-CD1 4.27Å; W168-L529 HydrophobicContact CZ3-CD2 3.69Å; L525-L529 HydrophobicContact CD1-CD1 4.11Å; L525-L529 HydrophobicContact CD1-CD2 4.39Å; L525-L529 HydrophobicContact CD1-CG 3.93Å; L525-L529 HydrophobicContact CG-CD1 3.96Å; L525-L529 HydrophobicContact CG-CG 4.22Å; L525-L529 WeakPolarHBondContact O-CB 3.47Å; L525-L529 VanDerWaalsContact O-CG 3.29Å; L525-L529 WeakPolarHBondContact O-CG 3.41Å; L525-L529 PolarHBondContact O-N 2.79Å; L529-N531 PolarHBondContact O-N 3.16Å; L529-A532 PolarHBondContact O-N 2.89Å; L529-R533 PolarHBondContact O-N 3.36Å; L529-R533 VanDerWaalsContact O-N 3.07Å
530A91Very high91.4Very high62 Ų6267.9 Ų67.951%0.51237%0.374SS..Hα-helixtrans-54.8-35.2174.900000113T526 E528 A532 R533T526-A530 WeakPolarHBondContact O-CB 3.12Å; T526-A530 PolarHBondContact O-N 3Å; E528-A530 PolarHBondContact O-N 2.88Å; A530-A532 VanDerWaalsContact C-N 3.3Å; A530-A532 PolarHBondContact O-N 2.88Å; A530-R533 PolarHBondContact O-N 3.2Å
531N89.5Confident91.7Very high142 Ų14264 Ų6476%0.75936%0.359SS*.Hα-helixtrans-70.5-26.6178.3-55.1-67.2000113.1S527 E528 L529S527-N531 PolarHBondContact O-ND2 2.95Å; E528-N531 WeakPolarHBondContact O-CB 3.31Å; E528-N531 PolarHBondContact O-N 3Å; E528-N531 VanDerWaalsContact O-N 3.15Å; E528-N531 PolarHBondContact O-ND2 3.04Å; E528-N531 VanDerWaalsContact O-ND2 3.09Å; L529-N531 PolarHBondContact O-N 3.16Å
532A90.7Very high92.1Very high15 Ų1561.4 Ų61.412%0.12435%0.347CS..Hα-helixtrans-93.4-10.2178.700000113H161 K162 L163 L529 A530H161-A532 CarbonylContact C-O 3.5Å; H161-A532 WeakPolarHBondContact CA-O 3.39Å; H161-A532 HydrophobicContact CB-CB 4.24Å; K162-A532 PolarHBondContact N-O 2.85Å; L163-A532 HydrophobicContact CD1-CB 4.35Å; L163-A532 HydrophobicContact CD2-CB 3.84Å; L163-A532 HydrophobicContact CG-CB 3.86Å; L529-A532 PolarHBondContact O-N 2.89Å; A530-A532 VanDerWaalsContact C-N 3.3Å; A530-A532 PolarHBondContact O-N 2.88Å
533R92.3Very high92.3Very high63 Ų6366.1 Ų66.124%0.23837%0.37CS..BIsolated β-bridgetrans-66.4137.6-169-160.8175-165.9160.79.8112.5Q160 L529 A530 D542Q160-R533 CarbonylContact O-C 3.55Å; Q160-R533 WeakPolarHBondContact O-CA 3.36Å; Q160-R533 WeakPolarHBondContact O-CG 3.43Å; L529-R533 PolarHBondContact O-N 3.36Å; L529-R533 VanDerWaalsContact O-N 3.07Å; A530-R533 PolarHBondContact O-N 3.2Å; R533-D542 IonicContact NH2-OD1 2.61Å; R533-D542 PolarHBondContact NH2-OD1 3.14Å
534D92Very high92.5Very high36 Ų3661.5 Ų61.519%0.19335%0.351CS..  trans-93.9107.8166.3-158-60.1000110.5Q160 K162 S536 K537Q160-D534 PolarHBondContact O-N 3.37Å; K162-D534 WeakPolarHBondContact CE-OD2 3.43Å; K162-D534 IonicContact NZ-OD2 2.65Å; K162-D534 PolarHBondContact NZ-OD2 2.78Å; D534-S536 PolarHBondContact O-N 2.74Å; D534-S536 VanDerWaalsContact OD1-CB 3.28Å; D534-S536 WeakPolarHBondContact OD1-CB 3.35Å; D534-S536 PolarHBondContact OD1-N 3.02Å; D534-S536 PolarHBondContact OD1-OG 3.11Å; D534-K537 HydrophobicContact CB-CB 4.36Å; D534-K537 HydrophobicContact CB-CG 4.17Å; D534-K537 PolarHBondContact O-N 3.31Å
535E89.5Confident92.7Very high119 Ų11960 Ų6056%0.55633%0.334SS*.G310 helixtrans-59-28.3178.8-70.9-67.5117.700113.1K537 K538E535-K537 PolarHBondContact O-N 3.41Å; E535-K538 PolarHBondContact O-N 3.07Å; E535-K538 WeakPolarHBondContact OE1-CE 3.41Å; E535-K538 IonicContact OE1-NZ 2.97Å; E535-K538 PolarHBondContact OE1-NZ 3.48Å; E535-K538 WeakPolarHBondContact OE2-CE 3.37Å; E535-K538 IonicContact OE2-NZ 2.82Å; E535-K538 PolarHBondContact OE2-NZ 3.3Å
536S92.2Very high92.8Very high101 Ų10162.2 Ų62.271%0.70635%0.354SS*.G310 helixtrans-72-11.9177.974.90000113.7D534D534-S536 PolarHBondContact O-N 2.74Å; D534-S536 VanDerWaalsContact OD1-CB 3.28Å; D534-S536 WeakPolarHBondContact OD1-CB 3.35Å; D534-S536 PolarHBondContact OD1-N 3.02Å; D534-S536 PolarHBondContact OD1-OG 3.11Å
537K94Very high92.9Very high91 Ų9162.7 Ų62.740%0.39635%0.352SS..G310 helixtrans-102.12.9-177.7-69.9-77.2-166.7169.90113.9E159 Q160 D534 E535 T539E159-K537 HydrophobicContact CB-CD 4.39Å; E159-K537 WeakPolarHBondContact O-CG 3.19Å; E159-K537 IonicContact OE2-NZ 3.63Å; E159-K537 PolarHBondContact OE2-NZ 2.91Å; Q160-K537 HydrophobicContact CB-CB 4.5Å; Q160-K537 HydrophobicContact CG-CB 3.76Å; Q160-K537 WeakPolarHBondContact CG-O 3.41Å; Q160-K537 PolarHBondContact NE2-O 3.49Å; D534-K537 HydrophobicContact CB-CB 4.36Å; D534-K537 HydrophobicContact CB-CG 4.17Å; D534-K537 PolarHBondContact O-N 3.31Å; E535-K537 PolarHBondContact O-N 3.41Å; K537-T539 PolarHBondContact O-N 2.7Å
538K92Very high93Very high78 Ų7859.1 Ų59.134%0.33933%0.327SS..  trans-62.5131.6175.5-78.1-179.7171.1168.80111.5E535E535-K538 PolarHBondContact O-N 3.07Å; E535-K538 WeakPolarHBondContact OE1-CE 3.41Å; E535-K538 IonicContact OE1-NZ 2.97Å; E535-K538 PolarHBondContact OE1-NZ 3.48Å; E535-K538 WeakPolarHBondContact OE2-CE 3.37Å; E535-K538 IonicContact OE2-NZ 2.82Å; E535-K538 PolarHBondContact OE2-NZ 3.3Å
539T93.9Very high93.1Very high50 Ų5060.8 Ų60.831%0.30734%0.336SS..  trans-93.8168.9173.473.60000111.5R156 K537 N541 D542 M543R156-T539 HydrophobicContact CG-CG2 4.17Å; K537-T539 PolarHBondContact O-N 2.7Å; T539-N541 VanDerWaalsContact C-N 3.26Å; T539-N541 PolarHBondContact O-N 2.97Å; T539-N541 PolarHBondContact OG1-N 3.45Å; T539-D542 VanDerWaalsContact CB-OD2 3.31Å; T539-D542 WeakPolarHBondContact CB-OD2 3.3Å; T539-D542 PolarHBondContact N-OD2 2.95Å; T539-D542 PolarHBondContact O-N 3.02Å; T539-D542 VanDerWaalsContact O-N 3.16Å; T539-D542 PolarHBondContact OG1-N 3.34Å; T539-D542 PolarHBondContact OG1-OD2 2.85Å; T539-M543 PolarHBondContact O-N 2.75Å
540A93.8Very high93.1Very high52 Ų5269.4 Ų69.443%0.4337%0.368SS..Hα-helixtrans-54.8-42.5171.700000112.2D542 M543 I544A540-D542 VanDerWaalsContact C-N 3.33Å; A540-D542 PolarHBondContact O-N 3.16Å; A540-M543 PolarHBondContact O-N 2.93Å; A540-I544 WeakPolarHBondContact O-CD1 3.47Å; A540-I544 VanDerWaalsContact O-CG1 3.3Å; A540-I544 WeakPolarHBondContact O-CG1 3.44Å; A540-I544 PolarHBondContact O-N 3.48Å
541N95.2Very high93.2Very high38 Ų3870.6 Ų70.620%0.20337%0.365CS..Hα-helixtrans-62.7-38178.1-74.610.1000112.1Y116 L234 T539 M543 I544 H545Y116-N541 HydrophobicContact CD2-CB 3.48Å; Y116-N541 VanDerWaalsContact CD2-CB 3.48Å; Y116-N541 HydrophobicContact CE2-CB 3.71Å; Y116-N541 HydrophobicContact CG-CB 4.04Å; L234-N541 HydrophobicContact CD1-CB 3.89Å; L234-N541 WeakPolarHBondContact CD1-O 3.38Å; T539-N541 VanDerWaalsContact C-N 3.26Å; T539-N541 PolarHBondContact O-N 2.97Å; T539-N541 PolarHBondContact OG1-N 3.45Å; N541-M543 VanDerWaalsContact C-N 3.33Å; N541-M543 PolarHBondContact O-N 3.34Å; N541-I544 PolarHBondContact O-N 3.39Å; N541-H545 VanDerWaalsContact O-CB 3.26Å; N541-H545 WeakPolarHBondContact O-CB 3.41Å; N541-H545 PolarHBondContact O-N 2.87Å
542D95Very high93.3Very high5 Ų566.3 Ų66.33%0.02736%0.355CS..Hα-helixtrans-66.5-35.2176.7-57.6-71.8000112.5Y116 R156 Q160 R533 T539 A540 A546Y116-D542 WeakPolarHBondContact CE2-OD1 3.13Å; Y116-D542 PolarHBondContact OH-OD1 3.45Å; R156-D542 IonicContact NH1-OD1 2.89Å; R156-D542 PolarHBondContact NH1-OD1 3.36Å; R156-D542 VanDerWaalsContact NH1-OD1 3.14Å; Q160-D542 PolarHBondContact NE2-OD2 3.32Å; Q160-D542 PolarHBondContact OE1-OD1 3.22Å; R533-D542 IonicContact NH2-OD1 2.61Å; R533-D542 PolarHBondContact NH2-OD1 3.14Å; T539-D542 VanDerWaalsContact CB-OD2 3.31Å; T539-D542 WeakPolarHBondContact CB-OD2 3.3Å; T539-D542 PolarHBondContact N-OD2 2.95Å; T539-D542 PolarHBondContact O-N 3.02Å; T539-D542 VanDerWaalsContact O-N 3.16Å; T539-D542 PolarHBondContact OG1-N 3.34Å; T539-D542 PolarHBondContact OG1-OD2 2.85Å; A540-D542 VanDerWaalsContact C-N 3.33Å; A540-D542 PolarHBondContact O-N 3.16Å; D542-A546 WeakPolarHBondContact O-CB 3.26Å; D542-A546 PolarHBondContact O-N 2.94Å
543M94.7Very high93.4Very high116 Ų11669 Ų6957%0.57136%0.361SS*.Hα-helixtrans-71.2-42176.3-65.3-172.9-69.600111.7T539 A540 N541 A546 E547T539-M543 PolarHBondContact O-N 2.75Å; A540-M543 PolarHBondContact O-N 2.93Å; N541-M543 VanDerWaalsContact C-N 3.33Å; N541-M543 PolarHBondContact O-N 3.34Å; M543-A546 PolarHBondContact O-N 3.42Å; M543-E547 PolarHBondContact O-N 3.26Å
544I96Very high93.5Very high30 Ų3067.2 Ų67.215%0.15436%0.357CS..Hα-helixtrans-66.1-45.6177.2-66160.1000110.9D232 L234 T235 A540 N541 E547 N548D232-I544 HydrophobicContact CB-CD1 4.02Å; L234-I544 HydrophobicContact CB-CG2 3.92Å; L234-I544 HydrophobicContact CD1-CB 4.2Å; L234-I544 HydrophobicContact CD1-CG2 4.09Å; L234-I544 HydrophobicContact CG-CG2 4.49Å; T235-I544 VanDerWaalsContact OG1-CG2 3.23Å; T235-I544 WeakPolarHBondContact OG1-CG2 3.35Å; A540-I544 WeakPolarHBondContact O-CD1 3.47Å; A540-I544 VanDerWaalsContact O-CG1 3.3Å; A540-I544 WeakPolarHBondContact O-CG1 3.44Å; A540-I544 PolarHBondContact O-N 3.48Å; N541-I544 PolarHBondContact O-N 3.39Å; I544-E547 PolarHBondContact O-N 2.99Å; I544-N548 PolarHBondContact O-N 2.58Å
545H94.9Very high93.6Very high27 Ų2766.5 Ų66.513%0.12535%0.352CS..Hα-helixtrans-63.6-41.6177-177.877.8000111.6Y116 E199 L234 N541 E547 N548 M549Y116-H545 HydrophobicContact CE1-CB 3.67Å; Y116-H545 AromaticContact CE1-CG 3.67Å; E199-H545 IonicContact OE1-CE1 2.66Å; E199-H545 IonicContact OE1-ND1 3.44Å; E199-H545 PolarHBondContact OE1-ND1 2.99Å; E199-H545 VanDerWaalsContact OE1-ND1 3.09Å; L234-H545 HydrophobicContact CD1-CB 4.06Å; N541-H545 VanDerWaalsContact O-CB 3.26Å; N541-H545 WeakPolarHBondContact O-CB 3.41Å; N541-H545 PolarHBondContact O-N 2.87Å; H545-E547 VanDerWaalsContact C-N 3.31Å; H545-E547 PolarHBondContact O-N 2.94Å; H545-N548 PolarHBondContact O-N 2.7Å; H545-M549 WeakPolarHBondContact O-CB 3.4Å; H545-M549 VanDerWaalsContact O-CG 3.3Å; H545-M549 WeakPolarHBondContact O-CG 3.48Å; H545-M549 PolarHBondContact O-N 2.76Å
546A93.5Very high93.8Very high56 Ų5661.2 Ų61.246%0.46333%0.327SS..Hα-helixtrans-61.2-36.8173.600000112.8D542 M543 R550D542-A546 WeakPolarHBondContact O-CB 3.26Å; D542-A546 PolarHBondContact O-N 2.94Å; M543-A546 PolarHBondContact O-N 3.42Å; A546-R550 WeakPolarHBondContact O-CB 3.16Å; A546-R550 PolarHBondContact O-N 3.42Å
547E95.4Very high93.9Very high68 Ų6859.6 Ų59.632%0.31831%0.307SS..Hα-helixtrans-68.5-43.5174.2-179.659.8-166.700112.2M543 I544 H545 M549 R550 L551M543-E547 PolarHBondContact O-N 3.26Å; I544-E547 PolarHBondContact O-N 2.99Å; H545-E547 VanDerWaalsContact C-N 3.31Å; H545-E547 PolarHBondContact O-N 2.94Å; E547-M549 PolarHBondContact O-N 2.95Å; E547-R550 WeakPolarHBondContact O-CB 3.17Å; E547-R550 PolarHBondContact O-N 2.93Å; E547-R550 IonicContact OE1-CZ 2.7Å; E547-R550 IonicContact OE1-NE 2.65Å; E547-R550 IonicContact OE1-NH2 3.44Å; E547-R550 PolarHBondContact OE1-NH2 2.9Å; E547-R550 IonicContact OE2-CZ 3.86Å; E547-R550 IonicContact OE2-NE 3.33Å; E547-R550 PolarHBondContact OE2-NE 3.38Å; E547-R550 IonicContact OE2-NH2 3.87Å; E547-R550 PolarHBondContact OE2-NH2 3.27Å; E547-L551 HydrophobicContact CG-CD1 4.13Å; E547-L551 WeakPolarHBondContact O-CG 3.39Å; E547-L551 PolarHBondContact O-N 3Å; E547-L551 WeakPolarHBondContact OE1-CD1 3.34Å
548N94.9Very high94Very high6 Ų655.8 Ų55.83%0.03229%0.291CS..Hα-helixtrans-61.1-44.8175.6-76.3-30.2000111.3T235 I544 H545 R550 L551 G552 R553T235-N548 WeakPolarHBondContact CG2-OD1 3.21Å; T235-N548 PolarHBondContact OG1-ND2 3.17Å; I544-N548 PolarHBondContact O-N 2.58Å; H545-N548 PolarHBondContact O-N 2.7Å; N548-R550 PolarHBondContact O-N 3.47Å; N548-L551 CarbonylContact O-C 3.53Å; N548-L551 PolarHBondContact O-N 3.11Å; N548-L551 VanDerWaalsContact O-N 3.12Å; N548-G552 PolarHBondContact O-N 2.83Å; N548-G552 VanDerWaalsContact O-N 3.14Å; N548-R553 HydrophobicContact CB-CB 4.08Å; N548-R553 WeakPolarHBondContact O-CB 3.38Å; N548-R553 PolarHBondContact O-N 3.32Å
549M91.5Very high94.1Very high117 Ų11752.7 Ų52.758%0.57628%0.279SS*.Hα-helixtrans-61.4-40.2174-70.1-66.1-75.500112.2H545 E547 L551 G552H545-M549 WeakPolarHBondContact O-CB 3.4Å; H545-M549 VanDerWaalsContact O-CG 3.3Å; H545-M549 WeakPolarHBondContact O-CG 3.48Å; H545-M549 PolarHBondContact O-N 2.76Å; E547-M549 PolarHBondContact O-N 2.95Å; M549-L551 VanDerWaalsContact C-N 3.27Å; M549-L551 PolarHBondContact O-N 3.45Å; M549-G552 PolarHBondContact O-N 3.14Å; M549-G552 VanDerWaalsContact O-N 3.11Å
550R93.7Very high94.1Very high186 Ų18653.4 Ų53.470%0.70228%0.276SS*.Hα-helixtrans-62.2-33.7174-173.7177.672.6123.5-1.4112.7A546 E547 N548 G552A546-R550 WeakPolarHBondContact O-CB 3.16Å; A546-R550 PolarHBondContact O-N 3.42Å; E547-R550 WeakPolarHBondContact O-CB 3.17Å; E547-R550 PolarHBondContact O-N 2.93Å; E547-R550 IonicContact OE1-CZ 2.7Å; E547-R550 IonicContact OE1-NE 2.65Å; E547-R550 IonicContact OE1-NH2 3.44Å; E547-R550 PolarHBondContact OE1-NH2 2.9Å; E547-R550 IonicContact OE2-CZ 3.86Å; E547-R550 IonicContact OE2-NE 3.33Å; E547-R550 PolarHBondContact OE2-NE 3.38Å; E547-R550 IonicContact OE2-NH2 3.87Å; E547-R550 PolarHBondContact OE2-NH2 3.27Å; N548-R550 PolarHBondContact O-N 3.47Å; R550-G552 VanDerWaalsContact C-N 3.3Å
551L93.4Very high94Very high87 Ų8755.8 Ų55.846%0.45528%0.278SS..THydrogen-bonded Turntrans-86.25176.4-64.5175.3000113.6E547 N548 M549 R553E547-L551 HydrophobicContact CG-CD1 4.13Å; E547-L551 WeakPolarHBondContact O-CG 3.39Å; E547-L551 PolarHBondContact O-N 3Å; E547-L551 WeakPolarHBondContact OE1-CD1 3.34Å; N548-L551 CarbonylContact O-C 3.53Å; N548-L551 PolarHBondContact O-N 3.11Å; N548-L551 VanDerWaalsContact O-N 3.12Å; M549-L551 VanDerWaalsContact C-N 3.27Å; M549-L551 PolarHBondContact O-N 3.45Å; L551-R553 HydrophobicContact CB-CG 4.26Å; L551-R553 VanDerWaalsContact CD1-NH1 3.31Å; L551-R553 PolarHBondContact O-N 3.04Å
552G91.1Very high93.9Very high52 Ų5254.9 Ų54.954%0.53627%0.273SS..THydrogen-bonded Turntrans66.723.1-178.200000114N548 M549 R550 K557N548-G552 PolarHBondContact O-N 2.83Å; N548-G552 VanDerWaalsContact O-N 3.14Å; M549-G552 PolarHBondContact O-N 3.14Å; M549-G552 VanDerWaalsContact O-N 3.11Å; R550-G552 VanDerWaalsContact C-N 3.3Å; G552-K557 WeakPolarHBondContact O-CD 3.43Å
553R92.7Very high93.8Very high70 Ų7055.3 Ų55.326%0.26427%0.274SS..  trans-92.9137.8179.6-70.5-175.7176.7136.84.3111.9N548 L551 Q561N548-R553 HydrophobicContact CB-CB 4.08Å; N548-R553 WeakPolarHBondContact O-CB 3.38Å; N548-R553 PolarHBondContact O-N 3.32Å; L551-R553 HydrophobicContact CB-CG 4.26Å; L551-R553 VanDerWaalsContact CD1-NH1 3.31Å; L551-R553 PolarHBondContact O-N 3.04Å; R553-Q561 VanDerWaalsContact NE-OE1 3.08Å
554D93.5Very high93.5Very high26 Ų2656.3 Ų56.314%0.13928%0.277CS..  trans-121.7-177.7160.459.762.8000109.6T510 Y556 K557 T558T510-D554 HydrophobicContact CG2-CB 4.06Å; D554-Y556 PolarHBondContact O-N 3.19Å; D554-Y556 WeakPolarHBondContact OD1-CA 3.32Å; D554-Y556 PolarHBondContact OD1-N 2.83Å; D554-K557 PolarHBondContact OD1-N 2.6Å; D554-K557 WeakPolarHBondContact OD2-CD 3.49Å; D554-K557 WeakPolarHBondContact OD2-CE 3.39Å; D554-K557 VanDerWaalsContact OD2-CG 3.29Å; D554-K557 WeakPolarHBondContact OD2-CG 3.27Å; D554-K557 IonicContact OD2-NZ 2.73Å; D554-K557 PolarHBondContact OD2-NZ 3.35Å; D554-T558 VanDerWaalsContact O-CB 3.27Å; D554-T558 WeakPolarHBondContact O-CB 3.4Å; D554-T558 PolarHBondContact O-N 3.12Å; D554-T558 PolarHBondContact O-OG1 3.13Å
555K94.4Very high92.8Very high21 Ų2157.3 Ų57.39%0.09130%0.295CS..Hα-helixtrans-49.7-51.5176.9-177172-172.8166.60113.2Q196 D197 L198 T558 L559Q196-K555 PolarHBondContact O-NZ 3.22Å; D197-K555 WeakPolarHBondContact O-CB 3.45Å; D197-K555 VanDerWaalsContact O-CD 3.22Å; D197-K555 WeakPolarHBondContact O-CD 3.46Å; L198-K555 PolarHBondContact O-NZ 3.48Å; K555-T558 PolarHBondContact O-N 3.44Å; K555-L559 HydrophobicContact CG-CD1 4.1Å; K555-L559 WeakPolarHBondContact O-CB 3.46Å; K555-L559 VanDerWaalsContact O-CG 3.24Å; K555-L559 WeakPolarHBondContact O-CG 3.43Å; K555-L559 PolarHBondContact O-N 3.48Å
556Y94.7Very high92.5Very high9 Ų959.9 Ų59.94%0.03531%0.31CS..Hα-helixtrans-79.9-36.2-172.9-54.1-59.2000112.5D197 L223 R508 T510 D554 T558 L559 R560D197-Y556 WeakPolarHBondContact OD1-CE2 3.45Å; D197-Y556 PolarHBondContact OD1-OH 3.08Å; L223-Y556 HydrophobicContact CD1-CE1 4.24Å; R508-Y556 HydrophobicContact CB-CD1 4.18Å; R508-Y556 HydrophobicContact CB-CD2 4.4Å; R508-Y556 HydrophobicContact CB-CE1 4.5Å; R508-Y556 HydrophobicContact CB-CG 4.15Å; R508-Y556 VanDerWaalsContact CD-CE1 3.48Å; R508-Y556 HydrophobicContact CG-CD1 4.21Å; R508-Y556 HydrophobicContact CG-CD2 3.99Å; R508-Y556 HydrophobicContact CG-CE1 4.1Å; R508-Y556 HydrophobicContact CG-CE2 3.84Å; R508-Y556 HydrophobicContact CG-CG 4.17Å; R508-Y556 PolarHBondContact NE-OH 3.22Å; R508-Y556 VanDerWaalsContact O-CB 3.26Å; R508-Y556 WeakPolarHBondContact O-CB 3.47Å; T510-Y556 HydrophobicContact CG2-CD2 3.82Å; T510-Y556 HydrophobicContact CG2-CE2 3.93Å; D554-Y556 PolarHBondContact O-N 3.19Å; D554-Y556 WeakPolarHBondContact OD1-CA 3.32Å; D554-Y556 PolarHBondContact OD1-N 2.83Å; Y556-T558 VanDerWaalsContact C-N 3.33Å; Y556-L559 HydrophobicContact CD1-CD1 4.37Å; Y556-L559 PolarHBondContact O-N 3.42Å; Y556-R560 WeakPolarHBondContact O-CB 3.5Å; Y556-R560 WeakPolarHBondContact O-CG 3.29Å; Y556-R560 PolarHBondContact O-N 2.93Å; Y556-R560 PolarHBondContact O-NE 3.43Å
557K94.7Very high92.3Very high67 Ų6757.9 Ų57.929%0.29129%0.292SS..Hα-helixtrans-61.8-40.6169.9-69.5-178.2-176.972.50111.5E513 G552 D554 Q561E513-K557 IonicContact OE1-NZ 3.46Å; E513-K557 PolarHBondContact OE1-NZ 3.01Å; E513-K557 IonicContact OE2-NZ 2.9Å; E513-K557 PolarHBondContact OE2-NZ 3.29Å; G552-K557 WeakPolarHBondContact O-CD 3.43Å; D554-K557 PolarHBondContact OD1-N 2.6Å; D554-K557 WeakPolarHBondContact OD2-CD 3.49Å; D554-K557 WeakPolarHBondContact OD2-CE 3.39Å; D554-K557 VanDerWaalsContact OD2-CG 3.29Å; D554-K557 WeakPolarHBondContact OD2-CG 3.27Å; D554-K557 IonicContact OD2-NZ 2.73Å; D554-K557 PolarHBondContact OD2-NZ 3.35Å; K557-Q561 PolarHBondContact O-N 3.3Å
558T94.7Very high92.1Very high10 Ų1059.2 Ų59.26%0.06130%0.297CS..Hα-helixtrans-66.5-48.6175.5-54.90000111.2T235 P236 D554 K555 Y556 R560 Q561 I562T235-T558 HydrophobicContact CG2-CG2 3.95Å; P236-T558 HydrophobicContact CG-CG2 4.34Å; D554-T558 VanDerWaalsContact O-CB 3.27Å; D554-T558 WeakPolarHBondContact O-CB 3.4Å; D554-T558 PolarHBondContact O-N 3.12Å; D554-T558 PolarHBondContact O-OG1 3.13Å; K555-T558 PolarHBondContact O-N 3.44Å; Y556-T558 VanDerWaalsContact C-N 3.33Å; T558-R560 PolarHBondContact O-N 2.84Å; T558-Q561 WeakPolarHBondContact O-CB 3.41Å; T558-Q561 PolarHBondContact O-N 2.97Å; T558-Q561 VanDerWaalsContact O-N 3.08Å; T558-I562 WeakPolarHBondContact O-CG1 3.25Å; T558-I562 PolarHBondContact O-N 2.64Å
559L94.2Very high92Very high13 Ų1364.8 Ų64.87%0.06832%0.322CS..Hα-helixtrans-58.7-43.4176.9-74.2170000112.2L223 N226 K555 Y556 Q561 I562 R563L223-L559 HydrophobicContact CD1-CD1 3.67Å; N226-L559 WeakPolarHBondContact OD1-CD2 3.41Å; K555-L559 HydrophobicContact CG-CD1 4.1Å; K555-L559 WeakPolarHBondContact O-CB 3.46Å; K555-L559 VanDerWaalsContact O-CG 3.24Å; K555-L559 WeakPolarHBondContact O-CG 3.43Å; K555-L559 PolarHBondContact O-N 3.48Å; Y556-L559 HydrophobicContact CD1-CD1 4.37Å; Y556-L559 PolarHBondContact O-N 3.42Å; L559-Q561 PolarHBondContact O-N 2.98Å; L559-I562 HydrophobicContact CD2-CD1 4.42Å; L559-I562 PolarHBondContact O-N 2.85Å; L559-R563 WeakPolarHBondContact O-CB 3.5Å; L559-R563 VanDerWaalsContact O-CD 3.3Å; L559-R563 WeakPolarHBondContact O-CD 3.35Å; L559-R563 WeakPolarHBondContact O-CG 3.44Å; L559-R563 PolarHBondContact O-N 3.21Å
560R93.3Very high92.1Very high66 Ų6659.6 Ų59.625%0.24930%0.297CS..Hα-helixtrans-56.3-48.7170.9-81.2-177.8-80-90.61.7111.5E506 R508 Y556 T558 I562 R563 Q564E506-R560 VanDerWaalsContact O-CD 3.23Å; E506-R560 WeakPolarHBondContact O-CD 3.46Å; E506-R560 WeakPolarHBondContact O-CG 3.29Å; E506-R560 PolarHBondContact O-NH1 3.38Å; R508-R560 PolarHBondContact O-NH1 2.91Å; R508-R560 PolarHBondContact O-NH2 2.94Å; Y556-R560 WeakPolarHBondContact O-CB 3.5Å; Y556-R560 WeakPolarHBondContact O-CG 3.29Å; Y556-R560 PolarHBondContact O-N 2.93Å; Y556-R560 PolarHBondContact O-NE 3.43Å; T558-R560 PolarHBondContact O-N 2.84Å; R560-I562 PolarHBondContact O-N 3.08Å; R560-R563 PolarHBondContact O-N 2.89Å; R560-Q564 WeakPolarHBondContact O-CG 3.4Å; R560-Q564 PolarHBondContact O-N 2.91Å
561Q93.3Very high92.1Very high101 Ų10150.9 Ų50.947%0.47226%0.264SS..Hα-helixtrans-59.1-48.7-178.6-169.6-173.2-20.700111.7R553 K557 T558 L559 R563 Q564R553-Q561 VanDerWaalsContact NE-OE1 3.08Å; K557-Q561 PolarHBondContact O-N 3.3Å; T558-Q561 WeakPolarHBondContact O-CB 3.41Å; T558-Q561 PolarHBondContact O-N 2.97Å; T558-Q561 VanDerWaalsContact O-N 3.08Å; L559-Q561 PolarHBondContact O-N 2.98Å; Q561-R563 VanDerWaalsContact C-N 3.28Å; Q561-R563 PolarHBondContact O-N 2.97Å; Q561-Q564 PolarHBondContact O-N 3.48Å
562I93Very high92Very high19 Ų1950.7 Ų50.710%0.09726%0.263CS..Hα-helixtrans-82.61.1-173.671.1172.8000115P236 K237 G239 T558 L559 R560 R570P236-I562 HydrophobicContact CB-CD1 3.5Å; P236-I562 HydrophobicContact CG-CD1 3.54Å; K237-I562 WeakPolarHBondContact O-CB 3.41Å; K237-I562 WeakPolarHBondContact O-CG2 3.43Å; G239-I562 PolarHBondContact N-O 3.31Å; T558-I562 WeakPolarHBondContact O-CG1 3.25Å; T558-I562 PolarHBondContact O-N 2.64Å; L559-I562 HydrophobicContact CD2-CD1 4.42Å; L559-I562 PolarHBondContact O-N 2.85Å; R560-I562 PolarHBondContact O-N 3.08Å; I562-R570 WeakPolarHBondContact O-CD 3.41Å
563R92.8Very high92.1Very high14 Ų1452.2 Ų52.25%0.05326%0.256CS..Hα-helixtrans-105.3-9.4173.7-69.1172.9180-155.8-8.1112.6L223 E506 L559 R560 Q561 R570L223-R563 VanDerWaalsContact C-NH2 3.33Å; L223-R563 PolarHBondContact O-NH2 3.2Å; E506-R563 WeakPolarHBondContact OE1-CD 3.2Å; E506-R563 IonicContact OE1-NH1 2.73Å; L559-R563 WeakPolarHBondContact O-CB 3.5Å; L559-R563 VanDerWaalsContact O-CD 3.3Å; L559-R563 WeakPolarHBondContact O-CD 3.35Å; L559-R563 WeakPolarHBondContact O-CG 3.44Å; L559-R563 PolarHBondContact O-N 3.21Å; R560-R563 PolarHBondContact O-N 2.89Å; Q561-R563 VanDerWaalsContact C-N 3.28Å; Q561-R563 PolarHBondContact O-N 2.97Å; R563-R570 VanDerWaalsContact O-CZ 3.28Å; R563-R570 PolarHBondContact O-NE 2.99Å; R563-R570 PolarHBondContact O-NH2 3.25Å
564Q87.4Confident92.1Very high137 Ų13748.9 Ų48.964%0.6424%0.244SC*.  trans-64.6164.1173.2-75.2170.615.600111.7R560 Q561 R570R560-Q564 WeakPolarHBondContact O-CG 3.4Å; R560-Q564 PolarHBondContact O-N 2.91Å; Q561-Q564 PolarHBondContact O-N 3.48Å; Q564-R570 PolarHBondContact O-NE 2.84Å; Q564-R570 VanDerWaalsContact O-NE 3.1Å
565G82.8Confident92Very high51 Ų5149.4 Ų49.453%0.52625%0.245SC..SBendtrans71.8176.8-178.700000114.1R570G565-R570 PolarHBondContact O-NH2 3.25Å
566N87.5Confident91.8Very high82 Ų8252 Ų5244%0.43927%0.266SS..  trans-71.8136.1-177.4-175.4-29.4000110.5K568 Q569 R570N566-K568 PolarHBondContact O-N 3.47Å; N566-K568 VanDerWaalsContact O-N 3.09Å; N566-K568 WeakPolarHBondContact OD1-CB 3.49Å; N566-K568 PolarHBondContact OD1-N 3.4Å; N566-Q569 WeakPolarHBondContact O-CA 3.36Å; N566-Q569 WeakPolarHBondContact O-CB 3.2Å; N566-Q569 PolarHBondContact O-N 3.37Å; N566-R570 PolarHBondContact O-N 2.96Å
567T89.9Confident91.6Very high14 Ų1454.5 Ų54.59%0.08628%0.279CS..Hα-helixtrans-49.5-34.9172.6-41.40000112.4F240 E244 P259 R570 I571F240-T567 HydrophobicContact CD1-CG2 3.88Å; F240-T567 HydrophobicContact CE1-CG2 3.83Å; E244-T567 WeakPolarHBondContact OE2-CG2 3.34Å; E244-T567 PolarHBondContact OE2-OG1 3.47Å; P259-T567 HydrophobicContact CB-CG2 4.16Å; P259-T567 HydrophobicContact CG-CG2 4.14Å; T567-R570 PolarHBondContact O-N 3.42Å; T567-I571 HydrophobicContact CG2-CD1 4.39Å; T567-I571 VanDerWaalsContact O-CG1 3.29Å; T567-I571 WeakPolarHBondContact O-CG1 3.39Å; T567-I571 PolarHBondContact O-N 3.34Å; T567-I571 VanDerWaalsContact O-N 3.09Å
568K91.7Very high91.4Very high96 Ų9653.9 Ų53.942%0.41728%0.278SS..Hα-helixtrans-57.3-49.1171.4175.7175.1171.3-176.30112.4A264 N566 R570 I571 D572A264-K568 HydrophobicContact CB-CB 4.14Å; N566-K568 PolarHBondContact O-N 3.47Å; N566-K568 VanDerWaalsContact O-N 3.09Å; N566-K568 WeakPolarHBondContact OD1-CB 3.49Å; N566-K568 PolarHBondContact OD1-N 3.4Å; K568-R570 VanDerWaalsContact C-N 3.27Å; K568-R570 PolarHBondContact O-N 3.11Å; K568-I571 PolarHBondContact O-N 2.89Å; K568-D572 WeakPolarHBondContact CE-OD2 3.4Å; K568-D572 WeakPolarHBondContact CG-OD2 3.36Å; K568-D572 PolarHBondContact O-N 2.94Å
569Q91.6Very high91.2Very high122 Ų12256.2 Ų56.257%0.5729%0.29SS*.Hα-helixtrans-60.1-41.6-179.1-179.6-178.3-12.100110.7N566 I571 D572 E573N566-Q569 WeakPolarHBondContact O-CA 3.36Å; N566-Q569 WeakPolarHBondContact O-CB 3.2Å; N566-Q569 PolarHBondContact O-N 3.37Å; Q569-I571 VanDerWaalsContact C-N 3.28Å; Q569-I571 PolarHBondContact O-N 2.95Å; Q569-D572 PolarHBondContact O-N 2.88Å; Q569-E573 VanDerWaalsContact O-CB 3.31Å; Q569-E573 WeakPolarHBondContact O-CB 3.49Å; Q569-E573 PolarHBondContact O-N 3.06Å
570R93.8Very high91.1Very high9 Ų958.6 Ų58.63%0.03430%0.302CS..Hα-helixtrans-62.9-28.9174.3-76.4-176.1-90.7126.7-2.9113.4I238 G239 F240 E244 I562 R563 Q564 G565 N566 T567 K568 F574I238-R570 HydrophobicContact CG2-CB 3.75Å; I238-R570 HydrophobicContact CG2-CG 4.17Å; I238-R570 WeakPolarHBondContact CG2-O 3.3Å; G239-R570 PolarHBondContact O-NH1 3.33Å; F240-R570 HydrophobicContact CE1-CB 4.21Å; F240-R570 HydrophobicContact CZ-CB 4.34Å; E244-R570 IonicContact OE1-CZ 3.81Å; E244-R570 IonicContact OE1-NH1 3.32Å; E244-R570 IonicContact OE1-NH2 2.62Å; E244-R570 PolarHBondContact OE1-NH2 3.29Å; E244-R570 IonicContact OE2-CZ 3.21Å; E244-R570 IonicContact OE2-NH1 2.78Å; E244-R570 PolarHBondContact OE2-NH1 3.41Å; E244-R570 IonicContact OE2-NH2 2.74Å; E244-R570 PolarHBondContact OE2-NH2 3.03Å; I562-R570 WeakPolarHBondContact O-CD 3.41Å; R563-R570 VanDerWaalsContact O-CZ 3.28Å; R563-R570 PolarHBondContact O-NE 2.99Å; R563-R570 PolarHBondContact O-NH2 3.25Å; Q564-R570 PolarHBondContact O-NE 2.84Å; Q564-R570 VanDerWaalsContact O-NE 3.1Å; G565-R570 PolarHBondContact O-NH2 3.25Å; N566-R570 PolarHBondContact O-N 2.96Å; T567-R570 PolarHBondContact O-N 3.42Å; K568-R570 VanDerWaalsContact C-N 3.27Å; K568-R570 PolarHBondContact O-N 3.11Å; R570-F574 PolarHBondContact O-N 3.41Å
571I93.6Very high90.9Very high3 Ų358.1 Ų58.12%0.01531%0.305CS..Hα-helixtrans-80.3-41.6173.3-60.9167.1000111.5F240 P259 P265 F267 T567 K568 Q569 E573 F574 E575F240-I571 HydrophobicContact CE1-CD1 4.5Å; F240-I571 HydrophobicContact CE1-CG1 3.85Å; F240-I571 HydrophobicContact CZ-CG1 3.91Å; P259-I571 HydrophobicContact CG-CD1 3.94Å; P265-I571 HydrophobicContact CG-CB 4.22Å; P265-I571 HydrophobicContact CG-CD1 4.1Å; P265-I571 HydrophobicContact CG-CG2 3.87Å; P265-I571 VanDerWaalsContact O-CD1 3.23Å; P265-I571 WeakPolarHBondContact O-CD1 3.44Å; F267-I571 HydrophobicContact CB-CD1 4.01Å; F267-I571 HydrophobicContact CB-CG1 4.07Å; F267-I571 HydrophobicContact CD2-CB 4.48Å; F267-I571 HydrophobicContact CD2-CG1 3.96Å; F267-I571 HydrophobicContact CD2-CG2 4.2Å; F267-I571 HydrophobicContact CG-CG1 4.47Å; T567-I571 HydrophobicContact CG2-CD1 4.39Å; T567-I571 VanDerWaalsContact O-CG1 3.29Å; T567-I571 WeakPolarHBondContact O-CG1 3.39Å; T567-I571 PolarHBondContact O-N 3.34Å; T567-I571 VanDerWaalsContact O-N 3.09Å; K568-I571 PolarHBondContact O-N 2.89Å; Q569-I571 VanDerWaalsContact C-N 3.28Å; Q569-I571 PolarHBondContact O-N 2.95Å; I571-E573 VanDerWaalsContact C-N 3.25Å; I571-E573 PolarHBondContact O-N 2.96Å; I571-F574 PolarHBondContact O-N 3.4Å; I571-E575 PolarHBondContact O-N 2.89Å; I571-E575 VanDerWaalsContact O-N 3.16Å
572D91.4Very high90.8Very high83 Ų8355.4 Ų55.444%0.44430%0.295SS..Hα-helixtrans-62.7-35.3175.8-66.3-25.2000110.8K568 Q569 S576K568-D572 WeakPolarHBondContact CE-OD2 3.4Å; K568-D572 WeakPolarHBondContact CG-OD2 3.36Å; K568-D572 PolarHBondContact O-N 2.94Å; Q569-D572 PolarHBondContact O-N 2.88Å; D572-S576 PolarHBondContact O-N 3.45Å; D572-S576 VanDerWaalsContact O-N 3.16Å
573E92.9Very high90.6Very high84 Ų8457.9 Ų57.939%0.39331%0.308SS..Hα-helixtrans-64.7-45.5172.4-172176.8178.500112.3I238 Q569 I571 E575 S576 M577I238-E573 HydrophobicContact CD1-CB 4.12Å; I238-E573 HydrophobicContact CD1-CG 3.96Å; I238-E573 HydrophobicContact CG1-CG 4.33Å; Q569-E573 VanDerWaalsContact O-CB 3.31Å; Q569-E573 WeakPolarHBondContact O-CB 3.49Å; Q569-E573 PolarHBondContact O-N 3.06Å; I571-E573 VanDerWaalsContact C-N 3.25Å; I571-E573 PolarHBondContact O-N 2.96Å; E573-E575 VanDerWaalsContact C-N 3.32Å; E573-E575 PolarHBondContact O-N 3.22Å; E573-S576 WeakPolarHBondContact O-CA 3.34Å; E573-S576 VanDerWaalsContact O-CB 3.24Å; E573-S576 WeakPolarHBondContact O-CB 3.09Å; E573-S576 PolarHBondContact O-N 3.47Å; E573-S576 PolarHBondContact O-OG 3.49Å; E573-M577 PolarHBondContact O-N 3.38Å
574F93.6Very high90.5Very high0 Ų061 Ų610%033%0.326CS..Hα-helixtrans-60.3-38.3176.7169.9-102.4000113.5I208 N210 L216 I227 I238 F267 V268 F269 R570 I571 S576I208-F574 HydrophobicContact CD1-CE2 4.1Å; I208-F574 HydrophobicContact CD1-CZ 4.23Å; N210-F574 HydrophobicContact CB-CD1 4.05Å; N210-F574 HydrophobicContact CB-CE1 3.42Å; N210-F574 VanDerWaalsContact CB-CE1 3.42Å; N210-F574 HydrophobicContact CB-CE2 4.13Å; N210-F574 HydrophobicContact CB-CZ 3.47Å; N210-F574 VanDerWaalsContact CB-CZ 3.47Å; N210-F574 PolarHBondContact ND2-O 3.19Å; L216-F574 HydrophobicContact CD1-CD2 3.87Å; L216-F574 HydrophobicContact CD1-CE2 3.51Å; L216-F574 HydrophobicContact CD1-CZ 4.37Å; I227-F574 HydrophobicContact CD1-CE2 4.44Å; I227-F574 HydrophobicContact CG1-CD2 4.24Å; I227-F574 HydrophobicContact CG1-CE2 4.48Å; I227-F574 HydrophobicContact CG2-CD2 3.95Å; I227-F574 HydrophobicContact CG2-CE2 4.02Å; I238-F574 HydrophobicContact CD1-CB 3.68Å; F267-F574 HydrophobicContact CD2-CD1 4.01Å; F267-F574 HydrophobicContact CD2-CE1 4.44Å; F267-F574 HydrophobicContact CD2-CG 4.32Å; F267-F574 HydrophobicContact CE2-CB 3.82Å; F267-F574 AromaticContact CE2-CD1 3.37Å; F267-F574 HydrophobicContact CE2-CD1 3.37Å; F267-F574 AromaticContact CE2-CD2 3.8Å; F267-F574 HydrophobicContact CE2-CD2 3.8Å; F267-F574 AromaticContact CE2-CE1 3.77Å; F267-F574 HydrophobicContact CE2-CE1 3.77Å; F267-F574 HydrophobicContact CE2-CE2 4.15Å; F267-F574 AromaticContact CE2-CG 3.38Å; F267-F574 HydrophobicContact CE2-CG 3.38Å; F267-F574 HydrophobicContact CE2-CZ 4.14Å; F267-F574 HydrophobicContact CZ-CD1 4.06Å; F267-F574 AromaticContact CZ-CD2 3.98Å; F267-F574 HydrophobicContact CZ-CD2 3.98Å; F267-F574 HydrophobicContact CZ-CE1 4.04Å; F267-F574 AromaticContact CZ-CE2 3.95Å; F267-F574 HydrophobicContact CZ-CE2 3.95Å; F267-F574 HydrophobicContact CZ-CG 4.02Å; F267-F574 AromaticContact CZ-CZ 3.98Å; F267-F574 HydrophobicContact CZ-CZ 3.98Å; V268-F574 WeakPolarHBondContact O-CE1 3.19Å; F269-F574 HydrophobicContact CB-CE1 4.44Å; F269-F574 HydrophobicContact CB-CZ 3.93Å; R570-F574 PolarHBondContact O-N 3.41Å; I571-F574 PolarHBondContact O-N 3.4Å; F574-S576 PolarHBondContact O-N 3.05Å
575E90.9Very high90.7Very high36 Ų3655.2 Ų55.217%0.16830%0.302CS..THydrogen-bonded Turntrans-78.4-7.1174.1-58.1-67.7-176.600112.1K211 K212 I571 E573K211-E575 VanDerWaalsContact CB-OE2 3.28Å; K211-E575 WeakPolarHBondContact CB-OE2 3.39Å; K211-E575 WeakPolarHBondContact CG-OE1 3.41Å; K211-E575 WeakPolarHBondContact CG-OE2 3.27Å; K211-E575 PolarHBondContact N-OE2 3.29Å; K211-E575 IonicContact NZ-OE1 2.68Å; K211-E575 PolarHBondContact NZ-OE1 3.27Å; K212-E575 WeakPolarHBondContact CD-O 3.36Å; K212-E575 WeakPolarHBondContact CE-O 3.45Å; K212-E575 PolarHBondContact NZ-O 3.2Å; I571-E575 PolarHBondContact O-N 2.89Å; I571-E575 VanDerWaalsContact O-N 3.16Å; E573-E575 VanDerWaalsContact C-N 3.32Å; E573-E575 PolarHBondContact O-N 3.22Å
576S89.6Confident91.4Very high76 Ų7655.5 Ų55.553%0.53128%0.283SS..THydrogen-bonded Turntrans-83.5-31.3171.887.20000112.8K212 D572 E573 F574K212-S576 VanDerWaalsContact NZ-C 3.28Å; K212-S576 VanDerWaalsContact NZ-CA 3.35Å; K212-S576 PolarHBondContact NZ-O 3.12Å; D572-S576 PolarHBondContact O-N 3.45Å; D572-S576 VanDerWaalsContact O-N 3.16Å; E573-S576 WeakPolarHBondContact O-CA 3.34Å; E573-S576 VanDerWaalsContact O-CB 3.24Å; E573-S576 WeakPolarHBondContact O-CB 3.09Å; E573-S576 PolarHBondContact O-N 3.47Å; E573-S576 PolarHBondContact O-OG 3.49Å; F574-S576 PolarHBondContact O-N 3.05Å
577M90.2Very high91.7Very high61 Ų6153.1 Ų53.130%0.327%0.269SS..  trans-61.70174.1-55.6179.78700113.9N210 S214 L216 E229 K237 I238 E573N210-M577 PolarHBondContact ND2-O 3.04Å; S214-M577 WeakPolarHBondContact CB-OXT 3.38Å; S214-M577 VanDerWaalsContact OG-C 3.24Å; S214-M577 PolarHBondContact OG-O 2.96Å; S214-M577 PolarHBondContact OG-OXT 3.32Å; L216-M577 HydrophobicContact CD1-CB 4.15Å; L216-M577 HydrophobicContact CD1-SD 4.2Å; L216-M577 HydrophobicContact CD2-CB 4.41Å; L216-M577 HydrophobicContact CD2-CE 3.8Å; L216-M577 HydrophobicContact CD2-SD 4.26Å; E229-M577 HydrophobicContact CG-CE 3.75Å; K237-M577 HydrophobicContact CB-CE 4.39Å; K237-M577 HydrophobicContact CG-CE 4.09Å; I238-M577 HydrophobicContact CD1-SD 3.8Å; E573-M577 PolarHBondContact O-N 3.38Å

Retrieved 577 of 577 residues in 4202 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).