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Moesin

Ezrin-radixin-moesin (ERM) family protein that connects the actin cytoskeleton to the plasma membrane and thereby regulates the structure and function of specific domains of the cell cortex. Tethers actin filaments by oscillating between a resting and an activated state providing transient interactions between moesin and the actin cytoskeleton1. Once phosphorylated on its C-terminal threonine, moesin is activated leading to interaction with F-actin and cytoskeletal rearrangement2. These rearrangements regulate many cellular processes, including cell shape determination, membrane transport, and signal transduction3,4. The role of moesin is particularly important in immunity acting on both T and B-cells homeostasis and self-tolerance, regulating lymphocyte egress from lymphoid organs5,6. Modulates phagolysosomal biogenesis in macrophages (By similarity). Also participates in immunologic synapse formation7.

AlphaFold DB , UniProt , Accession P26038, Species HUMAN (Homo sapiens, Human), Gene MSN, Length 577 aa.

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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 140.8 ms (Link to these results)

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