| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39 | Very low | 58.6 | Low | 180 Ų | 180 | 81.7 Ų | 81.7 | 89% | 0.887 | 43% | 0.43 | S | S | * | . | 0 | 105.5 | 0 | -88.1 | -177.9 | -178.4 | 0 | 0 | 104.6 | N46 | M1-N46 PolarHBondContact N-ND2 2.98Å; M1-N46 PolarHBondContact N-OD1 3.27Å; M1-N46 VanDerWaalsContact O-CG 3.27Å; M1-N46 PolarHBondContact O-ND2 3.48Å | |||
| 2 | A | 46.3 | Very low | 58.7 | Low | 63 Ų | 63 | 79.8 Ų | 79.8 | 52% | 0.521 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 143.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | L49 | A2-L49 HydrophobicContact CB-CD1 3.66Š|
| 3 | L | 54.7 | Low | 59.2 | Low | 27 Ų | 27 | 77.6 Ų | 77.6 | 14% | 0.141 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 145.4 | 172 | -70.5 | 160.3 | 0 | 0 | 0 | 109.4 | D7 L8 F37 E52 | L3-D7 HydrophobicContact CB-CB 4.4Å; L3-D7 HydrophobicContact CD2-CB 4.35Å; L3-L8 HydrophobicContact CB-CG 4.45Å; L3-F37 HydrophobicContact CD1-CE2 3.48Å; L3-F37 VanDerWaalsContact CD1-CE2 3.48Å; L3-F37 HydrophobicContact CD1-CZ 3.46Å; L3-F37 VanDerWaalsContact CD1-CZ 3.46Å; L3-F37 HydrophobicContact CD2-CE2 3.83Å; L3-F37 HydrophobicContact CG-CE2 4.33Å; L3-E52 WeakPolarHBondContact CB-OE1 3.22Å; L3-E52 HydrophobicContact CD1-CG 3.99Å; L3-E52 PolarHBondContact N-OE1 3.46Å |
| 4 | S | 62.9 | Low | 59.5 | Low | 47 Ų | 47 | 72.5 Ų | 72.5 | 33% | 0.329 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 151.7 | 175.5 | 71.4 | 0 | 0 | 0 | 0 | 110.4 | S6 D7 L8 | S4-S6 PolarHBondContact O-N 3.05Å; S4-S6 PolarHBondContact OG-OG 3.08Å; S4-D7 WeakPolarHBondContact CB-OD2 3.47Å; S4-D7 PolarHBondContact N-OD2 2.95Å; S4-D7 WeakPolarHBondContact O-CB 3.38Å; S4-D7 PolarHBondContact O-N 2.99Å; S4-D7 PolarHBondContact OG-N 2.75Å; S4-D7 VanDerWaalsContact OG-N 3.13Å; S4-D7 PolarHBondContact OG-OD2 3.08Å; S4-L8 PolarHBondContact O-N 3.29Å |
| 5 | E | 63.1 | Low | 59.3 | Low | 147 Ų | 147 | 67.7 Ų | 67.7 | 69% | 0.687 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -57.8 | -30.9 | 176.2 | -162.2 | 175.1 | -172.3 | 0 | 0 | 111.9 | Q9 | E5-Q9 WeakPolarHBondContact O-CG 3.2Å; E5-Q9 PolarHBondContact O-N 2.81Å |
| 6 | S | 63.5 | Low | 59.2 | Low | 78 Ų | 78 | 68.4 Ų | 68.4 | 55% | 0.545 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.4 | -39.1 | 171.4 | 42.6 | 0 | 0 | 0 | 0 | 113.7 | S4 L8 Y10 | S4-S6 PolarHBondContact O-N 3.05Å; S4-S6 PolarHBondContact OG-OG 3.08Å; S6-L8 VanDerWaalsContact C-N 3.35Å; S6-Y10 VanDerWaalsContact O-CB 3.26Å; S6-Y10 WeakPolarHBondContact O-CB 3.33Å; S6-Y10 PolarHBondContact O-N 2.69Å |
| 7 | D | 62.8 | Low | 59.3 | Low | 61 Ų | 61 | 68 Ų | 68 | 33% | 0.326 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 175.7 | -64.7 | -44.6 | 0 | 0 | 0 | 110 | L3 S4 Y10 F11 | L3-D7 HydrophobicContact CB-CB 4.4Å; L3-D7 HydrophobicContact CD2-CB 4.35Å; S4-D7 WeakPolarHBondContact CB-OD2 3.47Å; S4-D7 PolarHBondContact N-OD2 2.95Å; S4-D7 WeakPolarHBondContact O-CB 3.38Å; S4-D7 PolarHBondContact O-N 2.99Å; S4-D7 PolarHBondContact OG-N 2.75Å; S4-D7 VanDerWaalsContact OG-N 3.13Å; S4-D7 PolarHBondContact OG-OD2 3.08Å; D7-Y10 PolarHBondContact O-N 3.27Å; D7-F11 HydrophobicContact CB-CD2 4.41Å; D7-F11 HydrophobicContact CB-CE2 4.3Å; D7-F11 WeakPolarHBondContact O-CD2 3.36Å; D7-F11 PolarHBondContact O-N 3.47Å |
| 8 | L | 57.9 | Low | 59.1 | Low | 18 Ų | 18 | 64.3 Ų | 64.3 | 9% | 0.094 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.8 | -48.3 | 175.9 | -80 | 164.1 | 0 | 0 | 0 | 112.2 | L3 S4 S6 Y10 F11 D12 L51 E52 L55 | L3-L8 HydrophobicContact CB-CG 4.45Å; S4-L8 PolarHBondContact O-N 3.29Å; S6-L8 VanDerWaalsContact C-N 3.35Å; L8-Y10 VanDerWaalsContact C-N 3.32Å; L8-Y10 PolarHBondContact O-N 3.01Å; L8-F11 PolarHBondContact O-N 2.7Å; L8-D12 WeakPolarHBondContact O-CB 3.46Å; L8-D12 PolarHBondContact O-N 3.41Å; L8-L51 HydrophobicContact CD1-CB 4Å; L8-L51 HydrophobicContact CD2-CB 4.12Å; L8-E52 HydrophobicContact CD2-CG 3.97Å; L8-L55 HydrophobicContact CD2-CD2 3.84Å |
| 9 | Q | 64.1 | Low | 58.7 | Low | 132 Ų | 132 | 63.6 Ų | 63.6 | 62% | 0.617 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.1 | -38.9 | 176.5 | -73.7 | 178.5 | 10.7 | 0 | 0 | 112.1 | E5 A13 | E5-Q9 WeakPolarHBondContact O-CG 3.2Å; E5-Q9 PolarHBondContact O-N 2.81Å; Q9-A13 VanDerWaalsContact O-CB 3.25Å; Q9-A13 WeakPolarHBondContact O-CB 3.41Å; Q9-A13 PolarHBondContact O-N 3.28Å |
| 10 | Y | 68.5 | Low | 58.2 | Low | 135 Ų | 135 | 67.7 Ų | 67.7 | 53% | 0.529 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 176.2 | 177.1 | -108.8 | 0 | 0 | 0 | 111.5 | S6 D7 L8 A13 I14 | S6-Y10 VanDerWaalsContact O-CB 3.26Å; S6-Y10 WeakPolarHBondContact O-CB 3.33Å; S6-Y10 PolarHBondContact O-N 2.69Å; D7-Y10 PolarHBondContact O-N 3.27Å; L8-Y10 VanDerWaalsContact C-N 3.32Å; L8-Y10 PolarHBondContact O-N 3.01Å; Y10-A13 PolarHBondContact O-N 3.28Å; Y10-I14 HydrophobicContact CD1-CD1 3.68Å; Y10-I14 HydrophobicContact CD2-CD1 4.37Å; Y10-I14 HydrophobicContact CE1-CD1 3.23Å; Y10-I14 HydrophobicContact CE1-CG1 4.43Å; Y10-I14 HydrophobicContact CE2-CD1 3.99Å; Y10-I14 HydrophobicContact CE2-CG1 4.47Å; Y10-I14 HydrophobicContact CG-CD1 4.23Å; Y10-I14 VanDerWaalsContact CZ-CD1 3.41Å; Y10-I14 VanDerWaalsContact O-CG1 3.27Å; Y10-I14 WeakPolarHBondContact O-CG1 3.44Å; Y10-I14 PolarHBondContact O-N 3.42Å |
| 11 | F | 62.1 | Low | 57.9 | Low | 11 Ų | 11 | 65.3 Ų | 65.3 | 5% | 0.048 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -70.6 | -36.1 | 178.1 | -74 | -60.7 | 0 | 0 | 0 | 113.4 | D7 L8 I14 C15 L34 F37 L55 | D7-F11 HydrophobicContact CB-CD2 4.41Å; D7-F11 HydrophobicContact CB-CE2 4.3Å; D7-F11 WeakPolarHBondContact O-CD2 3.36Å; D7-F11 PolarHBondContact O-N 3.47Å; L8-F11 PolarHBondContact O-N 2.7Å; F11-I14 HydrophobicContact CD1-CD1 4.22Å; F11-I14 PolarHBondContact O-N 3.23Å; F11-C15 PolarHBondContact O-N 3.18Å; F11-C15 PolarHBondContact O-SG 2.67Å; F11-L34 HydrophobicContact CD1-CD2 3.78Å; F11-L34 HydrophobicContact CE1-CD2 4.38Å; F11-F37 HydrophobicContact CD1-CB 4.43Å; F11-F37 HydrophobicContact CD1-CD2 4.45Å; F11-F37 HydrophobicContact CD1-CG 4.3Å; F11-F37 AromaticContact CD2-CD2 3.92Å; F11-F37 HydrophobicContact CD2-CD2 3.92Å; F11-F37 AromaticContact CD2-CE2 3.8Å; F11-F37 HydrophobicContact CD2-CE2 3.8Å; F11-F37 HydrophobicContact CD2-CG 4.48Å; F11-F37 HydrophobicContact CD2-CZ 4.29Å; F11-F37 HydrophobicContact CE1-CB 3.64Å; F11-F37 AromaticContact CE1-CD2 3.86Å; F11-F37 HydrophobicContact CE1-CD2 3.86Å; F11-F37 AromaticContact CE1-CG 3.8Å; F11-F37 HydrophobicContact CE1-CG 3.8Å; F11-F37 AromaticContact CE2-CD2 3.25Å; F11-F37 HydrophobicContact CE2-CD2 3.25Å; F11-F37 AromaticContact CE2-CE2 3.45Å; F11-F37 HydrophobicContact CE2-CE2 3.45Å; F11-F37 VanDerWaalsContact CE2-CE2 3.45Å; F11-F37 HydrophobicContact CE2-CG 4.03Å; F11-F37 HydrophobicContact CE2-CZ 4.36Å; F11-F37 HydrophobicContact CG-CD2 4.5Å; F11-F37 HydrophobicContact CZ-CB 3.75Å; F11-F37 AromaticContact CZ-CD2 3.22Å; F11-F37 HydrophobicContact CZ-CD2 3.22Å; F11-F37 AromaticContact CZ-CE2 3.94Å; F11-F37 HydrophobicContact CZ-CE2 3.94Å; F11-F37 AromaticContact CZ-CG 3.67Å; F11-F37 HydrophobicContact CZ-CG 3.67Å; F11-L55 HydrophobicContact CB-CD1 4.03Å; F11-L55 HydrophobicContact CB-CD2 3.59Å; F11-L55 HydrophobicContact CB-CG 4.36Å; F11-L55 HydrophobicContact CG-CD2 4.35Å |
| 12 | D | 59.9 | Low | 58.1 | Low | 59 Ų | 59 | 61.7 Ų | 61.7 | 32% | 0.316 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.4 | -38.6 | 174.2 | -161.9 | 37.1 | 0 | 0 | 0 | 111.2 | L8 I14 C15 Q16 L55 R58 | L8-D12 WeakPolarHBondContact O-CB 3.46Å; L8-D12 PolarHBondContact O-N 3.41Å; D12-I14 VanDerWaalsContact C-N 3.35Å; D12-I14 PolarHBondContact O-N 3.45Å; D12-C15 WeakPolarHBondContact O-CB 3.03Å; D12-C15 PolarHBondContact O-N 3.32Å; D12-Q16 WeakPolarHBondContact O-CG 3.49Å; D12-Q16 PolarHBondContact O-N 3.36Å; D12-L55 HydrophobicContact CB-CD1 4.39Å; D12-R58 IonicContact OD1-NH1 2.87Å |
| 13 | A | 64.2 | Low | 58.3 | Low | 51 Ų | 51 | 62.2 Ų | 62.2 | 42% | 0.421 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q9 Y10 Q16 E17 | Q9-A13 VanDerWaalsContact O-CB 3.25Å; Q9-A13 WeakPolarHBondContact O-CB 3.41Å; Q9-A13 PolarHBondContact O-N 3.28Å; Y10-A13 PolarHBondContact O-N 3.28Å; A13-Q16 PolarHBondContact O-N 3.19Å; A13-E17 WeakPolarHBondContact O-CB 3.49Å; A13-E17 PolarHBondContact O-N 2.96Å |
| 14 | I | 63.9 | Low | 58 | Low | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 173.5 | -73 | 169.9 | 0 | 0 | 0 | 111.3 | Y10 F11 D12 E17 L18 A30 A33 L34 | Y10-I14 HydrophobicContact CD1-CD1 3.68Å; Y10-I14 HydrophobicContact CD2-CD1 4.37Å; Y10-I14 HydrophobicContact CE1-CD1 3.23Å; Y10-I14 HydrophobicContact CE1-CG1 4.43Å; Y10-I14 HydrophobicContact CE2-CD1 3.99Å; Y10-I14 HydrophobicContact CE2-CG1 4.47Å; Y10-I14 HydrophobicContact CG-CD1 4.23Å; Y10-I14 VanDerWaalsContact CZ-CD1 3.41Å; Y10-I14 VanDerWaalsContact O-CG1 3.27Å; Y10-I14 WeakPolarHBondContact O-CG1 3.44Å; Y10-I14 PolarHBondContact O-N 3.42Å; F11-I14 HydrophobicContact CD1-CD1 4.22Å; F11-I14 PolarHBondContact O-N 3.23Å; D12-I14 VanDerWaalsContact C-N 3.35Å; D12-I14 PolarHBondContact O-N 3.45Å; I14-E17 PolarHBondContact O-N 2.96Å; I14-L18 WeakPolarHBondContact O-CB 3.39Å; I14-L18 PolarHBondContact O-N 3.49Å; I14-A30 HydrophobicContact CG2-CB 3.63Å; I14-A33 HydrophobicContact CD1-CB 3.91Å; I14-L34 HydrophobicContact CB-CD2 4.31Å; I14-L34 HydrophobicContact CG2-CD1 4.03Å; I14-L34 HydrophobicContact CG2-CD2 3.56Å; I14-L34 HydrophobicContact CG2-CG 3.65Å |
| 15 | C | 56.2 | Low | 57.7 | Low | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62 | -44.2 | 176.1 | -68.1 | 0 | 0 | 0 | 0 | 111.5 | F11 D12 L18 L19 L59 | F11-C15 PolarHBondContact O-N 3.18Å; F11-C15 PolarHBondContact O-SG 2.67Å; D12-C15 WeakPolarHBondContact O-CB 3.03Å; D12-C15 PolarHBondContact O-N 3.32Å; C15-L18 PolarHBondContact O-N 3.4Å; C15-L19 VanDerWaalsContact O-CG 3.31Å; C15-L19 WeakPolarHBondContact O-CG 3.37Å; C15-L19 PolarHBondContact O-N 3.34Å; C15-L59 WeakPolarHBondContact SG-CD2 3.49Å |
| 16 | Q | 57.9 | Low | 57.4 | Low | 79 Ų | 79 | 67.4 Ų | 67.4 | 37% | 0.369 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 174.5 | -70.8 | -179.9 | 16.7 | 0 | 0 | 111.5 | D12 A13 L18 L19 Q20 | D12-Q16 WeakPolarHBondContact O-CG 3.49Å; D12-Q16 PolarHBondContact O-N 3.36Å; A13-Q16 PolarHBondContact O-N 3.19Å; Q16-L18 VanDerWaalsContact C-N 3.33Å; Q16-L18 PolarHBondContact O-N 3.31Å; Q16-L19 PolarHBondContact O-N 3.2Å; Q16-Q20 VanDerWaalsContact O-CB 3.29Å; Q16-Q20 WeakPolarHBondContact O-CB 3.39Å; Q16-Q20 WeakPolarHBondContact O-CG 3.31Å; Q16-Q20 PolarHBondContact O-N 3.1Å |
| 17 | E | 60.8 | Low | 56.9 | Low | 62 Ų | 62 | 66.4 Ų | 66.4 | 29% | 0.29 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 176.3 | -166.3 | 164 | -159.7 | 0 | 0 | 110.7 | A13 I14 L19 A21 K26 | A13-E17 WeakPolarHBondContact O-CB 3.49Å; A13-E17 PolarHBondContact O-N 2.96Å; I14-E17 PolarHBondContact O-N 2.96Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 3.23Å; E17-A21 HydrophobicContact CG-CB 4.17Å; E17-A21 WeakPolarHBondContact O-CA 3.39Å; E17-A21 WeakPolarHBondContact O-CB 3.5Å; E17-A21 PolarHBondContact O-N 3.16Å; E17-K26 HydrophobicContact CG-CB 4.42Å; E17-K26 WeakPolarHBondContact OE1-CD 3.5Å; E17-K26 WeakPolarHBondContact OE1-CG 2.83Å; E17-K26 IonicContact OE1-NZ 3.94Å; E17-K26 PolarHBondContact OE1-NZ 3.08Å |
| 18 | L | 55.8 | Low | 56.7 | Low | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65 | -34.1 | 173.4 | -115.2 | 153.9 | 0 | 0 | 0 | 113.8 | I14 C15 Q16 R27 A30 D31 L34 V62 | I14-L18 WeakPolarHBondContact O-CB 3.39Å; I14-L18 PolarHBondContact O-N 3.49Å; C15-L18 PolarHBondContact O-N 3.4Å; Q16-L18 VanDerWaalsContact C-N 3.33Å; Q16-L18 PolarHBondContact O-N 3.31Å; L18-R27 HydrophobicContact CD2-CG 3.68Å; L18-R27 HydrophobicContact CG-CG 4.21Å; L18-A30 HydrophobicContact CD1-CB 3.84Å; L18-A30 HydrophobicContact CG-CB 3.92Å; L18-D31 WeakPolarHBondContact CD1-OD1 3.42Å; L18-D31 WeakPolarHBondContact CD2-OD1 3.35Å; L18-L34 HydrophobicContact CD1-CD1 3.25Å; L18-L34 HydrophobicContact CD1-CG 4.27Å; L18-V62 HydrophobicContact CB-CG1 4.02Å; L18-V62 HydrophobicContact CD1-CG1 4.39Å; L18-V62 HydrophobicContact CD2-CG1 4.18Å; L18-V62 HydrophobicContact CG-CG1 4.44Å |
| 19 | L | 51.1 | Low | 57 | Low | 51 Ų | 51 | 73.5 Ų | 73.5 | 27% | 0.267 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -78 | -38 | 178.1 | -73.6 | 171.3 | 0 | 0 | 0 | 112.7 | C15 Q16 E17 V62 C114 | C15-L19 VanDerWaalsContact O-CG 3.31Å; C15-L19 WeakPolarHBondContact O-CG 3.37Å; C15-L19 PolarHBondContact O-N 3.34Å; Q16-L19 PolarHBondContact O-N 3.2Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 3.23Å; L19-V62 HydrophobicContact CD1-CG2 4.31Å; L19-V62 HydrophobicContact CD2-CG2 3.84Å; L19-V62 HydrophobicContact CG-CG2 4.08Å; L19-C114 HydrophobicContact CD2-CB 4.32Å |
| 20 | Q | 49.7 | Very low | 56.9 | Low | 146 Ų | 146 | 67.4 Ų | 67.4 | 68% | 0.682 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -102.7 | -20.7 | -171.9 | -63.2 | 179.6 | 5.8 | 0 | 0 | 114.3 | Q16 T22 | Q16-Q20 VanDerWaalsContact O-CB 3.29Å; Q16-Q20 WeakPolarHBondContact O-CB 3.39Å; Q16-Q20 WeakPolarHBondContact O-CG 3.31Å; Q16-Q20 PolarHBondContact O-N 3.1Å; Q20-T22 PolarHBondContact O-N 2.69Å |
| 21 | A | 51.5 | Low | 56.3 | Low | 18 Ų | 18 | 62.7 Ų | 62.7 | 15% | 0.149 | 32% | 0.322 | C | S | . | . | trans | -68.3 | 120.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E17 D23 | E17-A21 HydrophobicContact CG-CB 4.17Å; E17-A21 WeakPolarHBondContact O-CA 3.39Å; E17-A21 WeakPolarHBondContact O-CB 3.5Å; E17-A21 PolarHBondContact O-N 3.16Å; A21-D23 VanDerWaalsContact C-N 3.25Å | ||
| 22 | T | 44.3 | Very low | 56.5 | Low | 104 Ų | 104 | 67.9 Ų | 67.9 | 64% | 0.638 | 34% | 0.344 | S | S | * | . | trans | -79.1 | -13.7 | 161 | 48.3 | 0 | 0 | 0 | 0 | 111.8 | Q20 | Q20-T22 PolarHBondContact O-N 2.69Š| ||
| 23 | D | 48.6 | Very low | 56.7 | Low | 74 Ų | 74 | 66.1 Ų | 66.1 | 40% | 0.396 | 34% | 0.338 | S | S | . | . | trans | -92.1 | 113 | 180 | -169.4 | -18.7 | 0 | 0 | 0 | 110.8 | A21 E25 K26 R27 | A21-D23 VanDerWaalsContact C-N 3.25Å; D23-E25 PolarHBondContact O-N 3.17Å; D23-E25 PolarHBondContact OD1-N 3.29Å; D23-K26 HydrophobicContact CB-CB 4.26Å; D23-K26 HydrophobicContact CB-CD 3.79Å; D23-K26 HydrophobicContact CB-CG 4.36Å; D23-K26 PolarHBondContact O-N 3.44Å; D23-R27 PolarHBondContact O-N 3.4Å; D23-R27 VanDerWaalsContact O-N 3.11Å | ||
| 24 | N | 48.6 | Very low | 56.5 | Low | 64 Ų | 64 | 63.7 Ų | 63.7 | 34% | 0.342 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.7 | -25.8 | -174.1 | -74.9 | -42.3 | 0 | 0 | 0 | 113.8 | R27 Y28 Q1008 | N24-R27 PolarHBondContact O-N 3.16Å; N24-Y28 WeakPolarHBondContact O-CB 3.44Å; N24-Y28 PolarHBondContact O-N 3.02Å; N24-Q1008 VanDerWaalsContact ND2-CD 3.31Å; N24-Q1008 PolarHBondContact ND2-OE1 2.94Å |
| 25 | E | 56.3 | Low | 56.3 | Low | 160 Ų | 160 | 64.6 Ų | 64.6 | 75% | 0.748 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -70.7 | -43.6 | 176.2 | -73.3 | -172.8 | 174.9 | 0 | 0 | 111 | D23 R27 Y28 A29 | D23-E25 PolarHBondContact O-N 3.17Å; D23-E25 PolarHBondContact OD1-N 3.29Å; E25-R27 VanDerWaalsContact C-N 3.28Å; E25-R27 PolarHBondContact O-N 2.87Å; E25-Y28 PolarHBondContact O-N 2.78Å; E25-A29 WeakPolarHBondContact O-CB 3.42Å; E25-A29 PolarHBondContact O-N 3.24Å |
| 26 | K | 57 | Low | 56.7 | Low | 106 Ų | 106 | 69.8 Ų | 69.8 | 46% | 0.461 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 172.8 | -77.2 | 165.6 | 151.5 | -92.9 | 0 | 111.3 | E17 D23 A29 A30 | E17-K26 HydrophobicContact CG-CB 4.42Å; E17-K26 WeakPolarHBondContact OE1-CD 3.5Å; E17-K26 WeakPolarHBondContact OE1-CG 2.83Å; E17-K26 IonicContact OE1-NZ 3.94Å; E17-K26 PolarHBondContact OE1-NZ 3.08Å; D23-K26 HydrophobicContact CB-CB 4.26Å; D23-K26 HydrophobicContact CB-CD 3.79Å; D23-K26 HydrophobicContact CB-CG 4.36Å; D23-K26 PolarHBondContact O-N 3.44Å; K26-A29 PolarHBondContact O-N 3.39Å; K26-A30 VanDerWaalsContact O-CB 3.23Å; K26-A30 WeakPolarHBondContact O-CB 3.3Å; K26-A30 PolarHBondContact O-N 3.41Å |
| 27 | R | 53.8 | Low | 56.9 | Low | 57 Ų | 57 | 66.2 Ų | 66.2 | 22% | 0.215 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 176.3 | -164.7 | 178.4 | 179.3 | 130.5 | -8.2 | 113 | L18 D23 N24 E25 A30 D31 | L18-R27 HydrophobicContact CD2-CG 3.68Å; L18-R27 HydrophobicContact CG-CG 4.21Å; D23-R27 PolarHBondContact O-N 3.4Å; D23-R27 VanDerWaalsContact O-N 3.11Å; N24-R27 PolarHBondContact O-N 3.16Å; E25-R27 VanDerWaalsContact C-N 3.28Å; E25-R27 PolarHBondContact O-N 2.87Å; R27-A30 WeakPolarHBondContact O-CB 3.49Å; R27-A30 PolarHBondContact O-N 2.94Å; R27-D31 WeakPolarHBondContact O-CB 3.28Å; R27-D31 PolarHBondContact O-N 3.06Å |
| 28 | Y | 59 | Low | 56.7 | Low | 169 Ų | 169 | 64 Ų | 64 | 66% | 0.663 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -66.8 | -41.1 | 177 | -178 | -98.6 | 0 | 0 | 0 | 112.6 | N24 E25 A30 D31 K32 | N24-Y28 WeakPolarHBondContact O-CB 3.44Å; N24-Y28 PolarHBondContact O-N 3.02Å; E25-Y28 PolarHBondContact O-N 2.78Å; Y28-A30 VanDerWaalsContact C-N 3.35Å; Y28-D31 PolarHBondContact O-N 3.38Å; Y28-K32 PolarHBondContact O-N 3.08Å |
| 29 | A | 64.2 | Low | 56.9 | Low | 59 Ų | 59 | 69.7 Ų | 69.7 | 49% | 0.488 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | E25 K26 K32 A33 | E25-A29 WeakPolarHBondContact O-CB 3.42Å; E25-A29 PolarHBondContact O-N 3.24Å; K26-A29 PolarHBondContact O-N 3.39Å; A29-K32 PolarHBondContact O-N 3.03Å; A29-A33 PolarHBondContact O-N 3.03Å; A29-A33 VanDerWaalsContact O-N 3.08Å |
| 30 | A | 60.4 | Low | 57.4 | Low | 4 Ų | 4 | 72.5 Ų | 72.5 | 3% | 0.033 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.3 | -51.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I14 L18 K26 R27 Y28 K32 A33 L34 | I14-A30 HydrophobicContact CG2-CB 3.63Å; L18-A30 HydrophobicContact CD1-CB 3.84Å; L18-A30 HydrophobicContact CG-CB 3.92Å; K26-A30 VanDerWaalsContact O-CB 3.23Å; K26-A30 WeakPolarHBondContact O-CB 3.3Å; K26-A30 PolarHBondContact O-N 3.41Å; R27-A30 WeakPolarHBondContact O-CB 3.49Å; R27-A30 PolarHBondContact O-N 2.94Å; Y28-A30 VanDerWaalsContact C-N 3.35Å; A30-K32 VanDerWaalsContact C-N 3.34Å; A30-K32 PolarHBondContact O-N 3.46Å; A30-A33 PolarHBondContact O-N 3.26Å; A30-L34 WeakPolarHBondContact O-CG 3.33Å; A30-L34 PolarHBondContact O-N 2.83Å |
| 31 | D | 56.5 | Low | 57.6 | Low | 36 Ų | 36 | 70.5 Ų | 70.5 | 19% | 0.193 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -55.7 | -44.8 | 178 | -86.2 | -34 | 0 | 0 | 0 | 112.8 | L18 R27 Y28 L34 S35 N66 | L18-D31 WeakPolarHBondContact CD1-OD1 3.42Å; L18-D31 WeakPolarHBondContact CD2-OD1 3.35Å; R27-D31 WeakPolarHBondContact O-CB 3.28Å; R27-D31 PolarHBondContact O-N 3.06Å; Y28-D31 PolarHBondContact O-N 3.38Å; D31-L34 PolarHBondContact O-N 3.43Å; D31-S35 PolarHBondContact O-N 3.33Å; D31-N66 PolarHBondContact OD1-ND2 3.35Å |
| 32 | K | 65.7 | Low | 57.8 | Low | 119 Ų | 119 | 74.2 Ų | 74.2 | 52% | 0.517 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 178.8 | -172.8 | -179.1 | 176.8 | -174.8 | 0 | 111.8 | Y28 A29 A30 L34 S35 E36 | Y28-K32 PolarHBondContact O-N 3.08Å; A29-K32 PolarHBondContact O-N 3.03Å; A30-K32 VanDerWaalsContact C-N 3.34Å; A30-K32 PolarHBondContact O-N 3.46Å; K32-L34 VanDerWaalsContact C-N 3.25Å; K32-L34 PolarHBondContact O-N 3.26Å; K32-S35 PolarHBondContact O-N 3.17Å; K32-E36 VanDerWaalsContact CE-OE1 3.31Å; K32-E36 WeakPolarHBondContact CE-OE1 3.25Å; K32-E36 PolarHBondContact O-N 2.94Å; K32-E36 VanDerWaalsContact O-N 3.08Å |
| 33 | A | 65.1 | Low | 58.3 | Low | 22 Ų | 22 | 69.6 Ų | 69.6 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.6 | -36.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I14 A29 A30 F37 | I14-A33 HydrophobicContact CD1-CB 3.91Å; A29-A33 PolarHBondContact O-N 3.03Å; A29-A33 VanDerWaalsContact O-N 3.08Å; A30-A33 PolarHBondContact O-N 3.26Å; A33-F37 PolarHBondContact O-N 2.93Å |
| 34 | L | 60.4 | Low | 58.4 | Low | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -73 | -41.5 | 176.9 | -64.3 | -175.7 | 0 | 0 | 0 | 113.7 | F11 I14 L18 A30 D31 K32 E36 F37 C38 L59 | F11-L34 HydrophobicContact CD1-CD2 3.78Å; F11-L34 HydrophobicContact CE1-CD2 4.38Å; I14-L34 HydrophobicContact CB-CD2 4.31Å; I14-L34 HydrophobicContact CG2-CD1 4.03Å; I14-L34 HydrophobicContact CG2-CD2 3.56Å; I14-L34 HydrophobicContact CG2-CG 3.65Å; L18-L34 HydrophobicContact CD1-CD1 3.25Å; L18-L34 HydrophobicContact CD1-CG 4.27Å; A30-L34 WeakPolarHBondContact O-CG 3.33Å; A30-L34 PolarHBondContact O-N 2.83Å; D31-L34 PolarHBondContact O-N 3.43Å; K32-L34 VanDerWaalsContact C-N 3.25Å; K32-L34 PolarHBondContact O-N 3.26Å; L34-E36 VanDerWaalsContact C-N 3.32Å; L34-E36 PolarHBondContact O-N 3.12Å; L34-F37 WeakPolarHBondContact O-CB 3.49Å; L34-F37 PolarHBondContact O-N 3.45Å; L34-C38 PolarHBondContact O-N 2.98Å; L34-C38 VanDerWaalsContact O-N 3.08Å; L34-L59 HydrophobicContact CB-CD2 4.26Å; L34-L59 HydrophobicContact CD1-CD2 3.41Å; L34-L59 VanDerWaalsContact CD1-CD2 3.41Å; L34-L59 HydrophobicContact CD2-CD2 3.2Å; L34-L59 HydrophobicContact CG-CD2 3.74Å |
| 35 | S | 58.3 | Low | 58.6 | Low | 26 Ų | 26 | 68.8 Ų | 68.8 | 18% | 0.182 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 175.9 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | D31 K32 F37 C38 K39 Q74 | D31-S35 PolarHBondContact O-N 3.33Å; K32-S35 PolarHBondContact O-N 3.17Å; S35-F37 VanDerWaalsContact C-N 3.31Å; S35-F37 PolarHBondContact O-N 3.44Å; S35-C38 PolarHBondContact O-N 2.96Å; S35-K39 WeakPolarHBondContact O-CG 3.27Å; S35-K39 PolarHBondContact O-N 3.43Å; S35-Q74 PolarHBondContact OG-OE1 3.37Å; S35-Q74 VanDerWaalsContact OG-OE1 3.1Å |
| 36 | E | 64.6 | Low | 58.4 | Low | 108 Ų | 108 | 62.9 Ų | 62.9 | 51% | 0.505 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.5 | -35.1 | 174.6 | -74.6 | -178.8 | -172.5 | 0 | 0 | 112.4 | K32 L34 | K32-E36 VanDerWaalsContact CE-OE1 3.31Å; K32-E36 WeakPolarHBondContact CE-OE1 3.25Å; K32-E36 PolarHBondContact O-N 2.94Å; K32-E36 VanDerWaalsContact O-N 3.08Å; L34-E36 VanDerWaalsContact C-N 3.32Å; L34-E36 PolarHBondContact O-N 3.12Å |
| 37 | F | 62.3 | Low | 58.2 | Low | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.4 | -49.4 | 175.5 | 177.9 | -106.1 | 0 | 0 | 0 | 112.4 | L3 F11 A33 L34 S35 K39 R40 V43 L55 L59 | L3-F37 HydrophobicContact CD1-CE2 3.48Å; L3-F37 VanDerWaalsContact CD1-CE2 3.48Å; L3-F37 HydrophobicContact CD1-CZ 3.46Å; L3-F37 VanDerWaalsContact CD1-CZ 3.46Å; L3-F37 HydrophobicContact CD2-CE2 3.83Å; L3-F37 HydrophobicContact CG-CE2 4.33Å; F11-F37 HydrophobicContact CD1-CB 4.43Å; F11-F37 HydrophobicContact CD1-CD2 4.45Å; F11-F37 HydrophobicContact CD1-CG 4.3Å; F11-F37 AromaticContact CD2-CD2 3.92Å; F11-F37 HydrophobicContact CD2-CD2 3.92Å; F11-F37 AromaticContact CD2-CE2 3.8Å; F11-F37 HydrophobicContact CD2-CE2 3.8Å; F11-F37 HydrophobicContact CD2-CG 4.48Å; F11-F37 HydrophobicContact CD2-CZ 4.29Å; F11-F37 HydrophobicContact CE1-CB 3.64Å; F11-F37 AromaticContact CE1-CD2 3.86Å; F11-F37 HydrophobicContact CE1-CD2 3.86Å; F11-F37 AromaticContact CE1-CG 3.8Å; F11-F37 HydrophobicContact CE1-CG 3.8Å; F11-F37 AromaticContact CE2-CD2 3.25Å; F11-F37 HydrophobicContact CE2-CD2 3.25Å; F11-F37 AromaticContact CE2-CE2 3.45Å; F11-F37 HydrophobicContact CE2-CE2 3.45Å; F11-F37 VanDerWaalsContact CE2-CE2 3.45Å; F11-F37 HydrophobicContact CE2-CG 4.03Å; F11-F37 HydrophobicContact CE2-CZ 4.36Å; F11-F37 HydrophobicContact CG-CD2 4.5Å; F11-F37 HydrophobicContact CZ-CB 3.75Å; F11-F37 AromaticContact CZ-CD2 3.22Å; F11-F37 HydrophobicContact CZ-CD2 3.22Å; F11-F37 AromaticContact CZ-CE2 3.94Å; F11-F37 HydrophobicContact CZ-CE2 3.94Å; F11-F37 AromaticContact CZ-CG 3.67Å; F11-F37 HydrophobicContact CZ-CG 3.67Å; A33-F37 PolarHBondContact O-N 2.93Å; L34-F37 WeakPolarHBondContact O-CB 3.49Å; L34-F37 PolarHBondContact O-N 3.45Å; S35-F37 VanDerWaalsContact C-N 3.31Å; S35-F37 PolarHBondContact O-N 3.44Å; F37-K39 PolarHBondContact O-N 3.37Å; F37-R40 WeakPolarHBondContact O-CB 3.42Å; F37-R40 PolarHBondContact O-N 3.48Å; F37-V43 HydrophobicContact CD1-CG2 4.25Å; F37-V43 HydrophobicContact CD2-CG2 4.1Å; F37-V43 HydrophobicContact CE1-CG1 4.2Å; F37-V43 HydrophobicContact CE1-CG2 3.91Å; F37-V43 HydrophobicContact CE2-CG2 3.77Å; F37-V43 HydrophobicContact CG-CG2 4.35Å; F37-V43 HydrophobicContact CZ-CG1 4.38Å; F37-V43 HydrophobicContact CZ-CG2 3.67Å; F37-V43 WeakPolarHBondContact O-CG2 3.47Å; F37-L55 HydrophobicContact CZ-CD2 4.44Å; F37-L59 HydrophobicContact CD1-CD1 3.74Å; F37-L59 HydrophobicContact CE1-CD1 3.65Å |
| 38 | C | 57.1 | Low | 57.9 | Low | 15 Ų | 15 | 61.4 Ų | 61.4 | 10% | 0.101 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.1 | -19.6 | -179.4 | -73.6 | 0 | 0 | 0 | 0 | 114.7 | L34 S35 R40 F75 | L34-C38 PolarHBondContact O-N 2.98Å; L34-C38 VanDerWaalsContact O-N 3.08Å; S35-C38 PolarHBondContact O-N 2.96Å; C38-R40 VanDerWaalsContact C-N 3.27Å; C38-F75 HydrophobicContact CB-CE1 4.19Å; C38-F75 WeakPolarHBondContact SG-CE1 3.35Å |
| 39 | K | 60.3 | Low | 57.9 | Low | 121 Ų | 121 | 57.3 Ų | 57.3 | 53% | 0.526 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -14.5 | 173.1 | -72.9 | 175.4 | -178.9 | -180 | 0 | 113.3 | S35 F37 P41 Q74 | S35-K39 WeakPolarHBondContact O-CG 3.27Å; S35-K39 PolarHBondContact O-N 3.43Å; F37-K39 PolarHBondContact O-N 3.37Å; K39-P41 WeakPolarHBondContact O-CD 3.43Å; K39-Q74 VanDerWaalsContact CE-OE1 3.3Å |
| 40 | R | 62.5 | Low | 57.3 | Low | 110 Ų | 110 | 60.2 Ų | 60.2 | 42% | 0.415 | 31% | 0.311 | S | S | . | . | trans | -73.5 | 123.4 | -179 | -65.1 | -176.9 | -178.4 | -174.4 | 2 | 110.2 | F37 C38 E42 V43 | F37-R40 WeakPolarHBondContact O-CB 3.42Å; F37-R40 PolarHBondContact O-N 3.48Å; C38-R40 VanDerWaalsContact C-N 3.27Å; R40-E42 PolarHBondContact O-N 3.34Å; R40-V43 HydrophobicContact CB-CG2 4.06Å; R40-V43 PolarHBondContact O-N 3.23Å | ||
| 41 | P | 53.2 | Low | 56.9 | Low | 105 Ų | 105 | 65.7 Ų | 65.7 | 68% | 0.682 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62 | -25.1 | 176.6 | 24 | -32 | 0 | 0 | 0 | 112.5 | K39 V43 F44 A45 | K39-P41 WeakPolarHBondContact O-CD 3.43Å; P41-V43 VanDerWaalsContact C-N 3.26Å; P41-V43 PolarHBondContact O-N 3.3Å; P41-F44 PolarHBondContact O-N 2.92Å; P41-A45 PolarHBondContact O-N 3.35Å |
| 42 | E | 55.1 | Low | 57.3 | Low | 95 Ų | 95 | 64.4 Ų | 64.4 | 44% | 0.444 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64 | -27.5 | 178.4 | -62.5 | 174.6 | 179.4 | 0 | 0 | 113.5 | R40 A45 N46 | R40-E42 PolarHBondContact O-N 3.34Å; E42-A45 PolarHBondContact O-N 2.69Å; E42-N46 PolarHBondContact O-N 3.35Å; E42-N46 PolarHBondContact O-ND2 2.96Å |
| 43 | V | 54.3 | Low | 57.4 | Low | 8 Ų | 8 | 60.4 Ų | 60.4 | 5% | 0.048 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.2 | -50.9 | 178.4 | 173.2 | 0 | 0 | 0 | 0 | 109.1 | F37 R40 P41 A45 N46 V47 F56 | F37-V43 HydrophobicContact CD1-CG2 4.25Å; F37-V43 HydrophobicContact CD2-CG2 4.1Å; F37-V43 HydrophobicContact CE1-CG1 4.2Å; F37-V43 HydrophobicContact CE1-CG2 3.91Å; F37-V43 HydrophobicContact CE2-CG2 3.77Å; F37-V43 HydrophobicContact CG-CG2 4.35Å; F37-V43 HydrophobicContact CZ-CG1 4.38Å; F37-V43 HydrophobicContact CZ-CG2 3.67Å; F37-V43 WeakPolarHBondContact O-CG2 3.47Å; R40-V43 HydrophobicContact CB-CG2 4.06Å; R40-V43 PolarHBondContact O-N 3.23Å; P41-V43 VanDerWaalsContact C-N 3.26Å; P41-V43 PolarHBondContact O-N 3.3Å; V43-A45 VanDerWaalsContact C-N 3.33Å; V43-A45 PolarHBondContact O-N 3.19Å; V43-N46 PolarHBondContact O-N 3.24Å; V43-V47 WeakPolarHBondContact O-CG2 3.34Å; V43-V47 PolarHBondContact O-N 3.26Å; V43-F56 HydrophobicContact CG1-CD2 4.3Å |
| 44 | F | 52.4 | Low | 57.6 | Low | 49 Ų | 49 | 62.7 Ų | 62.7 | 22% | 0.215 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.1 | -29.9 | 179.9 | -65.2 | -78.6 | 0 | 0 | 0 | 113.6 | P41 F56 A78 V82 | P41-F44 PolarHBondContact O-N 2.92Å; F44-F56 HydrophobicContact CE1-CE2 4.07Å; F44-F56 HydrophobicContact CE1-CZ 4.21Å; F44-F56 HydrophobicContact CZ-CE2 4.3Å; F44-A78 HydrophobicContact CZ-CB 4.12Å; F44-V82 HydrophobicContact CE1-CG2 4.11Å |
| 45 | A | 53.2 | Low | 58.2 | Low | 71 Ų | 71 | 63.1 Ų | 63.1 | 59% | 0.587 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -76.7 | -19.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | P41 E42 V43 | P41-A45 PolarHBondContact O-N 3.35Å; E42-A45 PolarHBondContact O-N 2.69Å; V43-A45 VanDerWaalsContact C-N 3.33Å; V43-A45 PolarHBondContact O-N 3.19Å |
| 46 | N | 51.2 | Low | 59.1 | Low | 37 Ų | 37 | 62 Ų | 62 | 20% | 0.198 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -121.3 | 2.9 | -174.5 | -55.8 | -82.6 | 0 | 0 | 0 | 114.9 | M1 E42 V43 H48 L49 E52 | M1-N46 PolarHBondContact N-ND2 2.98Å; M1-N46 PolarHBondContact N-OD1 3.27Å; M1-N46 VanDerWaalsContact O-CG 3.27Å; M1-N46 PolarHBondContact O-ND2 3.48Å; E42-N46 PolarHBondContact O-N 3.35Å; E42-N46 PolarHBondContact O-ND2 2.96Å; V43-N46 PolarHBondContact O-N 3.24Å; N46-H48 PolarHBondContact O-N 2.93Å; N46-L49 PolarHBondContact O-N 2.76Å; N46-E52 WeakPolarHBondContact CB-OE2 3.32Å |
| 47 | V | 52.4 | Low | 60 | Low | 6 Ų | 6 | 57 Ų | 57 | 4% | 0.036 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -15 | -176.7 | -165.9 | 0 | 0 | 0 | 0 | 115.2 | V43 L49 R53 L99 | V43-V47 WeakPolarHBondContact O-CG2 3.34Å; V43-V47 PolarHBondContact O-N 3.26Å; V47-L49 PolarHBondContact O-N 2.89Å; V47-R53 HydrophobicContact CG1-CB 4.07Å; V47-R53 HydrophobicContact CG1-CG 4.4Å; V47-L99 HydrophobicContact CG1-CD1 3.59Å; V47-L99 HydrophobicContact CG1-CD2 4.16Å; V47-L99 HydrophobicContact CG1-CG 4.47Å |
| 48 | H | 48.6 | Very low | 60.9 | Low | 125 Ų | 125 | 59.6 Ų | 59.6 | 58% | 0.579 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -27.1 | 176.8 | -69.1 | -83.9 | 0 | 0 | 0 | 115 | N46 L50 I95 | N46-H48 PolarHBondContact O-N 2.93Å; H48-L50 PolarHBondContact O-N 3.22Å; H48-I95 WeakPolarHBondContact CE1-CD1 3.29Å; H48-I95 WeakPolarHBondContact CE1-CG1 2.86Å; H48-I95 WeakPolarHBondContact NE2-CD1 3.3Å |
| 49 | L | 57.6 | Low | 61.8 | Low | 83 Ų | 83 | 58.9 Ų | 58.9 | 44% | 0.435 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -67.1 | 122.4 | 173.8 | -70.7 | 173.5 | 0 | 0 | 0 | 109.6 | A2 N46 V47 L51 E52 R53 | A2-L49 HydrophobicContact CB-CD1 3.66Å; N46-L49 PolarHBondContact O-N 2.76Å; V47-L49 PolarHBondContact O-N 2.89Å; L49-L51 PolarHBondContact O-N 3.27Å; L49-E52 HydrophobicContact CB-CB 4.17Å; L49-E52 HydrophobicContact CB-CG 3.94Å; L49-E52 HydrophobicContact CD1-CG 4.37Å; L49-E52 WeakPolarHBondContact O-CA 3.44Å; L49-E52 PolarHBondContact O-N 3.45Å; L49-R53 PolarHBondContact O-N 3.08Å |
| 50 | L | 51.7 | Low | 62.8 | Low | 120 Ų | 120 | 53.1 Ų | 53.1 | 63% | 0.628 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -45.8 | -38.3 | 177.6 | -109.5 | 143.7 | 0 | 0 | 0 | 113.2 | H48 R53 T54 | H48-L50 PolarHBondContact O-N 3.22Å; L50-R53 VanDerWaalsContact CD2-NH2 3.29Å; L50-T54 PolarHBondContact O-N 3.38Å; L50-T54 VanDerWaalsContact O-N 3.09Å; L50-T54 PolarHBondContact O-OG1 3.23Å |
| 51 | L | 53.5 | Low | 63.7 | Low | 120 Ų | 120 | 48.8 Ų | 48.8 | 63% | 0.628 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -67.2 | -46.2 | 175.3 | -86.3 | 150.2 | 0 | 0 | 0 | 112.8 | L8 L49 R53 L55 | L8-L51 HydrophobicContact CD1-CB 4Å; L8-L51 HydrophobicContact CD2-CB 4.12Å; L49-L51 PolarHBondContact O-N 3.27Å; L51-R53 VanDerWaalsContact C-N 3.32Å; L51-R53 PolarHBondContact O-N 3.27Å; L51-L55 VanDerWaalsContact O-CB 3.24Å; L51-L55 WeakPolarHBondContact O-CB 3.33Å; L51-L55 PolarHBondContact O-N 3.19Å |
| 52 | E | 63.5 | Low | 64.8 | Low | 9 Ų | 9 | 44.3 Ų | 44.3 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.3 | -38.4 | 176.8 | -66.5 | -172.2 | -175 | 0 | 0 | 111.2 | L3 L8 N46 L49 F56 | L3-E52 WeakPolarHBondContact CB-OE1 3.22Å; L3-E52 HydrophobicContact CD1-CG 3.99Å; L3-E52 PolarHBondContact N-OE1 3.46Å; L8-E52 HydrophobicContact CD2-CG 3.97Å; N46-E52 WeakPolarHBondContact CB-OE2 3.32Å; L49-E52 HydrophobicContact CB-CB 4.17Å; L49-E52 HydrophobicContact CB-CG 3.94Å; L49-E52 HydrophobicContact CD1-CG 4.37Å; L49-E52 WeakPolarHBondContact O-CA 3.44Å; L49-E52 PolarHBondContact O-N 3.45Å; E52-F56 WeakPolarHBondContact O-CB 3.38Å; E52-F56 PolarHBondContact O-N 3.18Å |
| 53 | R | 67.5 | Low | 65.8 | Low | 34 Ų | 34 | 39.8 Ų | 39.8 | 13% | 0.128 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.3 | -53.2 | 176.3 | -174.2 | 174.4 | 73.3 | -168.7 | 1 | 112.6 | V47 L49 L50 L51 L55 F56 C57 E98 L99 S102 | V47-R53 HydrophobicContact CG1-CB 4.07Å; V47-R53 HydrophobicContact CG1-CG 4.4Å; L49-R53 PolarHBondContact O-N 3.08Å; L50-R53 VanDerWaalsContact CD2-NH2 3.29Å; L51-R53 VanDerWaalsContact C-N 3.32Å; L51-R53 PolarHBondContact O-N 3.27Å; R53-L55 VanDerWaalsContact C-N 3.3Å; R53-L55 PolarHBondContact O-N 3.38Å; R53-F56 PolarHBondContact O-N 2.99Å; R53-C57 PolarHBondContact O-N 3.03Å; R53-C57 PolarHBondContact O-SG 3.4Å; R53-E98 IonicContact NH1-OE2 2.78Å; R53-E98 PolarHBondContact NH1-OE2 2.87Å; R53-L99 HydrophobicContact CG-CD1 3.82Å; R53-S102 VanDerWaalsContact CD-OG 3.26Å; R53-S102 WeakPolarHBondContact CD-OG 3.48Å; R53-S102 PolarHBondContact NE-OG 3.24Å; R53-S102 VanDerWaalsContact NE-OG 3.07Å |
| 54 | T | 70.6 | Confident | 67.1 | Low | 71 Ų | 71 | 39.5 Ų | 39.5 | 44% | 0.436 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.1 | -40.8 | -179.8 | -51.8 | 0 | 0 | 0 | 0 | 110.7 | L50 C57 R58 | L50-T54 PolarHBondContact O-N 3.38Å; L50-T54 VanDerWaalsContact O-N 3.09Å; L50-T54 PolarHBondContact O-OG1 3.23Å; T54-C57 PolarHBondContact O-N 3.23Å; T54-R58 WeakPolarHBondContact O-CB 2.88Å; T54-R58 PolarHBondContact O-N 3.05Å |
| 55 | L | 71.7 | Confident | 68.3 | Low | 9 Ų | 9 | 40.2 Ų | 40.2 | 5% | 0.047 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.6 | -48.8 | 174.8 | -177.8 | 68.9 | 0 | 0 | 0 | 111.1 | L8 F11 D12 F37 L51 R53 C57 R58 L59 | L8-L55 HydrophobicContact CD2-CD2 3.84Å; F11-L55 HydrophobicContact CB-CD1 4.03Å; F11-L55 HydrophobicContact CB-CD2 3.59Å; F11-L55 HydrophobicContact CB-CG 4.36Å; F11-L55 HydrophobicContact CG-CD2 4.35Å; D12-L55 HydrophobicContact CB-CD1 4.39Å; F37-L55 HydrophobicContact CZ-CD2 4.44Å; L51-L55 VanDerWaalsContact O-CB 3.24Å; L51-L55 WeakPolarHBondContact O-CB 3.33Å; L51-L55 PolarHBondContact O-N 3.19Å; R53-L55 VanDerWaalsContact C-N 3.3Å; R53-L55 PolarHBondContact O-N 3.38Å; L55-C57 PolarHBondContact O-N 3.37Å; L55-R58 PolarHBondContact O-N 3.11Å; L55-L59 HydrophobicContact CD1-CD1 4.35Å; L55-L59 HydrophobicContact CD1-CG 4.32Å; L55-L59 HydrophobicContact CD2-CD1 4.42Å; L55-L59 HydrophobicContact CG-CD1 3.85Å; L55-L59 HydrophobicContact CG-CG 4.26Å; L55-L59 WeakPolarHBondContact O-CB 3.42Å; L55-L59 WeakPolarHBondContact O-CG 3.44Å; L55-L59 PolarHBondContact O-N 3.17Å |
| 56 | F | 78.7 | Confident | 69.1 | Low | 3 Ų | 3 | 38.3 Ų | 38.3 | 1% | 0.013 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.5 | -49.4 | 177.1 | 174.1 | -93.5 | 0 | 0 | 0 | 112.2 | V43 F44 E52 R53 R58 L59 V60 A78 V82 L99 | V43-F56 HydrophobicContact CG1-CD2 4.3Å; F44-F56 HydrophobicContact CE1-CE2 4.07Å; F44-F56 HydrophobicContact CE1-CZ 4.21Å; F44-F56 HydrophobicContact CZ-CE2 4.3Å; E52-F56 WeakPolarHBondContact O-CB 3.38Å; E52-F56 PolarHBondContact O-N 3.18Å; R53-F56 PolarHBondContact O-N 2.99Å; F56-R58 VanDerWaalsContact C-N 3.33Å; F56-R58 PolarHBondContact O-N 3.34Å; F56-L59 WeakPolarHBondContact O-CB 3.49Å; F56-L59 PolarHBondContact O-N 3.36Å; F56-V60 HydrophobicContact CD1-CG2 4.22Å; F56-V60 HydrophobicContact CD2-CG2 4.35Å; F56-V60 HydrophobicContact CE1-CG2 3.81Å; F56-V60 HydrophobicContact CE2-CG2 3.95Å; F56-V60 HydrophobicContact CG-CG2 4.49Å; F56-V60 HydrophobicContact CZ-CG2 3.66Å; F56-V60 VanDerWaalsContact O-CG2 3.31Å; F56-V60 WeakPolarHBondContact O-CG2 3.46Å; F56-V60 PolarHBondContact O-N 3.47Å; F56-A78 HydrophobicContact CE2-CB 4.41Å; F56-A78 HydrophobicContact CZ-CB 4.25Å; F56-V82 HydrophobicContact CE1-CG2 4.43Å; F56-V82 HydrophobicContact CZ-CG2 4.24Å; F56-L99 HydrophobicContact CD1-CD1 3.65Å; F56-L99 HydrophobicContact CD1-CD2 4.34Å; F56-L99 HydrophobicContact CD1-CG 4.28Å; F56-L99 HydrophobicContact CE1-CD1 4.09Å; F56-L99 HydrophobicContact CE1-CD2 4.09Å; F56-L99 HydrophobicContact CE1-CG 4.21Å; F56-L99 HydrophobicContact CG-CD1 4.49Å |
| 57 | C | 83.6 | Confident | 70 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.9 | -43.2 | 179.5 | -64 | 0 | 0 | 0 | 0 | 111.6 | R53 T54 L55 V60 K61 S102 L103 E106 | R53-C57 PolarHBondContact O-N 3.03Å; R53-C57 PolarHBondContact O-SG 3.4Å; T54-C57 PolarHBondContact O-N 3.23Å; L55-C57 PolarHBondContact O-N 3.37Å; C57-V60 PolarHBondContact O-N 2.93Å; C57-K61 PolarHBondContact O-N 3.17Å; C57-S102 VanDerWaalsContact SG-C 3.58Å; C57-L103 HydrophobicContact CB-CD1 4.33Å; C57-L103 PolarHBondContact SG-N 3.44Å; C57-L103 VanDerWaalsContact SG-N 3.38Å; C57-E106 HydrophobicContact CB-CB 3.76Å; C57-E106 HydrophobicContact CB-CG 3.85Å |
| 58 | R | 79.2 | Confident | 70.6 | Confident | 60 Ų | 60 | 42.4 Ų | 42.4 | 23% | 0.226 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65 | -40.6 | 177.9 | -165.4 | 172.7 | -167.4 | 169.9 | 9.5 | 111.8 | D12 T54 L55 F56 K61 V62 | D12-R58 IonicContact OD1-NH1 2.87Å; T54-R58 WeakPolarHBondContact O-CB 2.88Å; T54-R58 PolarHBondContact O-N 3.05Å; L55-R58 PolarHBondContact O-N 3.11Å; F56-R58 VanDerWaalsContact C-N 3.33Å; F56-R58 PolarHBondContact O-N 3.34Å; R58-K61 PolarHBondContact O-N 3.35Å; R58-V62 WeakPolarHBondContact O-CB 3.18Å; R58-V62 VanDerWaalsContact O-CG2 3.28Å; R58-V62 WeakPolarHBondContact O-CG2 3.4Å; R58-V62 PolarHBondContact O-N 2.9Å |
| 59 | L | 76.4 | Confident | 71.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.4 | -49.7 | 174.6 | -74.2 | 172 | 0 | 0 | 0 | 111.8 | C15 L34 F37 L55 F56 K61 V62 S63 | C15-L59 WeakPolarHBondContact SG-CD2 3.49Å; L34-L59 HydrophobicContact CB-CD2 4.26Å; L34-L59 HydrophobicContact CD1-CD2 3.41Å; L34-L59 VanDerWaalsContact CD1-CD2 3.41Å; L34-L59 HydrophobicContact CD2-CD2 3.2Å; L34-L59 HydrophobicContact CG-CD2 3.74Å; F37-L59 HydrophobicContact CD1-CD1 3.74Å; F37-L59 HydrophobicContact CE1-CD1 3.65Å; L55-L59 HydrophobicContact CD1-CD1 4.35Å; L55-L59 HydrophobicContact CD1-CG 4.32Å; L55-L59 HydrophobicContact CD2-CD1 4.42Å; L55-L59 HydrophobicContact CG-CD1 3.85Å; L55-L59 HydrophobicContact CG-CG 4.26Å; L55-L59 WeakPolarHBondContact O-CB 3.42Å; L55-L59 WeakPolarHBondContact O-CG 3.44Å; L55-L59 PolarHBondContact O-N 3.17Å; F56-L59 WeakPolarHBondContact O-CB 3.49Å; F56-L59 PolarHBondContact O-N 3.36Å; L59-K61 VanDerWaalsContact C-N 3.28Å; L59-K61 PolarHBondContact O-N 2.94Å; L59-V62 PolarHBondContact O-N 3.11Å; L59-S63 WeakPolarHBondContact O-CB 3.23Å; L59-S63 PolarHBondContact O-N 3.46Å |
| 60 | V | 81.6 | Confident | 71.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.2 | -41.3 | 178.7 | 175 | 0 | 0 | 0 | 0 | 111 | F56 C57 W64 F75 V79 L103 M107 | F56-V60 HydrophobicContact CD1-CG2 4.22Å; F56-V60 HydrophobicContact CD2-CG2 4.35Å; F56-V60 HydrophobicContact CE1-CG2 3.81Å; F56-V60 HydrophobicContact CE2-CG2 3.95Å; F56-V60 HydrophobicContact CG-CG2 4.49Å; F56-V60 HydrophobicContact CZ-CG2 3.66Å; F56-V60 VanDerWaalsContact O-CG2 3.31Å; F56-V60 WeakPolarHBondContact O-CG2 3.46Å; F56-V60 PolarHBondContact O-N 3.47Å; C57-V60 PolarHBondContact O-N 2.93Å; V60-W64 HydrophobicContact CG1-CE3 3.75Å; V60-W64 HydrophobicContact CG1-CZ3 3.7Å; V60-W64 WeakPolarHBondContact O-CA 3.3Å; V60-W64 PolarHBondContact O-N 3.43Å; V60-W64 VanDerWaalsContact O-N 3.07Å; V60-F75 HydrophobicContact CG1-CB 4.47Å; V60-F75 HydrophobicContact CG2-CD1 4.33Å; V60-V79 HydrophobicContact CG1-CG2 3.75Å; V60-L103 HydrophobicContact CB-CD1 4.05Å; V60-L103 HydrophobicContact CG1-CD1 3.91Å; V60-M107 HydrophobicContact CB-CE 4.44Å; V60-M107 HydrophobicContact CG1-CE 3.65Å |
| 61 | K | 82.2 | Confident | 72.3 | Confident | 18 Ų | 18 | 40.7 Ų | 40.7 | 8% | 0.078 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.7 | -46.6 | 176.6 | -179.9 | 178.1 | 174.2 | -176.7 | 0 | 113 | C57 R58 L59 E106 M107 Q109 V122 | C57-K61 PolarHBondContact O-N 3.17Å; R58-K61 PolarHBondContact O-N 3.35Å; L59-K61 VanDerWaalsContact C-N 3.28Å; L59-K61 PolarHBondContact O-N 2.94Å; K61-E106 HydrophobicContact CB-CG 4.47Å; K61-E106 HydrophobicContact CD-CG 3.93Å; K61-E106 WeakPolarHBondContact CD-O 3.46Å; K61-E106 WeakPolarHBondContact CD-OE1 3.13Å; K61-E106 WeakPolarHBondContact CE-O 3.33Å; K61-E106 PolarHBondContact NZ-O 3.29Å; K61-E106 IonicContact NZ-OE1 2.71Å; K61-E106 PolarHBondContact NZ-OE1 2.94Å; K61-M107 HydrophobicContact CB-CE 4.21Å; K61-M107 HydrophobicContact CB-SD 3.85Å; K61-M107 HydrophobicContact CG-SD 3.99Å; K61-Q109 PolarHBondContact NZ-O 3.12Å; K61-V122 HydrophobicContact CG-CG1 4.22Å |
| 62 | V | 75.3 | Confident | 73 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 7% | 0.073 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.9 | -35.6 | -177.6 | 171.9 | 0 | 0 | 0 | 0 | 112.1 | L18 L19 R58 L59 R118 | L18-V62 HydrophobicContact CB-CG1 4.02Å; L18-V62 HydrophobicContact CD1-CG1 4.39Å; L18-V62 HydrophobicContact CD2-CG1 4.18Å; L18-V62 HydrophobicContact CG-CG1 4.44Å; L19-V62 HydrophobicContact CD1-CG2 4.31Å; L19-V62 HydrophobicContact CD2-CG2 3.84Å; L19-V62 HydrophobicContact CG-CG2 4.08Å; R58-V62 WeakPolarHBondContact O-CB 3.18Å; R58-V62 VanDerWaalsContact O-CG2 3.28Å; R58-V62 WeakPolarHBondContact O-CG2 3.4Å; R58-V62 PolarHBondContact O-N 2.9Å; L59-V62 PolarHBondContact O-N 3.11Å; V62-R118 PolarHBondContact O-NH2 3.47Å |
| 63 | S | 77.2 | Confident | 73.5 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 17.9 | -175 | -60.2 | 0 | 0 | 0 | 0 | 113.6 | L59 F65 N66 F75 | L59-S63 WeakPolarHBondContact O-CB 3.23Å; L59-S63 PolarHBondContact O-N 3.46Å; S63-F65 VanDerWaalsContact C-N 3.26Å; S63-F65 PolarHBondContact O-N 2.87Å; S63-F65 VanDerWaalsContact O-N 3.14Å; S63-N66 WeakPolarHBondContact CB-ND2 3.41Å; S63-N66 VanDerWaalsContact O-CB 3.29Å; S63-N66 WeakPolarHBondContact O-CB 3.46Å; S63-N66 PolarHBondContact O-N 3.05Å; S63-N66 PolarHBondContact OG-ND2 3.3Å; S63-F75 VanDerWaalsContact CB-CD2 3.47Å; S63-F75 VanDerWaalsContact CB-CZ 3.44Å; S63-F75 VanDerWaalsContact O-CD2 3.22Å; S63-F75 WeakPolarHBondContact O-CD2 3.4Å |
| 64 | W | 80.8 | Confident | 73.7 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -35.8 | -174.4 | -172.9 | -106.2 | 0 | 0 | 0 | 115.3 | V60 Q76 V79 M107 V122 S125 F126 Y130 | V60-W64 HydrophobicContact CG1-CE3 3.75Å; V60-W64 HydrophobicContact CG1-CZ3 3.7Å; V60-W64 WeakPolarHBondContact O-CA 3.3Å; V60-W64 PolarHBondContact O-N 3.43Å; V60-W64 VanDerWaalsContact O-N 3.07Å; W64-Q76 HydrophobicContact CD2-CG 4.02Å; W64-Q76 HydrophobicContact CE3-CG 4.09Å; W64-Q76 HydrophobicContact CH2-CB 4.46Å; W64-Q76 HydrophobicContact CH2-CG 3.86Å; W64-Q76 HydrophobicContact CZ2-CG 3.76Å; W64-Q76 HydrophobicContact CZ3-CG 4.02Å; W64-Q76 PolarHBondContact O-NE2 2.93Å; W64-V79 HydrophobicContact CH2-CG2 4.15Å; W64-V79 HydrophobicContact CZ3-CG2 3.71Å; W64-M107 HydrophobicContact CD2-CE 4.17Å; W64-M107 HydrophobicContact CE3-CE 3.41Å; W64-M107 VanDerWaalsContact CE3-CE 3.41Å; W64-M107 HydrophobicContact CH2-CE 4.41Å; W64-M107 HydrophobicContact CZ3-CE 3.56Å; W64-V122 HydrophobicContact CB-CB 4.24Å; W64-V122 HydrophobicContact CB-CG1 3.63Å; W64-V122 HydrophobicContact CB-CG2 3.69Å; W64-V122 HydrophobicContact CD2-CG1 4.18Å; W64-V122 HydrophobicContact CG-CB 4.28Å; W64-V122 HydrophobicContact CG-CG1 3.63Å; W64-V122 HydrophobicContact CG-CG2 4.11Å; W64-S125 VanDerWaalsContact NE1-CB 3.3Å; W64-S125 PolarHBondContact NE1-OG 3.46Å; W64-F126 HydrophobicContact CH2-CB 4.22Å; W64-F126 AromaticContact CH2-CD2 3.69Å; W64-F126 HydrophobicContact CH2-CD2 3.69Å; W64-F126 HydrophobicContact CH2-CG 4.46Å; W64-F126 HydrophobicContact CZ2-CB 3.92Å; W64-F126 HydrophobicContact CZ2-CD2 4.23Å; W64-F126 HydrophobicContact CZ3-CD2 4.2Å; W64-Y130 AromaticContact CH2-CD2 3.48Å; W64-Y130 HydrophobicContact CH2-CD2 3.48Å; W64-Y130 VanDerWaalsContact CH2-CD2 3.48Å; W64-Y130 AromaticContact CH2-CE2 3.73Å; W64-Y130 HydrophobicContact CH2-CE2 3.73Å; W64-Y130 AromaticContact CZ2-CD2 3.81Å; W64-Y130 HydrophobicContact CZ2-CD2 3.81Å; W64-Y130 AromaticContact CZ2-CE2 4Å; W64-Y130 HydrophobicContact CZ2-CE2 4Å |
| 65 | F | 77.3 | Confident | 74 | Confident | 64 Ų | 64 | 39.4 Ų | 39.4 | 28% | 0.281 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 13.4 | 179.5 | -63.9 | -65.8 | 0 | 0 | 0 | 113.1 | S63 F67 K121 V122 | S63-F65 VanDerWaalsContact C-N 3.26Å; S63-F65 PolarHBondContact O-N 2.87Å; S63-F65 VanDerWaalsContact O-N 3.14Å; F65-F67 WeakPolarHBondContact O-CD2 3.37Å; F65-F67 WeakPolarHBondContact O-CE2 3.29Å; F65-F67 PolarHBondContact O-N 2.67Å; F65-K121 HydrophobicContact CE2-CB 3.97Å; F65-K121 HydrophobicContact CZ-CB 4.19Å; F65-V122 HydrophobicContact CD2-CG2 3.85Å; F65-V122 HydrophobicContact CE2-CB 4.41Å; F65-V122 HydrophobicContact CE2-CG2 3.55Å |
| 66 | N | 69.9 | Low | 74.5 | Confident | 31 Ų | 31 | 39.8 Ų | 39.8 | 17% | 0.166 | 21% | 0.213 | C | C | . | . | trans | -79 | 120.9 | 179.4 | -71.1 | 8.8 | 0 | 0 | 0 | 109.7 | D31 S63 F75 | D31-N66 PolarHBondContact OD1-ND2 3.35Å; S63-N66 WeakPolarHBondContact CB-ND2 3.41Å; S63-N66 VanDerWaalsContact O-CB 3.29Å; S63-N66 WeakPolarHBondContact O-CB 3.46Å; S63-N66 PolarHBondContact O-N 3.05Å; S63-N66 PolarHBondContact OG-ND2 3.3Å; N66-F75 HydrophobicContact CB-CD2 4.24Å; N66-F75 HydrophobicContact CB-CE2 4.17Å | ||
| 67 | F | 70.7 | Confident | 74.5 | Confident | 103 Ų | 103 | 41.9 Ų | 41.9 | 45% | 0.452 | 23% | 0.226 | S | C | . | . | trans | -87 | 142.7 | 172.5 | -61 | -89.5 | 0 | 0 | 0 | 110.1 | F65 G71 E72 M73 | F65-F67 WeakPolarHBondContact O-CD2 3.37Å; F65-F67 WeakPolarHBondContact O-CE2 3.29Å; F65-F67 PolarHBondContact O-N 2.67Å; F67-G71 WeakPolarHBondContact CD1-O 3.43Å; F67-E72 WeakPolarHBondContact CA-O 3.39Å; F67-M73 HydrophobicContact CD1-CE 4.42Å; F67-M73 HydrophobicContact CD1-CG 3.99Å; F67-M73 HydrophobicContact CE1-CE 3.41Å; F67-M73 VanDerWaalsContact CE1-CE 3.41Å; F67-M73 HydrophobicContact CE1-CG 3.84Å; F67-M73 HydrophobicContact CE1-SD 4.46Å; F67-M73 HydrophobicContact CE2-CE 4.15Å; F67-M73 HydrophobicContact CZ-CE 3.24Å; F67-M73 HydrophobicContact CZ-CG 4.41Å | ||
| 68 | D | 65.1 | Low | 74.2 | Confident | 27 Ų | 27 | 42.1 Ų | 42.1 | 14% | 0.144 | 23% | 0.228 | C | C | . | . | trans | -83.9 | -176.3 | 167.7 | 69.1 | 11 | 0 | 0 | 0 | 112.6 | D70 G71 E72 Q74 | D68-D70 PolarHBondContact O-N 3.02Å; D68-D70 WeakPolarHBondContact OD1-CA 3.17Å; D68-D70 WeakPolarHBondContact OD1-CB 3.39Å; D68-D70 PolarHBondContact OD1-N 3.09Å; D68-G71 PolarHBondContact O-N 3.08Å; D68-G71 VanDerWaalsContact O-N 3.16Å; D68-G71 PolarHBondContact OD1-N 3.41Å; D68-E72 PolarHBondContact N-O 3.48Å; D68-E72 PolarHBondContact OD1-N 3.04Å; D68-Q74 HydrophobicContact CB-CG 3.82Å; D68-Q74 VanDerWaalsContact OD2-CG 3.26Å; D68-Q74 WeakPolarHBondContact OD2-CG 3.35Å; D68-Q74 PolarHBondContact OD2-NE2 2.73Å | ||
| 69 | S | 63.1 | Low | 74.5 | Confident | 111 Ų | 111 | 39.2 Ų | 39.2 | 78% | 0.776 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.8 | 176.3 | 49.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 70 | D | 63.4 | Low | 74.9 | Confident | 135 Ų | 135 | 44.6 Ų | 44.6 | 72% | 0.722 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -3.5 | -177.9 | -57.6 | -38.4 | 0 | 0 | 0 | 111.7 | D68 | D68-D70 PolarHBondContact O-N 3.02Å; D68-D70 WeakPolarHBondContact OD1-CA 3.17Å; D68-D70 WeakPolarHBondContact OD1-CB 3.39Å; D68-D70 PolarHBondContact OD1-N 3.09Å |
| 71 | G | 66.4 | Low | 74.9 | Confident | 46 Ų | 46 | 51.1 Ų | 51.1 | 47% | 0.474 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 84.6 | 12.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | F67 D68 | F67-G71 WeakPolarHBondContact CD1-O 3.43Å; D68-G71 PolarHBondContact O-N 3.08Å; D68-G71 VanDerWaalsContact O-N 3.16Å; D68-G71 PolarHBondContact OD1-N 3.41Å |
| 72 | E | 67.9 | Low | 75 | Confident | 116 Ų | 116 | 50.3 Ų | 50.3 | 54% | 0.542 | 26% | 0.262 | S | S | . | . | trans | -93.5 | 142.9 | 179.1 | -73.6 | -70.9 | 160.6 | 0 | 0 | 111.6 | F67 D68 Q74 | F67-E72 WeakPolarHBondContact CA-O 3.39Å; D68-E72 PolarHBondContact N-O 3.48Å; D68-E72 PolarHBondContact OD1-N 3.04Å; E72-Q74 PolarHBondContact O-N 3.45Å; E72-Q74 VanDerWaalsContact O-N 3.08Å | ||
| 73 | M | 75.6 | Confident | 75.5 | Confident | 49 Ų | 49 | 51.1 Ų | 51.1 | 24% | 0.241 | 27% | 0.265 | C | S | . | . | trans | -83.5 | 79 | 175.6 | -65.4 | 179.5 | 179.5 | 0 | 0 | 110 | F67 F75 Q76 V77 | F67-M73 HydrophobicContact CD1-CE 4.42Å; F67-M73 HydrophobicContact CD1-CG 3.99Å; F67-M73 HydrophobicContact CE1-CE 3.41Å; F67-M73 VanDerWaalsContact CE1-CE 3.41Å; F67-M73 HydrophobicContact CE1-CG 3.84Å; F67-M73 HydrophobicContact CE1-SD 4.46Å; F67-M73 HydrophobicContact CE2-CE 4.15Å; F67-M73 HydrophobicContact CZ-CE 3.24Å; F67-M73 HydrophobicContact CZ-CG 4.41Å; M73-F75 PolarHBondContact O-N 2.97Å; M73-Q76 HydrophobicContact CB-CB 4.1Å; M73-Q76 HydrophobicContact CB-CG 3.94Å; M73-Q76 WeakPolarHBondContact O-CB 3.4Å; M73-Q76 PolarHBondContact O-N 3.16Å; M73-Q76 HydrophobicContact SD-CG 4.42Å; M73-Q76 PolarHBondContact SD-NE2 2.73Å; M73-V77 PolarHBondContact O-N 3.37Å | ||
| 74 | Q | 70.1 | Confident | 75.8 | Confident | 38 Ų | 38 | 55.8 Ų | 55.8 | 18% | 0.178 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -51.9 | -35.7 | -171.2 | -73.7 | -175.2 | -8.4 | 0 | 0 | 114.8 | S35 K39 D68 E72 Q76 V77 A78 | S35-Q74 PolarHBondContact OG-OE1 3.37Å; S35-Q74 VanDerWaalsContact OG-OE1 3.1Å; K39-Q74 VanDerWaalsContact CE-OE1 3.3Å; D68-Q74 HydrophobicContact CB-CG 3.82Å; D68-Q74 VanDerWaalsContact OD2-CG 3.26Å; D68-Q74 WeakPolarHBondContact OD2-CG 3.35Å; D68-Q74 PolarHBondContact OD2-NE2 2.73Å; E72-Q74 PolarHBondContact O-N 3.45Å; E72-Q74 VanDerWaalsContact O-N 3.08Å; Q74-Q76 VanDerWaalsContact C-N 3.33Å; Q74-V77 WeakPolarHBondContact O-CB 3.33Å; Q74-V77 PolarHBondContact O-N 3.22Å; Q74-A78 PolarHBondContact O-N 3.28Å |
| 75 | F | 77.7 | Confident | 75.8 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 1% | 0.013 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -71.9 | -27.8 | -179.7 | -65.3 | -89 | 0 | 0 | 0 | 112.7 | C38 V60 S63 N66 M73 A78 V79 | C38-F75 HydrophobicContact CB-CE1 4.19Å; C38-F75 WeakPolarHBondContact SG-CE1 3.35Å; V60-F75 HydrophobicContact CG1-CB 4.47Å; V60-F75 HydrophobicContact CG2-CD1 4.33Å; S63-F75 VanDerWaalsContact CB-CD2 3.47Å; S63-F75 VanDerWaalsContact CB-CZ 3.44Å; S63-F75 VanDerWaalsContact O-CD2 3.22Å; S63-F75 WeakPolarHBondContact O-CD2 3.4Å; N66-F75 HydrophobicContact CB-CD2 4.24Å; N66-F75 HydrophobicContact CB-CE2 4.17Å; M73-F75 PolarHBondContact O-N 2.97Å; F75-A78 WeakPolarHBondContact O-CB 3.31Å; F75-V79 PolarHBondContact O-N 2.91Å |
| 76 | Q | 82.5 | Confident | 75.9 | Confident | 17 Ų | 17 | 57.3 Ų | 57.3 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -73.9 | -39.7 | 171 | -62.5 | -167.6 | 12.5 | 0 | 0 | 111.2 | W64 M73 Q74 A78 V79 K80 Y130 | W64-Q76 HydrophobicContact CD2-CG 4.02Å; W64-Q76 HydrophobicContact CE3-CG 4.09Å; W64-Q76 HydrophobicContact CH2-CB 4.46Å; W64-Q76 HydrophobicContact CH2-CG 3.86Å; W64-Q76 HydrophobicContact CZ2-CG 3.76Å; W64-Q76 HydrophobicContact CZ3-CG 4.02Å; W64-Q76 PolarHBondContact O-NE2 2.93Å; M73-Q76 HydrophobicContact CB-CB 4.1Å; M73-Q76 HydrophobicContact CB-CG 3.94Å; M73-Q76 WeakPolarHBondContact O-CB 3.4Å; M73-Q76 PolarHBondContact O-N 3.16Å; M73-Q76 HydrophobicContact SD-CG 4.42Å; M73-Q76 PolarHBondContact SD-NE2 2.73Å; Q74-Q76 VanDerWaalsContact C-N 3.33Å; Q76-A78 PolarHBondContact O-N 3Å; Q76-V79 WeakPolarHBondContact O-CB 3.33Å; Q76-V79 PolarHBondContact O-N 3.31Å; Q76-V79 VanDerWaalsContact O-N 3.11Å; Q76-K80 PolarHBondContact O-N 2.93Å; Q76-K80 VanDerWaalsContact O-N 3.09Å; Q76-Y130 HydrophobicContact CB-CE2 3.8Å; Q76-Y130 HydrophobicContact CG-CE2 4.25Å; Q76-Y130 PolarHBondContact O-OH 3.34Å; Q76-Y130 VanDerWaalsContact O-OH 3.13Å |
| 77 | V | 78.5 | Confident | 76.4 | Confident | 47 Ų | 47 | 64.3 Ų | 64.3 | 29% | 0.285 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.6 | -37 | 172.1 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | M73 Q74 V79 K80 R81 | M73-V77 PolarHBondContact O-N 3.37Å; Q74-V77 WeakPolarHBondContact O-CB 3.33Å; Q74-V77 PolarHBondContact O-N 3.22Å; V77-V79 VanDerWaalsContact C-N 3.34Å; V77-V79 PolarHBondContact O-N 2.9Å; V77-K80 WeakPolarHBondContact O-CB 3.39Å; V77-K80 PolarHBondContact O-N 3.32Å; V77-R81 WeakPolarHBondContact O-CG 3.48Å; V77-R81 PolarHBondContact O-N 3.5Å |
| 78 | A | 78.3 | Confident | 76.7 | Confident | 6 Ų | 6 | 61.8 Ų | 61.8 | 5% | 0.05 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | F44 F56 Q74 F75 Q76 K80 R81 V82 | F44-A78 HydrophobicContact CZ-CB 4.12Å; F56-A78 HydrophobicContact CE2-CB 4.41Å; F56-A78 HydrophobicContact CZ-CB 4.25Å; Q74-A78 PolarHBondContact O-N 3.28Å; F75-A78 WeakPolarHBondContact O-CB 3.31Å; Q76-A78 PolarHBondContact O-N 3Å; A78-K80 PolarHBondContact O-N 3.5Å; A78-R81 PolarHBondContact O-N 2.97Å; A78-V82 WeakPolarHBondContact O-CG2 3.3Å; A78-V82 PolarHBondContact O-N 3.44Å; A78-V82 VanDerWaalsContact O-N 3.08Å |
| 79 | V | 84.9 | Confident | 77.4 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 174.2 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | V60 W64 F75 Q76 V77 R81 V82 I83 L103 F126 Y130 I134 | V60-V79 HydrophobicContact CG1-CG2 3.75Å; W64-V79 HydrophobicContact CH2-CG2 4.15Å; W64-V79 HydrophobicContact CZ3-CG2 3.71Å; F75-V79 PolarHBondContact O-N 2.91Å; Q76-V79 WeakPolarHBondContact O-CB 3.33Å; Q76-V79 PolarHBondContact O-N 3.31Å; Q76-V79 VanDerWaalsContact O-N 3.11Å; V77-V79 VanDerWaalsContact C-N 3.34Å; V77-V79 PolarHBondContact O-N 2.9Å; V79-R81 VanDerWaalsContact C-N 3.31Å; V79-R81 PolarHBondContact O-N 2.96Å; V79-V82 PolarHBondContact O-N 3.41Å; V79-V82 VanDerWaalsContact O-N 3.13Å; V79-I83 HydrophobicContact CG1-CD1 4.22Å; V79-I83 WeakPolarHBondContact O-CG1 3.26Å; V79-I83 PolarHBondContact O-N 2.88Å; V79-L103 HydrophobicContact CB-CD2 4.36Å; V79-L103 HydrophobicContact CG1-CD2 3.91Å; V79-L103 HydrophobicContact CG2-CD2 3.63Å; V79-F126 HydrophobicContact CG1-CE2 4.38Å; V79-Y130 HydrophobicContact CB-CD1 4.44Å; V79-Y130 HydrophobicContact CB-CG 4.45Å; V79-Y130 HydrophobicContact CG1-CD1 3.89Å; V79-Y130 HydrophobicContact CG1-CD2 4.33Å; V79-Y130 HydrophobicContact CG1-CE1 4.47Å; V79-Y130 HydrophobicContact CG1-CG 3.81Å; V79-I134 HydrophobicContact CG1-CD1 4.45Å |
| 80 | K | 85 | Confident | 78.1 | Confident | 112 Ų | 112 | 62.3 Ų | 62.3 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.1 | -44 | 176.6 | -169.6 | -176.9 | 176.8 | -173.2 | 0 | 112.1 | Q76 V77 A78 V82 I83 E84 Y130 | Q76-K80 PolarHBondContact O-N 2.93Å; Q76-K80 VanDerWaalsContact O-N 3.09Å; V77-K80 WeakPolarHBondContact O-CB 3.39Å; V77-K80 PolarHBondContact O-N 3.32Å; A78-K80 PolarHBondContact O-N 3.5Å; K80-V82 VanDerWaalsContact C-N 3.33Å; K80-V82 PolarHBondContact O-N 3.2Å; K80-I83 WeakPolarHBondContact O-CB 3.3Å; K80-I83 PolarHBondContact O-N 3.05Å; K80-E84 VanDerWaalsContact CE-OE1 3.24Å; K80-E84 WeakPolarHBondContact CE-OE1 3.21Å; K80-E84 WeakPolarHBondContact O-CG 3.38Å; K80-E84 PolarHBondContact O-N 3.47Å; K80-Y130 HydrophobicContact CB-CE1 4.04Å |
| 81 | R | 82 | Confident | 78.8 | Confident | 138 Ų | 138 | 63.2 Ų | 63.2 | 52% | 0.521 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 176.5 | -70.6 | 176.6 | -177.8 | 175.2 | 2.4 | 112.3 | V77 A78 V79 I83 E84 L85 | V77-R81 WeakPolarHBondContact O-CG 3.48Å; V77-R81 PolarHBondContact O-N 3.5Å; A78-R81 PolarHBondContact O-N 2.97Å; V79-R81 VanDerWaalsContact C-N 3.31Å; V79-R81 PolarHBondContact O-N 2.96Å; R81-I83 VanDerWaalsContact C-N 3.31Å; R81-I83 PolarHBondContact O-N 3.39Å; R81-E84 PolarHBondContact O-N 2.77Å; R81-L85 WeakPolarHBondContact O-CG 3.28Å; R81-L85 PolarHBondContact O-N 3.12Å |
| 82 | V | 82.9 | Confident | 79.3 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.7 | -37 | 176.5 | 178.3 | 0 | 0 | 0 | 0 | 111.4 | F44 F56 A78 V79 K80 L85 L99 L100 | F44-V82 HydrophobicContact CE1-CG2 4.11Å; F56-V82 HydrophobicContact CE1-CG2 4.43Å; F56-V82 HydrophobicContact CZ-CG2 4.24Å; A78-V82 WeakPolarHBondContact O-CG2 3.3Å; A78-V82 PolarHBondContact O-N 3.44Å; A78-V82 VanDerWaalsContact O-N 3.08Å; V79-V82 PolarHBondContact O-N 3.41Å; V79-V82 VanDerWaalsContact O-N 3.13Å; K80-V82 VanDerWaalsContact C-N 3.33Å; K80-V82 PolarHBondContact O-N 3.2Å; V82-L85 PolarHBondContact O-N 2.94Å; V82-L99 HydrophobicContact CB-CD2 4.38Å; V82-L99 HydrophobicContact CG1-CB 4.15Å; V82-L99 HydrophobicContact CG1-CD2 3.74Å; V82-L99 HydrophobicContact CG1-CG 4.02Å; V82-L99 HydrophobicContact CG2-CD2 3.6Å; V82-L99 HydrophobicContact CG2-CG 4.45Å; V82-L100 HydrophobicContact CB-CD2 4.24Å; V82-L100 HydrophobicContact CG1-CD2 3.62Å; V82-L100 HydrophobicContact CG1-CG 3.78Å |
| 83 | I | 85.4 | Confident | 80.1 | Confident | 29 Ų | 29 | 57.8 Ų | 57.8 | 15% | 0.149 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 172.8 | -66.3 | 170.9 | 0 | 0 | 0 | 110.6 | V79 K80 R81 L85 N86 L100 Y130 D133 I134 V137 | V79-I83 HydrophobicContact CG1-CD1 4.22Å; V79-I83 WeakPolarHBondContact O-CG1 3.26Å; V79-I83 PolarHBondContact O-N 2.88Å; K80-I83 WeakPolarHBondContact O-CB 3.3Å; K80-I83 PolarHBondContact O-N 3.05Å; R81-I83 VanDerWaalsContact C-N 3.31Å; R81-I83 PolarHBondContact O-N 3.39Å; I83-L85 VanDerWaalsContact C-N 3.32Å; I83-L85 PolarHBondContact O-N 3.27Å; I83-N86 VanDerWaalsContact O-CB 3.3Å; I83-N86 WeakPolarHBondContact O-CB 3.45Å; I83-N86 PolarHBondContact O-N 2.84Å; I83-L100 HydrophobicContact CG1-CD1 4.5Å; I83-L100 HydrophobicContact CG1-CD2 3.98Å; I83-Y130 HydrophobicContact CD1-CD1 3.91Å; I83-D133 HydrophobicContact CD1-CB 4.48Å; I83-I134 HydrophobicContact CD1-CG1 3.81Å; I83-I134 HydrophobicContact CG1-CG1 4.01Å; I83-V137 HydrophobicContact CG2-CG2 3.98Å |
| 84 | E | 84.9 | Confident | 80.5 | Confident | 98 Ų | 98 | 56.8 Ų | 56.8 | 46% | 0.458 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.2 | -28.7 | 178.6 | -69.1 | 167.6 | -178.1 | 0 | 0 | 113.1 | K80 R81 N86 E87 | K80-E84 VanDerWaalsContact CE-OE1 3.24Å; K80-E84 WeakPolarHBondContact CE-OE1 3.21Å; K80-E84 WeakPolarHBondContact O-CG 3.38Å; K80-E84 PolarHBondContact O-N 3.47Å; R81-E84 PolarHBondContact O-N 2.77Å; E84-N86 PolarHBondContact O-N 2.88Å; E84-N86 VanDerWaalsContact O-N 3.1Å; E84-E87 PolarHBondContact O-N 3.25Å; E84-E87 VanDerWaalsContact O-N 3.12Å |
| 85 | L | 79.9 | Confident | 81 | Confident | 65 Ų | 65 | 56.5 Ų | 56.5 | 34% | 0.34 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -60.2 | -20.5 | 176.2 | -74.8 | 175.4 | 0 | 0 | 0 | 113.6 | R81 V82 I83 E87 G88 A96 | R81-L85 WeakPolarHBondContact O-CG 3.28Å; R81-L85 PolarHBondContact O-N 3.12Å; V82-L85 PolarHBondContact O-N 2.94Å; I83-L85 VanDerWaalsContact C-N 3.32Å; I83-L85 PolarHBondContact O-N 3.27Å; L85-E87 PolarHBondContact O-N 2.84Å; L85-G88 PolarHBondContact O-N 3.36Å; L85-A96 HydrophobicContact CB-CB 4.05Å |
| 86 | N | 80.4 | Confident | 81.4 | Confident | 32 Ų | 32 | 56.4 Ų | 56.4 | 17% | 0.171 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -62.5 | -25.3 | 175.9 | -179.1 | 65.8 | 0 | 0 | 0 | 113.4 | I83 E84 G88 C93 A96 V137 L141 | I83-N86 VanDerWaalsContact O-CB 3.3Å; I83-N86 WeakPolarHBondContact O-CB 3.45Å; I83-N86 PolarHBondContact O-N 2.84Å; E84-N86 PolarHBondContact O-N 2.88Å; E84-N86 VanDerWaalsContact O-N 3.1Å; N86-G88 PolarHBondContact O-N 2.82Å; N86-C93 PolarHBondContact OD1-SG 3.35Å; N86-A96 HydrophobicContact CB-CB 4.41Å; N86-V137 HydrophobicContact CB-CG1 4.09Å; N86-L141 WeakPolarHBondContact OD1-CD1 3.38Å |
| 87 | E | 80.4 | Confident | 81.7 | Confident | 177 Ų | 177 | 55.6 Ų | 55.6 | 83% | 0.827 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -80.1 | 3.1 | 179.4 | -59.1 | -176.5 | 170 | 0 | 0 | 113.2 | E84 L85 | E84-E87 PolarHBondContact O-N 3.25Å; E84-E87 VanDerWaalsContact O-N 3.12Å; L85-E87 PolarHBondContact O-N 2.84Å |
| 88 | G | 76.8 | Confident | 82.1 | Confident | 50 Ų | 50 | 57.2 Ų | 57.2 | 52% | 0.515 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -86.1 | -149.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | L85 N86 | L85-G88 PolarHBondContact O-N 3.36Å; N86-G88 PolarHBondContact O-N 2.82Å |
| 89 | S | 79.3 | Confident | 82.5 | Confident | 63 Ų | 63 | 57.1 Ų | 57.1 | 44% | 0.441 | 29% | 0.293 | S | S | . | . | trans | -68.1 | 165.8 | 173.9 | 66 | 0 | 0 | 0 | 0 | 111.8 | E91 S92 C93 | S89-E91 VanDerWaalsContact C-N 3.25Å; S89-E91 PolarHBondContact O-N 3.48Å; S89-S92 WeakPolarHBondContact O-CB 3.31Å; S89-S92 PolarHBondContact O-N 2.78Å; S89-S92 VanDerWaalsContact O-N 3.1Å; S89-S92 PolarHBondContact OG-N 3.45Å; S89-S92 PolarHBondContact OG-OG 3.17Å; S89-S92 VanDerWaalsContact OG-OG 3.1Å; S89-C93 WeakPolarHBondContact O-CB 3.34Å; S89-C93 PolarHBondContact O-N 3.36Å | ||
| 90 | M | 77.9 | Confident | 82.9 | Confident | 87 Ų | 87 | 57.1 Ų | 57.1 | 43% | 0.429 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.3 | -38.7 | 175.5 | -174.4 | 173.8 | 175.8 | 0 | 0 | 112.4 | C93 S94 D158 Q159 L162 | M90-C93 PolarHBondContact O-N 3.23Å; M90-S94 PolarHBondContact O-N 3.29Å; M90-D158 VanDerWaalsContact CE-C 3.4Å; M90-D158 HydrophobicContact CE-CB 3.73Å; M90-D158 WeakPolarHBondContact CE-O 3.29Å; M90-Q159 HydrophobicContact CE-CB 4.33Å; M90-Q159 HydrophobicContact CE-CG 3.72Å; M90-L162 HydrophobicContact CE-CD2 4.32Å; M90-L162 HydrophobicContact CG-CD2 4.39Å |
| 91 | E | 77.9 | Confident | 83.2 | Confident | 153 Ų | 153 | 55.7 Ų | 55.7 | 72% | 0.715 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.3 | -48.3 | 173.3 | -65.3 | 177 | 172.8 | 0 | 0 | 111.2 | S89 C93 S94 I95 | S89-E91 VanDerWaalsContact C-N 3.25Å; S89-E91 PolarHBondContact O-N 3.48Å; E91-C93 VanDerWaalsContact C-N 3.3Å; E91-C93 PolarHBondContact O-N 3.2Å; E91-S94 PolarHBondContact O-N 2.96Å; E91-I95 WeakPolarHBondContact O-CD1 3.43Å; E91-I95 VanDerWaalsContact O-CG1 3.23Å; E91-I95 WeakPolarHBondContact O-CG1 3.49Å; E91-I95 PolarHBondContact O-N 3.35Å |
| 92 | S | 77.6 | Confident | 83.6 | Confident | 38 Ų | 38 | 49.9 Ų | 49.9 | 27% | 0.266 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.2 | -39 | 176.1 | -63 | 0 | 0 | 0 | 0 | 112.7 | S89 I95 A96 | S89-S92 WeakPolarHBondContact O-CB 3.31Å; S89-S92 PolarHBondContact O-N 2.78Å; S89-S92 VanDerWaalsContact O-N 3.1Å; S89-S92 PolarHBondContact OG-N 3.45Å; S89-S92 PolarHBondContact OG-OG 3.17Å; S89-S92 VanDerWaalsContact OG-OG 3.1Å; S92-I95 PolarHBondContact O-N 3.49Å; S92-A96 WeakPolarHBondContact O-CB 3.2Å; S92-A96 PolarHBondContact O-N 3.41Å |
| 93 | C | 84.4 | Confident | 84 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 7% | 0.068 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 175.5 | 179 | 0 | 0 | 0 | 0 | 111.3 | N86 S89 M90 E91 I95 A96 V97 | N86-C93 PolarHBondContact OD1-SG 3.35Å; S89-C93 WeakPolarHBondContact O-CB 3.34Å; S89-C93 PolarHBondContact O-N 3.36Å; M90-C93 PolarHBondContact O-N 3.23Å; E91-C93 VanDerWaalsContact C-N 3.3Å; E91-C93 PolarHBondContact O-N 3.2Å; C93-I95 VanDerWaalsContact C-N 3.32Å; C93-I95 PolarHBondContact O-N 3.08Å; C93-A96 PolarHBondContact O-N 3.43Å; C93-V97 VanDerWaalsContact O-CG2 3.28Å; C93-V97 WeakPolarHBondContact O-CG2 3.27Å; C93-V97 PolarHBondContact O-N 3.31Å |
| 94 | S | 83.7 | Confident | 84.3 | Confident | 28 Ų | 28 | 48.6 Ų | 48.6 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 176.5 | -165 | 0 | 0 | 0 | 0 | 112.1 | M90 E91 V97 E98 | M90-S94 PolarHBondContact O-N 3.29Å; E91-S94 PolarHBondContact O-N 2.96Å; S94-V97 PolarHBondContact O-N 3.37Å; S94-E98 WeakPolarHBondContact O-CG 3.36Å; S94-E98 PolarHBondContact O-N 3.41Å |
| 95 | I | 81.6 | Confident | 84.6 | Confident | 33 Ų | 33 | 47.4 Ų | 47.4 | 17% | 0.169 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.2 | -48.9 | 175.6 | -62.9 | 162 | 0 | 0 | 0 | 110.9 | H48 E91 S92 C93 V97 E98 L99 | H48-I95 WeakPolarHBondContact CE1-CD1 3.29Å; H48-I95 WeakPolarHBondContact CE1-CG1 2.86Å; H48-I95 WeakPolarHBondContact NE2-CD1 3.3Å; E91-I95 WeakPolarHBondContact O-CD1 3.43Å; E91-I95 VanDerWaalsContact O-CG1 3.23Å; E91-I95 WeakPolarHBondContact O-CG1 3.49Å; E91-I95 PolarHBondContact O-N 3.35Å; S92-I95 PolarHBondContact O-N 3.49Å; C93-I95 VanDerWaalsContact C-N 3.32Å; C93-I95 PolarHBondContact O-N 3.08Å; I95-V97 VanDerWaalsContact C-N 3.31Å; I95-V97 PolarHBondContact O-N 3.23Å; I95-E98 PolarHBondContact O-N 3.45Å; I95-L99 VanDerWaalsContact O-CB 3.26Å; I95-L99 WeakPolarHBondContact O-CB 3.48Å; I95-L99 PolarHBondContact O-N 2.92Å |
| 96 | A | 86.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.5 | -47.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L85 N86 S92 C93 E98 L99 L100 | L85-A96 HydrophobicContact CB-CB 4.05Å; N86-A96 HydrophobicContact CB-CB 4.41Å; S92-A96 WeakPolarHBondContact O-CB 3.2Å; S92-A96 PolarHBondContact O-N 3.41Å; C93-A96 PolarHBondContact O-N 3.43Å; A96-E98 PolarHBondContact O-N 2.88Å; A96-L99 PolarHBondContact O-N 2.84Å; A96-L100 VanDerWaalsContact O-CB 3.28Å; A96-L100 WeakPolarHBondContact O-CB 3.44Å; A96-L100 WeakPolarHBondContact O-CG 3.19Å; A96-L100 PolarHBondContact O-N 2.88Å |
| 97 | V | 88.6 | Confident | 85.2 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60 | -47.3 | 179 | 170.1 | 0 | 0 | 0 | 0 | 112 | C93 S94 I95 R101 L141 L162 G165 V166 L169 | C93-V97 VanDerWaalsContact O-CG2 3.28Å; C93-V97 WeakPolarHBondContact O-CG2 3.27Å; C93-V97 PolarHBondContact O-N 3.31Å; S94-V97 PolarHBondContact O-N 3.37Å; I95-V97 VanDerWaalsContact C-N 3.31Å; I95-V97 PolarHBondContact O-N 3.23Å; V97-R101 WeakPolarHBondContact O-CB 3.45Å; V97-R101 PolarHBondContact O-N 3.48Å; V97-L141 HydrophobicContact CG2-CD1 3.75Å; V97-L162 HydrophobicContact CG2-CD1 4.22Å; V97-G165 WeakPolarHBondContact CG1-O 3.28Å; V97-V166 HydrophobicContact CG1-CG2 3.96Å; V97-V166 HydrophobicContact CG2-CG2 3.81Å; V97-L169 HydrophobicContact CG1-CB 4.23Å; V97-L169 HydrophobicContact CG1-CD2 4.23Å |
| 98 | E | 87.1 | Confident | 85.4 | Confident | 80 Ų | 80 | 37 Ų | 37 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.9 | -39.5 | 179.1 | -75.5 | -170.4 | -164.6 | 0 | 0 | 113.4 | R53 S94 I95 A96 R101 S102 | R53-E98 IonicContact NH1-OE2 2.78Å; R53-E98 PolarHBondContact NH1-OE2 2.87Å; S94-E98 WeakPolarHBondContact O-CG 3.36Å; S94-E98 PolarHBondContact O-N 3.41Å; I95-E98 PolarHBondContact O-N 3.45Å; A96-E98 PolarHBondContact O-N 2.88Å; E98-R101 PolarHBondContact O-N 2.83Å; E98-S102 WeakPolarHBondContact O-CB 3.22Å; E98-S102 PolarHBondContact O-N 2.59Å; E98-S102 PolarHBondContact O-OG 3.34Å |
| 99 | L | 86.6 | Confident | 85.6 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69 | -45.4 | 179 | -173 | 58.1 | 0 | 0 | 0 | 110.9 | V47 R53 F56 V82 I95 A96 R101 S102 L103 | V47-L99 HydrophobicContact CG1-CD1 3.59Å; V47-L99 HydrophobicContact CG1-CD2 4.16Å; V47-L99 HydrophobicContact CG1-CG 4.47Å; R53-L99 HydrophobicContact CG-CD1 3.82Å; F56-L99 HydrophobicContact CD1-CD1 3.65Å; F56-L99 HydrophobicContact CD1-CD2 4.34Å; F56-L99 HydrophobicContact CD1-CG 4.28Å; F56-L99 HydrophobicContact CE1-CD1 4.09Å; F56-L99 HydrophobicContact CE1-CD2 4.09Å; F56-L99 HydrophobicContact CE1-CG 4.21Å; F56-L99 HydrophobicContact CG-CD1 4.49Å; V82-L99 HydrophobicContact CB-CD2 4.38Å; V82-L99 HydrophobicContact CG1-CB 4.15Å; V82-L99 HydrophobicContact CG1-CD2 3.74Å; V82-L99 HydrophobicContact CG1-CG 4.02Å; V82-L99 HydrophobicContact CG2-CD2 3.6Å; V82-L99 HydrophobicContact CG2-CG 4.45Å; I95-L99 VanDerWaalsContact O-CB 3.26Å; I95-L99 WeakPolarHBondContact O-CB 3.48Å; I95-L99 PolarHBondContact O-N 2.92Å; A96-L99 PolarHBondContact O-N 2.84Å; L99-R101 VanDerWaalsContact C-N 3.31Å; L99-R101 PolarHBondContact O-N 3.4Å; L99-S102 PolarHBondContact O-N 2.62Å; L99-L103 VanDerWaalsContact O-CB 3.31Å; L99-L103 WeakPolarHBondContact O-CB 3.36Å; L99-L103 PolarHBondContact O-N 3.2Å |
| 100 | L | 91.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.1 | -41.8 | 174 | -70.3 | 175.5 | 0 | 0 | 0 | 111.1 | V82 I83 A96 S102 L103 V104 I134 L169 | V82-L100 HydrophobicContact CB-CD2 4.24Å; V82-L100 HydrophobicContact CG1-CD2 3.62Å; V82-L100 HydrophobicContact CG1-CG 3.78Å; I83-L100 HydrophobicContact CG1-CD1 4.5Å; I83-L100 HydrophobicContact CG1-CD2 3.98Å; A96-L100 VanDerWaalsContact O-CB 3.28Å; A96-L100 WeakPolarHBondContact O-CB 3.44Å; A96-L100 WeakPolarHBondContact O-CG 3.19Å; A96-L100 PolarHBondContact O-N 2.88Å; L100-S102 PolarHBondContact O-N 3.01Å; L100-L103 WeakPolarHBondContact O-CB 3.48Å; L100-L103 PolarHBondContact O-N 3.02Å; L100-V104 VanDerWaalsContact O-CG2 3.27Å; L100-V104 WeakPolarHBondContact O-CG2 3.41Å; L100-V104 PolarHBondContact O-N 3.22Å; L100-I134 HydrophobicContact CB-CG2 4.09Å; L100-I134 HydrophobicContact CD1-CG2 4.28Å; L100-I134 HydrophobicContact CD2-CD1 3.99Å; L100-I134 HydrophobicContact CD2-CG1 3.96Å; L100-I134 HydrophobicContact CD2-CG2 4.49Å; L100-L169 HydrophobicContact CB-CD1 3.84Å; L100-L169 HydrophobicContact CB-CD2 4.17Å; L100-L169 HydrophobicContact CD1-CD2 4.41Å |
| 101 | R | 92.9 | Very high | 84.6 | Confident | 82 Ų | 82 | 38.6 Ų | 38.6 | 31% | 0.309 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.4 | -47.8 | 178.3 | -174.3 | -175.1 | 78.5 | 123 | 0.5 | 110.8 | V97 E98 L99 L103 V104 L105 L169 A172 | V97-R101 WeakPolarHBondContact O-CB 3.45Å; V97-R101 PolarHBondContact O-N 3.48Å; E98-R101 PolarHBondContact O-N 2.83Å; L99-R101 VanDerWaalsContact C-N 3.31Å; L99-R101 PolarHBondContact O-N 3.4Å; R101-L103 VanDerWaalsContact C-N 3.27Å; R101-L103 PolarHBondContact O-N 3.05Å; R101-V104 PolarHBondContact O-N 2.94Å; R101-L105 HydrophobicContact CG-CD1 4.27Å; R101-L105 WeakPolarHBondContact O-CG 3.46Å; R101-L105 PolarHBondContact O-N 3.28Å; R101-L169 HydrophobicContact CB-CB 4.27Å; R101-L169 HydrophobicContact CB-CD1 4.03Å; R101-A172 HydrophobicContact CG-CB 4.2Å |
| 102 | S | 89.9 | Confident | 83.7 | Confident | 17 Ų | 17 | 38.6 Ų | 38.6 | 12% | 0.119 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.3 | -37.7 | 179.2 | -54.8 | 0 | 0 | 0 | 0 | 111.3 | R53 C57 E98 L99 L100 L105 E106 | R53-S102 VanDerWaalsContact CD-OG 3.26Å; R53-S102 WeakPolarHBondContact CD-OG 3.48Å; R53-S102 PolarHBondContact NE-OG 3.24Å; R53-S102 VanDerWaalsContact NE-OG 3.07Å; C57-S102 VanDerWaalsContact SG-C 3.58Å; E98-S102 WeakPolarHBondContact O-CB 3.22Å; E98-S102 PolarHBondContact O-N 2.59Å; E98-S102 PolarHBondContact O-OG 3.34Å; L99-S102 PolarHBondContact O-N 2.62Å; L100-S102 PolarHBondContact O-N 3.01Å; S102-L105 PolarHBondContact O-N 3.44Å; S102-E106 VanDerWaalsContact O-CB 3.31Å; S102-E106 WeakPolarHBondContact O-CB 3.48Å; S102-E106 PolarHBondContact O-N 3.1Å |
| 103 | L | 90.7 | Very high | 82.5 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.8 | -46.4 | 175.6 | -176.9 | 68 | 0 | 0 | 0 | 111.9 | C57 V60 V79 L99 L100 R101 L105 E106 M107 F126 | C57-L103 HydrophobicContact CB-CD1 4.33Å; C57-L103 PolarHBondContact SG-N 3.44Å; C57-L103 VanDerWaalsContact SG-N 3.38Å; V60-L103 HydrophobicContact CB-CD1 4.05Å; V60-L103 HydrophobicContact CG1-CD1 3.91Å; V79-L103 HydrophobicContact CB-CD2 4.36Å; V79-L103 HydrophobicContact CG1-CD2 3.91Å; V79-L103 HydrophobicContact CG2-CD2 3.63Å; L99-L103 VanDerWaalsContact O-CB 3.31Å; L99-L103 WeakPolarHBondContact O-CB 3.36Å; L99-L103 PolarHBondContact O-N 3.2Å; L100-L103 WeakPolarHBondContact O-CB 3.48Å; L100-L103 PolarHBondContact O-N 3.02Å; R101-L103 VanDerWaalsContact C-N 3.27Å; R101-L103 PolarHBondContact O-N 3.05Å; L103-L105 VanDerWaalsContact C-N 3.33Å; L103-L105 PolarHBondContact O-N 3.39Å; L103-E106 PolarHBondContact O-N 3.17Å; L103-M107 HydrophobicContact CD1-CE 3.96Å; L103-M107 HydrophobicContact CD1-CG 4.23Å; L103-M107 HydrophobicContact CG-CG 4.33Å; L103-M107 VanDerWaalsContact O-CB 3.31Å; L103-M107 WeakPolarHBondContact O-CB 3.29Å; L103-M107 WeakPolarHBondContact O-CG 3.37Å; L103-M107 PolarHBondContact O-N 2.75Å; L103-F126 HydrophobicContact CD2-CE2 3.92Å; L103-F126 HydrophobicContact CD2-CZ 4.34Å; L103-F126 HydrophobicContact CG-CE2 4.19Å; L103-F126 HydrophobicContact CG-CZ 4.28Å |
| 104 | V | 92.4 | Very high | 81 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.9 | -44.3 | 177.6 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | L100 R101 M107 G108 F126 L131 I134 L169 A172 F176 | L100-V104 VanDerWaalsContact O-CG2 3.27Å; L100-V104 WeakPolarHBondContact O-CG2 3.41Å; L100-V104 PolarHBondContact O-N 3.22Å; R101-V104 PolarHBondContact O-N 2.94Å; V104-M107 PolarHBondContact O-N 3.42Å; V104-G108 PolarHBondContact O-N 2.99Å; V104-F126 HydrophobicContact CG2-CE1 4.14Å; V104-F126 HydrophobicContact CG2-CZ 3.91Å; V104-L131 HydrophobicContact CG1-CD1 3.9Å; V104-L131 HydrophobicContact CG2-CD1 3.84Å; V104-I134 HydrophobicContact CG2-CD1 4.23Å; V104-I134 HydrophobicContact CG2-CG2 4.08Å; V104-L169 HydrophobicContact CG2-CD1 4.43Å; V104-A172 HydrophobicContact CB-CB 4.33Å; V104-A172 HydrophobicContact CG1-CB 3.9Å; V104-A172 WeakPolarHBondContact CG1-O 3.46Å; V104-F176 HydrophobicContact CG1-CD2 4.09Å |
| 105 | L | 90.9 | Very high | 79.7 | Confident | 73 Ų | 73 | 43.3 Ų | 43.3 | 38% | 0.382 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.3 | -45.8 | 177 | -68.8 | 173.7 | 0 | 0 | 0 | 111.8 | R101 S102 L103 G108 Q109 A172 | R101-L105 HydrophobicContact CG-CD1 4.27Å; R101-L105 WeakPolarHBondContact O-CG 3.46Å; R101-L105 PolarHBondContact O-N 3.28Å; S102-L105 PolarHBondContact O-N 3.44Å; L103-L105 VanDerWaalsContact C-N 3.33Å; L103-L105 PolarHBondContact O-N 3.39Å; L105-G108 PolarHBondContact O-N 3.27Å; L105-Q109 VanDerWaalsContact O-CG 3.3Å; L105-Q109 WeakPolarHBondContact O-CG 3.49Å; L105-Q109 PolarHBondContact O-N 3.06Å; L105-Q109 VanDerWaalsContact O-N 3.08Å; L105-A172 HydrophobicContact CD2-CB 4.08Å; L105-A172 HydrophobicContact CG-CB 4.26Å |
| 106 | E | 86.7 | Confident | 78.8 | Confident | 29 Ų | 29 | 44.3 Ų | 44.3 | 14% | 0.136 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.7 | -44.3 | 178.1 | -178.2 | 56 | -135.4 | 0 | 0 | 111.4 | C57 K61 S102 L103 G108 Q109 | C57-E106 HydrophobicContact CB-CB 3.76Å; C57-E106 HydrophobicContact CB-CG 3.85Å; K61-E106 HydrophobicContact CB-CG 4.47Å; K61-E106 HydrophobicContact CD-CG 3.93Å; K61-E106 WeakPolarHBondContact CD-O 3.46Å; K61-E106 WeakPolarHBondContact CD-OE1 3.13Å; K61-E106 WeakPolarHBondContact CE-O 3.33Å; K61-E106 PolarHBondContact NZ-O 3.29Å; K61-E106 IonicContact NZ-OE1 2.71Å; K61-E106 PolarHBondContact NZ-OE1 2.94Å; S102-E106 VanDerWaalsContact O-CB 3.31Å; S102-E106 WeakPolarHBondContact O-CB 3.48Å; S102-E106 PolarHBondContact O-N 3.1Å; L103-E106 PolarHBondContact O-N 3.17Å; E106-G108 VanDerWaalsContact C-N 3.27Å; E106-G108 PolarHBondContact O-N 3.36Å; E106-Q109 PolarHBondContact O-N 3.35Å |
| 107 | M | 86.2 | Confident | 77.7 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.4 | -31.8 | 177.4 | -72.4 | -65.8 | -169.4 | 0 | 0 | 112.8 | V60 K61 W64 L103 V104 V122 F126 F176 | V60-M107 HydrophobicContact CB-CE 4.44Å; V60-M107 HydrophobicContact CG1-CE 3.65Å; K61-M107 HydrophobicContact CB-CE 4.21Å; K61-M107 HydrophobicContact CB-SD 3.85Å; K61-M107 HydrophobicContact CG-SD 3.99Å; W64-M107 HydrophobicContact CD2-CE 4.17Å; W64-M107 HydrophobicContact CE3-CE 3.41Å; W64-M107 VanDerWaalsContact CE3-CE 3.41Å; W64-M107 HydrophobicContact CH2-CE 4.41Å; W64-M107 HydrophobicContact CZ3-CE 3.56Å; L103-M107 HydrophobicContact CD1-CE 3.96Å; L103-M107 HydrophobicContact CD1-CG 4.23Å; L103-M107 HydrophobicContact CG-CG 4.33Å; L103-M107 VanDerWaalsContact O-CB 3.31Å; L103-M107 WeakPolarHBondContact O-CB 3.29Å; L103-M107 WeakPolarHBondContact O-CG 3.37Å; L103-M107 PolarHBondContact O-N 2.75Å; V104-M107 PolarHBondContact O-N 3.42Å; M107-V122 HydrophobicContact CE-CG1 4.31Å; M107-V122 HydrophobicContact SD-CG1 3.67Å; M107-F126 HydrophobicContact CB-CD1 3.58Å; M107-F126 HydrophobicContact CB-CE1 3.74Å; M107-F126 HydrophobicContact CB-CG 4.14Å; M107-F126 HydrophobicContact CB-CZ 4.44Å; M107-F126 HydrophobicContact CE-CD2 4.17Å; M107-F126 HydrophobicContact CE-CG 4.43Å; M107-F126 HydrophobicContact CG-CB 4.44Å; M107-F126 HydrophobicContact CG-CD1 3.73Å; M107-F126 HydrophobicContact CG-CD2 4.07Å; M107-F126 HydrophobicContact CG-CE1 3.87Å; M107-F126 HydrophobicContact CG-CE2 4.23Å; M107-F126 HydrophobicContact CG-CG 3.82Å; M107-F126 HydrophobicContact CG-CZ 4.12Å; M107-F126 HydrophobicContact SD-CB 4.33Å; M107-F126 HydrophobicContact SD-CG 4.28Å; M107-F176 HydrophobicContact CB-CE2 4.08Å |
| 108 | G | 83.7 | Confident | 76.6 | Confident | 25 Ų | 25 | 47.5 Ų | 47.5 | 26% | 0.258 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -82.7 | -19.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | V104 L105 E106 | V104-G108 PolarHBondContact O-N 2.99Å; L105-G108 PolarHBondContact O-N 3.27Å; E106-G108 VanDerWaalsContact C-N 3.27Å; E106-G108 PolarHBondContact O-N 3.36Å |
| 109 | Q | 81.5 | Confident | 75.7 | Confident | 114 Ų | 114 | 44.6 Ų | 44.6 | 53% | 0.533 | 24% | 0.235 | S | C | . | . | trans | -78.1 | 125.7 | 179.3 | -77.6 | 175.5 | 12.9 | 0 | 0 | 111.5 | K61 L105 E106 | K61-Q109 PolarHBondContact NZ-O 3.12Å; L105-Q109 VanDerWaalsContact O-CG 3.3Å; L105-Q109 WeakPolarHBondContact O-CG 3.49Å; L105-Q109 PolarHBondContact O-N 3.06Å; L105-Q109 VanDerWaalsContact O-N 3.08Å; E106-Q109 PolarHBondContact O-N 3.35Å | ||
| 110 | L | 71.1 | Confident | 75.2 | Confident | 61 Ų | 61 | 45.7 Ų | 45.7 | 32% | 0.319 | 24% | 0.241 | S | C | . | . | trans | -94.3 | 117.8 | 171.4 | -64.6 | 173.5 | 0 | 0 | 0 | 110.1 | Q119 L120 | L110-Q119 HydrophobicContact CD2-CB 3.93Å; L110-L120 HydrophobicContact CD1-CD2 4.12Å; L110-L120 HydrophobicContact CD2-CD2 4.02Å; L110-L120 HydrophobicContact CD2-CG 4.34Å | ||
| 111 | D | 66.2 | Low | 74.4 | Confident | 57 Ų | 57 | 48.9 Ų | 48.9 | 31% | 0.305 | 26% | 0.255 | S | S | . | . | trans | -85.1 | 113.6 | 170.6 | -171.5 | -14 | 0 | 0 | 0 | 109.5 | S113 C114 Q119 | D111-S113 PolarHBondContact O-N 3.42Å; D111-S113 WeakPolarHBondContact OD1-CB 3.46Å; D111-S113 PolarHBondContact OD1-N 3.21Å; D111-S113 PolarHBondContact OD1-OG 3.47Å; D111-S113 PolarHBondContact OD2-OG 2.87Å; D111-S113 VanDerWaalsContact OD2-OG 3.09Å; D111-C114 PolarHBondContact O-N 3.47Å; D111-Q119 PolarHBondContact O-NE2 2.96Å | ||
| 112 | Q | 57.4 | Low | 73.8 | Confident | 154 Ų | 154 | 45.1 Ų | 45.1 | 72% | 0.72 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -15.5 | -179.7 | -65.2 | -173.1 | 10.6 | 0 | 0 | 113.4 | C114 | Q112-C114 VanDerWaalsContact C-N 3.27Å; Q112-C114 PolarHBondContact O-N 2.97Å |
| 113 | S | 53.4 | Low | 73.6 | Confident | 95 Ų | 95 | 45 Ų | 45 | 66% | 0.664 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -10.5 | 178.3 | 69.9 | 0 | 0 | 0 | 0 | 113.7 | D111 | D111-S113 PolarHBondContact O-N 3.42Å; D111-S113 WeakPolarHBondContact OD1-CB 3.46Å; D111-S113 PolarHBondContact OD1-N 3.21Å; D111-S113 PolarHBondContact OD1-OG 3.47Å; D111-S113 PolarHBondContact OD2-OG 2.87Å; D111-S113 VanDerWaalsContact OD2-OG 3.09Å |
| 114 | C | 52.4 | Low | 73.2 | Confident | 20 Ų | 20 | 46.3 Ų | 46.3 | 14% | 0.135 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -121.5 | 166.3 | -172 | -65.8 | 0 | 0 | 0 | 0 | 112 | L19 D111 Q112 V116 | L19-C114 HydrophobicContact CD2-CB 4.32Å; D111-C114 PolarHBondContact O-N 3.47Å; Q112-C114 VanDerWaalsContact C-N 3.27Å; Q112-C114 PolarHBondContact O-N 2.97Å; C114-V116 PolarHBondContact O-N 3.06Å |
| 115 | L | 57.4 | Low | 72.8 | Confident | 59 Ų | 59 | 47.3 Ų | 47.3 | 31% | 0.309 | 26% | 0.259 | S | S | . | . | trans | -55.9 | 102.2 | 177.5 | -65.8 | 166.6 | 0 | 0 | 0 | 110.9 | G117 R118 Q119 D979 | L115-G117 VanDerWaalsContact C-N 3.31Å; L115-G117 PolarHBondContact O-N 2.71Å; L115-R118 HydrophobicContact CB-CB 4.35Å; L115-R118 PolarHBondContact O-N 2.82Å; L115-Q119 PolarHBondContact O-N 3.3Å; L115-D979 WeakPolarHBondContact CA-OD1 3.35Å; L115-D979 WeakPolarHBondContact CB-OD1 3.43Å; L115-D979 WeakPolarHBondContact CD2-OD2 3.43Å | ||
| 116 | V | 61.8 | Low | 72.8 | Confident | 54 Ų | 54 | 43.9 Ų | 43.9 | 33% | 0.327 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.4 | -36.9 | -174.7 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | C114 R118 Q119 L120 D979 | C114-V116 PolarHBondContact O-N 3.06Å; V116-R118 PolarHBondContact O-N 3.07Å; V116-Q119 PolarHBondContact O-N 3.44Å; V116-L120 HydrophobicContact CG1-CD1 3.84Å; V116-L120 HydrophobicContact CG1-CG 4.07Å; V116-L120 WeakPolarHBondContact O-CG 3.31Å; V116-L120 PolarHBondContact O-N 3.14Å; V116-D979 PolarHBondContact N-OD1 3.1Å |
| 117 | G | 63.1 | Low | 72.8 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 5% | 0.052 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.3 | -37.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L115 L120 K121 F978 D979 | L115-G117 VanDerWaalsContact C-N 3.31Å; L115-G117 PolarHBondContact O-N 2.71Å; G117-L120 PolarHBondContact O-N 3.2Å; G117-K121 WeakPolarHBondContact O-CG 3.46Å; G117-K121 PolarHBondContact O-N 3.35Å; G117-F978 WeakPolarHBondContact CA-O 3.45Å; G117-D979 PolarHBondContact N-OD1 2.72Å |
| 118 | R | 66 | Low | 72.8 | Confident | 64 Ų | 64 | 48.8 Ų | 48.8 | 24% | 0.242 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.1 | -44.4 | 173.2 | -169.2 | 179.7 | -174.2 | -153 | 0.9 | 111.1 | V62 L115 V116 L120 K121 V122 | V62-R118 PolarHBondContact O-NH2 3.47Å; L115-R118 HydrophobicContact CB-CB 4.35Å; L115-R118 PolarHBondContact O-N 2.82Å; V116-R118 PolarHBondContact O-N 3.07Å; R118-L120 PolarHBondContact O-N 3.45Å; R118-K121 PolarHBondContact O-N 2.96Å; R118-V122 WeakPolarHBondContact O-CG2 3.44Å; R118-V122 PolarHBondContact O-N 3.45Å |
| 119 | Q | 67.8 | Low | 73 | Confident | 19 Ų | 19 | 51.2 Ų | 51.2 | 9% | 0.089 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 177.7 | -69.1 | 179.9 | 65.8 | 0 | 0 | 111.8 | L110 D111 L115 V116 K121 V122 A123 | L110-Q119 HydrophobicContact CD2-CB 3.93Å; D111-Q119 PolarHBondContact O-NE2 2.96Å; L115-Q119 PolarHBondContact O-N 3.3Å; V116-Q119 PolarHBondContact O-N 3.44Å; Q119-K121 VanDerWaalsContact C-N 3.34Å; Q119-K121 PolarHBondContact O-N 3.46Å; Q119-V122 PolarHBondContact O-N 2.94Å; Q119-A123 WeakPolarHBondContact O-CB 3.49Å; Q119-A123 PolarHBondContact O-N 3.19Å |
| 120 | L | 76.4 | Confident | 73.5 | Confident | 26 Ų | 26 | 47.1 Ų | 47.1 | 14% | 0.136 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.9 | -39.8 | 175.7 | -72 | 173.1 | 0 | 0 | 0 | 112.2 | L110 V116 G117 R118 A123 A124 | L110-L120 HydrophobicContact CD1-CD2 4.12Å; L110-L120 HydrophobicContact CD2-CD2 4.02Å; L110-L120 HydrophobicContact CD2-CG 4.34Å; V116-L120 HydrophobicContact CG1-CD1 3.84Å; V116-L120 HydrophobicContact CG1-CG 4.07Å; V116-L120 WeakPolarHBondContact O-CG 3.31Å; V116-L120 PolarHBondContact O-N 3.14Å; G117-L120 PolarHBondContact O-N 3.2Å; R118-L120 PolarHBondContact O-N 3.45Å; L120-A123 PolarHBondContact O-N 3.08Å; L120-A124 VanDerWaalsContact O-CB 3.24Å; L120-A124 WeakPolarHBondContact O-CB 3.4Å; L120-A124 PolarHBondContact O-N 2.83Å |
| 121 | K | 75.4 | Confident | 74.5 | Confident | 67 Ų | 67 | 44.2 Ų | 44.2 | 29% | 0.291 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.9 | -44 | 173.7 | -74.3 | -177.1 | -175.6 | -173.5 | 0 | 112.3 | F65 G117 R118 Q119 A124 S125 A1054 N1055 | F65-K121 HydrophobicContact CE2-CB 3.97Å; F65-K121 HydrophobicContact CZ-CB 4.19Å; G117-K121 WeakPolarHBondContact O-CG 3.46Å; G117-K121 PolarHBondContact O-N 3.35Å; R118-K121 PolarHBondContact O-N 2.96Å; Q119-K121 VanDerWaalsContact C-N 3.34Å; Q119-K121 PolarHBondContact O-N 3.46Å; K121-A124 PolarHBondContact O-N 2.94Å; K121-S125 WeakPolarHBondContact O-CB 3.31Å; K121-S125 PolarHBondContact O-N 2.81Å; K121-A1054 PolarHBondContact NZ-O 3.41Å; K121-N1055 WeakPolarHBondContact CE-OD1 3.32Å; K121-N1055 PolarHBondContact NZ-OD1 3.36Å |
| 122 | V | 80.1 | Confident | 75.8 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.024 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.2 | -49.6 | 175.9 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | K61 W64 F65 M107 R118 Q119 A124 S125 F126 | K61-V122 HydrophobicContact CG-CG1 4.22Å; W64-V122 HydrophobicContact CB-CB 4.24Å; W64-V122 HydrophobicContact CB-CG1 3.63Å; W64-V122 HydrophobicContact CB-CG2 3.69Å; W64-V122 HydrophobicContact CD2-CG1 4.18Å; W64-V122 HydrophobicContact CG-CB 4.28Å; W64-V122 HydrophobicContact CG-CG1 3.63Å; W64-V122 HydrophobicContact CG-CG2 4.11Å; F65-V122 HydrophobicContact CD2-CG2 3.85Å; F65-V122 HydrophobicContact CE2-CB 4.41Å; F65-V122 HydrophobicContact CE2-CG2 3.55Å; M107-V122 HydrophobicContact CE-CG1 4.31Å; M107-V122 HydrophobicContact SD-CG1 3.67Å; R118-V122 WeakPolarHBondContact O-CG2 3.44Å; R118-V122 PolarHBondContact O-N 3.45Å; Q119-V122 PolarHBondContact O-N 2.94Å; V122-A124 VanDerWaalsContact C-N 3.35Å; V122-A124 PolarHBondContact O-N 3.44Å; V122-S125 PolarHBondContact O-N 3.36Å; V122-F126 WeakPolarHBondContact O-CB 3.43Å; V122-F126 PolarHBondContact O-N 3.4Å |
| 123 | A | 84.5 | Confident | 77.5 | Confident | 14 Ų | 14 | 38.5 Ų | 38.5 | 12% | 0.116 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.1 | -42.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q119 L120 F126 R127 F176 | Q119-A123 WeakPolarHBondContact O-CB 3.49Å; Q119-A123 PolarHBondContact O-N 3.19Å; L120-A123 PolarHBondContact O-N 3.08Å; A123-F126 PolarHBondContact O-N 3.27Å; A123-R127 WeakPolarHBondContact O-CB 3.25Å; A123-R127 PolarHBondContact O-N 3.02Å; A123-F176 HydrophobicContact CB-CZ 4.07Å |
| 124 | A | 82.8 | Confident | 79.5 | Confident | 29 Ų | 29 | 34 Ų | 34 | 24% | 0.24 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.8 | -45.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L120 K121 V122 R127 D128 | L120-A124 VanDerWaalsContact O-CB 3.24Å; L120-A124 WeakPolarHBondContact O-CB 3.4Å; L120-A124 PolarHBondContact O-N 2.83Å; K121-A124 PolarHBondContact O-N 2.94Å; V122-A124 VanDerWaalsContact C-N 3.35Å; V122-A124 PolarHBondContact O-N 3.44Å; A124-R127 WeakPolarHBondContact O-CB 3.35Å; A124-R127 PolarHBondContact O-N 2.88Å; A124-D128 WeakPolarHBondContact O-CB 3.36Å; A124-D128 PolarHBondContact O-N 3.22Å |
| 125 | S | 85 | Confident | 81.5 | Confident | 22 Ų | 22 | 33 Ų | 33 | 15% | 0.154 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.3 | -43 | 176.9 | 176.6 | 0 | 0 | 0 | 0 | 111.9 | W64 K121 V122 D128 I129 | W64-S125 VanDerWaalsContact NE1-CB 3.3Å; W64-S125 PolarHBondContact NE1-OG 3.46Å; K121-S125 WeakPolarHBondContact O-CB 3.31Å; K121-S125 PolarHBondContact O-N 2.81Å; V122-S125 PolarHBondContact O-N 3.36Å; S125-D128 PolarHBondContact O-N 2.89Å; S125-I129 WeakPolarHBondContact O-CB 3.49Å; S125-I129 VanDerWaalsContact O-CG1 3.24Å; S125-I129 WeakPolarHBondContact O-CG1 3.38Å; S125-I129 PolarHBondContact O-N 3.18Å; S125-I129 WeakPolarHBondContact OG-CD1 3.26Å |
| 126 | F | 89.7 | Confident | 83.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.5 | -44.1 | 174.1 | 174.5 | -106.2 | 0 | 0 | 0 | 112.4 | W64 V79 L103 V104 M107 V122 A123 D128 Y130 L131 I134 F176 | W64-F126 HydrophobicContact CH2-CB 4.22Å; W64-F126 AromaticContact CH2-CD2 3.69Å; W64-F126 HydrophobicContact CH2-CD2 3.69Å; W64-F126 HydrophobicContact CH2-CG 4.46Å; W64-F126 HydrophobicContact CZ2-CB 3.92Å; W64-F126 HydrophobicContact CZ2-CD2 4.23Å; W64-F126 HydrophobicContact CZ3-CD2 4.2Å; V79-F126 HydrophobicContact CG1-CE2 4.38Å; L103-F126 HydrophobicContact CD2-CE2 3.92Å; L103-F126 HydrophobicContact CD2-CZ 4.34Å; L103-F126 HydrophobicContact CG-CE2 4.19Å; L103-F126 HydrophobicContact CG-CZ 4.28Å; V104-F126 HydrophobicContact CG2-CE1 4.14Å; V104-F126 HydrophobicContact CG2-CZ 3.91Å; M107-F126 HydrophobicContact CB-CD1 3.58Å; M107-F126 HydrophobicContact CB-CE1 3.74Å; M107-F126 HydrophobicContact CB-CG 4.14Å; M107-F126 HydrophobicContact CB-CZ 4.44Å; M107-F126 HydrophobicContact CE-CD2 4.17Å; M107-F126 HydrophobicContact CE-CG 4.43Å; M107-F126 HydrophobicContact CG-CB 4.44Å; M107-F126 HydrophobicContact CG-CD1 3.73Å; M107-F126 HydrophobicContact CG-CD2 4.07Å; M107-F126 HydrophobicContact CG-CE1 3.87Å; M107-F126 HydrophobicContact CG-CE2 4.23Å; M107-F126 HydrophobicContact CG-CG 3.82Å; M107-F126 HydrophobicContact CG-CZ 4.12Å; M107-F126 HydrophobicContact SD-CB 4.33Å; M107-F126 HydrophobicContact SD-CG 4.28Å; V122-F126 WeakPolarHBondContact O-CB 3.43Å; V122-F126 PolarHBondContact O-N 3.4Å; A123-F126 PolarHBondContact O-N 3.27Å; F126-D128 VanDerWaalsContact C-N 3.33Å; F126-D128 PolarHBondContact O-N 3.29Å; F126-Y130 PolarHBondContact O-N 3.23Å; F126-L131 HydrophobicContact CE1-CB 4.32Å; F126-L131 HydrophobicContact CE1-CD1 3.83Å; F126-L131 HydrophobicContact CZ-CD1 4.39Å; F126-L131 PolarHBondContact O-N 2.88Å; F126-I134 HydrophobicContact CE2-CD1 3.77Å; F126-I134 HydrophobicContact CZ-CD1 3.57Å; F126-F176 HydrophobicContact CD1-CE2 4.02Å; F126-F176 HydrophobicContact CD1-CZ 4.15Å; F126-F176 HydrophobicContact CE1-CE2 4.17Å |
| 127 | R | 87.5 | Confident | 84.7 | Confident | 45 Ų | 45 | 33.4 Ų | 33.4 | 17% | 0.17 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -56.8 | -45.3 | 175.4 | 178.9 | -162.5 | 69.8 | -154.3 | -10.5 | 112 | A123 A124 L131 F176 F178 P196 | A123-R127 WeakPolarHBondContact O-CB 3.25Å; A123-R127 PolarHBondContact O-N 3.02Å; A124-R127 WeakPolarHBondContact O-CB 3.35Å; A124-R127 PolarHBondContact O-N 2.88Å; R127-L131 HydrophobicContact CB-CD2 4.31Å; R127-L131 HydrophobicContact CG-CD2 4.11Å; R127-F176 HydrophobicContact CB-CE1 3.88Å; R127-F176 HydrophobicContact CB-CZ 4.49Å; R127-F176 HydrophobicContact CG-CD1 4.48Å; R127-F176 HydrophobicContact CG-CE1 4.23Å; R127-F178 HydrophobicContact CG-CD1 3.84Å; R127-F178 HydrophobicContact CG-CE1 4.35Å; R127-F178 PolarHBondContact NH1-O 3.12Å; R127-P196 HydrophobicContact CG-CG 4.27Å |
| 128 | D | 85.7 | Confident | 86.2 | Confident | 91 Ų | 91 | 33.2 Ų | 33.2 | 49% | 0.487 | 17% | 0.166 | S | C | . | . | I | π-helix | trans | -81.9 | -29.2 | -172.4 | -65.1 | -18.9 | 0 | 0 | 0 | 112.7 | A124 S125 F126 | A124-D128 WeakPolarHBondContact O-CB 3.36Å; A124-D128 PolarHBondContact O-N 3.22Å; S125-D128 PolarHBondContact O-N 2.89Å; F126-D128 VanDerWaalsContact C-N 3.33Å; F126-D128 PolarHBondContact O-N 3.29Å |
| 129 | I | 88.5 | Confident | 87.5 | Confident | 75 Ų | 75 | 30.7 Ų | 30.7 | 39% | 0.385 | 16% | 0.158 | S | C | . | . | I | π-helix | trans | -96.6 | -46.1 | -175.6 | -56.6 | 170.9 | 0 | 0 | 0 | 112.8 | S125 | S125-I129 WeakPolarHBondContact O-CB 3.49Å; S125-I129 VanDerWaalsContact O-CG1 3.24Å; S125-I129 WeakPolarHBondContact O-CG1 3.38Å; S125-I129 PolarHBondContact O-N 3.18Å; S125-I129 WeakPolarHBondContact OG-CD1 3.26Å |
| 130 | Y | 91.5 | Very high | 88.6 | Confident | 29 Ų | 29 | 31.8 Ų | 31.8 | 11% | 0.114 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -120.5 | -30.1 | -166.7 | -67.7 | -75.3 | 0 | 0 | 0 | 115 | W64 Q76 V79 K80 I83 F126 L132 D133 I134 | W64-Y130 AromaticContact CH2-CD2 3.48Å; W64-Y130 HydrophobicContact CH2-CD2 3.48Å; W64-Y130 VanDerWaalsContact CH2-CD2 3.48Å; W64-Y130 AromaticContact CH2-CE2 3.73Å; W64-Y130 HydrophobicContact CH2-CE2 3.73Å; W64-Y130 AromaticContact CZ2-CD2 3.81Å; W64-Y130 HydrophobicContact CZ2-CD2 3.81Å; W64-Y130 AromaticContact CZ2-CE2 4Å; W64-Y130 HydrophobicContact CZ2-CE2 4Å; Q76-Y130 HydrophobicContact CB-CE2 3.8Å; Q76-Y130 HydrophobicContact CG-CE2 4.25Å; Q76-Y130 PolarHBondContact O-OH 3.34Å; Q76-Y130 VanDerWaalsContact O-OH 3.13Å; V79-Y130 HydrophobicContact CB-CD1 4.44Å; V79-Y130 HydrophobicContact CB-CG 4.45Å; V79-Y130 HydrophobicContact CG1-CD1 3.89Å; V79-Y130 HydrophobicContact CG1-CD2 4.33Å; V79-Y130 HydrophobicContact CG1-CE1 4.47Å; V79-Y130 HydrophobicContact CG1-CG 3.81Å; K80-Y130 HydrophobicContact CB-CE1 4.04Å; I83-Y130 HydrophobicContact CD1-CD1 3.91Å; F126-Y130 PolarHBondContact O-N 3.23Å; Y130-L132 VanDerWaalsContact C-N 3.28Å; Y130-L132 PolarHBondContact O-N 2.77Å; Y130-D133 PolarHBondContact O-N 3.24Å; Y130-I134 WeakPolarHBondContact O-CG1 3.38Å; Y130-I134 PolarHBondContact O-N 3.45Å |
| 131 | L | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -59.6 | -37.4 | -171.9 | -174.8 | 66.8 | 0 | 0 | 0 | 113.2 | V104 F126 R127 I134 Y135 C173 F176 F178 W199 | V104-L131 HydrophobicContact CG1-CD1 3.9Å; V104-L131 HydrophobicContact CG2-CD1 3.84Å; F126-L131 HydrophobicContact CE1-CB 4.32Å; F126-L131 HydrophobicContact CE1-CD1 3.83Å; F126-L131 HydrophobicContact CZ-CD1 4.39Å; F126-L131 PolarHBondContact O-N 2.88Å; R127-L131 HydrophobicContact CB-CD2 4.31Å; R127-L131 HydrophobicContact CG-CD2 4.11Å; L131-I134 PolarHBondContact O-N 2.95Å; L131-Y135 WeakPolarHBondContact O-CB 3.32Å; L131-Y135 PolarHBondContact O-N 2.92Å; L131-C173 HydrophobicContact CD1-CB 4.26Å; L131-F176 HydrophobicContact CD1-CD2 4.4Å; L131-F176 HydrophobicContact CD2-CB 3.85Å; L131-F176 HydrophobicContact CD2-CD1 3.57Å; L131-F176 HydrophobicContact CD2-CD2 4.14Å; L131-F176 HydrophobicContact CD2-CE1 4.13Å; L131-F176 HydrophobicContact CD2-CG 3.57Å; L131-F178 HydrophobicContact CD2-CD1 4.43Å; L131-F178 HydrophobicContact CD2-CE1 3.73Å; L131-F178 HydrophobicContact CD2-CZ 4.27Å; L131-W199 HydrophobicContact CB-CZ2 4.03Å; L131-W199 HydrophobicContact CD2-CH2 4.13Å; L131-W199 HydrophobicContact CD2-CZ2 3.87Å; L131-W199 HydrophobicContact CG-CH2 3.82Å; L131-W199 HydrophobicContact CG-CZ2 3.66Å |
| 132 | L | 93.4 | Very high | 90.1 | Very high | 25 Ų | 25 | 28.9 Ų | 28.9 | 13% | 0.131 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.9 | -42.3 | 175.6 | 177.1 | 55.2 | 0 | 0 | 0 | 111.9 | Y130 Y135 K136 W199 V202 | Y130-L132 VanDerWaalsContact C-N 3.28Å; Y130-L132 PolarHBondContact O-N 2.77Å; L132-Y135 PolarHBondContact O-N 3.39Å; L132-K136 HydrophobicContact CD1-CG 4.47Å; L132-K136 WeakPolarHBondContact O-CG 3.44Å; L132-K136 PolarHBondContact O-N 3.49Å; L132-W199 VanDerWaalsContact CA-CZ2 3.47Å; L132-W199 HydrophobicContact CB-CD2 4.38Å; L132-W199 HydrophobicContact CB-CZ2 3.97Å; L132-W199 HydrophobicContact CD1-CB 4.27Å; L132-W199 HydrophobicContact CD1-CD2 3.63Å; L132-W199 HydrophobicContact CD1-CE3 4.06Å; L132-W199 HydrophobicContact CD1-CG 3.72Å; L132-W199 HydrophobicContact CD1-CZ2 4.5Å; L132-W199 HydrophobicContact CG-CG 4.5Å; L132-V202 HydrophobicContact CD1-CG2 3.83Å |
| 133 | D | 92.8 | Very high | 90.7 | Very high | 66 Ų | 66 | 32.5 Ų | 32.5 | 35% | 0.353 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -72.3 | -36.7 | -178.2 | -67.3 | -24.5 | 0 | 0 | 0 | 111 | I83 Y130 Y135 K136 V137 | I83-D133 HydrophobicContact CD1-CB 4.48Å; Y130-D133 PolarHBondContact O-N 3.24Å; D133-Y135 VanDerWaalsContact C-N 3.32Å; D133-Y135 PolarHBondContact O-N 3.46Å; D133-K136 PolarHBondContact O-N 3.14Å; D133-K136 IonicContact OD1-NZ 3.76Å; D133-K136 PolarHBondContact OD1-NZ 3.34Å; D133-V137 WeakPolarHBondContact O-CG2 3.35Å; D133-V137 PolarHBondContact O-N 2.71Å |
| 134 | I | 94 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.2 | -44.3 | 169.3 | -63.3 | 171.8 | 0 | 0 | 0 | 110.6 | V79 I83 L100 V104 F126 Y130 L131 V137 S138 L169 | V79-I134 HydrophobicContact CG1-CD1 4.45Å; I83-I134 HydrophobicContact CD1-CG1 3.81Å; I83-I134 HydrophobicContact CG1-CG1 4.01Å; L100-I134 HydrophobicContact CB-CG2 4.09Å; L100-I134 HydrophobicContact CD1-CG2 4.28Å; L100-I134 HydrophobicContact CD2-CD1 3.99Å; L100-I134 HydrophobicContact CD2-CG1 3.96Å; L100-I134 HydrophobicContact CD2-CG2 4.49Å; V104-I134 HydrophobicContact CG2-CD1 4.23Å; V104-I134 HydrophobicContact CG2-CG2 4.08Å; F126-I134 HydrophobicContact CE2-CD1 3.77Å; F126-I134 HydrophobicContact CZ-CD1 3.57Å; Y130-I134 WeakPolarHBondContact O-CG1 3.38Å; Y130-I134 PolarHBondContact O-N 3.45Å; L131-I134 PolarHBondContact O-N 2.95Å; I134-V137 WeakPolarHBondContact O-CB 3.24Å; I134-V137 PolarHBondContact O-N 3.48Å; I134-S138 PolarHBondContact O-N 2.82Å; I134-S138 VanDerWaalsContact O-N 3.17Å; I134-L169 HydrophobicContact CG2-CD1 3.71Å; I134-L169 HydrophobicContact CG2-CD2 4.33Å; I134-L169 HydrophobicContact CG2-CG 4.32Å |
| 135 | Y | 95 | Very high | 90.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.3 | -42.9 | 176 | -175.6 | -118 | 0 | 0 | 0 | 112 | L131 L132 D133 V137 S138 I139 S170 C173 L174 W199 V202 F203 V208 Y212 | L131-Y135 WeakPolarHBondContact O-CB 3.32Å; L131-Y135 PolarHBondContact O-N 2.92Å; L132-Y135 PolarHBondContact O-N 3.39Å; D133-Y135 VanDerWaalsContact C-N 3.32Å; D133-Y135 PolarHBondContact O-N 3.46Å; Y135-V137 VanDerWaalsContact C-N 3.31Å; Y135-V137 PolarHBondContact O-N 2.9Å; Y135-S138 WeakPolarHBondContact O-CB 3.36Å; Y135-S138 PolarHBondContact O-N 2.91Å; Y135-S138 VanDerWaalsContact O-N 3.1Å; Y135-S138 PolarHBondContact O-OG 3.39Å; Y135-I139 HydrophobicContact CD1-CG1 4.25Å; Y135-I139 HydrophobicContact CE1-CD1 4.24Å; Y135-I139 HydrophobicContact CE1-CG1 3.9Å; Y135-I139 HydrophobicContact CE2-CD1 4.13Å; Y135-I139 HydrophobicContact CE2-CG1 4.21Å; Y135-I139 WeakPolarHBondContact O-CG1 3.33Å; Y135-I139 PolarHBondContact O-N 2.97Å; Y135-S170 WeakPolarHBondContact CE2-OG 3.38Å; Y135-C173 HydrophobicContact CD2-CB 3.73Å; Y135-C173 HydrophobicContact CG-CB 4.28Å; Y135-L174 HydrophobicContact CD2-CG 4.46Å; Y135-L174 HydrophobicContact CE2-CD1 4.03Å; Y135-L174 HydrophobicContact CE2-CD2 3.85Å; Y135-L174 HydrophobicContact CE2-CG 3.67Å; Y135-W199 AromaticContact CD1-CE3 3.94Å; Y135-W199 HydrophobicContact CD1-CE3 3.94Å; Y135-W199 HydrophobicContact CD1-CH2 4.41Å; Y135-W199 AromaticContact CD1-CZ3 3.54Å; Y135-W199 HydrophobicContact CD1-CZ3 3.54Å; Y135-W199 HydrophobicContact CD2-CZ3 4.39Å; Y135-W199 HydrophobicContact CE1-CE3 4.43Å; Y135-W199 HydrophobicContact CE1-CZ3 4.21Å; Y135-W199 HydrophobicContact CG-CE3 4.48Å; Y135-W199 HydrophobicContact CG-CH2 4.17Å; Y135-W199 AromaticContact CG-CZ3 3.65Å; Y135-W199 HydrophobicContact CG-CZ3 3.65Å; Y135-V202 HydrophobicContact CD1-CG1 4.14Å; Y135-V202 HydrophobicContact CE1-CG1 3.71Å; Y135-F203 HydrophobicContact CE1-CE1 4.24Å; Y135-F203 HydrophobicContact CE1-CE2 4.44Å; Y135-F203 AromaticContact CE1-CZ 3.76Å; Y135-F203 HydrophobicContact CE1-CZ 3.76Å; Y135-V208 WeakPolarHBondContact OH-CG1 3.27Å; Y135-Y212 PolarHBondContact OH-OH 3.21Å; Y135-Y212 VanDerWaalsContact OH-OH 3.04Å |
| 136 | K | 93.8 | Very high | 91 | Very high | 99 Ų | 99 | 34.4 Ų | 34.4 | 43% | 0.43 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.5 | -38.1 | 175.3 | -73 | 173 | -169.5 | 154.1 | 0 | 112.7 | L132 D133 S138 I139 G140 | L132-K136 HydrophobicContact CD1-CG 4.47Å; L132-K136 WeakPolarHBondContact O-CG 3.44Å; L132-K136 PolarHBondContact O-N 3.49Å; D133-K136 PolarHBondContact O-N 3.14Å; D133-K136 IonicContact OD1-NZ 3.76Å; D133-K136 PolarHBondContact OD1-NZ 3.34Å; K136-S138 VanDerWaalsContact C-N 3.33Å; K136-I139 PolarHBondContact O-N 3.17Å; K136-G140 PolarHBondContact O-N 3.36Å |
| 137 | V | 92.7 | Very high | 90.8 | Very high | 22 Ų | 22 | 42.1 Ų | 42.1 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.5 | -49.1 | 172.4 | 168.4 | 0 | 0 | 0 | 0 | 110.1 | I83 N86 D133 I134 Y135 I139 G140 L141 | I83-V137 HydrophobicContact CG2-CG2 3.98Å; N86-V137 HydrophobicContact CB-CG1 4.09Å; D133-V137 WeakPolarHBondContact O-CG2 3.35Å; D133-V137 PolarHBondContact O-N 2.71Å; I134-V137 WeakPolarHBondContact O-CB 3.24Å; I134-V137 PolarHBondContact O-N 3.48Å; Y135-V137 VanDerWaalsContact C-N 3.31Å; Y135-V137 PolarHBondContact O-N 2.9Å; V137-I139 PolarHBondContact O-N 3.17Å; V137-G140 PolarHBondContact O-N 3.4Å; V137-L141 HydrophobicContact CG1-CD1 4.22Å; V137-L141 WeakPolarHBondContact O-CG 3.26Å; V137-L141 PolarHBondContact O-N 3.47Å |
| 138 | S | 94.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.5 | -44.7 | 178 | 77.9 | 0 | 0 | 0 | 0 | 112.1 | I134 Y135 K136 G140 L141 L142 V166 | I134-S138 PolarHBondContact O-N 2.82Å; I134-S138 VanDerWaalsContact O-N 3.17Å; Y135-S138 WeakPolarHBondContact O-CB 3.36Å; Y135-S138 PolarHBondContact O-N 2.91Å; Y135-S138 VanDerWaalsContact O-N 3.1Å; Y135-S138 PolarHBondContact O-OG 3.39Å; K136-S138 VanDerWaalsContact C-N 3.33Å; S138-G140 PolarHBondContact O-N 3.27Å; S138-L141 PolarHBondContact O-N 3.3Å; S138-L142 WeakPolarHBondContact O-CB 3.32Å; S138-L142 VanDerWaalsContact O-CG 3.23Å; S138-L142 WeakPolarHBondContact O-CG 3.47Å; S138-L142 PolarHBondContact O-N 2.93Å; S138-V166 WeakPolarHBondContact O-CG1 3.48Å |
| 139 | I | 93.6 | Very high | 90.3 | Very high | 12 Ų | 12 | 40.7 Ų | 40.7 | 6% | 0.062 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.3 | -41.1 | 178 | -65.2 | -62 | 0 | 0 | 0 | 111.8 | Y135 K136 V137 L142 K143 V208 L211 Y212 | Y135-I139 HydrophobicContact CD1-CG1 4.25Å; Y135-I139 HydrophobicContact CE1-CD1 4.24Å; Y135-I139 HydrophobicContact CE1-CG1 3.9Å; Y135-I139 HydrophobicContact CE2-CD1 4.13Å; Y135-I139 HydrophobicContact CE2-CG1 4.21Å; Y135-I139 WeakPolarHBondContact O-CG1 3.33Å; Y135-I139 PolarHBondContact O-N 2.97Å; K136-I139 PolarHBondContact O-N 3.17Å; V137-I139 PolarHBondContact O-N 3.17Å; I139-L142 PolarHBondContact O-N 3.41Å; I139-K143 HydrophobicContact CG2-CD 4.21Å; I139-K143 HydrophobicContact CG2-CG 4.35Å; I139-K143 WeakPolarHBondContact O-CB 3.35Å; I139-K143 WeakPolarHBondContact O-CG 3.31Å; I139-K143 PolarHBondContact O-N 2.93Å; I139-V208 HydrophobicContact CD1-CG1 4.2Å; I139-V208 HydrophobicContact CD1-CG2 4.19Å; I139-L211 HydrophobicContact CD1-CD2 3.94Å; I139-L211 HydrophobicContact CG2-CD2 4.15Å; I139-Y212 VanDerWaalsContact CD1-OH 3.25Å; I139-Y212 WeakPolarHBondContact CD1-OH 3.23Å |
| 140 | G | 91.7 | Very high | 89.7 | Confident | 41 Ų | 41 | 45.2 Ų | 45.2 | 42% | 0.423 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.7 | -46.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K136 V137 S138 K143 S144 | K136-G140 PolarHBondContact O-N 3.36Å; V137-G140 PolarHBondContact O-N 3.4Å; S138-G140 PolarHBondContact O-N 3.27Å; G140-K143 PolarHBondContact O-N 3.42Å; G140-S144 PolarHBondContact O-N 3.36Å |
| 141 | L | 90.6 | Very high | 88.9 | Confident | 32 Ų | 32 | 47.9 Ų | 47.9 | 17% | 0.168 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 175.4 | -67.2 | 174.5 | 0 | 0 | 0 | 111.6 | N86 V97 V137 S138 K143 S144 V145 V166 | N86-L141 WeakPolarHBondContact OD1-CD1 3.38Å; V97-L141 HydrophobicContact CG2-CD1 3.75Å; V137-L141 HydrophobicContact CG1-CD1 4.22Å; V137-L141 WeakPolarHBondContact O-CG 3.26Å; V137-L141 PolarHBondContact O-N 3.47Å; S138-L141 PolarHBondContact O-N 3.3Å; L141-K143 VanDerWaalsContact C-N 3.32Å; L141-K143 PolarHBondContact O-N 3.36Å; L141-S144 PolarHBondContact O-N 2.97Å; L141-S144 PolarHBondContact O-OG 2.88Å; L141-V145 PolarHBondContact O-N 3.15Å; L141-V166 HydrophobicContact CB-CG1 3.85Å; L141-V166 HydrophobicContact CB-CG2 4.16Å; L141-V166 HydrophobicContact CD1-CG1 4.24Å; L141-V166 HydrophobicContact CD1-CG2 3.58Å |
| 142 | L | 92.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.2 | -37.1 | 178.2 | -68.4 | 176.2 | 0 | 0 | 0 | 112.4 | S138 I139 S144 V145 A146 L163 V166 L167 L211 Y212 I215 | S138-L142 WeakPolarHBondContact O-CB 3.32Å; S138-L142 VanDerWaalsContact O-CG 3.23Å; S138-L142 WeakPolarHBondContact O-CG 3.47Å; S138-L142 PolarHBondContact O-N 2.93Å; I139-L142 PolarHBondContact O-N 3.41Å; L142-S144 VanDerWaalsContact C-N 3.33Å; L142-S144 PolarHBondContact O-N 2.9Å; L142-V145 PolarHBondContact O-N 3.47Å; L142-A146 WeakPolarHBondContact O-CB 3.42Å; L142-A146 PolarHBondContact O-N 3.42Å; L142-L163 HydrophobicContact CD2-CD1 3.69Å; L142-V166 HydrophobicContact CD1-CG1 4.3Å; L142-V166 HydrophobicContact CD2-CB 4.18Å; L142-V166 HydrophobicContact CD2-CG1 3.58Å; L142-V166 HydrophobicContact CG-CG1 3.55Å; L142-L167 HydrophobicContact CD1-CD2 3.9Å; L142-L167 HydrophobicContact CD2-CD2 3.8Å; L142-L167 HydrophobicContact CD2-CG 3.87Å; L142-L211 HydrophobicContact CB-CD1 4.1Å; L142-L211 HydrophobicContact CB-CD2 3.82Å; L142-L211 HydrophobicContact CB-CG 4.15Å; L142-L211 HydrophobicContact CD1-CD2 4.49Å; L142-Y212 HydrophobicContact CD1-CD1 4.36Å; L142-Y212 HydrophobicContact CD1-CE1 3.64Å; L142-I215 HydrophobicContact CB-CD1 4.16Å; L142-I215 HydrophobicContact CD2-CD1 3.91Å; L142-I215 HydrophobicContact CG-CD1 4.42Å |
| 143 | K | 91.6 | Very high | 87.3 | Confident | 81 Ų | 81 | 51.8 Ų | 51.8 | 35% | 0.352 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 174.9 | -79.3 | -178.5 | 176.6 | -169.5 | 0 | 111.7 | I139 G140 L141 V145 A146 E147 L211 | I139-K143 HydrophobicContact CG2-CD 4.21Å; I139-K143 HydrophobicContact CG2-CG 4.35Å; I139-K143 WeakPolarHBondContact O-CB 3.35Å; I139-K143 WeakPolarHBondContact O-CG 3.31Å; I139-K143 PolarHBondContact O-N 2.93Å; G140-K143 PolarHBondContact O-N 3.42Å; L141-K143 VanDerWaalsContact C-N 3.32Å; L141-K143 PolarHBondContact O-N 3.36Å; K143-V145 VanDerWaalsContact C-N 3.26Å; K143-V145 PolarHBondContact O-N 2.92Å; K143-A146 PolarHBondContact O-N 2.86Å; K143-A146 VanDerWaalsContact O-N 3.13Å; K143-E147 WeakPolarHBondContact O-CG 3.49Å; K143-E147 PolarHBondContact O-N 3.26Å; K143-L211 HydrophobicContact CG-CD1 4.17Å; K143-L211 HydrophobicContact CG-CD2 4.16Å |
| 144 | S | 87.1 | Confident | 86.3 | Confident | 58 Ų | 58 | 51 Ų | 51 | 41% | 0.406 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.9 | -35.1 | 176.9 | 77.6 | 0 | 0 | 0 | 0 | 113 | G140 L141 L142 N148 | G140-S144 PolarHBondContact O-N 3.36Å; L141-S144 PolarHBondContact O-N 2.97Å; L141-S144 PolarHBondContact O-OG 2.88Å; L142-S144 VanDerWaalsContact C-N 3.33Å; L142-S144 PolarHBondContact O-N 2.9Å; S144-N148 PolarHBondContact O-ND2 3.47Å |
| 145 | V | 86.1 | Confident | 85.4 | Confident | 23 Ų | 23 | 59.2 Ų | 59.2 | 14% | 0.139 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70.3 | -45.8 | 172.8 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | L141 L142 K143 E147 N148 V149 F152 L163 I219 | L141-V145 PolarHBondContact O-N 3.15Å; L142-V145 PolarHBondContact O-N 3.47Å; K143-V145 VanDerWaalsContact C-N 3.26Å; K143-V145 PolarHBondContact O-N 2.92Å; V145-E147 PolarHBondContact O-N 3.41Å; V145-N148 CarbonylContact O-C 3.28Å; V145-N148 VanDerWaalsContact O-C 3.28Å; V145-N148 PolarHBondContact O-N 2.75Å; V145-N148 VanDerWaalsContact O-N 3.09Å; V145-V149 WeakPolarHBondContact O-CG2 3.49Å; V145-V149 PolarHBondContact O-N 3.01Å; V145-F152 HydrophobicContact CG1-CD2 3.72Å; V145-F152 HydrophobicContact CG1-CE2 3.86Å; V145-F152 HydrophobicContact CG1-CG 4.33Å; V145-F152 HydrophobicContact CG2-CE2 4.23Å; V145-L163 HydrophobicContact CG1-CD1 4.13Å; V145-L163 HydrophobicContact CG1-CD2 4.4Å; V145-L163 HydrophobicContact CG2-CD1 4.38Å; V145-I219 HydrophobicContact CG1-CD1 4Å |
| 146 | A | 85.6 | Confident | 84.8 | Confident | 24 Ų | 24 | 61.7 Ų | 61.7 | 20% | 0.198 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.8 | -37.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L142 K143 N148 V149 L211 | L142-A146 WeakPolarHBondContact O-CB 3.42Å; L142-A146 PolarHBondContact O-N 3.42Å; K143-A146 PolarHBondContact O-N 2.86Å; K143-A146 VanDerWaalsContact O-N 3.13Å; A146-N148 VanDerWaalsContact C-N 3.29Å; A146-N148 PolarHBondContact O-N 3.45Å; A146-V149 HydrophobicContact CB-CG2 4.49Å; A146-V149 WeakPolarHBondContact O-CG2 3.28Å; A146-L211 HydrophobicContact CB-CD1 3.34Å |
| 147 | E | 87.1 | Confident | 84.2 | Confident | 161 Ų | 161 | 61.9 Ų | 61.9 | 75% | 0.752 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -69.3 | -27.9 | 175.2 | -72.2 | 172.7 | -177 | 0 | 0 | 112.3 | K143 V145 | K143-E147 WeakPolarHBondContact O-CG 3.49Å; K143-E147 PolarHBondContact O-N 3.26Å; V145-E147 PolarHBondContact O-N 3.41Å |
| 148 | N | 83.3 | Confident | 83.6 | Confident | 89 Ų | 89 | 65.9 Ų | 65.9 | 48% | 0.476 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 23.6 | -179 | -67 | -61.3 | 0 | 0 | 0 | 113.2 | S144 V145 A146 I150 S151 F152 | S144-N148 PolarHBondContact O-ND2 3.47Å; V145-N148 CarbonylContact O-C 3.28Å; V145-N148 VanDerWaalsContact O-C 3.28Å; V145-N148 PolarHBondContact O-N 2.75Å; V145-N148 VanDerWaalsContact O-N 3.09Å; A146-N148 VanDerWaalsContact C-N 3.29Å; A146-N148 PolarHBondContact O-N 3.45Å; N148-I150 VanDerWaalsContact C-N 3.28Å; N148-I150 PolarHBondContact O-N 2.95Å; N148-S151 CarbonylContact O-C 3.48Å; N148-S151 PolarHBondContact O-N 3.45Å; N148-S151 PolarHBondContact O-OG 2.85Å; N148-F152 PolarHBondContact O-N 2.87Å |
| 149 | V | 79 | Confident | 83.1 | Confident | 17 Ų | 17 | 69 Ų | 69 | 10% | 0.103 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -38.6 | -171.4 | 165.4 | 0 | 0 | 0 | 0 | 113.7 | V145 A146 S151 F152 T214 H218 | V145-V149 WeakPolarHBondContact O-CG2 3.49Å; V145-V149 PolarHBondContact O-N 3.01Å; A146-V149 HydrophobicContact CB-CG2 4.49Å; A146-V149 WeakPolarHBondContact O-CG2 3.28Å; V149-S151 VanDerWaalsContact C-N 3.32Å; V149-F152 WeakPolarHBondContact O-CB 3.48Å; V149-F152 PolarHBondContact O-N 3.04Å; V149-T214 HydrophobicContact CG2-CG2 4Å; V149-H218 HydrophobicContact CG1-CB 3.11Å |
| 150 | I | 75.6 | Confident | 82.7 | Confident | 170 Ų | 170 | 73.8 Ų | 73.8 | 87% | 0.872 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -31 | -178.1 | -57.7 | 172 | 0 | 0 | 0 | 111.1 | N148 | N148-I150 VanDerWaalsContact C-N 3.28Å; N148-I150 PolarHBondContact O-N 2.95Å |
| 151 | S | 75 | Confident | 82.4 | Confident | 85 Ų | 85 | 74.4 Ų | 74.4 | 59% | 0.594 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -2.5 | 177.7 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | N148 V149 N153 | N148-S151 CarbonylContact O-C 3.48Å; N148-S151 PolarHBondContact O-N 3.45Å; N148-S151 PolarHBondContact O-OG 2.85Å; V149-S151 VanDerWaalsContact C-N 3.32Å; S151-N153 PolarHBondContact O-N 3.31Å |
| 152 | F | 76.5 | Confident | 82.3 | Confident | 32 Ų | 32 | 74.3 Ų | 74.3 | 14% | 0.14 | 40% | 0.395 | C | S | . | . | trans | -65.6 | 118 | -179.6 | -173.2 | -95.5 | 0 | 0 | 0 | 110.2 | V145 N148 V149 V154 Q159 L163 I219 | V145-F152 HydrophobicContact CG1-CD2 3.72Å; V145-F152 HydrophobicContact CG1-CE2 3.86Å; V145-F152 HydrophobicContact CG1-CG 4.33Å; V145-F152 HydrophobicContact CG2-CE2 4.23Å; N148-F152 PolarHBondContact O-N 2.87Å; V149-F152 WeakPolarHBondContact O-CB 3.48Å; V149-F152 PolarHBondContact O-N 3.04Å; F152-V154 HydrophobicContact CD1-CG2 4.01Å; F152-V154 HydrophobicContact CE1-CG2 4.42Å; F152-V154 PolarHBondContact O-N 3.25Å; F152-V154 VanDerWaalsContact O-N 3.17Å; F152-Q159 HydrophobicContact CE2-CB 4.16Å; F152-Q159 HydrophobicContact CZ-CB 4.08Å; F152-L163 HydrophobicContact CE1-CD2 3.88Å; F152-L163 HydrophobicContact CE2-CD2 4.4Å; F152-L163 HydrophobicContact CZ-CB 4.09Å; F152-L163 HydrophobicContact CZ-CD2 3.67Å; F152-L163 HydrophobicContact CZ-CG 4.5Å; F152-I219 HydrophobicContact CD1-CD1 3.86Å; F152-I219 HydrophobicContact CE1-CD1 4.16Å; F152-I219 HydrophobicContact CG-CD1 4.23Å | ||
| 153 | N | 75.9 | Confident | 82.2 | Confident | 76 Ų | 76 | 74.5 Ų | 74.5 | 41% | 0.406 | 40% | 0.396 | S | S | . | . | trans | -83.9 | 96 | -177.3 | -172.1 | 5.6 | 0 | 0 | 0 | 110.5 | S151 E155 D156 | S151-N153 PolarHBondContact O-N 3.31Å; N153-E155 PolarHBondContact O-N 3.49Å; N153-E155 VanDerWaalsContact O-N 3.17Å; N153-E155 WeakPolarHBondContact OD1-CB 3.38Å; N153-E155 PolarHBondContact OD1-N 2.89Å; N153-E155 VanDerWaalsContact OD1-N 3.14Å; N153-D156 HydrophobicContact CB-CB 4.1Å; N153-D156 WeakPolarHBondContact O-CB 3.34Å; N153-D156 PolarHBondContact O-N 2.9Å; N153-D156 VanDerWaalsContact O-N 3.1Å | ||
| 154 | V | 71 | Confident | 82.2 | Confident | 49 Ų | 49 | 73.3 Ų | 73.3 | 30% | 0.297 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -21.4 | 178.2 | -176.5 | 0 | 0 | 0 | 0 | 112.7 | F152 V221 | F152-V154 HydrophobicContact CD1-CG2 4.01Å; F152-V154 HydrophobicContact CE1-CG2 4.42Å; F152-V154 PolarHBondContact O-N 3.25Å; F152-V154 VanDerWaalsContact O-N 3.17Å; V154-V221 HydrophobicContact CG1-CG2 3.8Å |
| 155 | E | 75.4 | Confident | 82.4 | Confident | 173 Ų | 173 | 71.2 Ų | 71.2 | 81% | 0.808 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -19.8 | 177.8 | -57.5 | -172.5 | 163.1 | 0 | 0 | 113 | N153 T157 | N153-E155 PolarHBondContact O-N 3.49Å; N153-E155 VanDerWaalsContact O-N 3.17Å; N153-E155 WeakPolarHBondContact OD1-CB 3.38Å; N153-E155 PolarHBondContact OD1-N 2.89Å; N153-E155 VanDerWaalsContact OD1-N 3.14Å; E155-T157 PolarHBondContact O-N 2.9Å |
| 156 | D | 81.6 | Confident | 82.8 | Confident | 51 Ų | 51 | 70.3 Ų | 70.3 | 27% | 0.273 | 38% | 0.377 | S | S | . | . | trans | -71.6 | 112.4 | 175.2 | -172.9 | -29 | 0 | 0 | 0 | 109.4 | N153 D158 Q159 R160 | N153-D156 HydrophobicContact CB-CB 4.1Å; N153-D156 WeakPolarHBondContact O-CB 3.34Å; N153-D156 PolarHBondContact O-N 2.9Å; N153-D156 VanDerWaalsContact O-N 3.1Å; D156-D158 VanDerWaalsContact C-N 3.28Å; D156-D158 PolarHBondContact O-N 3.45Å; D156-D158 PolarHBondContact OD1-N 2.69Å; D156-Q159 HydrophobicContact CB-CB 4.02Å; D156-Q159 HydrophobicContact CB-CG 4.06Å; D156-Q159 PolarHBondContact O-N 3.22Å; D156-Q159 PolarHBondContact OD1-N 3.43Å; D156-R160 VanDerWaalsContact O-CB 3.24Å; D156-R160 WeakPolarHBondContact O-CB 3.38Å; D156-R160 PolarHBondContact O-N 2.95Å | ||
| 157 | T | 81.6 | Confident | 83.2 | Confident | 104 Ų | 104 | 69.1 Ų | 69.1 | 64% | 0.638 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -66.3 | -32.9 | -175.5 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | E155 S161 | E155-T157 PolarHBondContact O-N 2.9Å; T157-S161 VanDerWaalsContact O-CB 3.28Å; T157-S161 WeakPolarHBondContact O-CB 3.34Å; T157-S161 PolarHBondContact O-N 3.33Å; T157-S161 PolarHBondContact O-OG 3.18Å; T157-S161 VanDerWaalsContact O-OG 3.13Å |
| 158 | D | 81.6 | Confident | 83.6 | Confident | 106 Ų | 106 | 62.1 Ų | 62.1 | 57% | 0.567 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -77.4 | -39.2 | -178.6 | -63.9 | -29.2 | 0 | 0 | 0 | 110.8 | M90 D156 S161 L162 | M90-D158 VanDerWaalsContact CE-C 3.4Å; M90-D158 HydrophobicContact CE-CB 3.73Å; M90-D158 WeakPolarHBondContact CE-O 3.29Å; D156-D158 VanDerWaalsContact C-N 3.28Å; D156-D158 PolarHBondContact O-N 3.45Å; D156-D158 PolarHBondContact OD1-N 2.69Å; D158-S161 WeakPolarHBondContact CA-OG 3.32Å; D158-S161 PolarHBondContact O-OG 3.35Å; D158-L162 VanDerWaalsContact O-CB 3.3Å; D158-L162 WeakPolarHBondContact O-CB 3.44Å; D158-L162 PolarHBondContact O-N 2.93Å |
| 159 | Q | 83.2 | Confident | 84.2 | Confident | 65 Ų | 65 | 57.9 Ų | 57.9 | 30% | 0.304 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.7 | -40.8 | 173.4 | -68.4 | -174.5 | 1.1 | 0 | 0 | 111.6 | M90 F152 D156 L163 | M90-Q159 HydrophobicContact CE-CB 4.33Å; M90-Q159 HydrophobicContact CE-CG 3.72Å; F152-Q159 HydrophobicContact CE2-CB 4.16Å; F152-Q159 HydrophobicContact CZ-CB 4.08Å; D156-Q159 HydrophobicContact CB-CB 4.02Å; D156-Q159 HydrophobicContact CB-CG 4.06Å; D156-Q159 PolarHBondContact O-N 3.22Å; D156-Q159 PolarHBondContact OD1-N 3.43Å; Q159-L163 WeakPolarHBondContact O-CB 3.24Å; Q159-L163 PolarHBondContact O-N 3.37Å |
| 160 | R | 85 | Confident | 85 | Confident | 112 Ų | 112 | 57 Ų | 57 | 42% | 0.423 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 177.2 | 178 | 179.8 | 171.8 | 145 | 2.3 | 111.7 | D156 L162 L163 V164 V221 | D156-R160 VanDerWaalsContact O-CB 3.24Å; D156-R160 WeakPolarHBondContact O-CB 3.38Å; D156-R160 PolarHBondContact O-N 2.95Å; R160-L162 VanDerWaalsContact C-N 3.34Å; R160-L163 PolarHBondContact O-N 3.22Å; R160-V164 WeakPolarHBondContact O-CG2 3.49Å; R160-V164 PolarHBondContact O-N 2.94Å; R160-V221 HydrophobicContact CG-CG1 4.09Å |
| 161 | S | 86.2 | Confident | 85.9 | Confident | 54 Ų | 54 | 50.3 Ų | 50.3 | 38% | 0.378 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 179.4 | 65.9 | 0 | 0 | 0 | 0 | 111.2 | T157 D158 V164 G165 | T157-S161 VanDerWaalsContact O-CB 3.28Å; T157-S161 WeakPolarHBondContact O-CB 3.34Å; T157-S161 PolarHBondContact O-N 3.33Å; T157-S161 PolarHBondContact O-OG 3.18Å; T157-S161 VanDerWaalsContact O-OG 3.13Å; D158-S161 WeakPolarHBondContact CA-OG 3.32Å; D158-S161 PolarHBondContact O-OG 3.35Å; S161-V164 PolarHBondContact O-N 2.8Å; S161-G165 PolarHBondContact O-N 2.71Å |
| 162 | L | 87.6 | Confident | 86.8 | Confident | 31 Ų | 31 | 46.6 Ų | 46.6 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60 | -49 | 174 | -178.2 | 62 | 0 | 0 | 0 | 111.3 | M90 V97 D158 R160 V164 G165 V166 | M90-L162 HydrophobicContact CE-CD2 4.32Å; M90-L162 HydrophobicContact CG-CD2 4.39Å; V97-L162 HydrophobicContact CG2-CD1 4.22Å; D158-L162 VanDerWaalsContact O-CB 3.3Å; D158-L162 WeakPolarHBondContact O-CB 3.44Å; D158-L162 PolarHBondContact O-N 2.93Å; R160-L162 VanDerWaalsContact C-N 3.34Å; L162-V164 PolarHBondContact O-N 3.29Å; L162-G165 CarbonylContact O-C 3.42Å; L162-G165 WeakPolarHBondContact O-CA 3.25Å; L162-G165 PolarHBondContact O-N 2.99Å; L162-G165 VanDerWaalsContact O-N 3.11Å; L162-V166 HydrophobicContact CD1-CG2 4.1Å; L162-V166 HydrophobicContact CG-CG2 4.28Å; L162-V166 VanDerWaalsContact O-CG2 3.24Å; L162-V166 WeakPolarHBondContact O-CG2 3.11Å; L162-V166 PolarHBondContact O-N 2.9Å |
| 163 | L | 90.3 | Very high | 87.7 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.3 | -44 | 178.8 | 177.5 | 60.1 | 0 | 0 | 0 | 112.4 | L142 V145 F152 Q159 R160 G165 V166 L167 I219 V222 | L142-L163 HydrophobicContact CD2-CD1 3.69Å; V145-L163 HydrophobicContact CG1-CD1 4.13Å; V145-L163 HydrophobicContact CG1-CD2 4.4Å; V145-L163 HydrophobicContact CG2-CD1 4.38Å; F152-L163 HydrophobicContact CE1-CD2 3.88Å; F152-L163 HydrophobicContact CE2-CD2 4.4Å; F152-L163 HydrophobicContact CZ-CB 4.09Å; F152-L163 HydrophobicContact CZ-CD2 3.67Å; F152-L163 HydrophobicContact CZ-CG 4.5Å; Q159-L163 WeakPolarHBondContact O-CB 3.24Å; Q159-L163 PolarHBondContact O-N 3.37Å; R160-L163 PolarHBondContact O-N 3.22Å; L163-G165 VanDerWaalsContact C-N 3.32Å; L163-G165 PolarHBondContact O-N 3.43Å; L163-V166 PolarHBondContact O-N 3.34Å; L163-L167 HydrophobicContact CD1-CD1 4.14Å; L163-L167 HydrophobicContact CD1-CG 4.25Å; L163-L167 HydrophobicContact CG-CD1 4.23Å; L163-L167 PolarHBondContact O-N 3.49Å; L163-I219 HydrophobicContact CD2-CD1 3.63Å; L163-I219 HydrophobicContact CD2-CG2 4.02Å; L163-V222 HydrophobicContact CD2-CG1 4.14Å; L163-V222 HydrophobicContact CD2-CG2 4.03Å; L163-V222 HydrophobicContact CG-CG1 4.24Å; L163-V222 HydrophobicContact CG-CG2 4.48Å |
| 164 | V | 91.6 | Very high | 88.4 | Confident | 56 Ų | 56 | 41.5 Ų | 41.5 | 34% | 0.339 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.1 | -46.3 | 174.2 | 169.6 | 0 | 0 | 0 | 0 | 110.3 | R160 S161 L162 V166 A168 V222 L225 | R160-V164 WeakPolarHBondContact O-CG2 3.49Å; R160-V164 PolarHBondContact O-N 2.94Å; S161-V164 PolarHBondContact O-N 2.8Å; L162-V164 PolarHBondContact O-N 3.29Å; V164-V166 PolarHBondContact O-N 2.9Å; V164-A168 WeakPolarHBondContact O-CB 3.48Å; V164-A168 PolarHBondContact O-N 3.32Å; V164-V222 HydrophobicContact CG2-CG1 3.72Å; V164-L225 HydrophobicContact CG1-CD1 3.96Å |
| 165 | G | 91 | Very high | 89.3 | Confident | 13 Ų | 13 | 41.9 Ų | 41.9 | 13% | 0.134 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.1 | -44.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V97 S161 L162 L163 A168 L169 | V97-G165 WeakPolarHBondContact CG1-O 3.28Å; S161-G165 PolarHBondContact O-N 2.71Å; L162-G165 CarbonylContact O-C 3.42Å; L162-G165 WeakPolarHBondContact O-CA 3.25Å; L162-G165 PolarHBondContact O-N 2.99Å; L162-G165 VanDerWaalsContact O-N 3.11Å; L163-G165 VanDerWaalsContact C-N 3.32Å; L163-G165 PolarHBondContact O-N 3.43Å; G165-A168 PolarHBondContact O-N 2.95Å; G165-L169 WeakPolarHBondContact O-CB 3.32Å; G165-L169 PolarHBondContact O-N 3.32Å |
| 166 | V | 93.8 | Very high | 89.9 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.024 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.5 | -42.4 | -178.1 | 178 | 0 | 0 | 0 | 0 | 111.4 | V97 S138 L141 L142 L162 L163 V164 L169 S170 | V97-V166 HydrophobicContact CG1-CG2 3.96Å; V97-V166 HydrophobicContact CG2-CG2 3.81Å; S138-V166 WeakPolarHBondContact O-CG1 3.48Å; L141-V166 HydrophobicContact CB-CG1 3.85Å; L141-V166 HydrophobicContact CB-CG2 4.16Å; L141-V166 HydrophobicContact CD1-CG1 4.24Å; L141-V166 HydrophobicContact CD1-CG2 3.58Å; L142-V166 HydrophobicContact CD1-CG1 4.3Å; L142-V166 HydrophobicContact CD2-CB 4.18Å; L142-V166 HydrophobicContact CD2-CG1 3.58Å; L142-V166 HydrophobicContact CG-CG1 3.55Å; L162-V166 HydrophobicContact CD1-CG2 4.1Å; L162-V166 HydrophobicContact CG-CG2 4.28Å; L162-V166 VanDerWaalsContact O-CG2 3.24Å; L162-V166 WeakPolarHBondContact O-CG2 3.11Å; L162-V166 PolarHBondContact O-N 2.9Å; L163-V166 PolarHBondContact O-N 3.34Å; V164-V166 PolarHBondContact O-N 2.9Å; V166-L169 WeakPolarHBondContact O-CB 3.17Å; V166-L169 PolarHBondContact O-N 3.34Å; V166-S170 WeakPolarHBondContact O-CB 3.21Å; V166-S170 PolarHBondContact O-N 3.21Å |
| 167 | L | 95.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.1 | -40.8 | 174 | -75.8 | 169.3 | 0 | 0 | 0 | 111.5 | L142 L163 L169 S170 L171 Y212 I215 V222 L225 | L142-L167 HydrophobicContact CD1-CD2 3.9Å; L142-L167 HydrophobicContact CD2-CD2 3.8Å; L142-L167 HydrophobicContact CD2-CG 3.87Å; L163-L167 HydrophobicContact CD1-CD1 4.14Å; L163-L167 HydrophobicContact CD1-CG 4.25Å; L163-L167 HydrophobicContact CG-CD1 4.23Å; L163-L167 PolarHBondContact O-N 3.49Å; L167-L169 VanDerWaalsContact C-N 3.32Å; L167-L169 PolarHBondContact O-N 2.72Å; L167-S170 PolarHBondContact O-N 3.28Å; L167-L171 WeakPolarHBondContact O-CB 3.21Å; L167-L171 PolarHBondContact O-N 3.27Å; L167-Y212 HydrophobicContact CD2-CD1 4.18Å; L167-Y212 HydrophobicContact CD2-CE1 4.31Å; L167-I215 HydrophobicContact CD1-CG2 4.14Å; L167-I215 HydrophobicContact CD2-CD1 4.44Å; L167-V222 HydrophobicContact CD1-CB 3.54Å; L167-V222 HydrophobicContact CD1-CG1 4.2Å; L167-V222 HydrophobicContact CD1-CG2 3.56Å; L167-L225 HydrophobicContact CB-CB 3.86Å; L167-L225 HydrophobicContact CB-CD1 4.11Å; L167-L225 HydrophobicContact CD1-CB 4.24Å |
| 168 | A | 94.9 | Very high | 89.6 | Confident | 13 Ų | 13 | 31.2 Ų | 31.2 | 11% | 0.107 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.7 | -33.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V164 G165 A172 L225 | V164-A168 WeakPolarHBondContact O-CB 3.48Å; V164-A168 PolarHBondContact O-N 3.32Å; G165-A168 PolarHBondContact O-N 2.95Å; A168-A172 WeakPolarHBondContact O-CB 3.36Å; A168-A172 PolarHBondContact O-N 3.48Å; A168-L225 HydrophobicContact CB-CD1 4.38Å; A168-L225 HydrophobicContact CB-CD2 4.47Å |
| 169 | L | 95.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.3 | -48.9 | 170.7 | 173.8 | 61.2 | 0 | 0 | 0 | 111 | V97 L100 R101 V104 I134 G165 V166 L167 L171 A172 C173 | V97-L169 HydrophobicContact CG1-CB 4.23Å; V97-L169 HydrophobicContact CG1-CD2 4.23Å; L100-L169 HydrophobicContact CB-CD1 3.84Å; L100-L169 HydrophobicContact CB-CD2 4.17Å; L100-L169 HydrophobicContact CD1-CD2 4.41Å; R101-L169 HydrophobicContact CB-CB 4.27Å; R101-L169 HydrophobicContact CB-CD1 4.03Å; V104-L169 HydrophobicContact CG2-CD1 4.43Å; I134-L169 HydrophobicContact CG2-CD1 3.71Å; I134-L169 HydrophobicContact CG2-CD2 4.33Å; I134-L169 HydrophobicContact CG2-CG 4.32Å; G165-L169 WeakPolarHBondContact O-CB 3.32Å; G165-L169 PolarHBondContact O-N 3.32Å; V166-L169 WeakPolarHBondContact O-CB 3.17Å; V166-L169 PolarHBondContact O-N 3.34Å; L167-L169 VanDerWaalsContact C-N 3.32Å; L167-L169 PolarHBondContact O-N 2.72Å; L169-L171 VanDerWaalsContact C-N 3.32Å; L169-L171 PolarHBondContact O-N 2.91Å; L169-A172 WeakPolarHBondContact O-CB 3.25Å; L169-A172 PolarHBondContact O-N 3.26Å; L169-A172 VanDerWaalsContact O-N 3.17Å; L169-C173 PolarHBondContact O-N 3.41Å; L169-C173 PolarHBondContact O-SG 3.42Å; L169-C173 VanDerWaalsContact O-SG 3.37Å |
| 170 | S | 96.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.5 | -46.6 | 176.9 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | Y135 V166 L167 A172 C173 L174 Y212 | Y135-S170 WeakPolarHBondContact CE2-OG 3.38Å; V166-S170 WeakPolarHBondContact O-CB 3.21Å; V166-S170 PolarHBondContact O-N 3.21Å; L167-S170 PolarHBondContact O-N 3.28Å; S170-A172 VanDerWaalsContact C-N 3.35Å; S170-A172 PolarHBondContact O-N 3.15Å; S170-C173 WeakPolarHBondContact O-CB 3.47Å; S170-C173 PolarHBondContact O-N 3.42Å; S170-L174 WeakPolarHBondContact O-CG 3.44Å; S170-L174 PolarHBondContact O-N 2.94Å; S170-Y212 PolarHBondContact OG-OH 3.42Å |
| 171 | L | 95.1 | Very high | 85.9 | Confident | 28 Ų | 28 | 27.2 Ų | 27.2 | 15% | 0.147 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 175.8 | -177.8 | 59.2 | 0 | 0 | 0 | 111.9 | L167 L169 C173 L174 S175 L225 N228 Q232 | L167-L171 WeakPolarHBondContact O-CB 3.21Å; L167-L171 PolarHBondContact O-N 3.27Å; L169-L171 VanDerWaalsContact C-N 3.32Å; L169-L171 PolarHBondContact O-N 2.91Å; L171-C173 VanDerWaalsContact C-N 3.33Å; L171-C173 PolarHBondContact O-N 2.95Å; L171-L174 PolarHBondContact O-N 3.5Å; L171-S175 WeakPolarHBondContact CD1-OG 3.33Å; L171-S175 WeakPolarHBondContact O-CB 3.43Å; L171-S175 PolarHBondContact O-N 3.39Å; L171-S175 PolarHBondContact O-OG 3.07Å; L171-L225 HydrophobicContact CD2-CD2 3.97Å; L171-N228 HydrophobicContact CD1-CB 3.81Å; L171-N228 HydrophobicContact CD2-CB 3.74Å; L171-N228 HydrophobicContact CG-CB 4.44Å; L171-Q232 HydrophobicContact CD1-CG 3.82Å |
| 172 | A | 93.4 | Very high | 84.1 | Confident | 8 Ų | 8 | 32.3 Ų | 32.3 | 7% | 0.066 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.8 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R101 V104 L105 A168 L169 S170 F176 | R101-A172 HydrophobicContact CG-CB 4.2Å; V104-A172 HydrophobicContact CB-CB 4.33Å; V104-A172 HydrophobicContact CG1-CB 3.9Å; V104-A172 WeakPolarHBondContact CG1-O 3.46Å; L105-A172 HydrophobicContact CD2-CB 4.08Å; L105-A172 HydrophobicContact CG-CB 4.26Å; A168-A172 WeakPolarHBondContact O-CB 3.36Å; A168-A172 PolarHBondContact O-N 3.48Å; L169-A172 WeakPolarHBondContact O-CB 3.25Å; L169-A172 PolarHBondContact O-N 3.26Å; L169-A172 VanDerWaalsContact O-N 3.17Å; S170-A172 VanDerWaalsContact C-N 3.35Å; S170-A172 PolarHBondContact O-N 3.15Å; A172-F176 PolarHBondContact O-N 3.45Å |
| 173 | C | 94.6 | Very high | 82.1 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.7 | -43.2 | 175.4 | -68.6 | 0 | 0 | 0 | 0 | 112.3 | L131 Y135 L169 S170 L171 F176 F178 | L131-C173 HydrophobicContact CD1-CB 4.26Å; Y135-C173 HydrophobicContact CD2-CB 3.73Å; Y135-C173 HydrophobicContact CG-CB 4.28Å; L169-C173 PolarHBondContact O-N 3.41Å; L169-C173 PolarHBondContact O-SG 3.42Å; L169-C173 VanDerWaalsContact O-SG 3.37Å; S170-C173 WeakPolarHBondContact O-CB 3.47Å; S170-C173 PolarHBondContact O-N 3.42Å; L171-C173 VanDerWaalsContact C-N 3.33Å; L171-C173 PolarHBondContact O-N 2.95Å; C173-F176 WeakPolarHBondContact O-CB 3.39Å; C173-F176 PolarHBondContact O-N 3.44Å; C173-F178 WeakPolarHBondContact O-CZ 3.25Å |
| 174 | L | 92.2 | Very high | 79.7 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72.3 | -29.8 | 179.7 | -71.4 | 172.9 | 0 | 0 | 0 | 113.2 | Y135 S170 L171 F176 I195 F203 Y212 C229 Q232 V233 | Y135-L174 HydrophobicContact CD2-CG 4.46Å; Y135-L174 HydrophobicContact CE2-CD1 4.03Å; Y135-L174 HydrophobicContact CE2-CD2 3.85Å; Y135-L174 HydrophobicContact CE2-CG 3.67Å; S170-L174 WeakPolarHBondContact O-CG 3.44Å; S170-L174 PolarHBondContact O-N 2.94Å; L171-L174 PolarHBondContact O-N 3.5Å; L174-F176 VanDerWaalsContact C-N 3.3Å; L174-I195 HydrophobicContact CD2-CD1 4.34Å; L174-F203 HydrophobicContact CD2-CE1 4.25Å; L174-F203 HydrophobicContact CD2-CZ 3.83Å; L174-Y212 HydrophobicContact CD1-CE2 4.27Å; L174-C229 HydrophobicContact CD1-CB 4.21Å; L174-Q232 HydrophobicContact CB-CB 3.69Å; L174-Q232 HydrophobicContact CB-CG 4.01Å; L174-Q232 HydrophobicContact CD1-CB 4.24Å; L174-Q232 HydrophobicContact CG-CB 4.48Å; L174-V233 HydrophobicContact CD1-CG2 4.08Å |
| 175 | S | 89.3 | Confident | 77.2 | Confident | 56 Ų | 56 | 42.2 Ų | 42.2 | 39% | 0.392 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 2.7 | 178.8 | -49.8 | 0 | 0 | 0 | 0 | 112.9 | L171 | L171-S175 WeakPolarHBondContact CD1-OG 3.33Å; L171-S175 WeakPolarHBondContact O-CB 3.43Å; L171-S175 PolarHBondContact O-N 3.39Å; L171-S175 PolarHBondContact O-OG 3.07Å |
| 176 | F | 88.8 | Confident | 74.8 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 6% | 0.057 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -63.4 | 136.5 | 176.9 | -168.8 | -90.4 | 0 | 0 | 0 | 110.5 | V104 M107 A123 F126 R127 L131 A172 C173 L174 F178 | V104-F176 HydrophobicContact CG1-CD2 4.09Å; M107-F176 HydrophobicContact CB-CE2 4.08Å; A123-F176 HydrophobicContact CB-CZ 4.07Å; F126-F176 HydrophobicContact CD1-CE2 4.02Å; F126-F176 HydrophobicContact CD1-CZ 4.15Å; F126-F176 HydrophobicContact CE1-CE2 4.17Å; R127-F176 HydrophobicContact CB-CE1 3.88Å; R127-F176 HydrophobicContact CB-CZ 4.49Å; R127-F176 HydrophobicContact CG-CD1 4.48Å; R127-F176 HydrophobicContact CG-CE1 4.23Å; L131-F176 HydrophobicContact CD1-CD2 4.4Å; L131-F176 HydrophobicContact CD2-CB 3.85Å; L131-F176 HydrophobicContact CD2-CD1 3.57Å; L131-F176 HydrophobicContact CD2-CD2 4.14Å; L131-F176 HydrophobicContact CD2-CE1 4.13Å; L131-F176 HydrophobicContact CD2-CG 3.57Å; A172-F176 PolarHBondContact O-N 3.45Å; C173-F176 WeakPolarHBondContact O-CB 3.39Å; C173-F176 PolarHBondContact O-N 3.44Å; L174-F176 VanDerWaalsContact C-N 3.3Å; F176-F178 HydrophobicContact CB-CE2 4.41Å; F176-F178 HydrophobicContact CB-CZ 4.35Å; F176-F178 HydrophobicContact CD1-CD1 4.43Å; F176-F178 WeakPolarHBondContact O-CD2 3.44Å; F176-F178 WeakPolarHBondContact O-CE2 3.45Å; F176-F178 PolarHBondContact O-N 2.86Å |
| 177 | E | 79.4 | Confident | 72.2 | Confident | 82 Ų | 82 | 60.6 Ų | 60.6 | 38% | 0.383 | 33% | 0.327 | S | S | . | . | trans | -72.4 | 92.1 | 177 | -71.6 | -170.1 | -177 | 0 | 0 | 110.2 | A179 R182 | E177-A179 VanDerWaalsContact C-N 3.3Å; E177-A179 PolarHBondContact O-N 2.67Å; E177-R182 IonicContact OE1-CZ 3.97Å; E177-R182 VanDerWaalsContact OE1-CZ 3.3Å; E177-R182 IonicContact OE1-NE 3.22Å; E177-R182 PolarHBondContact OE1-NE 2.88Å; E177-R182 IonicContact OE1-NH2 2.71Å; E177-R182 PolarHBondContact OE1-NH2 3.07Å; E177-R182 IonicContact OE2-NE 3.77Å; E177-R182 PolarHBondContact OE2-NE 3.38Å | ||
| 178 | F | 76.3 | Confident | 69.7 | Low | 10 Ų | 10 | 66.4 Ų | 66.4 | 4% | 0.044 | 36% | 0.358 | C | S | . | . | trans | -70.9 | -20.4 | -176.7 | -65.5 | -82.8 | 0 | 0 | 0 | 114.3 | R127 L131 C173 F176 V193 L194 I195 P196 W199 | R127-F178 HydrophobicContact CG-CD1 3.84Å; R127-F178 HydrophobicContact CG-CE1 4.35Å; R127-F178 PolarHBondContact NH1-O 3.12Å; L131-F178 HydrophobicContact CD2-CD1 4.43Å; L131-F178 HydrophobicContact CD2-CE1 3.73Å; L131-F178 HydrophobicContact CD2-CZ 4.27Å; C173-F178 WeakPolarHBondContact O-CZ 3.25Å; F176-F178 HydrophobicContact CB-CE2 4.41Å; F176-F178 HydrophobicContact CB-CZ 4.35Å; F176-F178 HydrophobicContact CD1-CD1 4.43Å; F176-F178 WeakPolarHBondContact O-CD2 3.44Å; F176-F178 WeakPolarHBondContact O-CE2 3.45Å; F176-F178 PolarHBondContact O-N 2.86Å; F178-V193 HydrophobicContact CD2-CG1 3.85Å; F178-V193 HydrophobicContact CE2-CG1 3.76Å; F178-L194 HydrophobicContact CB-CB 4.4Å; F178-L194 WeakPolarHBondContact CB-O 3.38Å; F178-I195 HydrophobicContact CD2-CG1 4.29Å; F178-I195 HydrophobicContact CE2-CG1 3.94Å; F178-I195 HydrophobicContact CZ-CG1 4.22Å; F178-P196 HydrophobicContact CD1-CG 3.99Å; F178-W199 HydrophobicContact CE1-CH2 4.01Å; F178-W199 AromaticContact CE1-CZ2 3.82Å; F178-W199 HydrophobicContact CE1-CZ2 3.82Å; F178-W199 HydrophobicContact CE1-CZ3 4.49Å; F178-W199 HydrophobicContact CZ-CH2 4.01Å; F178-W199 HydrophobicContact CZ-CZ2 4.3Å; F178-W199 HydrophobicContact CZ-CZ3 4.23Å | ||
| 179 | A | 65.1 | Low | 67.5 | Low | 39 Ų | 39 | 70.3 Ų | 70.3 | 32% | 0.322 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -109.2 | 135 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | E177 S181 L194 | E177-A179 VanDerWaalsContact C-N 3.3Å; E177-A179 PolarHBondContact O-N 2.67Å; A179-S181 PolarHBondContact O-N 3.35Å; A179-L194 HydrophobicContact CB-CB 4.32Å; A179-L194 HydrophobicContact CB-CD1 3.44Å; A179-L194 VanDerWaalsContact CB-CD1 3.44Å; A179-L194 HydrophobicContact CB-CG 4.47Å |
| 180 | S | 55.4 | Low | 65.6 | Low | 64 Ų | 64 | 73.3 Ų | 73.3 | 45% | 0.448 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -71.1 | -10.9 | -179.1 | 50.2 | 0 | 0 | 0 | 0 | 114.3 | R182 | S180-R182 PolarHBondContact O-N 3.1Š|
| 181 | S | 51.5 | Low | 64.2 | Low | 96 Ų | 96 | 78.4 Ų | 78.4 | 67% | 0.671 | 42% | 0.421 | S | S | * | . | trans | -91.2 | 82.6 | -174.6 | 174.7 | 0 | 0 | 0 | 0 | 112 | A179 G183 | A179-S181 PolarHBondContact O-N 3.35Å; S181-G183 PolarHBondContact O-N 3.18Å | ||
| 182 | R | 48.6 | Very low | 63.4 | Low | 161 Ų | 161 | 79.5 Ų | 79.5 | 61% | 0.608 | 43% | 0.429 | S | S | * | . | trans | -72.1 | 82.5 | 147.9 | -80.5 | -172 | 172.8 | -145.9 | -1.2 | 108.1 | E177 S180 | E177-R182 IonicContact OE1-CZ 3.97Å; E177-R182 VanDerWaalsContact OE1-CZ 3.3Å; E177-R182 IonicContact OE1-NE 3.22Å; E177-R182 PolarHBondContact OE1-NE 2.88Å; E177-R182 IonicContact OE1-NH2 2.71Å; E177-R182 PolarHBondContact OE1-NH2 3.07Å; E177-R182 IonicContact OE2-NE 3.77Å; E177-R182 PolarHBondContact OE2-NE 3.38Å; S180-R182 PolarHBondContact O-N 3.1Å | ||
| 183 | G | 45.4 | Very low | 62.9 | Low | 53 Ų | 53 | 79.7 Ų | 79.7 | 55% | 0.546 | 43% | 0.429 | S | S | . | . | trans | -59.7 | 136.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | S181 D185 | S181-G183 PolarHBondContact O-N 3.18Å; G183-D185 PolarHBondContact O-N 3.12Å | ||
| 184 | T | 40.6 | Very low | 62.3 | Low | 109 Ų | 109 | 82.9 Ų | 82.9 | 67% | 0.669 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -67.6 | 18.1 | -172 | 43.4 | 0 | 0 | 0 | 0 | 115.5 | E186 | T184-E186 PolarHBondContact O-N 3.47Š|
| 185 | D | 39.7 | Very low | 61.9 | Low | 137 Ų | 137 | 83.5 Ų | 83.5 | 73% | 0.733 | 45% | 0.449 | S | S | * | . | trans | -101 | 77.8 | 179.9 | -67.9 | -24.9 | 0 | 0 | 0 | 109.6 | G183 R187 | G183-D185 PolarHBondContact O-N 3.12Å; D185-R187 PolarHBondContact O-N 2.99Å | ||
| 186 | E | 40.4 | Very low | 61.7 | Low | 173 Ų | 173 | 82 Ų | 82 | 81% | 0.808 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 86.4 | 161.1 | -71.6 | -179.1 | 163.8 | 0 | 0 | 108.8 | T184 | T184-E186 PolarHBondContact O-N 3.47Š|
| 187 | R | 39.4 | Very low | 61.4 | Low | 230 Ų | 230 | 86 Ų | 86 | 87% | 0.868 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -173.9 | 6.1 | 158.2 | -111.7 | 174.7 | -111.4 | -152.4 | -4 | 117.8 | D185 E189 | D185-R187 PolarHBondContact O-N 2.99Å; R187-E189 PolarHBondContact O-N 3Å |
| 188 | D | 42.9 | Very low | 61.7 | Low | 121 Ų | 121 | 85.4 Ų | 85.4 | 65% | 0.647 | 47% | 0.473 | S | S | * | . | trans | -81.8 | 108.5 | 176.5 | -76 | -14.7 | 0 | 0 | 0 | 110.8 | S190 | D188-S190 PolarHBondContact O-N 3.38Š| ||
| 189 | E | 49 | Very low | 62.3 | Low | 96 Ų | 96 | 85 Ų | 85 | 45% | 0.449 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -53.5 | -15.4 | 169.3 | -66.9 | -178.2 | 170.9 | 0 | 0 | 112.9 | R187 I191 H324 | R187-E189 PolarHBondContact O-N 3Å; E189-I191 VanDerWaalsContact C-N 3.29Å; E189-I191 PolarHBondContact O-N 2.96Å; E189-I191 VanDerWaalsContact O-N 3.11Å; E189-H324 IonicContact OE1-CE1 3.62Å; E189-H324 IonicContact OE1-NE2 3.81Å |
| 190 | S | 53.8 | Low | 63.3 | Low | 62 Ų | 62 | 86.8 Ų | 86.8 | 43% | 0.434 | 47% | 0.469 | S | S | . | . | trans | -81.7 | 62.3 | 171.7 | 69 | 0 | 0 | 0 | 0 | 112.3 | D188 V192 | D188-S190 PolarHBondContact O-N 3.38Å; S190-V192 PolarHBondContact O-N 3.5Å | ||
| 191 | I | 68.5 | Low | 64.8 | Low | 107 Ų | 107 | 90.2 Ų | 90.2 | 55% | 0.549 | 48% | 0.482 | S | S | . | . | trans | -74.8 | 86.2 | 167.3 | -47.5 | 179.7 | 0 | 0 | 0 | 107.6 | E189 R282 | E189-I191 VanDerWaalsContact C-N 3.29Å; E189-I191 PolarHBondContact O-N 2.96Å; E189-I191 VanDerWaalsContact O-N 3.11Å; I191-R282 PolarHBondContact O-NH1 3.19Å | ||
| 192 | V | 77.9 | Confident | 66.6 | Low | 52 Ų | 52 | 86.9 Ų | 86.9 | 32% | 0.315 | 46% | 0.458 | S | S | . | . | trans | -81.5 | 130.2 | 174.5 | -178 | 0 | 0 | 0 | 0 | 108.7 | S190 L194 S235 R237 | S190-V192 PolarHBondContact O-N 3.5Å; V192-L194 HydrophobicContact CG1-CD2 4.38Å; V192-L194 PolarHBondContact O-N 3.42Å; V192-S235 CarbonylContact C-O 3.58Å; V192-S235 WeakPolarHBondContact CA-O 3.42Å; V192-S235 WeakPolarHBondContact CG1-O 3.32Å; V192-R237 HydrophobicContact CG1-CB 3.41Å; V192-R237 VanDerWaalsContact CG1-CB 3.41Å; V192-R237 HydrophobicContact CG1-CG 3.83Å | ||
| 193 | V | 81.7 | Confident | 68.4 | Low | 11 Ų | 11 | 79.5 Ų | 79.5 | 7% | 0.067 | 43% | 0.431 | C | S | . | . | B | Isolated β-bridge | trans | -77.4 | 117.2 | 174.9 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | F178 I195 S235 R237 | F178-V193 HydrophobicContact CD2-CG1 3.85Å; F178-V193 HydrophobicContact CE2-CG1 3.76Å; V193-I195 HydrophobicContact CG1-CD1 4.15Å; V193-I195 HydrophobicContact CG1-CG1 3.55Å; V193-I195 PolarHBondContact O-N 3.48Å; V193-S235 PolarHBondContact N-O 2.96Å; V193-R237 PolarHBondContact O-N 3.01Å |
| 194 | L | 82.6 | Confident | 70.3 | Confident | 67 Ų | 67 | 80.6 Ų | 80.6 | 35% | 0.351 | 42% | 0.42 | S | S | . | . | trans | -93.7 | 56 | -173.5 | -64.8 | 178.1 | 0 | 0 | 0 | 112.6 | F178 A179 V192 R237 | F178-L194 HydrophobicContact CB-CB 4.4Å; F178-L194 WeakPolarHBondContact CB-O 3.38Å; A179-L194 HydrophobicContact CB-CB 4.32Å; A179-L194 HydrophobicContact CB-CD1 3.44Å; A179-L194 VanDerWaalsContact CB-CD1 3.44Å; A179-L194 HydrophobicContact CB-CG 4.47Å; V192-L194 HydrophobicContact CG1-CD2 4.38Å; V192-L194 PolarHBondContact O-N 3.42Å; L194-R237 HydrophobicContact CD2-CB 4.09Å; L194-R237 HydrophobicContact CD2-CG 4.23Å | ||
| 195 | I | 85.1 | Confident | 72.3 | Confident | 14 Ų | 14 | 78.2 Ų | 78.2 | 7% | 0.072 | 41% | 0.408 | C | S | . | . | trans | -59.4 | 135.1 | -178.5 | -53.1 | -167.7 | 0 | 0 | 0 | 111.1 | L174 F178 V193 W199 F203 I236 L240 | L174-I195 HydrophobicContact CD2-CD1 4.34Å; F178-I195 HydrophobicContact CD2-CG1 4.29Å; F178-I195 HydrophobicContact CE2-CG1 3.94Å; F178-I195 HydrophobicContact CZ-CG1 4.22Å; V193-I195 HydrophobicContact CG1-CD1 4.15Å; V193-I195 HydrophobicContact CG1-CG1 3.55Å; V193-I195 PolarHBondContact O-N 3.48Å; I195-W199 HydrophobicContact CG2-CB 3.38Å; I195-W199 HydrophobicContact CG2-CD2 3.62Å; I195-W199 HydrophobicContact CG2-CE3 3.8Å; I195-W199 HydrophobicContact CG2-CG 3.47Å; I195-W199 VanDerWaalsContact CG2-CG 3.47Å; I195-F203 HydrophobicContact CD1-CD2 4.44Å; I195-F203 HydrophobicContact CD1-CE2 3.53Å; I195-F203 HydrophobicContact CD1-CZ 3.61Å; I195-F203 HydrophobicContact CG2-CE2 4.24Å; I195-I236 HydrophobicContact CD1-CD1 3.63Å; I195-I236 HydrophobicContact CD1-CG1 3.62Å; I195-I236 HydrophobicContact CD1-CG2 4.5Å; I195-I236 HydrophobicContact CG1-CG1 4.24Å; I195-L240 HydrophobicContact CB-CD2 4.48Å | ||
| 196 | P | 84 | Confident | 74.6 | Confident | 25 Ų | 25 | 72.4 Ų | 72.4 | 16% | 0.162 | 38% | 0.376 | C | S | . | . | trans | -56.5 | 150.5 | 173.9 | -26.4 | 34 | 0 | 0 | 0 | 113.6 | R127 F178 S198 W199 | R127-P196 HydrophobicContact CG-CG 4.27Å; F178-P196 HydrophobicContact CD1-CG 3.99Å; P196-S198 PolarHBondContact O-N 3.1Å; P196-W199 WeakPolarHBondContact O-CB 3.33Å; P196-W199 PolarHBondContact O-N 2.77Å; P196-W199 VanDerWaalsContact O-N 3.09Å | ||
| 197 | S | 82.8 | Confident | 76.9 | Confident | 98 Ų | 98 | 67.3 Ų | 67.3 | 69% | 0.685 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -61.5 | -25.4 | 178 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | W199 R200 | S197-W199 PolarHBondContact O-N 3.2Å; S197-R200 WeakPolarHBondContact O-CB 3.49Å; S197-R200 PolarHBondContact O-N 3.46Å; S197-R200 VanDerWaalsContact O-N 3.13Å |
| 198 | S | 84.5 | Confident | 79.3 | Confident | 69 Ų | 69 | 56.6 Ų | 56.6 | 48% | 0.483 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -63.1 | -20.1 | 175.6 | 51 | 0 | 0 | 0 | 0 | 113.6 | P196 | P196-S198 PolarHBondContact O-N 3.1Š|
| 199 | W | 89 | Confident | 81.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -88.5 | -6.2 | 178.1 | -67.5 | 45.1 | 0 | 0 | 0 | 113 | L131 L132 Y135 F178 I195 P196 S197 D201 V202 F203 | L131-W199 HydrophobicContact CB-CZ2 4.03Å; L131-W199 HydrophobicContact CD2-CH2 4.13Å; L131-W199 HydrophobicContact CD2-CZ2 3.87Å; L131-W199 HydrophobicContact CG-CH2 3.82Å; L131-W199 HydrophobicContact CG-CZ2 3.66Å; L132-W199 VanDerWaalsContact CA-CZ2 3.47Å; L132-W199 HydrophobicContact CB-CD2 4.38Å; L132-W199 HydrophobicContact CB-CZ2 3.97Å; L132-W199 HydrophobicContact CD1-CB 4.27Å; L132-W199 HydrophobicContact CD1-CD2 3.63Å; L132-W199 HydrophobicContact CD1-CE3 4.06Å; L132-W199 HydrophobicContact CD1-CG 3.72Å; L132-W199 HydrophobicContact CD1-CZ2 4.5Å; L132-W199 HydrophobicContact CG-CG 4.5Å; Y135-W199 AromaticContact CD1-CE3 3.94Å; Y135-W199 HydrophobicContact CD1-CE3 3.94Å; Y135-W199 HydrophobicContact CD1-CH2 4.41Å; Y135-W199 AromaticContact CD1-CZ3 3.54Å; Y135-W199 HydrophobicContact CD1-CZ3 3.54Å; Y135-W199 HydrophobicContact CD2-CZ3 4.39Å; Y135-W199 HydrophobicContact CE1-CE3 4.43Å; Y135-W199 HydrophobicContact CE1-CZ3 4.21Å; Y135-W199 HydrophobicContact CG-CE3 4.48Å; Y135-W199 HydrophobicContact CG-CH2 4.17Å; Y135-W199 AromaticContact CG-CZ3 3.65Å; Y135-W199 HydrophobicContact CG-CZ3 3.65Å; F178-W199 HydrophobicContact CE1-CH2 4.01Å; F178-W199 AromaticContact CE1-CZ2 3.82Å; F178-W199 HydrophobicContact CE1-CZ2 3.82Å; F178-W199 HydrophobicContact CE1-CZ3 4.49Å; F178-W199 HydrophobicContact CZ-CH2 4.01Å; F178-W199 HydrophobicContact CZ-CZ2 4.3Å; F178-W199 HydrophobicContact CZ-CZ3 4.23Å; I195-W199 HydrophobicContact CG2-CB 3.38Å; I195-W199 HydrophobicContact CG2-CD2 3.62Å; I195-W199 HydrophobicContact CG2-CE3 3.8Å; I195-W199 HydrophobicContact CG2-CG 3.47Å; I195-W199 VanDerWaalsContact CG2-CG 3.47Å; P196-W199 WeakPolarHBondContact O-CB 3.33Å; P196-W199 PolarHBondContact O-N 2.77Å; P196-W199 VanDerWaalsContact O-N 3.09Å; S197-W199 PolarHBondContact O-N 3.2Å; W199-D201 PolarHBondContact O-N 2.86Å; W199-D201 VanDerWaalsContact O-N 3.11Å; W199-V202 WeakPolarHBondContact O-CB 3.29Å; W199-V202 PolarHBondContact O-N 3.15Å; W199-F203 HydrophobicContact CB-CE2 4.25Å; W199-F203 AromaticContact CE3-CE2 4Å; W199-F203 HydrophobicContact CE3-CE2 4Å; W199-F203 HydrophobicContact CE3-CZ 4.4Å |
| 200 | R | 87 | Confident | 83.8 | Confident | 78 Ų | 78 | 51 Ų | 51 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -51.1 | -41.5 | -172.8 | -173.5 | -177.9 | -166.2 | 130.9 | 3.1 | 112.2 | S197 V202 F203 F204 L240 | S197-R200 WeakPolarHBondContact O-CB 3.49Å; S197-R200 PolarHBondContact O-N 3.46Å; S197-R200 VanDerWaalsContact O-N 3.13Å; R200-V202 VanDerWaalsContact C-N 3.26Å; R200-V202 PolarHBondContact O-N 3.27Å; R200-F203 PolarHBondContact O-N 3.19Å; R200-F204 HydrophobicContact CG-CD2 4.39Å; R200-F204 WeakPolarHBondContact O-CB 3.39Å; R200-F204 PolarHBondContact O-N 2.89Å; R200-L240 HydrophobicContact CB-CD1 4.17Å; R200-L240 HydrophobicContact CG-CD1 4.5Å; R200-L240 PolarHBondContact NE-O 2.94Å; R200-L240 PolarHBondContact NH1-O 3.33Å; R200-L240 PolarHBondContact NH2-O 2.97Å |
| 201 | D | 87.3 | Confident | 85.7 | Confident | 135 Ų | 135 | 48.4 Ų | 48.4 | 72% | 0.722 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.8 | -31.7 | -177.5 | -63.6 | -22.6 | 0 | 0 | 0 | 113 | W199 F203 | W199-D201 PolarHBondContact O-N 2.86Å; W199-D201 VanDerWaalsContact O-N 3.11Å; D201-F203 VanDerWaalsContact C-N 3.34Å; D201-F203 PolarHBondContact O-N 2.88Å |
| 202 | V | 88 | Confident | 87 | Confident | 27 Ų | 27 | 43.3 Ų | 43.3 | 16% | 0.164 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.4 | -34.1 | 179.4 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | L132 Y135 W199 R200 V208 | L132-V202 HydrophobicContact CD1-CG2 3.83Å; Y135-V202 HydrophobicContact CD1-CG1 4.14Å; Y135-V202 HydrophobicContact CE1-CG1 3.71Å; W199-V202 WeakPolarHBondContact O-CB 3.29Å; W199-V202 PolarHBondContact O-N 3.15Å; R200-V202 VanDerWaalsContact C-N 3.26Å; R200-V202 PolarHBondContact O-N 3.27Å; V202-V208 HydrophobicContact CG1-CG2 4.19Å |
| 203 | F | 87.9 | Confident | 87.7 | Confident | 6 Ų | 6 | 41.4 Ų | 41.4 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -96 | -10.3 | -179.1 | -60.3 | -77.1 | 0 | 0 | 0 | 113.3 | Y135 L174 I195 W199 R200 D201 S205 F206 V208 V233 I236 F241 | Y135-F203 HydrophobicContact CE1-CE1 4.24Å; Y135-F203 HydrophobicContact CE1-CE2 4.44Å; Y135-F203 AromaticContact CE1-CZ 3.76Å; Y135-F203 HydrophobicContact CE1-CZ 3.76Å; L174-F203 HydrophobicContact CD2-CE1 4.25Å; L174-F203 HydrophobicContact CD2-CZ 3.83Å; I195-F203 HydrophobicContact CD1-CD2 4.44Å; I195-F203 HydrophobicContact CD1-CE2 3.53Å; I195-F203 HydrophobicContact CD1-CZ 3.61Å; I195-F203 HydrophobicContact CG2-CE2 4.24Å; W199-F203 HydrophobicContact CB-CE2 4.25Å; W199-F203 AromaticContact CE3-CE2 4Å; W199-F203 HydrophobicContact CE3-CE2 4Å; W199-F203 HydrophobicContact CE3-CZ 4.4Å; R200-F203 PolarHBondContact O-N 3.19Å; D201-F203 VanDerWaalsContact C-N 3.34Å; D201-F203 PolarHBondContact O-N 2.88Å; F203-S205 VanDerWaalsContact C-N 3.32Å; F203-S205 PolarHBondContact O-N 3.45Å; F203-F206 WeakPolarHBondContact O-CD1 3.44Å; F203-F206 PolarHBondContact O-N 2.83Å; F203-V208 HydrophobicContact CD1-CG1 4.48Å; F203-V208 HydrophobicContact CE1-CG1 4.24Å; F203-V233 HydrophobicContact CD1-CG1 4.43Å; F203-V233 HydrophobicContact CE1-CG2 4.16Å; F203-I236 HydrophobicContact CD1-CD1 3.73Å; F203-I236 HydrophobicContact CD2-CD1 4.3Å; F203-I236 HydrophobicContact CE1-CD1 3.67Å; F203-I236 HydrophobicContact CE2-CD1 4.23Å; F203-I236 HydrophobicContact CG-CD1 4.06Å; F203-I236 HydrophobicContact CZ-CD1 3.93Å; F203-F241 HydrophobicContact CB-CE1 3.94Å; F203-F241 HydrophobicContact CB-CZ 3.78Å |
| 204 | F | 84.9 | Confident | 88.2 | Confident | 75 Ų | 75 | 43 Ų | 43 | 33% | 0.329 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.3 | -27.9 | -172.9 | -158.9 | -99.6 | 0 | 0 | 0 | 114.1 | R200 K245 | R200-F204 HydrophobicContact CG-CD2 4.39Å; R200-F204 WeakPolarHBondContact O-CB 3.39Å; R200-F204 PolarHBondContact O-N 2.89Å; F204-K245 HydrophobicContact CD1-CD 4.49Å; F204-K245 HydrophobicContact CD2-CD 4.26Å; F204-K245 HydrophobicContact CD2-CG 4.43Å; F204-K245 HydrophobicContact CE1-CD 4.09Å; F204-K245 VanDerWaalsContact CE1-CE 3.46Å; F204-K245 HydrophobicContact CE2-CD 3.82Å; F204-K245 HydrophobicContact CE2-CG 3.69Å; F204-K245 HydrophobicContact CZ-CD 3.74Å; F204-K245 VanDerWaalsContact CZ-CE 3.41Å; F204-K245 HydrophobicContact CZ-CG 3.84Å |
| 205 | S | 82.9 | Confident | 88.7 | Confident | 59 Ų | 59 | 39.8 Ų | 39.8 | 41% | 0.413 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -10.9 | 176.8 | 65.1 | 0 | 0 | 0 | 0 | 113.7 | F203 D207 | F203-S205 VanDerWaalsContact C-N 3.32Å; F203-S205 PolarHBondContact O-N 3.45Å; S205-D207 VanDerWaalsContact CB-OD2 3.29Å; S205-D207 WeakPolarHBondContact CB-OD2 3.3Å; S205-D207 PolarHBondContact O-N 3.36Å; S205-D207 PolarHBondContact OG-N 3.5Å; S205-D207 PolarHBondContact OG-OD2 3.45Å |
| 206 | F | 86.7 | Confident | 89 | Confident | 15 Ų | 15 | 39.1 Ų | 39.1 | 7% | 0.066 | 22% | 0.216 | C | C | . | . | trans | 58.6 | 5.7 | -172.8 | -45.3 | -51.7 | 0 | 0 | 0 | 115.1 | F203 V208 I209 K210 F241 K245 E248 M249 E252 | F203-F206 WeakPolarHBondContact O-CD1 3.44Å; F203-F206 PolarHBondContact O-N 2.83Å; F206-V208 PolarHBondContact O-N 3.22Å; F206-V208 VanDerWaalsContact O-N 3.11Å; F206-I209 HydrophobicContact CB-CD1 4.24Å; F206-I209 HydrophobicContact CD1-CD1 4.44Å; F206-I209 WeakPolarHBondContact O-CB 2.96Å; F206-I209 PolarHBondContact O-N 2.86Å; F206-K210 PolarHBondContact O-N 2.87Å; F206-F241 HydrophobicContact CE1-CE1 4.5Å; F206-K245 HydrophobicContact CE2-CD 4.17Å; F206-K245 HydrophobicContact CZ-CB 4.3Å; F206-K245 HydrophobicContact CZ-CD 3.79Å; F206-K245 VanDerWaalsContact CZ-O 3.28Å; F206-K245 WeakPolarHBondContact CZ-O 3.31Å; F206-E248 HydrophobicContact CD2-CB 4.44Å; F206-E248 HydrophobicContact CE2-CB 3.52Å; F206-E248 HydrophobicContact CZ-CB 4Å; F206-M249 HydrophobicContact CD1-CB 3.92Å; F206-M249 HydrophobicContact CD1-CG 4.01Å; F206-M249 HydrophobicContact CE1-CB 3.47Å; F206-M249 VanDerWaalsContact CE1-CB 3.47Å; F206-M249 HydrophobicContact CE1-CG 3.95Å; F206-M249 HydrophobicContact CZ-CB 3.94Å; F206-E252 HydrophobicContact CB-CG 4.33Å | ||
| 207 | D | 88.2 | Confident | 89.4 | Confident | 67 Ų | 67 | 39.2 Ų | 39.2 | 36% | 0.358 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.2 | -31.1 | 178.4 | -64.1 | -32.7 | 0 | 0 | 0 | 112 | S205 I209 K210 L211 | S205-D207 VanDerWaalsContact CB-OD2 3.29Å; S205-D207 WeakPolarHBondContact CB-OD2 3.3Å; S205-D207 PolarHBondContact O-N 3.36Å; S205-D207 PolarHBondContact OG-N 3.5Å; S205-D207 PolarHBondContact OG-OD2 3.45Å; D207-I209 VanDerWaalsContact C-N 3.28Å; D207-I209 PolarHBondContact O-N 3.42Å; D207-K210 PolarHBondContact O-N 3.19Å; D207-L211 WeakPolarHBondContact O-CB 2.86Å; D207-L211 PolarHBondContact O-N 2.9Å |
| 208 | V | 91.6 | Very high | 89.6 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.6 | -36.2 | 177.4 | 177.7 | 0 | 0 | 0 | 0 | 111.7 | Y135 I139 V202 F203 F206 L211 Y212 V233 | Y135-V208 WeakPolarHBondContact OH-CG1 3.27Å; I139-V208 HydrophobicContact CD1-CG1 4.2Å; I139-V208 HydrophobicContact CD1-CG2 4.19Å; V202-V208 HydrophobicContact CG1-CG2 4.19Å; F203-V208 HydrophobicContact CD1-CG1 4.48Å; F203-V208 HydrophobicContact CE1-CG1 4.24Å; F206-V208 PolarHBondContact O-N 3.22Å; F206-V208 VanDerWaalsContact O-N 3.11Å; V208-L211 WeakPolarHBondContact O-CB 3.35Å; V208-L211 PolarHBondContact O-N 3.17Å; V208-Y212 HydrophobicContact CG1-CD2 3.83Å; V208-Y212 HydrophobicContact CG1-CE2 3.18Å; V208-Y212 WeakPolarHBondContact O-CD2 3.41Å; V208-Y212 PolarHBondContact O-N 3.45Å; V208-Y212 VanDerWaalsContact O-N 3.13Å; V208-V233 HydrophobicContact CG1-CG2 4.19Å |
| 209 | I | 92.8 | Very high | 89.8 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.7 | -50.9 | 177.3 | -61.1 | 171.4 | 0 | 0 | 0 | 109.1 | F206 D207 L211 Y212 H213 L230 V233 M249 E252 M253 | F206-I209 HydrophobicContact CB-CD1 4.24Å; F206-I209 HydrophobicContact CD1-CD1 4.44Å; F206-I209 WeakPolarHBondContact O-CB 2.96Å; F206-I209 PolarHBondContact O-N 2.86Å; D207-I209 VanDerWaalsContact C-N 3.28Å; D207-I209 PolarHBondContact O-N 3.42Å; I209-L211 PolarHBondContact O-N 3.17Å; I209-Y212 PolarHBondContact O-N 3.08Å; I209-H213 WeakPolarHBondContact O-CB 3.46Å; I209-H213 PolarHBondContact O-N 3.08Å; I209-L230 HydrophobicContact CG2-CD2 4.14Å; I209-V233 HydrophobicContact CD1-CG1 4.47Å; I209-V233 HydrophobicContact CG1-CG1 3.96Å; I209-M249 HydrophobicContact CD1-CG 3.88Å; I209-E252 HydrophobicContact CB-CG 4.38Å; I209-E252 HydrophobicContact CD1-CG 4.49Å; I209-E252 HydrophobicContact CG2-CG 4.15Å; I209-M253 HydrophobicContact CD1-CE 3.72Å; I209-M253 HydrophobicContact CD1-CG 3.92Å; I209-M253 HydrophobicContact CD1-SD 3.98Å; I209-M253 HydrophobicContact CG1-CE 3.7Å; I209-M253 HydrophobicContact CG1-SD 4.1Å; I209-M253 HydrophobicContact CG2-CE 4.34Å; I209-M253 HydrophobicContact CG2-CG 4.5Å; I209-M253 HydrophobicContact CG2-SD 3.66Å |
| 210 | K | 92.6 | Very high | 89.5 | Confident | 95 Ų | 95 | 39.6 Ų | 39.6 | 41% | 0.413 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57.4 | -40.2 | 176.2 | -67.3 | 179 | 179.9 | 169.9 | 0 | 111.6 | F206 D207 H213 T214 E252 | F206-K210 PolarHBondContact O-N 2.87Å; D207-K210 PolarHBondContact O-N 3.19Å; K210-H213 PolarHBondContact O-N 3.36Å; K210-T214 VanDerWaalsContact O-CB 3.26Å; K210-T214 WeakPolarHBondContact O-CB 3.5Å; K210-T214 PolarHBondContact O-N 3.26Å; K210-T214 PolarHBondContact O-OG1 2.69Å; K210-E252 WeakPolarHBondContact CE-OE1 3.15Å; K210-E252 WeakPolarHBondContact CE-OE2 3.04Å; K210-E252 IonicContact NZ-OE1 3.69Å; K210-E252 IonicContact NZ-OE2 2.79Å; K210-E252 PolarHBondContact NZ-OE2 3.26Å |
| 211 | L | 93.5 | Very high | 89.4 | Confident | 9 Ų | 9 | 38.4 Ų | 38.4 | 5% | 0.047 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.7 | -56.5 | 179.3 | 179.7 | 63.3 | 0 | 0 | 0 | 111.6 | I139 L142 K143 A146 D207 V208 I209 H213 T214 I215 | I139-L211 HydrophobicContact CD1-CD2 3.94Å; I139-L211 HydrophobicContact CG2-CD2 4.15Å; L142-L211 HydrophobicContact CB-CD1 4.1Å; L142-L211 HydrophobicContact CB-CD2 3.82Å; L142-L211 HydrophobicContact CB-CG 4.15Å; L142-L211 HydrophobicContact CD1-CD2 4.49Å; K143-L211 HydrophobicContact CG-CD1 4.17Å; K143-L211 HydrophobicContact CG-CD2 4.16Å; A146-L211 HydrophobicContact CB-CD1 3.34Å; D207-L211 WeakPolarHBondContact O-CB 2.86Å; D207-L211 PolarHBondContact O-N 2.9Å; V208-L211 WeakPolarHBondContact O-CB 3.35Å; V208-L211 PolarHBondContact O-N 3.17Å; I209-L211 PolarHBondContact O-N 3.17Å; L211-H213 VanDerWaalsContact C-N 3.35Å; L211-H213 PolarHBondContact O-N 2.85Å; L211-T214 PolarHBondContact O-N 2.8Å; L211-I215 HydrophobicContact CD1-CD1 4.22Å; L211-I215 HydrophobicContact CG-CD1 4.33Å; L211-I215 VanDerWaalsContact O-CG1 3.3Å; L211-I215 WeakPolarHBondContact O-CG1 3.29Å; L211-I215 PolarHBondContact O-N 3.11Å; L211-I215 VanDerWaalsContact O-N 3.1Å |
| 212 | Y | 95.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.6 | -37.5 | 178.9 | -61.1 | -47.8 | 0 | 0 | 0 | 112.3 | Y135 I139 L142 L167 S170 L174 V208 I209 I215 Y216 C229 L230 V233 | Y135-Y212 PolarHBondContact OH-OH 3.21Å; Y135-Y212 VanDerWaalsContact OH-OH 3.04Å; I139-Y212 VanDerWaalsContact CD1-OH 3.25Å; I139-Y212 WeakPolarHBondContact CD1-OH 3.23Å; L142-Y212 HydrophobicContact CD1-CD1 4.36Å; L142-Y212 HydrophobicContact CD1-CE1 3.64Å; L167-Y212 HydrophobicContact CD2-CD1 4.18Å; L167-Y212 HydrophobicContact CD2-CE1 4.31Å; S170-Y212 PolarHBondContact OG-OH 3.42Å; L174-Y212 HydrophobicContact CD1-CE2 4.27Å; V208-Y212 HydrophobicContact CG1-CD2 3.83Å; V208-Y212 HydrophobicContact CG1-CE2 3.18Å; V208-Y212 WeakPolarHBondContact O-CD2 3.41Å; V208-Y212 PolarHBondContact O-N 3.45Å; V208-Y212 VanDerWaalsContact O-N 3.13Å; I209-Y212 PolarHBondContact O-N 3.08Å; Y212-I215 PolarHBondContact O-N 3.46Å; Y212-Y216 WeakPolarHBondContact O-CB 3.39Å; Y212-Y216 PolarHBondContact O-N 3.41Å; Y212-C229 HydrophobicContact CD1-CB 3.77Å; Y212-C229 HydrophobicContact CD2-CB 3.77Å; Y212-C229 HydrophobicContact CE1-CB 3.74Å; Y212-C229 HydrophobicContact CE2-CB 3.71Å; Y212-C229 HydrophobicContact CG-CB 3.83Å; Y212-L230 HydrophobicContact CD2-CD2 4.3Å; Y212-V233 HydrophobicContact CD2-CG2 4.31Å; Y212-V233 HydrophobicContact CE2-CG2 3.92Å |
| 213 | H | 93.8 | Very high | 89.6 | Confident | 12 Ų | 12 | 32.5 Ų | 32.5 | 6% | 0.056 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.2 | -48.8 | 175.5 | 175 | -95.3 | 0 | 0 | 0 | 111.8 | I209 K210 L211 I215 Y216 M217 S256 E259 | I209-H213 WeakPolarHBondContact O-CB 3.46Å; I209-H213 PolarHBondContact O-N 3.08Å; K210-H213 PolarHBondContact O-N 3.36Å; L211-H213 VanDerWaalsContact C-N 3.35Å; L211-H213 PolarHBondContact O-N 2.85Å; H213-I215 VanDerWaalsContact C-N 3.32Å; H213-I215 PolarHBondContact O-N 3.43Å; H213-Y216 WeakPolarHBondContact O-CB 3.45Å; H213-Y216 PolarHBondContact O-N 2.91Å; H213-M217 WeakPolarHBondContact O-CB 3.44Å; H213-M217 VanDerWaalsContact O-CG 3.27Å; H213-M217 WeakPolarHBondContact O-CG 2.97Å; H213-M217 PolarHBondContact O-N 2.94Å; H213-S256 PolarHBondContact NE2-O 2.94Å; H213-E259 VanDerWaalsContact CE1-CD 3.43Å; H213-E259 IonicContact CE1-OE1 3.62Å; H213-E259 IonicContact CE1-OE2 3.52Å; H213-E259 PolarHBondContact CE1-OE2 3.37Å; H213-E259 IonicContact NE2-OE2 2.72Å |
| 214 | T | 92.5 | Very high | 89.8 | Confident | 43 Ų | 43 | 36.5 Ų | 36.5 | 26% | 0.264 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.1 | -42.9 | 177.7 | -68.9 | 0 | 0 | 0 | 0 | 111.3 | V149 K210 L211 M217 H218 | V149-T214 HydrophobicContact CG2-CG2 4Å; K210-T214 VanDerWaalsContact O-CB 3.26Å; K210-T214 WeakPolarHBondContact O-CB 3.5Å; K210-T214 PolarHBondContact O-N 3.26Å; K210-T214 PolarHBondContact O-OG1 2.69Å; L211-T214 PolarHBondContact O-N 2.8Å; T214-M217 PolarHBondContact O-N 2.98Å; T214-H218 PolarHBondContact O-N 3.33Å; T214-H218 VanDerWaalsContact O-N 3.13Å; T214-H218 PolarHBondContact O-ND1 3.45Å |
| 215 | I | 91.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.5 | -47.1 | 176.7 | -68.3 | 168 | 0 | 0 | 0 | 110.9 | L142 L167 L211 Y212 H213 M217 H218 I219 V222 A226 | L142-I215 HydrophobicContact CB-CD1 4.16Å; L142-I215 HydrophobicContact CD2-CD1 3.91Å; L142-I215 HydrophobicContact CG-CD1 4.42Å; L167-I215 HydrophobicContact CD1-CG2 4.14Å; L167-I215 HydrophobicContact CD2-CD1 4.44Å; L211-I215 HydrophobicContact CD1-CD1 4.22Å; L211-I215 HydrophobicContact CG-CD1 4.33Å; L211-I215 VanDerWaalsContact O-CG1 3.3Å; L211-I215 WeakPolarHBondContact O-CG1 3.29Å; L211-I215 PolarHBondContact O-N 3.11Å; L211-I215 VanDerWaalsContact O-N 3.1Å; Y212-I215 PolarHBondContact O-N 3.46Å; H213-I215 VanDerWaalsContact C-N 3.32Å; H213-I215 PolarHBondContact O-N 3.43Å; I215-M217 VanDerWaalsContact C-N 3.3Å; I215-M217 PolarHBondContact O-N 2.78Å; I215-H218 PolarHBondContact O-N 2.86Å; I215-I219 HydrophobicContact CG2-CD1 4.48Å; I215-I219 WeakPolarHBondContact O-CB 3.49Å; I215-I219 PolarHBondContact O-N 3.34Å; I215-V222 HydrophobicContact CG2-CG2 3.67Å; I215-A226 HydrophobicContact CG2-CB 4.18Å |
| 216 | Y | 92.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57 | -43.2 | 176.5 | 170.4 | -89.4 | 0 | 0 | 0 | 112.5 | Y212 H213 E223 L227 M260 R265 P267 | Y212-Y216 WeakPolarHBondContact O-CB 3.39Å; Y212-Y216 PolarHBondContact O-N 3.41Å; H213-Y216 WeakPolarHBondContact O-CB 3.45Å; H213-Y216 PolarHBondContact O-N 2.91Å; Y216-E223 HydrophobicContact CD2-CB 3.82Å; Y216-E223 HydrophobicContact CE2-CB 3.88Å; Y216-L227 HydrophobicContact CD2-CB 4.36Å; Y216-L227 HydrophobicContact CE2-CD2 4.47Å; Y216-M260 HydrophobicContact CD1-CE 3.82Å; Y216-M260 HydrophobicContact CD1-CG 3.94Å; Y216-M260 HydrophobicContact CD1-SD 4.13Å; Y216-M260 HydrophobicContact CE1-CB 4.29Å; Y216-M260 HydrophobicContact CE1-CE 4.27Å; Y216-M260 HydrophobicContact CE1-CG 3.68Å; Y216-M260 HydrophobicContact CE1-SD 3.95Å; Y216-M260 HydrophobicContact CG-CE 4.14Å; Y216-R265 HydrophobicContact CE1-CB 4.24Å; Y216-R265 PolarHBondContact O-NH2 3.45Å; Y216-R265 VanDerWaalsContact O-NH2 3.15Å; Y216-R265 PolarHBondContact OH-O 3.23Å; Y216-P267 WeakPolarHBondContact OH-CG 3.46Å |
| 217 | M | 90.5 | Very high | 91.1 | Very high | 26 Ų | 26 | 31 Ų | 31 | 13% | 0.128 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.5 | -37.2 | -176 | -74 | -66.6 | -78.2 | 0 | 0 | 112.9 | H213 T214 I215 E259 M260 S263 R265 | H213-M217 WeakPolarHBondContact O-CB 3.44Å; H213-M217 VanDerWaalsContact O-CG 3.27Å; H213-M217 WeakPolarHBondContact O-CG 2.97Å; H213-M217 PolarHBondContact O-N 2.94Å; T214-M217 PolarHBondContact O-N 2.98Å; I215-M217 VanDerWaalsContact C-N 3.3Å; I215-M217 PolarHBondContact O-N 2.78Å; M217-E259 HydrophobicContact CE-CG 4.07Å; M217-M260 HydrophobicContact SD-CG 4.41Å; M217-S263 WeakPolarHBondContact CE-OG 3.11Å; M217-R265 PolarHBondContact O-NE 3.38Å; M217-R265 HydrophobicContact SD-CB 3.8Å; M217-R265 HydrophobicContact SD-CG 4.14Å |
| 218 | H | 88.3 | Confident | 91.4 | Very high | 106 Ų | 106 | 28.7 Ų | 28.7 | 49% | 0.491 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -105.3 | -22.3 | -170.7 | -61.3 | 83.8 | 0 | 0 | 0 | 114.5 | V149 T214 I215 P220 | V149-H218 HydrophobicContact CG1-CB 3.11Å; T214-H218 PolarHBondContact O-N 3.33Å; T214-H218 VanDerWaalsContact O-N 3.13Å; T214-H218 PolarHBondContact O-ND1 3.45Å; I215-H218 PolarHBondContact O-N 2.86Å; H218-P220 WeakPolarHBondContact O-CD 3.31Å |
| 219 | I | 87.6 | Confident | 91.5 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.015 | 15% | 0.146 | C | C | . | . | trans | -118.7 | 89.4 | -175.5 | -49.8 | -179.2 | 0 | 0 | 0 | 109.6 | V145 F152 L163 I215 V221 V222 | V145-I219 HydrophobicContact CG1-CD1 4Å; F152-I219 HydrophobicContact CD1-CD1 3.86Å; F152-I219 HydrophobicContact CE1-CD1 4.16Å; F152-I219 HydrophobicContact CG-CD1 4.23Å; L163-I219 HydrophobicContact CD2-CD1 3.63Å; L163-I219 HydrophobicContact CD2-CG2 4.02Å; I215-I219 HydrophobicContact CG2-CD1 4.48Å; I215-I219 WeakPolarHBondContact O-CB 3.49Å; I215-I219 PolarHBondContact O-N 3.34Å; I219-V221 PolarHBondContact O-N 2.59Å; I219-V221 VanDerWaalsContact O-N 3.13Å; I219-V222 HydrophobicContact CB-CG2 3.97Å; I219-V222 HydrophobicContact CG2-CG2 3.76Å; I219-V222 PolarHBondContact O-N 3.18Å | ||
| 220 | P | 82.6 | Confident | 91.7 | Very high | 67 Ų | 67 | 28.3 Ų | 28.3 | 44% | 0.435 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -67.5 | -16.4 | -172.1 | 27 | -36.1 | 0 | 0 | 0 | 114.8 | H218 V222 E223 | H218-P220 WeakPolarHBondContact O-CD 3.31Å; P220-V222 VanDerWaalsContact C-N 3.33Å; P220-E223 VanDerWaalsContact O-CG 3.28Å; P220-E223 WeakPolarHBondContact O-CG 3.15Å |
| 221 | V | 85.7 | Confident | 91.7 | Very high | 52 Ų | 52 | 23.8 Ų | 23.8 | 32% | 0.315 | 13% | 0.126 | S | C | . | . | G | 310 helix | trans | -71.4 | -28 | -179.2 | 162.6 | 0 | 0 | 0 | 0 | 113 | V154 R160 I219 | V154-V221 HydrophobicContact CG1-CG2 3.8Å; R160-V221 HydrophobicContact CG-CG1 4.09Å; I219-V221 PolarHBondContact O-N 2.59Å; I219-V221 VanDerWaalsContact O-N 3.13Å |
| 222 | V | 88.4 | Confident | 91.7 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.024 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -116.4 | 17.5 | -170.6 | -58.6 | 0 | 0 | 0 | 0 | 112.6 | L163 V164 L167 I215 I219 P220 E224 L225 A226 | L163-V222 HydrophobicContact CD2-CG1 4.14Å; L163-V222 HydrophobicContact CD2-CG2 4.03Å; L163-V222 HydrophobicContact CG-CG1 4.24Å; L163-V222 HydrophobicContact CG-CG2 4.48Å; V164-V222 HydrophobicContact CG2-CG1 3.72Å; L167-V222 HydrophobicContact CD1-CB 3.54Å; L167-V222 HydrophobicContact CD1-CG1 4.2Å; L167-V222 HydrophobicContact CD1-CG2 3.56Å; I215-V222 HydrophobicContact CG2-CG2 3.67Å; I219-V222 HydrophobicContact CB-CG2 3.97Å; I219-V222 HydrophobicContact CG2-CG2 3.76Å; I219-V222 PolarHBondContact O-N 3.18Å; P220-V222 VanDerWaalsContact C-N 3.33Å; V222-E224 VanDerWaalsContact C-N 3.29Å; V222-E224 PolarHBondContact O-N 3.24Å; V222-L225 PolarHBondContact O-N 3.09Å; V222-A226 PolarHBondContact O-N 3.09Å |
| 223 | E | 90.6 | Very high | 91.6 | Very high | 35 Ų | 35 | 25.1 Ų | 25.1 | 16% | 0.164 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.7 | -39 | -174.9 | 54.2 | -179.8 | -148.2 | 0 | 0 | 113 | Y216 P220 L227 R265 T272 | Y216-E223 HydrophobicContact CD2-CB 3.82Å; Y216-E223 HydrophobicContact CE2-CB 3.88Å; P220-E223 VanDerWaalsContact O-CG 3.28Å; P220-E223 WeakPolarHBondContact O-CG 3.15Å; E223-L227 WeakPolarHBondContact O-CB 3.47Å; E223-L227 PolarHBondContact O-N 3.44Å; E223-R265 IonicContact OE2-CZ 3.47Å; E223-R265 IonicContact OE2-NH1 2.68Å; E223-R265 PolarHBondContact OE2-NH1 3.37Å; E223-R265 IonicContact OE2-NH2 3.35Å; E223-R265 PolarHBondContact OE2-NH2 2.71Å; E223-T272 HydrophobicContact CB-CG2 4.11Å; E223-T272 HydrophobicContact CG-CG2 3.49Å; E223-T272 VanDerWaalsContact CG-CG2 3.49Å; E223-T272 VanDerWaalsContact OE1-CG2 3.22Å; E223-T272 WeakPolarHBondContact OE1-CG2 3.26Å |
| 224 | E | 91.9 | Very high | 91.5 | Very high | 89 Ų | 89 | 24.6 Ų | 24.6 | 42% | 0.416 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -61.4 | -50.4 | 178.3 | -169.8 | -163.1 | 139.8 | 0 | 0 | 111.9 | V222 L227 N228 H275 | V222-E224 VanDerWaalsContact C-N 3.29Å; V222-E224 PolarHBondContact O-N 3.24Å; E224-L227 PolarHBondContact O-N 3.21Å; E224-N228 WeakPolarHBondContact O-CB 3.49Å; E224-N228 PolarHBondContact O-N 3.22Å; E224-N228 PolarHBondContact O-ND2 2.77Å; E224-H275 IonicContact OE1-NE2 3.78Å |
| 225 | L | 93.3 | Very high | 91.4 | Very high | 34 Ų | 34 | 22.6 Ų | 22.6 | 18% | 0.178 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.3 | -40.4 | -178.8 | -68.9 | 173.2 | 0 | 0 | 0 | 111.9 | V164 L167 A168 L171 V222 L227 N228 C229 | V164-L225 HydrophobicContact CG1-CD1 3.96Å; L167-L225 HydrophobicContact CB-CB 3.86Å; L167-L225 HydrophobicContact CB-CD1 4.11Å; L167-L225 HydrophobicContact CD1-CB 4.24Å; A168-L225 HydrophobicContact CB-CD1 4.38Å; A168-L225 HydrophobicContact CB-CD2 4.47Å; L171-L225 HydrophobicContact CD2-CD2 3.97Å; V222-L225 PolarHBondContact O-N 3.09Å; L225-L227 VanDerWaalsContact C-N 3.34Å; L225-N228 PolarHBondContact O-N 3.17Å; L225-C229 PolarHBondContact O-N 3.21Å; L225-C229 PolarHBondContact O-SG 3.19Å |
| 226 | A | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.9 | -42.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I215 V222 C229 L230 | I215-A226 HydrophobicContact CG2-CB 4.18Å; V222-A226 PolarHBondContact O-N 3.09Å; A226-C229 WeakPolarHBondContact O-CB 3.15Å; A226-C229 PolarHBondContact O-N 3.35Å; A226-L230 PolarHBondContact O-N 3.3Å; A226-L230 VanDerWaalsContact O-N 3.09Å |
| 227 | L | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68 | -40.1 | 177.3 | -173 | 58.3 | 0 | 0 | 0 | 111.8 | Y216 E223 E224 L225 C229 L230 V231 T272 H275 F276 L279 | Y216-L227 HydrophobicContact CD2-CB 4.36Å; Y216-L227 HydrophobicContact CE2-CD2 4.47Å; E223-L227 WeakPolarHBondContact O-CB 3.47Å; E223-L227 PolarHBondContact O-N 3.44Å; E224-L227 PolarHBondContact O-N 3.21Å; L225-L227 VanDerWaalsContact C-N 3.34Å; L227-C229 VanDerWaalsContact C-N 3.32Å; L227-C229 PolarHBondContact O-N 3.33Å; L227-L230 CarbonylContact O-C 3.6Å; L227-L230 WeakPolarHBondContact O-CA 3.38Å; L227-L230 WeakPolarHBondContact O-CB 3.2Å; L227-L230 PolarHBondContact O-N 3.25Å; L227-L230 VanDerWaalsContact O-N 3.11Å; L227-V231 WeakPolarHBondContact O-CG2 3.49Å; L227-V231 PolarHBondContact O-N 3.24Å; L227-T272 WeakPolarHBondContact CD2-O 3.11Å; L227-H275 HydrophobicContact CD2-CB 3.78Å; L227-H275 HydrophobicContact CG-CB 3.96Å; L227-F276 HydrophobicContact CD1-CD2 4.29Å; L227-F276 HydrophobicContact CD2-CB 3.95Å; L227-L279 HydrophobicContact CD1-CD2 3.85Å |
| 228 | N | 94.1 | Very high | 90.4 | Very high | 18 Ų | 18 | 32.4 Ų | 32.4 | 10% | 0.096 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.5 | -38.5 | 173.4 | -86.7 | -39.1 | 0 | 0 | 0 | 112.5 | L171 E224 L225 L230 V231 Q232 H275 | L171-N228 HydrophobicContact CD1-CB 3.81Å; L171-N228 HydrophobicContact CD2-CB 3.74Å; L171-N228 HydrophobicContact CG-CB 4.44Å; E224-N228 WeakPolarHBondContact O-CB 3.49Å; E224-N228 PolarHBondContact O-N 3.22Å; E224-N228 PolarHBondContact O-ND2 2.77Å; L225-N228 PolarHBondContact O-N 3.17Å; N228-L230 VanDerWaalsContact C-N 3.34Å; N228-V231 WeakPolarHBondContact O-CB 3.33Å; N228-V231 PolarHBondContact O-N 3.34Å; N228-Q232 WeakPolarHBondContact O-CG 3.48Å; N228-Q232 PolarHBondContact O-N 3.16Å; N228-Q232 VanDerWaalsContact O-N 3.12Å; N228-H275 PolarHBondContact ND2-CD2 3.19Å; N228-H275 PolarHBondContact ND2-CE1 3.27Å; N228-H275 VanDerWaalsContact ND2-CE1 3.32Å; N228-H275 PolarHBondContact ND2-NE2 3.31Å; N228-H275 VanDerWaalsContact ND2-NE2 3.1Å; N228-H275 PolarHBondContact OD1-CE1 3.06Å; N228-H275 VanDerWaalsContact OD1-CG 3.25Å; N228-H275 PolarHBondContact OD1-ND1 3.2Å |
| 229 | C | 95.5 | Very high | 90 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.1 | -44.5 | 171.8 | -66.5 | 0 | 0 | 0 | 0 | 111.1 | L174 Y212 L225 A226 L227 V231 Q232 V233 | L174-C229 HydrophobicContact CD1-CB 4.21Å; Y212-C229 HydrophobicContact CD1-CB 3.77Å; Y212-C229 HydrophobicContact CD2-CB 3.77Å; Y212-C229 HydrophobicContact CE1-CB 3.74Å; Y212-C229 HydrophobicContact CE2-CB 3.71Å; Y212-C229 HydrophobicContact CG-CB 3.83Å; L225-C229 PolarHBondContact O-N 3.21Å; L225-C229 PolarHBondContact O-SG 3.19Å; A226-C229 WeakPolarHBondContact O-CB 3.15Å; A226-C229 PolarHBondContact O-N 3.35Å; L227-C229 VanDerWaalsContact C-N 3.32Å; L227-C229 PolarHBondContact O-N 3.33Å; C229-V231 VanDerWaalsContact C-N 3.34Å; C229-V231 PolarHBondContact O-N 3.37Å; C229-Q232 PolarHBondContact O-N 3.49Å; C229-V233 WeakPolarHBondContact O-CG2 3.1Å; C229-V233 PolarHBondContact O-N 3.36Å |
| 230 | L | 95.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.8 | -39.9 | 175.2 | -74.1 | 169.6 | 0 | 0 | 0 | 112.7 | I209 Y212 A226 L227 N228 Q232 V233 A234 M253 M260 L279 | I209-L230 HydrophobicContact CG2-CD2 4.14Å; Y212-L230 HydrophobicContact CD2-CD2 4.3Å; A226-L230 PolarHBondContact O-N 3.3Å; A226-L230 VanDerWaalsContact O-N 3.09Å; L227-L230 CarbonylContact O-C 3.6Å; L227-L230 WeakPolarHBondContact O-CA 3.38Å; L227-L230 WeakPolarHBondContact O-CB 3.2Å; L227-L230 PolarHBondContact O-N 3.25Å; L227-L230 VanDerWaalsContact O-N 3.11Å; N228-L230 VanDerWaalsContact C-N 3.34Å; L230-Q232 VanDerWaalsContact C-N 3.32Å; L230-Q232 PolarHBondContact O-N 2.97Å; L230-V233 PolarHBondContact O-N 3.4Å; L230-A234 WeakPolarHBondContact O-CB 3.49Å; L230-A234 PolarHBondContact O-N 3.22Å; L230-M253 HydrophobicContact CD2-SD 4.39Å; L230-M260 HydrophobicContact CD1-CE 3.39Å; L230-L279 HydrophobicContact CB-CD1 4.37Å |
| 231 | V | 94.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.9 | -46.5 | 174.6 | 171 | 0 | 0 | 0 | 0 | 110.8 | L227 N228 C229 A234 S235 H275 L278 L279 R282 | L227-V231 WeakPolarHBondContact O-CG2 3.49Å; L227-V231 PolarHBondContact O-N 3.24Å; N228-V231 WeakPolarHBondContact O-CB 3.33Å; N228-V231 PolarHBondContact O-N 3.34Å; C229-V231 VanDerWaalsContact C-N 3.34Å; C229-V231 PolarHBondContact O-N 3.37Å; V231-A234 PolarHBondContact O-N 3.39Å; V231-S235 WeakPolarHBondContact O-CB 3.23Å; V231-S235 PolarHBondContact O-N 3.38Å; V231-S235 VanDerWaalsContact O-N 3.08Å; V231-S235 PolarHBondContact O-OG 3.32Å; V231-H275 VanDerWaalsContact CG2-O 3.31Å; V231-H275 WeakPolarHBondContact CG2-O 3.45Å; V231-L278 HydrophobicContact CG1-CD2 3.82Å; V231-L278 HydrophobicContact CG1-CG 3.79Å; V231-L278 HydrophobicContact CG2-CG 4.5Å; V231-L279 HydrophobicContact CG2-CB 3.75Å; V231-L279 HydrophobicContact CG2-CD1 4.43Å; V231-R282 HydrophobicContact CG1-CG 4.25Å |
| 232 | Q | 92.8 | Very high | 89.8 | Confident | 35 Ų | 35 | 30 Ų | 30 | 16% | 0.164 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66 | -41.2 | 178.5 | -60.8 | -53.7 | -29.1 | 0 | 0 | 111.7 | L171 L174 N228 C229 L230 A234 S235 I236 | L171-Q232 HydrophobicContact CD1-CG 3.82Å; L174-Q232 HydrophobicContact CB-CB 3.69Å; L174-Q232 HydrophobicContact CB-CG 4.01Å; L174-Q232 HydrophobicContact CD1-CB 4.24Å; L174-Q232 HydrophobicContact CG-CB 4.48Å; N228-Q232 WeakPolarHBondContact O-CG 3.48Å; N228-Q232 PolarHBondContact O-N 3.16Å; N228-Q232 VanDerWaalsContact O-N 3.12Å; C229-Q232 PolarHBondContact O-N 3.49Å; L230-Q232 VanDerWaalsContact C-N 3.32Å; L230-Q232 PolarHBondContact O-N 2.97Å; Q232-A234 PolarHBondContact O-N 3.11Å; Q232-S235 WeakPolarHBondContact O-CB 3.43Å; Q232-S235 PolarHBondContact O-N 3.19Å; Q232-S235 VanDerWaalsContact O-N 3.12Å; Q232-I236 PolarHBondContact O-N 3.23Å |
| 233 | V | 92.5 | Very high | 89.6 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.4 | -40.8 | 176.8 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | L174 F203 V208 I209 Y212 C229 L230 S235 I236 M253 | L174-V233 HydrophobicContact CD1-CG2 4.08Å; F203-V233 HydrophobicContact CD1-CG1 4.43Å; F203-V233 HydrophobicContact CE1-CG2 4.16Å; V208-V233 HydrophobicContact CG1-CG2 4.19Å; I209-V233 HydrophobicContact CD1-CG1 4.47Å; I209-V233 HydrophobicContact CG1-CG1 3.96Å; Y212-V233 HydrophobicContact CD2-CG2 4.31Å; Y212-V233 HydrophobicContact CE2-CG2 3.92Å; C229-V233 WeakPolarHBondContact O-CG2 3.1Å; C229-V233 PolarHBondContact O-N 3.36Å; L230-V233 PolarHBondContact O-N 3.4Å; V233-S235 PolarHBondContact O-N 3.04Å; V233-I236 HydrophobicContact CB-CD1 4.35Å; V233-I236 HydrophobicContact CG1-CD1 4Å; V233-I236 WeakPolarHBondContact O-CB 3.49Å; V233-I236 WeakPolarHBondContact O-CD1 3.42Å; V233-I236 VanDerWaalsContact O-CG1 3.25Å; V233-I236 WeakPolarHBondContact O-CG1 3.34Å; V233-I236 PolarHBondContact O-N 3.05Å; V233-M253 HydrophobicContact CB-CE 3.84Å; V233-M253 HydrophobicContact CG1-CE 3.49Å; V233-M253 VanDerWaalsContact CG1-CE 3.49Å |
| 234 | A | 91.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.1 | -20.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L230 V231 Q232 M253 L279 L283 T286 | L230-A234 WeakPolarHBondContact O-CB 3.49Å; L230-A234 PolarHBondContact O-N 3.22Å; V231-A234 PolarHBondContact O-N 3.39Å; Q232-A234 PolarHBondContact O-N 3.11Å; A234-M253 HydrophobicContact CB-CE 3.98Å; A234-L279 HydrophobicContact CB-CD1 3.44Å; A234-L279 VanDerWaalsContact CB-CD1 3.44Å; A234-L283 HydrophobicContact CB-CB 4.39Å; A234-L283 HydrophobicContact CB-CD1 4.06Å; A234-T286 WeakPolarHBondContact O-CB 3.26Å; A234-T286 PolarHBondContact O-OG1 2.99Å |
| 235 | S | 91 | Very high | 89.2 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -2.5 | 178.1 | -57.8 | 0 | 0 | 0 | 0 | 113.2 | V192 V193 V231 Q232 V233 R237 R282 | V192-S235 CarbonylContact C-O 3.58Å; V192-S235 WeakPolarHBondContact CA-O 3.42Å; V192-S235 WeakPolarHBondContact CG1-O 3.32Å; V193-S235 PolarHBondContact N-O 2.96Å; V231-S235 WeakPolarHBondContact O-CB 3.23Å; V231-S235 PolarHBondContact O-N 3.38Å; V231-S235 VanDerWaalsContact O-N 3.08Å; V231-S235 PolarHBondContact O-OG 3.32Å; Q232-S235 WeakPolarHBondContact O-CB 3.43Å; Q232-S235 PolarHBondContact O-N 3.19Å; Q232-S235 VanDerWaalsContact O-N 3.12Å; V233-S235 PolarHBondContact O-N 3.04Å; S235-R237 PolarHBondContact O-N 3.47Å; S235-R282 WeakPolarHBondContact OG-CB 3.29Å; S235-R282 WeakPolarHBondContact OG-CG 3.41Å |
| 236 | I | 89.6 | Confident | 88.9 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -61.3 | 132.2 | -179.6 | -65.8 | 171.4 | 0 | 0 | 0 | 110.7 | I195 F203 Q232 V233 R238 L240 F241 T286 | I195-I236 HydrophobicContact CD1-CD1 3.63Å; I195-I236 HydrophobicContact CD1-CG1 3.62Å; I195-I236 HydrophobicContact CD1-CG2 4.5Å; I195-I236 HydrophobicContact CG1-CG1 4.24Å; F203-I236 HydrophobicContact CD1-CD1 3.73Å; F203-I236 HydrophobicContact CD2-CD1 4.3Å; F203-I236 HydrophobicContact CE1-CD1 3.67Å; F203-I236 HydrophobicContact CE2-CD1 4.23Å; F203-I236 HydrophobicContact CG-CD1 4.06Å; F203-I236 HydrophobicContact CZ-CD1 3.93Å; Q232-I236 PolarHBondContact O-N 3.23Å; V233-I236 HydrophobicContact CB-CD1 4.35Å; V233-I236 HydrophobicContact CG1-CD1 4Å; V233-I236 WeakPolarHBondContact O-CB 3.49Å; V233-I236 WeakPolarHBondContact O-CD1 3.42Å; V233-I236 VanDerWaalsContact O-CG1 3.25Å; V233-I236 WeakPolarHBondContact O-CG1 3.34Å; V233-I236 PolarHBondContact O-N 3.05Å; I236-R238 PolarHBondContact O-N 3.01Å; I236-L240 HydrophobicContact CG2-CB 4.25Å; I236-L240 HydrophobicContact CG2-CD2 3.59Å; I236-F241 HydrophobicContact CB-CE2 4.5Å; I236-F241 HydrophobicContact CG2-CE2 3.82Å; I236-F241 HydrophobicContact CG2-CZ 4.37Å; I236-T286 WeakPolarHBondContact O-CG2 3.5Å |
| 237 | R | 83.2 | Confident | 88.6 | Confident | 125 Ų | 125 | 39.8 Ų | 39.8 | 47% | 0.472 | 19% | 0.192 | S | C | . | . | trans | -54.5 | 126.6 | -179.4 | -168.5 | 172.8 | 173.8 | -174.8 | 4 | 112.4 | V192 V193 L194 S235 T239 L240 | V192-R237 HydrophobicContact CG1-CB 3.41Å; V192-R237 VanDerWaalsContact CG1-CB 3.41Å; V192-R237 HydrophobicContact CG1-CG 3.83Å; V193-R237 PolarHBondContact O-N 3.01Å; L194-R237 HydrophobicContact CD2-CB 4.09Å; L194-R237 HydrophobicContact CD2-CG 4.23Å; S235-R237 PolarHBondContact O-N 3.47Å; R237-T239 WeakPolarHBondContact CD-OG1 3.48Å; R237-T239 HydrophobicContact CG-CG2 4.35Å; R237-T239 VanDerWaalsContact CG-OG1 3.3Å; R237-T239 WeakPolarHBondContact CG-OG1 3.43Å; R237-T239 PolarHBondContact NE-OG1 3.44Å; R237-T239 VanDerWaalsContact NE-OG1 3.13Å; R237-T239 PolarHBondContact O-N 2.93Å; R237-L240 WeakPolarHBondContact O-CB 3.49Å; R237-L240 PolarHBondContact O-N 3.29Å | ||
| 238 | R | 81.1 | Confident | 88.4 | Confident | 107 Ų | 107 | 42.8 Ų | 42.8 | 40% | 0.404 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -50.5 | -25.9 | 176.2 | 70.4 | -177.3 | -170 | 162.1 | 2.3 | 115.8 | I236 L240 F241 | I236-R238 PolarHBondContact O-N 3.01Å; R238-L240 PolarHBondContact O-N 3.09Å; R238-F241 PolarHBondContact O-N 3.21Å |
| 239 | T | 81 | Confident | 88.3 | Confident | 84 Ų | 84 | 42 Ų | 42 | 52% | 0.515 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -73.4 | -14.5 | 179.7 | 57.9 | 0 | 0 | 0 | 0 | 113.5 | R237 F241 | R237-T239 WeakPolarHBondContact CD-OG1 3.48Å; R237-T239 HydrophobicContact CG-CG2 4.35Å; R237-T239 VanDerWaalsContact CG-OG1 3.3Å; R237-T239 WeakPolarHBondContact CG-OG1 3.43Å; R237-T239 PolarHBondContact NE-OG1 3.44Å; R237-T239 VanDerWaalsContact NE-OG1 3.13Å; R237-T239 PolarHBondContact O-N 2.93Å; T239-F241 PolarHBondContact O-N 3.4Å |
| 240 | L | 82.3 | Confident | 88.2 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 6% | 0.058 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -66.2 | -30.1 | 174.3 | -172.9 | 66.8 | 0 | 0 | 0 | 111.2 | I195 R200 I236 R237 R238 | I195-L240 HydrophobicContact CB-CD2 4.48Å; R200-L240 HydrophobicContact CB-CD1 4.17Å; R200-L240 HydrophobicContact CG-CD1 4.5Å; R200-L240 PolarHBondContact NE-O 2.94Å; R200-L240 PolarHBondContact NH1-O 3.33Å; R200-L240 PolarHBondContact NH2-O 2.97Å; I236-L240 HydrophobicContact CG2-CB 4.25Å; I236-L240 HydrophobicContact CG2-CD2 3.59Å; R237-L240 WeakPolarHBondContact O-CB 3.49Å; R237-L240 PolarHBondContact O-N 3.29Å; R238-L240 PolarHBondContact O-N 3.09Å |
| 241 | F | 83.9 | Confident | 88.1 | Confident | 13 Ų | 13 | 44.4 Ų | 44.4 | 6% | 0.057 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -106.6 | 154.2 | -177.7 | -54 | -73.7 | 0 | 0 | 0 | 111.4 | F203 F206 I236 R238 T239 K245 R246 M249 | F203-F241 HydrophobicContact CB-CE1 3.94Å; F203-F241 HydrophobicContact CB-CZ 3.78Å; F206-F241 HydrophobicContact CE1-CE1 4.5Å; I236-F241 HydrophobicContact CB-CE2 4.5Å; I236-F241 HydrophobicContact CG2-CE2 3.82Å; I236-F241 HydrophobicContact CG2-CZ 4.37Å; R238-F241 PolarHBondContact O-N 3.21Å; T239-F241 PolarHBondContact O-N 3.4Å; F241-K245 HydrophobicContact CB-CB 4.21Å; F241-R246 HydrophobicContact CB-CB 4.24Å; F241-M249 HydrophobicContact CD2-SD 3.9Å; F241-M249 HydrophobicContact CE2-CE 4.48Å; F241-M249 HydrophobicContact CE2-SD 3.38Å; F241-M249 WeakPolarHBondContact CE2-SD 3.18Å; F241-M249 HydrophobicContact CZ-SD 3.78Å |
| 242 | D | 84.9 | Confident | 88.1 | Confident | 71 Ų | 71 | 46.2 Ų | 46.2 | 38% | 0.38 | 22% | 0.224 | S | C | . | . | trans | -76.6 | 170.2 | 166.4 | 64.4 | 47.3 | 0 | 0 | 0 | 110.6 | K244 K245 R246 | D242-K244 VanDerWaalsContact C-N 3.27Å; D242-K244 PolarHBondContact O-N 2.94Å; D242-K244 PolarHBondContact OD1-N 3.36Å; D242-K245 PolarHBondContact O-N 3.22Å; D242-K245 VanDerWaalsContact OD1-CB 3.32Å; D242-K245 WeakPolarHBondContact OD1-CB 3.21Å; D242-K245 WeakPolarHBondContact OD1-CG 3.22Å; D242-K245 PolarHBondContact OD1-N 2.81Å; D242-R246 VanDerWaalsContact O-CB 3.23Å; D242-R246 WeakPolarHBondContact O-CB 3.48Å; D242-R246 PolarHBondContact O-N 3.17Å | ||
| 243 | C | 84.1 | Confident | 88.2 | Confident | 86 Ų | 86 | 44.8 Ų | 44.8 | 58% | 0.581 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -58.4 | -37.5 | -175.8 | -169.1 | 0 | 0 | 0 | 0 | 112.9 | R246 T247 | C243-R246 PolarHBondContact SG-NH2 3.45Å; C243-R246 VanDerWaalsContact SG-NH2 3.4Å; C243-T247 PolarHBondContact O-N 3.49Å; C243-T247 PolarHBondContact O-OG1 3.45Å |
| 244 | K | 86.9 | Confident | 88.3 | Confident | 150 Ų | 150 | 44.7 Ų | 44.7 | 65% | 0.652 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -72.3 | -49.4 | -178 | -173.9 | -175 | 177.8 | -169.8 | 0 | 110.8 | D242 R246 T247 E248 | D242-K244 VanDerWaalsContact C-N 3.27Å; D242-K244 PolarHBondContact O-N 2.94Å; D242-K244 PolarHBondContact OD1-N 3.36Å; K244-R246 VanDerWaalsContact C-N 3.29Å; K244-R246 PolarHBondContact O-N 3.14Å; K244-T247 PolarHBondContact O-N 3.42Å; K244-T247 VanDerWaalsContact O-N 3.17Å; K244-E248 VanDerWaalsContact CE-OE1 3.26Å; K244-E248 WeakPolarHBondContact CE-OE1 3.35Å; K244-E248 PolarHBondContact O-N 3.35Å |
| 245 | K | 87.2 | Confident | 88.5 | Confident | 41 Ų | 41 | 48.8 Ų | 48.8 | 18% | 0.178 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.7 | -35.1 | 179.3 | -74.8 | -76.6 | 164.8 | -163.8 | 0 | 112.4 | F204 F206 F241 D242 T247 E248 M249 | F204-K245 HydrophobicContact CD1-CD 4.49Å; F204-K245 HydrophobicContact CD2-CD 4.26Å; F204-K245 HydrophobicContact CD2-CG 4.43Å; F204-K245 HydrophobicContact CE1-CD 4.09Å; F204-K245 VanDerWaalsContact CE1-CE 3.46Å; F204-K245 HydrophobicContact CE2-CD 3.82Å; F204-K245 HydrophobicContact CE2-CG 3.69Å; F204-K245 HydrophobicContact CZ-CD 3.74Å; F204-K245 VanDerWaalsContact CZ-CE 3.41Å; F204-K245 HydrophobicContact CZ-CG 3.84Å; F206-K245 HydrophobicContact CE2-CD 4.17Å; F206-K245 HydrophobicContact CZ-CB 4.3Å; F206-K245 HydrophobicContact CZ-CD 3.79Å; F206-K245 VanDerWaalsContact CZ-O 3.28Å; F206-K245 WeakPolarHBondContact CZ-O 3.31Å; F241-K245 HydrophobicContact CB-CB 4.21Å; D242-K245 PolarHBondContact O-N 3.22Å; D242-K245 VanDerWaalsContact OD1-CB 3.32Å; D242-K245 WeakPolarHBondContact OD1-CB 3.21Å; D242-K245 WeakPolarHBondContact OD1-CG 3.22Å; D242-K245 PolarHBondContact OD1-N 2.81Å; K245-T247 VanDerWaalsContact C-N 3.34Å; K245-T247 PolarHBondContact O-N 2.87Å; K245-E248 WeakPolarHBondContact CD-OE2 3.3Å; K245-E248 WeakPolarHBondContact CE-OE2 3.37Å; K245-E248 IonicContact NZ-OE2 2.73Å; K245-E248 PolarHBondContact NZ-OE2 3.28Å; K245-E248 PolarHBondContact O-N 2.52Å; K245-M249 WeakPolarHBondContact O-CB 3.28Å; K245-M249 PolarHBondContact O-N 2.68Å |
| 246 | R | 86.8 | Confident | 88.6 | Confident | 38 Ų | 38 | 49.1 Ų | 49.1 | 14% | 0.143 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.9 | -42.3 | 173.6 | -178.6 | 179.2 | 56.2 | 161.8 | 5.1 | 112.3 | F241 D242 C243 K244 L250 E291 | F241-R246 HydrophobicContact CB-CB 4.24Å; D242-R246 VanDerWaalsContact O-CB 3.23Å; D242-R246 WeakPolarHBondContact O-CB 3.48Å; D242-R246 PolarHBondContact O-N 3.17Å; C243-R246 PolarHBondContact SG-NH2 3.45Å; C243-R246 VanDerWaalsContact SG-NH2 3.4Å; K244-R246 VanDerWaalsContact C-N 3.29Å; K244-R246 PolarHBondContact O-N 3.14Å; R246-L250 WeakPolarHBondContact O-CB 3.35Å; R246-L250 PolarHBondContact O-N 3.47Å; R246-E291 WeakPolarHBondContact CD-OE2 3.23Å; R246-E291 IonicContact CZ-OE1 3.56Å; R246-E291 IonicContact CZ-OE2 3.61Å; R246-E291 IonicContact NE-OE1 3.87Å; R246-E291 PolarHBondContact NE-OE1 2.89Å; R246-E291 IonicContact NE-OE2 3.23Å; R246-E291 PolarHBondContact NE-OE2 3.47Å; R246-E291 IonicContact NH1-OE1 3.5Å; R246-E291 PolarHBondContact NH1-OE1 2.92Å; R246-E291 IonicContact NH1-OE2 3.6Å; R246-E291 IonicContact NH2-OE1 2.78Å; R246-E291 PolarHBondContact NH2-OE1 3.43Å; R246-E291 VanDerWaalsContact NH2-OE1 3.11Å |
| 247 | T | 88.7 | Confident | 88.9 | Confident | 51 Ų | 51 | 49.2 Ų | 49.2 | 31% | 0.313 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.6 | -38.8 | 175.9 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | C243 K244 K245 L250 L251 | C243-T247 PolarHBondContact O-N 3.49Å; C243-T247 PolarHBondContact O-OG1 3.45Å; K244-T247 PolarHBondContact O-N 3.42Å; K244-T247 VanDerWaalsContact O-N 3.17Å; K245-T247 VanDerWaalsContact C-N 3.34Å; K245-T247 PolarHBondContact O-N 2.87Å; T247-L250 PolarHBondContact O-N 2.85Å; T247-L251 WeakPolarHBondContact O-CB 3.48Å; T247-L251 PolarHBondContact O-N 3.01Å |
| 248 | E | 90.7 | Very high | 89.5 | Confident | 63 Ų | 63 | 43.7 Ų | 43.7 | 29% | 0.294 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 174.7 | -68.3 | 172.6 | -169.8 | 0 | 0 | 111.8 | F206 K244 K245 L251 E252 | F206-E248 HydrophobicContact CD2-CB 4.44Å; F206-E248 HydrophobicContact CE2-CB 3.52Å; F206-E248 HydrophobicContact CZ-CB 4Å; K244-E248 VanDerWaalsContact CE-OE1 3.26Å; K244-E248 WeakPolarHBondContact CE-OE1 3.35Å; K244-E248 PolarHBondContact O-N 3.35Å; K245-E248 WeakPolarHBondContact CD-OE2 3.3Å; K245-E248 WeakPolarHBondContact CE-OE2 3.37Å; K245-E248 IonicContact NZ-OE2 2.73Å; K245-E248 PolarHBondContact NZ-OE2 3.28Å; K245-E248 PolarHBondContact O-N 2.52Å; E248-L251 PolarHBondContact O-N 2.81Å; E248-E252 PolarHBondContact O-N 3.47Å |
| 249 | M | 90.7 | Very high | 90.1 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.6 | -46.4 | 175.6 | -173.6 | -174.1 | 127.9 | 0 | 0 | 111.8 | F206 I209 F241 K245 L251 E252 M253 | F206-M249 HydrophobicContact CD1-CB 3.92Å; F206-M249 HydrophobicContact CD1-CG 4.01Å; F206-M249 HydrophobicContact CE1-CB 3.47Å; F206-M249 VanDerWaalsContact CE1-CB 3.47Å; F206-M249 HydrophobicContact CE1-CG 3.95Å; F206-M249 HydrophobicContact CZ-CB 3.94Å; I209-M249 HydrophobicContact CD1-CG 3.88Å; F241-M249 HydrophobicContact CD2-SD 3.9Å; F241-M249 HydrophobicContact CE2-CE 4.48Å; F241-M249 HydrophobicContact CE2-SD 3.38Å; F241-M249 WeakPolarHBondContact CE2-SD 3.18Å; F241-M249 HydrophobicContact CZ-SD 3.78Å; K245-M249 WeakPolarHBondContact O-CB 3.28Å; K245-M249 PolarHBondContact O-N 2.68Å; M249-L251 VanDerWaalsContact C-N 3.32Å; M249-L251 PolarHBondContact O-N 2.84Å; M249-E252 PolarHBondContact O-N 3.13Å; M249-M253 WeakPolarHBondContact O-CG 3.26Å; M249-M253 PolarHBondContact O-N 2.87Å |
| 250 | L | 92.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.7 | -43 | 178.4 | 177.6 | 61 | 0 | 0 | 0 | 110.8 | R246 T247 M253 M254 L283 H287 E291 F292 | R246-L250 WeakPolarHBondContact O-CB 3.35Å; R246-L250 PolarHBondContact O-N 3.47Å; T247-L250 PolarHBondContact O-N 2.85Å; L250-M253 PolarHBondContact O-N 3.01Å; L250-M254 HydrophobicContact CD1-CG 4.05Å; L250-M254 HydrophobicContact CD1-SD 4.03Å; L250-M254 HydrophobicContact CD2-SD 4.33Å; L250-M254 HydrophobicContact CG-CG 4.29Å; L250-M254 HydrophobicContact CG-SD 3.77Å; L250-M254 WeakPolarHBondContact O-CB 3.47Å; L250-M254 WeakPolarHBondContact O-CG 3.25Å; L250-M254 PolarHBondContact O-N 3.48Å; L250-L283 HydrophobicContact CD1-CD1 3.95Å; L250-L283 HydrophobicContact CD1-CD2 4.22Å; L250-L283 HydrophobicContact CD1-CG 4.03Å; L250-H287 HydrophobicContact CD1-CB 4.35Å; L250-H287 HydrophobicContact CD2-CB 4.24Å; L250-E291 HydrophobicContact CD2-CB 3.67Å; L250-F292 HydrophobicContact CD1-CD1 4.26Å; L250-F292 HydrophobicContact CD1-CE1 3.82Å; L250-F292 HydrophobicContact CD1-CE2 4.21Å; L250-F292 HydrophobicContact CD1-CZ 3.79Å; L250-F292 HydrophobicContact CD2-CD1 4.46Å; L250-F292 HydrophobicContact CD2-CD2 4.12Å; L250-F292 HydrophobicContact CD2-CE2 4.41Å; L250-F292 HydrophobicContact CD2-CG 4.16Å |
| 251 | L | 94.2 | Very high | 91.3 | Very high | 50 Ų | 50 | 39.9 Ų | 39.9 | 26% | 0.262 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.6 | -47.5 | 176.7 | -178.4 | 65.3 | 0 | 0 | 0 | 111.4 | T247 E248 M249 M253 M254 E255 A295 C297 | T247-L251 WeakPolarHBondContact O-CB 3.48Å; T247-L251 PolarHBondContact O-N 3.01Å; E248-L251 PolarHBondContact O-N 2.81Å; M249-L251 VanDerWaalsContact C-N 3.32Å; M249-L251 PolarHBondContact O-N 2.84Å; L251-M253 PolarHBondContact O-N 3.36Å; L251-M254 PolarHBondContact O-N 3.17Å; L251-E255 HydrophobicContact CD1-CG 4.44Å; L251-E255 WeakPolarHBondContact O-CB 3.26Å; L251-E255 WeakPolarHBondContact O-CG 3.16Å; L251-E255 PolarHBondContact O-N 2.82Å; L251-A295 HydrophobicContact CD1-CB 4.24Å; L251-C297 VanDerWaalsContact CD1-SG 3.57Å |
| 252 | E | 93.6 | Very high | 91.6 | Very high | 38 Ų | 38 | 42.1 Ų | 42.1 | 18% | 0.178 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.6 | -40.6 | 178.4 | -168.8 | 72.3 | -132 | 0 | 0 | 112.1 | F206 I209 K210 E248 M249 S256 | F206-E252 HydrophobicContact CB-CG 4.33Å; I209-E252 HydrophobicContact CB-CG 4.38Å; I209-E252 HydrophobicContact CD1-CG 4.49Å; I209-E252 HydrophobicContact CG2-CG 4.15Å; K210-E252 WeakPolarHBondContact CE-OE1 3.15Å; K210-E252 WeakPolarHBondContact CE-OE2 3.04Å; K210-E252 IonicContact NZ-OE1 3.69Å; K210-E252 IonicContact NZ-OE2 2.79Å; K210-E252 PolarHBondContact NZ-OE2 3.26Å; E248-E252 PolarHBondContact O-N 3.47Å; M249-E252 PolarHBondContact O-N 3.13Å; E252-S256 WeakPolarHBondContact O-CB 3.45Å; E252-S256 PolarHBondContact O-N 3.44Å; E252-S256 PolarHBondContact O-OG 3.42Å |
| 253 | M | 94.5 | Very high | 91.7 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.9 | -44.5 | 172.9 | -76.8 | -63.8 | -163.9 | 0 | 0 | 112 | I209 L230 V233 A234 M249 L250 L251 E255 S256 V257 L283 | I209-M253 HydrophobicContact CD1-CE 3.72Å; I209-M253 HydrophobicContact CD1-CG 3.92Å; I209-M253 HydrophobicContact CD1-SD 3.98Å; I209-M253 HydrophobicContact CG1-CE 3.7Å; I209-M253 HydrophobicContact CG1-SD 4.1Å; I209-M253 HydrophobicContact CG2-CE 4.34Å; I209-M253 HydrophobicContact CG2-CG 4.5Å; I209-M253 HydrophobicContact CG2-SD 3.66Å; L230-M253 HydrophobicContact CD2-SD 4.39Å; V233-M253 HydrophobicContact CB-CE 3.84Å; V233-M253 HydrophobicContact CG1-CE 3.49Å; V233-M253 VanDerWaalsContact CG1-CE 3.49Å; A234-M253 HydrophobicContact CB-CE 3.98Å; M249-M253 WeakPolarHBondContact O-CG 3.26Å; M249-M253 PolarHBondContact O-N 2.87Å; L250-M253 PolarHBondContact O-N 3.01Å; L251-M253 PolarHBondContact O-N 3.36Å; M253-E255 VanDerWaalsContact C-N 3.35Å; M253-S256 WeakPolarHBondContact O-CB 3.41Å; M253-S256 PolarHBondContact O-N 3.36Å; M253-V257 WeakPolarHBondContact O-CG2 3.34Å; M253-V257 PolarHBondContact O-N 2.95Å; M253-L283 HydrophobicContact CB-CD1 3.89Å; M253-L283 HydrophobicContact CB-CD2 4.26Å; M253-L283 HydrophobicContact CG-CD1 4.04Å |
| 254 | M | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.3 | -40.5 | 178.9 | -73.5 | 173.2 | 70.7 | 0 | 0 | 111.4 | L250 L251 V257 I258 F292 A295 F298 F301 | L250-M254 HydrophobicContact CD1-CG 4.05Å; L250-M254 HydrophobicContact CD1-SD 4.03Å; L250-M254 HydrophobicContact CD2-SD 4.33Å; L250-M254 HydrophobicContact CG-CG 4.29Å; L250-M254 HydrophobicContact CG-SD 3.77Å; L250-M254 WeakPolarHBondContact O-CB 3.47Å; L250-M254 WeakPolarHBondContact O-CG 3.25Å; L250-M254 PolarHBondContact O-N 3.48Å; L251-M254 PolarHBondContact O-N 3.17Å; M254-V257 PolarHBondContact O-N 3.15Å; M254-I258 WeakPolarHBondContact O-CB 3.45Å; M254-I258 WeakPolarHBondContact O-CD1 3.38Å; M254-I258 WeakPolarHBondContact O-CG1 3.42Å; M254-I258 PolarHBondContact O-N 3.23Å; M254-F292 HydrophobicContact CE-CD1 4.18Å; M254-F292 HydrophobicContact CG-CE1 4.48Å; M254-F292 HydrophobicContact SD-CD1 3.87Å; M254-F292 HydrophobicContact SD-CE1 4.35Å; M254-A295 HydrophobicContact CE-CB 3.93Å; M254-A295 HydrophobicContact SD-CB 3.79Å; M254-F298 HydrophobicContact CE-CB 4.39Å; M254-F298 HydrophobicContact CE-CD2 4.35Å; M254-F301 HydrophobicContact CB-CD2 3.77Å; M254-F301 HydrophobicContact CB-CE2 4.09Å; M254-F301 HydrophobicContact CB-CG 4.46Å; M254-F301 HydrophobicContact CE-CB 3.64Å; M254-F301 HydrophobicContact CE-CD1 3.99Å; M254-F301 HydrophobicContact CE-CD2 4.15Å; M254-F301 HydrophobicContact CE-CG 3.68Å; M254-F301 HydrophobicContact CG-CD2 3.82Å; M254-F301 HydrophobicContact CG-CE2 3.85Å; M254-F301 HydrophobicContact CG-CG 4.28Å; M254-F301 HydrophobicContact CG-CZ 4.32Å |
| 255 | E | 95.2 | Very high | 91.5 | Very high | 87 Ų | 87 | 40 Ų | 40 | 41% | 0.407 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.7 | -44.2 | 175.3 | -74.3 | -178.7 | 174.1 | 0 | 0 | 111.6 | L251 M253 V257 I258 E259 | L251-E255 HydrophobicContact CD1-CG 4.44Å; L251-E255 WeakPolarHBondContact O-CB 3.26Å; L251-E255 WeakPolarHBondContact O-CG 3.16Å; L251-E255 PolarHBondContact O-N 2.82Å; M253-E255 VanDerWaalsContact C-N 3.35Å; E255-V257 PolarHBondContact O-N 3.33Å; E255-I258 PolarHBondContact O-N 3.43Å; E255-E259 WeakPolarHBondContact O-CB 3.46Å; E255-E259 PolarHBondContact O-N 2.92Å |
| 256 | S | 94.1 | Very high | 91.5 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 5% | 0.049 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.6 | -47.8 | 173.6 | -61.7 | 0 | 0 | 0 | 0 | 111.4 | H213 E252 M253 I258 E259 M260 | H213-S256 PolarHBondContact NE2-O 2.94Å; E252-S256 WeakPolarHBondContact O-CB 3.45Å; E252-S256 PolarHBondContact O-N 3.44Å; E252-S256 PolarHBondContact O-OG 3.42Å; M253-S256 WeakPolarHBondContact O-CB 3.41Å; M253-S256 PolarHBondContact O-N 3.36Å; S256-I258 PolarHBondContact O-N 3.39Å; S256-E259 PolarHBondContact O-N 3.24Å; S256-M260 VanDerWaalsContact O-CG 3.27Å; S256-M260 WeakPolarHBondContact O-CG 3.45Å; S256-M260 PolarHBondContact O-N 2.89Å |
| 257 | V | 95.5 | Very high | 91.4 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.024 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.1 | -43.1 | 177.1 | 168.4 | 0 | 0 | 0 | 0 | 111.7 | M253 M254 E255 E259 M260 L261 F276 L279 L280 F301 T305 | M253-V257 WeakPolarHBondContact O-CG2 3.34Å; M253-V257 PolarHBondContact O-N 2.95Å; M254-V257 PolarHBondContact O-N 3.15Å; E255-V257 PolarHBondContact O-N 3.33Å; V257-E259 VanDerWaalsContact C-N 3.3Å; V257-E259 PolarHBondContact O-N 3.26Å; V257-M260 PolarHBondContact O-N 2.85Å; V257-L261 HydrophobicContact CG1-CD1 4.06Å; V257-L261 WeakPolarHBondContact O-CB 3.39Å; V257-L261 VanDerWaalsContact O-CG 3.32Å; V257-L261 WeakPolarHBondContact O-CG 3.31Å; V257-L261 PolarHBondContact O-N 3.06Å; V257-F276 HydrophobicContact CG1-CE2 4.32Å; V257-F276 HydrophobicContact CG1-CZ 3.91Å; V257-L279 HydrophobicContact CG2-CD2 4.19Å; V257-L280 HydrophobicContact CG1-CD2 3.94Å; V257-F301 HydrophobicContact CB-CD2 4.39Å; V257-F301 HydrophobicContact CB-CE2 3.78Å; V257-F301 HydrophobicContact CG1-CD2 4.15Å; V257-F301 HydrophobicContact CG1-CE2 3.52Å; V257-F301 HydrophobicContact CG1-CZ 4.32Å; V257-F301 HydrophobicContact CG2-CE2 4.33Å; V257-T305 HydrophobicContact CG1-CG2 4.35Å |
| 258 | I | 95.9 | Very high | 91.2 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 5% | 0.046 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61 | -41.2 | 176.9 | -74 | 164 | 0 | 0 | 0 | 110.7 | M254 E255 S256 L261 S262 C297 K300 F301 | M254-I258 WeakPolarHBondContact O-CB 3.45Å; M254-I258 WeakPolarHBondContact O-CD1 3.38Å; M254-I258 WeakPolarHBondContact O-CG1 3.42Å; M254-I258 PolarHBondContact O-N 3.23Å; E255-I258 PolarHBondContact O-N 3.43Å; S256-I258 PolarHBondContact O-N 3.39Å; I258-L261 PolarHBondContact O-N 3.49Å; I258-S262 WeakPolarHBondContact O-CB 3.5Å; I258-S262 PolarHBondContact O-N 2.85Å; I258-S262 PolarHBondContact O-OG 3.37Å; I258-C297 HydrophobicContact CD1-CB 3.73Å; I258-K300 HydrophobicContact CD1-CB 4.36Å; I258-K300 HydrophobicContact CD1-CD 4.42Å; I258-K300 HydrophobicContact CD1-CG 4.35Å; I258-K300 HydrophobicContact CG2-CD 3.82Å; I258-K300 HydrophobicContact CG2-CG 4.19Å; I258-F301 HydrophobicContact CD1-CB 3.96Å; I258-F301 HydrophobicContact CD1-CD2 4.42Å; I258-F301 HydrophobicContact CG1-CB 4.18Å; I258-F301 HydrophobicContact CG1-CD2 4.11Å |
| 259 | E | 93.9 | Very high | 91 | Very high | 101 Ų | 101 | 40.4 Ų | 40.4 | 47% | 0.472 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.9 | -44.5 | 179.5 | -166.7 | 178.9 | 163.1 | 0 | 0 | 111.5 | H213 M217 E255 S256 V257 L261 S262 S263 | H213-E259 VanDerWaalsContact CE1-CD 3.43Å; H213-E259 IonicContact CE1-OE1 3.62Å; H213-E259 IonicContact CE1-OE2 3.52Å; H213-E259 PolarHBondContact CE1-OE2 3.37Å; H213-E259 IonicContact NE2-OE2 2.72Å; M217-E259 HydrophobicContact CE-CG 4.07Å; E255-E259 WeakPolarHBondContact O-CB 3.46Å; E255-E259 PolarHBondContact O-N 2.92Å; S256-E259 PolarHBondContact O-N 3.24Å; V257-E259 VanDerWaalsContact C-N 3.3Å; V257-E259 PolarHBondContact O-N 3.26Å; E259-L261 VanDerWaalsContact C-N 3.26Å; E259-L261 PolarHBondContact O-N 3.15Å; E259-S262 PolarHBondContact O-N 3.35Å; E259-S263 WeakPolarHBondContact O-CB 3.33Å; E259-S263 PolarHBondContact O-N 2.85Å; E259-S263 PolarHBondContact O-OG 3.49Å |
| 260 | M | 93.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -54.6 | -42.9 | 171.9 | -68.8 | -179.8 | -175.5 | 0 | 0 | 111.8 | Y216 M217 L230 S256 V257 S263 R265 F276 | Y216-M260 HydrophobicContact CD1-CE 3.82Å; Y216-M260 HydrophobicContact CD1-CG 3.94Å; Y216-M260 HydrophobicContact CD1-SD 4.13Å; Y216-M260 HydrophobicContact CE1-CB 4.29Å; Y216-M260 HydrophobicContact CE1-CE 4.27Å; Y216-M260 HydrophobicContact CE1-CG 3.68Å; Y216-M260 HydrophobicContact CE1-SD 3.95Å; Y216-M260 HydrophobicContact CG-CE 4.14Å; M217-M260 HydrophobicContact SD-CG 4.41Å; L230-M260 HydrophobicContact CD1-CE 3.39Å; S256-M260 VanDerWaalsContact O-CG 3.27Å; S256-M260 WeakPolarHBondContact O-CG 3.45Å; S256-M260 PolarHBondContact O-N 2.89Å; V257-M260 PolarHBondContact O-N 2.85Å; M260-S263 PolarHBondContact O-OG 2.89Å; M260-R265 CarbonylContact O-C 3.58Å; M260-F276 HydrophobicContact CB-CE2 4.46Å; M260-F276 HydrophobicContact SD-CD2 4.32Å; M260-F276 HydrophobicContact SD-CE2 3.98Å |
| 261 | L | 93.5 | Very high | 90.5 | Very high | 19 Ų | 19 | 48.8 Ų | 48.8 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -80.2 | -21.1 | -179.4 | -67.3 | -179.6 | 0 | 0 | 0 | 114.7 | V257 I258 E259 V266 F276 K304 T305 F308 | V257-L261 HydrophobicContact CG1-CD1 4.06Å; V257-L261 WeakPolarHBondContact O-CB 3.39Å; V257-L261 VanDerWaalsContact O-CG 3.32Å; V257-L261 WeakPolarHBondContact O-CG 3.31Å; V257-L261 PolarHBondContact O-N 3.06Å; I258-L261 PolarHBondContact O-N 3.49Å; E259-L261 VanDerWaalsContact C-N 3.26Å; E259-L261 PolarHBondContact O-N 3.15Å; L261-V266 HydrophobicContact CD2-CG1 4.24Å; L261-F276 HydrophobicContact CD1-CE1 4.38Å; L261-F276 HydrophobicContact CD1-CZ 3.98Å; L261-F276 HydrophobicContact CD2-CE1 3.82Å; L261-F276 HydrophobicContact CD2-CZ 3.61Å; L261-F276 HydrophobicContact CG-CE1 4.35Å; L261-F276 HydrophobicContact CG-CZ 3.75Å; L261-K304 HydrophobicContact CB-CB 4.17Å; L261-K304 HydrophobicContact CD1-CB 3.91Å; L261-T305 HydrophobicContact CD1-CG2 4.04Å; L261-F308 HydrophobicContact CD1-CB 4.29Å; L261-F308 HydrophobicContact CD2-CB 3.79Å; L261-F308 HydrophobicContact CD2-CD2 3.67Å; L261-F308 HydrophobicContact CD2-CE2 4.49Å; L261-F308 HydrophobicContact CD2-CG 3.81Å |
| 262 | S | 91.2 | Very high | 90.3 | Very high | 60 Ų | 60 | 46.5 Ų | 46.5 | 42% | 0.42 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -94.5 | -18.2 | -179.6 | -57.1 | 0 | 0 | 0 | 0 | 113 | I258 E259 K304 | I258-S262 WeakPolarHBondContact O-CB 3.5Å; I258-S262 PolarHBondContact O-N 2.85Å; I258-S262 PolarHBondContact O-OG 3.37Å; E259-S262 PolarHBondContact O-N 3.35Å; S262-K304 WeakPolarHBondContact OG-CE 3.38Å |
| 263 | S | 87.2 | Confident | 90.1 | Very high | 31 Ų | 31 | 45 Ų | 45 | 22% | 0.217 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -88.7 | 178.5 | 179.1 | 69.8 | 0 | 0 | 0 | 0 | 112.3 | M217 E259 M260 R265 | M217-S263 WeakPolarHBondContact CE-OG 3.11Å; E259-S263 WeakPolarHBondContact O-CB 3.33Å; E259-S263 PolarHBondContact O-N 2.85Å; E259-S263 PolarHBondContact O-OG 3.49Å; M260-S263 PolarHBondContact O-OG 2.89Å; S263-R265 PolarHBondContact O-N 3.44Å; S263-R265 PolarHBondContact OG-N 2.96Å |
| 264 | N | 83.2 | Confident | 90 | Very high | 172 Ų | 172 | 46.7 Ų | 46.7 | 92% | 0.92 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -75.5 | 4.8 | 171.8 | -66.4 | -21.5 | 0 | 0 | 0 | 113.2 | ||
| 265 | R | 84.2 | Confident | 89.8 | Confident | 61 Ų | 61 | 47.8 Ų | 47.8 | 23% | 0.23 | 27% | 0.267 | C | S | . | . | trans | -106 | 37.3 | -176.5 | -60.5 | -68.6 | -67.3 | 138.7 | 12.5 | 111.8 | Y216 M217 E223 M260 S263 | Y216-R265 HydrophobicContact CE1-CB 4.24Å; Y216-R265 PolarHBondContact O-NH2 3.45Å; Y216-R265 VanDerWaalsContact O-NH2 3.15Å; Y216-R265 PolarHBondContact OH-O 3.23Å; M217-R265 PolarHBondContact O-NE 3.38Å; M217-R265 HydrophobicContact SD-CB 3.8Å; M217-R265 HydrophobicContact SD-CG 4.14Å; E223-R265 IonicContact OE2-CZ 3.47Å; E223-R265 IonicContact OE2-NH1 2.68Å; E223-R265 PolarHBondContact OE2-NH1 3.37Å; E223-R265 IonicContact OE2-NH2 3.35Å; E223-R265 PolarHBondContact OE2-NH2 2.71Å; M260-R265 CarbonylContact O-C 3.58Å; S263-R265 PolarHBondContact O-N 3.44Å; S263-R265 PolarHBondContact OG-N 2.96Å | ||
| 266 | V | 85.8 | Confident | 89.9 | Confident | 53 Ų | 53 | 43.7 Ų | 43.7 | 32% | 0.321 | 25% | 0.247 | S | C | . | . | trans | -64.6 | 131.5 | 173.2 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | L261 S268 F308 | L261-V266 HydrophobicContact CD2-CG1 4.24Å; V266-S268 PolarHBondContact O-N 3.21Å; V266-F308 HydrophobicContact CG1-CD2 3.92Å; V266-F308 HydrophobicContact CG1-CE2 4.13Å | ||
| 267 | P | 85.9 | Confident | 89.9 | Confident | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.032 | 25% | 0.245 | C | C | . | . | trans | -57.6 | 112.6 | 176.8 | -18.6 | 26.8 | 0 | 0 | 0 | 110.7 | Y216 S273 F276 | Y216-P267 WeakPolarHBondContact OH-CG 3.46Å; P267-S273 PolarHBondContact O-OG 3.5Å; P267-F276 HydrophobicContact CB-CB 3.99Å; P267-F276 HydrophobicContact CB-CG 4.29Å; P267-F276 HydrophobicContact CG-CB 3.72Å; P267-F276 HydrophobicContact CG-CD1 4.09Å; P267-F276 HydrophobicContact CG-CD2 3.58Å; P267-F276 HydrophobicContact CG-CE2 4.15Å; P267-F276 HydrophobicContact CG-CG 3.54Å | ||
| 268 | S | 83.6 | Confident | 89.8 | Confident | 106 Ų | 106 | 44 Ų | 44 | 74% | 0.741 | 25% | 0.248 | S | C | * | . | trans | -124.2 | -24.6 | -174.2 | 50 | 0 | 0 | 0 | 0 | 113.7 | V266 | V266-S268 PolarHBondContact O-N 3.21Š| ||
| 269 | A | 85.8 | Confident | 89.7 | Confident | 37 Ų | 37 | 43.8 Ų | 43.8 | 31% | 0.306 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -73.1 | 145.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | E271 T272 S273 | A269-E271 VanDerWaalsContact C-N 3.3Å; A269-E271 PolarHBondContact O-N 2.66Å; A269-T272 WeakPolarHBondContact CB-OG1 3.27Å; A269-T272 PolarHBondContact N-OG1 3.02Å; A269-T272 PolarHBondContact O-N 3.05Å; A269-T272 VanDerWaalsContact O-N 3.17Å; A269-T272 PolarHBondContact O-OG1 2.91Å; A269-T272 VanDerWaalsContact O-OG1 3.08Å; A269-S273 WeakPolarHBondContact O-CB 2.98Å; A269-S273 PolarHBondContact O-N 3.14Å; A269-S273 PolarHBondContact O-OG 3.19Å |
| 270 | P | 86 | Confident | 89.8 | Confident | 69 Ų | 69 | 39 Ų | 39 | 45% | 0.448 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -51.1 | -46.1 | -177.4 | -29 | 34.9 | 0 | 0 | 0 | 113.5 | S273 H274 P319 | P270-S273 PolarHBondContact O-N 3.22Å; P270-H274 WeakPolarHBondContact O-CB 3.25Å; P270-H274 PolarHBondContact O-N 3Å; P270-P319 WeakPolarHBondContact O-CG 3.39Å |
| 271 | E | 87.5 | Confident | 89.7 | Confident | 110 Ų | 110 | 39 Ų | 39 | 51% | 0.514 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -70.4 | -39.5 | -178.1 | -51.8 | -53.2 | 170.4 | 0 | 0 | 112.9 | A269 H274 H275 | A269-E271 VanDerWaalsContact C-N 3.3Å; A269-E271 PolarHBondContact O-N 2.66Å; E271-H274 WeakPolarHBondContact O-CB 3.28Å; E271-H274 PolarHBondContact O-N 3.2Å; E271-H275 PolarHBondContact O-CD2 3.03Å; E271-H275 PolarHBondContact O-N 3.01Å |
| 272 | T | 90.2 | Very high | 89.6 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.8 | -38.4 | 176.4 | 52.3 | 0 | 0 | 0 | 0 | 112.3 | E223 L227 A269 H274 H275 F276 | E223-T272 HydrophobicContact CB-CG2 4.11Å; E223-T272 HydrophobicContact CG-CG2 3.49Å; E223-T272 VanDerWaalsContact CG-CG2 3.49Å; E223-T272 VanDerWaalsContact OE1-CG2 3.22Å; E223-T272 WeakPolarHBondContact OE1-CG2 3.26Å; L227-T272 WeakPolarHBondContact CD2-O 3.11Å; A269-T272 WeakPolarHBondContact CB-OG1 3.27Å; A269-T272 PolarHBondContact N-OG1 3.02Å; A269-T272 PolarHBondContact O-N 3.05Å; A269-T272 VanDerWaalsContact O-N 3.17Å; A269-T272 PolarHBondContact O-OG1 2.91Å; A269-T272 VanDerWaalsContact O-OG1 3.08Å; T272-H274 VanDerWaalsContact C-N 3.33Å; T272-H274 PolarHBondContact O-N 2.98Å; T272-H275 PolarHBondContact O-N 3.46Å; T272-F276 VanDerWaalsContact O-CB 3.26Å; T272-F276 WeakPolarHBondContact O-CB 3.5Å; T272-F276 PolarHBondContact O-N 3.25Å |
| 273 | S | 90.7 | Very high | 89.7 | Confident | 6 Ų | 6 | 36.5 Ų | 36.5 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.6 | -40.5 | 172.9 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | P267 A269 P270 F276 C277 | P267-S273 PolarHBondContact O-OG 3.5Å; A269-S273 WeakPolarHBondContact O-CB 2.98Å; A269-S273 PolarHBondContact O-N 3.14Å; A269-S273 PolarHBondContact O-OG 3.19Å; P270-S273 PolarHBondContact O-N 3.22Å; S273-F276 PolarHBondContact O-N 2.73Å; S273-C277 PolarHBondContact O-N 2.93Å; S273-C277 PolarHBondContact O-SG 3.05Å |
| 274 | H | 91.7 | Very high | 89.9 | Confident | 39 Ų | 39 | 35.7 Ų | 35.7 | 18% | 0.181 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.2 | -54.4 | 174.8 | 174.8 | 77 | 0 | 0 | 0 | 111.8 | P270 E271 T272 F276 C277 L278 P319 G321 G322 Y325 | P270-H274 WeakPolarHBondContact O-CB 3.25Å; P270-H274 PolarHBondContact O-N 3Å; E271-H274 WeakPolarHBondContact O-CB 3.28Å; E271-H274 PolarHBondContact O-N 3.2Å; T272-H274 VanDerWaalsContact C-N 3.33Å; T272-H274 PolarHBondContact O-N 2.98Å; H274-F276 VanDerWaalsContact C-N 3.27Å; H274-F276 PolarHBondContact O-N 3.26Å; H274-C277 PolarHBondContact O-N 3.3Å; H274-L278 PolarHBondContact O-N 3.44Å; H274-P319 HydrophobicContact CB-CB 4.49Å; H274-P319 HydrophobicContact CB-CG 4.16Å; H274-G321 VanDerWaalsContact ND1-C 3.34Å; H274-G322 PolarHBondContact ND1-N 3.17Å; H274-G322 VanDerWaalsContact ND1-N 3.14Å; H274-Y325 AromaticContact CE1-CD2 3.77Å; H274-Y325 AromaticContact CE1-CE2 3.42Å; H274-Y325 VanDerWaalsContact CE1-CE2 3.42Å; H274-Y325 WeakPolarHBondContact CE1-CE2 3.39Å; H274-Y325 AromaticContact NE2-CE2 3.85Å |
| 275 | H | 92 | Very high | 90.1 | Very high | 24 Ų | 24 | 30 Ų | 30 | 11% | 0.111 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.3 | -29.9 | -179.8 | -66.2 | -52.5 | 0 | 0 | 0 | 113 | E224 L227 N228 V231 E271 T272 L278 L279 | E224-H275 IonicContact OE1-NE2 3.78Å; L227-H275 HydrophobicContact CD2-CB 3.78Å; L227-H275 HydrophobicContact CG-CB 3.96Å; N228-H275 PolarHBondContact ND2-CD2 3.19Å; N228-H275 PolarHBondContact ND2-CE1 3.27Å; N228-H275 VanDerWaalsContact ND2-CE1 3.32Å; N228-H275 PolarHBondContact ND2-NE2 3.31Å; N228-H275 VanDerWaalsContact ND2-NE2 3.1Å; N228-H275 PolarHBondContact OD1-CE1 3.06Å; N228-H275 VanDerWaalsContact OD1-CG 3.25Å; N228-H275 PolarHBondContact OD1-ND1 3.2Å; V231-H275 VanDerWaalsContact CG2-O 3.31Å; V231-H275 WeakPolarHBondContact CG2-O 3.45Å; E271-H275 PolarHBondContact O-CD2 3.03Å; E271-H275 PolarHBondContact O-N 3.01Å; T272-H275 PolarHBondContact O-N 3.46Å; H275-L278 WeakPolarHBondContact O-CB 3.39Å; H275-L278 PolarHBondContact O-N 3.03Å; H275-L279 WeakPolarHBondContact O-CB 3.34Å; H275-L279 PolarHBondContact O-N 3.09Å |
| 276 | F | 95.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.4 | -42.1 | 174.5 | -174.3 | -100.7 | 0 | 0 | 0 | 111.9 | L227 V257 M260 L261 P267 T272 S273 H274 L278 L279 L280 F308 | L227-F276 HydrophobicContact CD1-CD2 4.29Å; L227-F276 HydrophobicContact CD2-CB 3.95Å; V257-F276 HydrophobicContact CG1-CE2 4.32Å; V257-F276 HydrophobicContact CG1-CZ 3.91Å; M260-F276 HydrophobicContact CB-CE2 4.46Å; M260-F276 HydrophobicContact SD-CD2 4.32Å; M260-F276 HydrophobicContact SD-CE2 3.98Å; L261-F276 HydrophobicContact CD1-CE1 4.38Å; L261-F276 HydrophobicContact CD1-CZ 3.98Å; L261-F276 HydrophobicContact CD2-CE1 3.82Å; L261-F276 HydrophobicContact CD2-CZ 3.61Å; L261-F276 HydrophobicContact CG-CE1 4.35Å; L261-F276 HydrophobicContact CG-CZ 3.75Å; P267-F276 HydrophobicContact CB-CB 3.99Å; P267-F276 HydrophobicContact CB-CG 4.29Å; P267-F276 HydrophobicContact CG-CB 3.72Å; P267-F276 HydrophobicContact CG-CD1 4.09Å; P267-F276 HydrophobicContact CG-CD2 3.58Å; P267-F276 HydrophobicContact CG-CE2 4.15Å; P267-F276 HydrophobicContact CG-CG 3.54Å; T272-F276 VanDerWaalsContact O-CB 3.26Å; T272-F276 WeakPolarHBondContact O-CB 3.5Å; T272-F276 PolarHBondContact O-N 3.25Å; S273-F276 PolarHBondContact O-N 2.73Å; H274-F276 VanDerWaalsContact C-N 3.27Å; H274-F276 PolarHBondContact O-N 3.26Å; F276-L278 VanDerWaalsContact C-N 3.29Å; F276-L278 PolarHBondContact O-N 3.42Å; F276-L279 HydrophobicContact CD2-CD2 4.46Å; F276-L279 WeakPolarHBondContact O-CB 3.45Å; F276-L279 PolarHBondContact O-N 3.13Å; F276-L280 HydrophobicContact CD1-CD1 4.18Å; F276-L280 HydrophobicContact CD1-CG 4.42Å; F276-L280 HydrophobicContact CE1-CD1 3.8Å; F276-L280 HydrophobicContact CE1-CD2 4.46Å; F276-L280 HydrophobicContact CE1-CG 4.15Å; F276-L280 HydrophobicContact CZ-CD2 4.46Å; F276-L280 PolarHBondContact O-N 3.06Å; F276-F308 HydrophobicContact CD1-CD1 4.17Å; F276-F308 AromaticContact CD1-CE1 3.59Å; F276-F308 HydrophobicContact CD1-CE1 3.59Å; F276-F308 HydrophobicContact CD1-CE2 4.22Å; F276-F308 AromaticContact CD1-CZ 3.62Å; F276-F308 HydrophobicContact CD1-CZ 3.62Å; F276-F308 AromaticContact CE1-CD1 3.89Å; F276-F308 HydrophobicContact CE1-CD1 3.89Å; F276-F308 HydrophobicContact CE1-CD2 4.43Å; F276-F308 AromaticContact CE1-CE1 3.8Å; F276-F308 HydrophobicContact CE1-CE1 3.8Å; F276-F308 HydrophobicContact CE1-CE2 4.35Å; F276-F308 HydrophobicContact CE1-CG 4.21Å; F276-F308 HydrophobicContact CE1-CZ 4.04Å |
| 277 | C | 94.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.5 | -39.8 | 174.3 | -64.2 | 0 | 0 | 0 | 0 | 111.1 | S273 H274 L280 C281 G322 L326 | S273-C277 PolarHBondContact O-N 2.93Å; S273-C277 PolarHBondContact O-SG 3.05Å; H274-C277 PolarHBondContact O-N 3.3Å; C277-L280 PolarHBondContact O-N 3.38Å; C277-C281 PolarHBondContact O-N 2.87Å; C277-G322 WeakPolarHBondContact CB-O 3.15Å; C277-L326 HydrophobicContact CB-CB 4.22Å |
| 278 | L | 92.9 | Very high | 90.4 | Very high | 18 Ų | 18 | 29.5 Ų | 29.5 | 9% | 0.094 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60 | -44.7 | 172.3 | -178.9 | 59.3 | 0 | 0 | 0 | 111.3 | V231 H274 H275 F276 L280 C281 R282 Y325 | V231-L278 HydrophobicContact CG1-CD2 3.82Å; V231-L278 HydrophobicContact CG1-CG 3.79Å; V231-L278 HydrophobicContact CG2-CG 4.5Å; H274-L278 PolarHBondContact O-N 3.44Å; H275-L278 WeakPolarHBondContact O-CB 3.39Å; H275-L278 PolarHBondContact O-N 3.03Å; F276-L278 VanDerWaalsContact C-N 3.29Å; F276-L278 PolarHBondContact O-N 3.42Å; L278-L280 PolarHBondContact O-N 3.28Å; L278-C281 PolarHBondContact O-N 3.5Å; L278-R282 HydrophobicContact CD1-CG 3.85Å; L278-R282 HydrophobicContact CG-CG 4.21Å; L278-R282 WeakPolarHBondContact O-CB 3.34Å; L278-R282 VanDerWaalsContact O-CG 3.28Å; L278-R282 WeakPolarHBondContact O-CG 3.4Å; L278-R282 PolarHBondContact O-N 3.23Å; L278-Y325 HydrophobicContact CB-CD2 3.88Å; L278-Y325 HydrophobicContact CB-CE2 4.19Å; L278-Y325 HydrophobicContact CB-CG 4.33Å; L278-Y325 HydrophobicContact CD1-CD1 3.98Å; L278-Y325 HydrophobicContact CD1-CD2 4Å; L278-Y325 HydrophobicContact CD1-CE1 3.8Å; L278-Y325 HydrophobicContact CD1-CE2 3.77Å; L278-Y325 HydrophobicContact CD1-CG 4.1Å; L278-Y325 HydrophobicContact CD2-CE2 4.49Å; L278-Y325 HydrophobicContact CG-CD2 4.46Å; L278-Y325 HydrophobicContact CG-CE2 4.37Å |
| 279 | L | 94.8 | Very high | 90.5 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -55.2 | -48.9 | 175.9 | 174.7 | 63.7 | 0 | 0 | 0 | 111.6 | L227 L230 V231 A234 V257 H275 F276 R282 L283 | L227-L279 HydrophobicContact CD1-CD2 3.85Å; L230-L279 HydrophobicContact CB-CD1 4.37Å; V231-L279 HydrophobicContact CG2-CB 3.75Å; V231-L279 HydrophobicContact CG2-CD1 4.43Å; A234-L279 HydrophobicContact CB-CD1 3.44Å; A234-L279 VanDerWaalsContact CB-CD1 3.44Å; V257-L279 HydrophobicContact CG2-CD2 4.19Å; H275-L279 WeakPolarHBondContact O-CB 3.34Å; H275-L279 PolarHBondContact O-N 3.09Å; F276-L279 HydrophobicContact CD2-CD2 4.46Å; F276-L279 WeakPolarHBondContact O-CB 3.45Å; F276-L279 PolarHBondContact O-N 3.13Å; L279-R282 PolarHBondContact O-N 2.87Å; L279-L283 VanDerWaalsContact O-CB 3.26Å; L279-L283 WeakPolarHBondContact O-CB 3.43Å; L279-L283 PolarHBondContact O-N 3.34Å |
| 280 | L | 95.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.7 | -48.9 | 178.4 | -66.3 | 179.2 | 0 | 0 | 0 | 111.7 | V257 F276 C277 L278 L283 K284 F301 T305 L326 Y329 | V257-L280 HydrophobicContact CG1-CD2 3.94Å; F276-L280 HydrophobicContact CD1-CD1 4.18Å; F276-L280 HydrophobicContact CD1-CG 4.42Å; F276-L280 HydrophobicContact CE1-CD1 3.8Å; F276-L280 HydrophobicContact CE1-CD2 4.46Å; F276-L280 HydrophobicContact CE1-CG 4.15Å; F276-L280 HydrophobicContact CZ-CD2 4.46Å; F276-L280 PolarHBondContact O-N 3.06Å; C277-L280 PolarHBondContact O-N 3.38Å; L278-L280 PolarHBondContact O-N 3.28Å; L280-L283 PolarHBondContact O-N 3.34Å; L280-K284 PolarHBondContact O-N 3.13Å; L280-K284 VanDerWaalsContact O-N 3.1Å; L280-F301 HydrophobicContact CD2-CZ 4.14Å; L280-T305 HydrophobicContact CD1-CG2 4.28Å; L280-T305 HydrophobicContact CD2-CG2 3.93Å; L280-L326 HydrophobicContact CD1-CD1 4.28Å; L280-Y329 HydrophobicContact CB-CD1 4.38Å; L280-Y329 HydrophobicContact CB-CD2 3.88Å; L280-Y329 HydrophobicContact CB-CE2 4.25Å; L280-Y329 HydrophobicContact CB-CG 3.95Å; L280-Y329 VanDerWaalsContact O-CD2 3.25Å; L280-Y329 WeakPolarHBondContact O-CD2 3.12Å |
| 281 | C | 92.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.014 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.7 | -47.9 | 178.9 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | C277 L278 K284 N285 Y325 | C277-C281 PolarHBondContact O-N 2.87Å; L278-C281 PolarHBondContact O-N 3.5Å; C281-K284 PolarHBondContact O-N 2.88Å; C281-N285 PolarHBondContact O-N 3.34Å; C281-Y325 HydrophobicContact CB-CD1 4.5Å |
| 282 | R | 91.2 | Very high | 90.5 | Very high | 24 Ų | 24 | 18.1 Ų | 18.1 | 9% | 0.091 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.3 | -43 | 178.2 | -66.5 | -42.6 | -175.5 | 86.2 | -4.3 | 113 | I191 V231 S235 L278 L279 K284 N285 T286 | I191-R282 PolarHBondContact O-NH1 3.19Å; V231-R282 HydrophobicContact CG1-CG 4.25Å; S235-R282 WeakPolarHBondContact OG-CB 3.29Å; S235-R282 WeakPolarHBondContact OG-CG 3.41Å; L278-R282 HydrophobicContact CD1-CG 3.85Å; L278-R282 HydrophobicContact CG-CG 4.21Å; L278-R282 WeakPolarHBondContact O-CB 3.34Å; L278-R282 VanDerWaalsContact O-CG 3.28Å; L278-R282 WeakPolarHBondContact O-CG 3.4Å; L278-R282 PolarHBondContact O-N 3.23Å; L279-R282 PolarHBondContact O-N 2.87Å; R282-K284 VanDerWaalsContact C-N 3.27Å; R282-K284 PolarHBondContact O-N 3.35Å; R282-N285 PolarHBondContact O-N 3.01Å; R282-N285 VanDerWaalsContact O-N 3.15Å; R282-T286 PolarHBondContact O-N 3.16Å; R282-T286 PolarHBondContact O-OG1 3.36Å |
| 283 | L | 92.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58 | -42.7 | 177.2 | -171.5 | 68.1 | 0 | 0 | 0 | 111 | A234 L250 M253 L279 L280 H287 F292 F301 | A234-L283 HydrophobicContact CB-CB 4.39Å; A234-L283 HydrophobicContact CB-CD1 4.06Å; L250-L283 HydrophobicContact CD1-CD1 3.95Å; L250-L283 HydrophobicContact CD1-CD2 4.22Å; L250-L283 HydrophobicContact CD1-CG 4.03Å; M253-L283 HydrophobicContact CB-CD1 3.89Å; M253-L283 HydrophobicContact CB-CD2 4.26Å; M253-L283 HydrophobicContact CG-CD1 4.04Å; L279-L283 VanDerWaalsContact O-CB 3.26Å; L279-L283 WeakPolarHBondContact O-CB 3.43Å; L279-L283 PolarHBondContact O-N 3.34Å; L280-L283 PolarHBondContact O-N 3.34Å; L283-H287 PolarHBondContact O-CD2 2.92Å; L283-H287 PolarHBondContact O-N 3.19Å; L283-F292 HydrophobicContact CD2-CE1 4.26Å; L283-F292 HydrophobicContact CD2-CZ 4.35Å; L283-F292 HydrophobicContact CG-CE1 4.42Å; L283-F292 HydrophobicContact CG-CZ 4.02Å; L283-F301 HydrophobicContact CD2-CZ 4.28Å |
| 284 | K | 91.3 | Very high | 90.1 | Very high | 14 Ų | 14 | 21.4 Ų | 21.4 | 6% | 0.061 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -71.9 | -33.4 | 176.5 | -180 | 53.7 | 177 | 66.5 | 0 | 113.6 | L280 C281 R282 T286 F292 Y329 L332 M333 | L280-K284 PolarHBondContact O-N 3.13Å; L280-K284 VanDerWaalsContact O-N 3.1Å; C281-K284 PolarHBondContact O-N 2.88Å; R282-K284 VanDerWaalsContact C-N 3.27Å; R282-K284 PolarHBondContact O-N 3.35Å; K284-T286 VanDerWaalsContact C-N 3.35Å; K284-F292 HydrophobicContact CB-CZ 4.33Å; K284-F292 HydrophobicContact CD-CD2 4.21Å; K284-F292 HydrophobicContact CD-CE2 3.72Å; K284-F292 HydrophobicContact CD-CZ 4.24Å; K284-Y329 HydrophobicContact CB-CD2 3.8Å; K284-Y329 HydrophobicContact CB-CE2 3.94Å; K284-Y329 HydrophobicContact CG-CD2 4.43Å; K284-L332 VanDerWaalsContact CE-O 3.26Å; K284-L332 WeakPolarHBondContact CE-O 3.34Å; K284-L332 HydrophobicContact CG-CB 3.73Å; K284-L332 PolarHBondContact NZ-O 3.4Å; K284-M333 HydrophobicContact CB-SD 4.45Å; K284-M333 HydrophobicContact CD-CG 4.32Å; K284-M333 HydrophobicContact CD-SD 3.41Å; K284-M333 WeakPolarHBondContact CD-SD 3.41Å; K284-M333 VanDerWaalsContact CE-SD 3.56Å; K284-M333 HydrophobicContact CG-CG 4.15Å; K284-M333 HydrophobicContact CG-SD 3.84Å |
| 285 | N | 88.7 | Confident | 89.9 | Confident | 51 Ų | 51 | 20.1 Ų | 20.1 | 27% | 0.273 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -68.1 | -34.5 | 175 | -87.3 | -27.1 | 0 | 0 | 0 | 112.6 | C281 R282 L332 | C281-N285 PolarHBondContact O-N 3.34Å; R282-N285 PolarHBondContact O-N 3.01Å; R282-N285 VanDerWaalsContact O-N 3.15Å; N285-L332 WeakPolarHBondContact OD1-CD1 2.99Å |
| 286 | T | 87.4 | Confident | 89.7 | Confident | 10 Ų | 10 | 24.2 Ų | 24.2 | 6% | 0.061 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -74.8 | -34.2 | 179.7 | -57.1 | 0 | 0 | 0 | 0 | 112.9 | A234 I236 R282 K284 | A234-T286 WeakPolarHBondContact O-CB 3.26Å; A234-T286 PolarHBondContact O-OG1 2.99Å; I236-T286 WeakPolarHBondContact O-CG2 3.5Å; R282-T286 PolarHBondContact O-N 3.16Å; R282-T286 PolarHBondContact O-OG1 3.36Å; K284-T286 VanDerWaalsContact C-N 3.35Å |
| 287 | H | 87.7 | Confident | 89.5 | Confident | 7 Ų | 7 | 25 Ų | 25 | 3% | 0.032 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -115.1 | 142.8 | -170.5 | -69.1 | -85.2 | 0 | 0 | 0 | 113.7 | L250 L283 E291 F292 | L250-H287 HydrophobicContact CD1-CB 4.35Å; L250-H287 HydrophobicContact CD2-CB 4.24Å; L283-H287 PolarHBondContact O-CD2 2.92Å; L283-H287 PolarHBondContact O-N 3.19Å; H287-E291 IonicContact CG-OE2 2.7Å; H287-E291 IonicContact ND1-OE2 3.45Å; H287-E291 PolarHBondContact ND1-OE2 2.82Å; H287-F292 HydrophobicContact CB-CD2 4.23Å; H287-F292 HydrophobicContact CB-CE2 3.59Å; H287-F292 HydrophobicContact CB-CZ 4.35Å |
| 288 | Q | 87.3 | Confident | 89.3 | Confident | 93 Ų | 93 | 25.1 Ų | 25.1 | 44% | 0.435 | 16% | 0.16 | S | C | . | . | trans | -74.9 | 148.3 | 177.7 | -66.9 | -176.6 | -24.7 | 0 | 0 | 111.4 | S290 E291 F292 | Q288-S290 PolarHBondContact O-N 3.13Å; Q288-S290 VanDerWaalsContact O-N 3.14Å; Q288-E291 HydrophobicContact CB-CG 4.44Å; Q288-E291 WeakPolarHBondContact O-CB 3.36Å; Q288-E291 PolarHBondContact O-N 2.94Å; Q288-F292 WeakPolarHBondContact O-CD2 3.43Å; Q288-F292 PolarHBondContact O-N 3.3Å | ||
| 289 | L | 84.7 | Confident | 89.2 | Confident | 9 Ų | 9 | 27.6 Ų | 27.6 | 5% | 0.047 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.1 | -33.6 | 178.4 | -176.1 | 65.3 | 0 | 0 | 0 | 112.4 | E291 F292 T293 M333 C336 F340 L349 | L289-E291 PolarHBondContact O-N 2.95Å; L289-F292 HydrophobicContact CD1-CB 4.38Å; L289-F292 WeakPolarHBondContact O-CB 3.49Å; L289-F292 PolarHBondContact O-N 2.94Å; L289-T293 HydrophobicContact CD1-CG2 4.4Å; L289-T293 HydrophobicContact CG-CG2 4.21Å; L289-T293 WeakPolarHBondContact O-CG2 3.25Å; L289-T293 PolarHBondContact O-N 2.93Å; L289-T293 PolarHBondContact O-OG1 3.22Å; L289-M333 HydrophobicContact CD1-CE 4.02Å; L289-M333 HydrophobicContact CD1-SD 4.16Å; L289-C336 HydrophobicContact CB-CB 4.05Å; L289-C336 HydrophobicContact CD2-CB 3.43Å; L289-C336 VanDerWaalsContact CD2-CB 3.43Å; L289-C336 HydrophobicContact CG-CB 4.32Å; L289-F340 HydrophobicContact CD2-CD2 3.86Å; L289-F340 HydrophobicContact CD2-CE2 4.23Å; L289-F340 HydrophobicContact CG-CD2 4.34Å; L289-F340 HydrophobicContact CG-CE2 4.21Å; L289-L349 HydrophobicContact CD1-CD1 4.17Å; L289-L349 HydrophobicContact CD2-CD1 4.13Å |
| 290 | S | 84.1 | Confident | 89.1 | Confident | 61 Ų | 61 | 32.7 Ų | 32.7 | 43% | 0.427 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -56.9 | -36 | 174.7 | 49.3 | 0 | 0 | 0 | 0 | 113.1 | Q288 T293 G294 | Q288-S290 PolarHBondContact O-N 3.13Å; Q288-S290 VanDerWaalsContact O-N 3.14Å; S290-T293 WeakPolarHBondContact CA-OG1 3.29Å; S290-T293 PolarHBondContact O-OG1 2.87Å; S290-G294 PolarHBondContact O-N 3.48Å; S290-G294 VanDerWaalsContact O-N 3.14Å |
| 291 | E | 86.8 | Confident | 89.1 | Confident | 12 Ų | 12 | 32.7 Ų | 32.7 | 6% | 0.056 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.6 | -44.3 | 177.1 | -63.5 | 162 | -149.9 | 0 | 0 | 110.8 | R246 L250 H287 Q288 L289 T293 G294 A295 | R246-E291 WeakPolarHBondContact CD-OE2 3.23Å; R246-E291 IonicContact CZ-OE1 3.56Å; R246-E291 IonicContact CZ-OE2 3.61Å; R246-E291 IonicContact NE-OE1 3.87Å; R246-E291 PolarHBondContact NE-OE1 2.89Å; R246-E291 IonicContact NE-OE2 3.23Å; R246-E291 PolarHBondContact NE-OE2 3.47Å; R246-E291 IonicContact NH1-OE1 3.5Å; R246-E291 PolarHBondContact NH1-OE1 2.92Å; R246-E291 IonicContact NH1-OE2 3.6Å; R246-E291 IonicContact NH2-OE1 2.78Å; R246-E291 PolarHBondContact NH2-OE1 3.43Å; R246-E291 VanDerWaalsContact NH2-OE1 3.11Å; L250-E291 HydrophobicContact CD2-CB 3.67Å; H287-E291 IonicContact CG-OE2 2.7Å; H287-E291 IonicContact ND1-OE2 3.45Å; H287-E291 PolarHBondContact ND1-OE2 2.82Å; Q288-E291 HydrophobicContact CB-CG 4.44Å; Q288-E291 WeakPolarHBondContact O-CB 3.36Å; Q288-E291 PolarHBondContact O-N 2.94Å; L289-E291 PolarHBondContact O-N 2.95Å; E291-T293 PolarHBondContact O-N 3.24Å; E291-G294 PolarHBondContact O-N 3.35Å; E291-A295 PolarHBondContact O-N 3.28Å |
| 292 | F | 89.2 | Confident | 89.1 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.3 | -49.8 | 174.5 | -79 | -92.8 | 0 | 0 | 0 | 111.5 | L250 M254 L283 K284 H287 Q288 L289 G294 A295 F298 F301 | L250-F292 HydrophobicContact CD1-CD1 4.26Å; L250-F292 HydrophobicContact CD1-CE1 3.82Å; L250-F292 HydrophobicContact CD1-CE2 4.21Å; L250-F292 HydrophobicContact CD1-CZ 3.79Å; L250-F292 HydrophobicContact CD2-CD1 4.46Å; L250-F292 HydrophobicContact CD2-CD2 4.12Å; L250-F292 HydrophobicContact CD2-CE2 4.41Å; L250-F292 HydrophobicContact CD2-CG 4.16Å; M254-F292 HydrophobicContact CE-CD1 4.18Å; M254-F292 HydrophobicContact CG-CE1 4.48Å; M254-F292 HydrophobicContact SD-CD1 3.87Å; M254-F292 HydrophobicContact SD-CE1 4.35Å; L283-F292 HydrophobicContact CD2-CE1 4.26Å; L283-F292 HydrophobicContact CD2-CZ 4.35Å; L283-F292 HydrophobicContact CG-CE1 4.42Å; L283-F292 HydrophobicContact CG-CZ 4.02Å; K284-F292 HydrophobicContact CB-CZ 4.33Å; K284-F292 HydrophobicContact CD-CD2 4.21Å; K284-F292 HydrophobicContact CD-CE2 3.72Å; K284-F292 HydrophobicContact CD-CZ 4.24Å; H287-F292 HydrophobicContact CB-CD2 4.23Å; H287-F292 HydrophobicContact CB-CE2 3.59Å; H287-F292 HydrophobicContact CB-CZ 4.35Å; Q288-F292 WeakPolarHBondContact O-CD2 3.43Å; Q288-F292 PolarHBondContact O-N 3.3Å; L289-F292 HydrophobicContact CD1-CB 4.38Å; L289-F292 WeakPolarHBondContact O-CB 3.49Å; L289-F292 PolarHBondContact O-N 2.94Å; F292-G294 PolarHBondContact O-N 2.95Å; F292-A295 WeakPolarHBondContact O-CB 3.42Å; F292-A295 PolarHBondContact O-N 3.37Å; F292-F298 VanDerWaalsContact C-CD2 3.47Å; F292-F298 HydrophobicContact CB-CD2 3.88Å; F292-F298 HydrophobicContact CB-CE2 3.84Å; F292-F298 WeakPolarHBondContact O-CB 3.31Å; F292-F298 VanDerWaalsContact O-CD2 3.23Å; F292-F298 WeakPolarHBondContact O-CD2 3.46Å; F292-F301 HydrophobicContact CD1-CE1 4.29Å; F292-F301 HydrophobicContact CE1-CE1 4.02Å; F292-F301 HydrophobicContact CE1-CZ 4.31Å |
| 293 | T | 86.4 | Confident | 89.3 | Confident | 18 Ų | 18 | 34.6 Ų | 34.6 | 11% | 0.11 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.6 | -20.2 | -179.1 | 58.6 | 0 | 0 | 0 | 0 | 113.8 | L289 S290 E291 A295 F298 F340 N345 | L289-T293 HydrophobicContact CD1-CG2 4.4Å; L289-T293 HydrophobicContact CG-CG2 4.21Å; L289-T293 WeakPolarHBondContact O-CG2 3.25Å; L289-T293 PolarHBondContact O-N 2.93Å; L289-T293 PolarHBondContact O-OG1 3.22Å; S290-T293 WeakPolarHBondContact CA-OG1 3.29Å; S290-T293 PolarHBondContact O-OG1 2.87Å; E291-T293 PolarHBondContact O-N 3.24Å; T293-A295 VanDerWaalsContact C-N 3.34Å; T293-F298 HydrophobicContact CG2-CE1 4.13Å; T293-F298 HydrophobicContact CG2-CE2 4.15Å; T293-F298 HydrophobicContact CG2-CZ 3.88Å; T293-F340 HydrophobicContact CG2-CE1 4.05Å; T293-F340 HydrophobicContact CG2-CE2 4.11Å; T293-F340 HydrophobicContact CG2-CZ 3.63Å; T293-F340 WeakPolarHBondContact OG1-CZ 3.24Å; T293-N345 WeakPolarHBondContact CB-ND2 3.26Å; T293-N345 HydrophobicContact CG2-CB 4.05Å; T293-N345 PolarHBondContact O-ND2 2.93Å |
| 294 | G | 85.2 | Confident | 89.3 | Confident | 61 Ų | 61 | 37.6 Ų | 37.6 | 63% | 0.629 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -80.3 | -14.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S290 E291 F292 | S290-G294 PolarHBondContact O-N 3.48Å; S290-G294 VanDerWaalsContact O-N 3.14Å; E291-G294 PolarHBondContact O-N 3.35Å; F292-G294 PolarHBondContact O-N 2.95Å |
| 295 | A | 87.6 | Confident | 89.5 | Confident | 11 Ų | 11 | 36.9 Ų | 36.9 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -75.4 | 137.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L251 M254 E291 F292 T293 C297 F298 | L251-A295 HydrophobicContact CD1-CB 4.24Å; M254-A295 HydrophobicContact CE-CB 3.93Å; M254-A295 HydrophobicContact SD-CB 3.79Å; E291-A295 PolarHBondContact O-N 3.28Å; F292-A295 WeakPolarHBondContact O-CB 3.42Å; F292-A295 PolarHBondContact O-N 3.37Å; T293-A295 VanDerWaalsContact C-N 3.34Å; A295-C297 PolarHBondContact O-N 2.81Å; A295-F298 WeakPolarHBondContact O-CB 3.35Å; A295-F298 PolarHBondContact O-N 3.18Å |
| 296 | S | 87.9 | Confident | 89.8 | Confident | 110 Ų | 110 | 34.6 Ų | 34.6 | 77% | 0.769 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -26.7 | 179.8 | 51.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 297 | C | 91.5 | Very high | 90.1 | Very high | 17 Ų | 17 | 38.2 Ų | 38.2 | 12% | 0.115 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 7 | -178.4 | 66.6 | 0 | 0 | 0 | 0 | 114.2 | L251 I258 A295 D299 K300 F301 | L251-C297 VanDerWaalsContact CD1-SG 3.57Å; I258-C297 HydrophobicContact CD1-CB 3.73Å; A295-C297 PolarHBondContact O-N 2.81Å; C297-D299 PolarHBondContact O-N 2.92Å; C297-K300 PolarHBondContact O-N 3.16Å; C297-F301 WeakPolarHBondContact O-CB 3.38Å; C297-F301 PolarHBondContact O-N 3.46Å |
| 298 | F | 91.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -53.3 | -51.3 | -174.5 | 178.9 | -105.3 | 0 | 0 | 0 | 114.2 | M254 F292 T293 A295 K300 F301 V302 M333 N345 L349 | M254-F298 HydrophobicContact CE-CB 4.39Å; M254-F298 HydrophobicContact CE-CD2 4.35Å; F292-F298 VanDerWaalsContact C-CD2 3.47Å; F292-F298 HydrophobicContact CB-CD2 3.88Å; F292-F298 HydrophobicContact CB-CE2 3.84Å; F292-F298 WeakPolarHBondContact O-CB 3.31Å; F292-F298 VanDerWaalsContact O-CD2 3.23Å; F292-F298 WeakPolarHBondContact O-CD2 3.46Å; T293-F298 HydrophobicContact CG2-CE1 4.13Å; T293-F298 HydrophobicContact CG2-CE2 4.15Å; T293-F298 HydrophobicContact CG2-CZ 3.88Å; A295-F298 WeakPolarHBondContact O-CB 3.35Å; A295-F298 PolarHBondContact O-N 3.18Å; F298-K300 VanDerWaalsContact C-N 3.31Å; F298-K300 PolarHBondContact O-N 3.19Å; F298-F301 WeakPolarHBondContact O-CB 3.36Å; F298-F301 PolarHBondContact O-N 3.46Å; F298-F301 VanDerWaalsContact O-N 3.12Å; F298-V302 HydrophobicContact CD1-CG2 4.43Å; F298-V302 HydrophobicContact CD2-CG2 4.14Å; F298-V302 HydrophobicContact CE1-CG2 3.99Å; F298-V302 HydrophobicContact CE2-CG2 3.68Å; F298-V302 HydrophobicContact CZ-CG2 3.59Å; F298-V302 WeakPolarHBondContact O-CG2 3.29Å; F298-V302 PolarHBondContact O-N 3.08Å; F298-M333 HydrophobicContact CE2-CE 4.17Å; F298-N345 HydrophobicContact CD1-CB 4.05Å; F298-N345 HydrophobicContact CE1-CB 3.75Å; F298-L349 HydrophobicContact CE1-CG 4.31Å; F298-L349 HydrophobicContact CZ-CD1 3.89Å; F298-L349 HydrophobicContact CZ-CD2 3.95Å; F298-L349 HydrophobicContact CZ-CG 3.8Å |
| 299 | D | 90 | Very high | 90.8 | Very high | 70 Ų | 70 | 34 Ų | 34 | 37% | 0.374 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.7 | -44.3 | -178.4 | -67.5 | -26.5 | 0 | 0 | 0 | 111.1 | C297 F301 V302 D303 | C297-D299 PolarHBondContact O-N 2.92Å; D299-F301 PolarHBondContact O-N 2.97Å; D299-V302 PolarHBondContact O-N 3.32Å; D299-D303 WeakPolarHBondContact O-CB 3.49Å; D299-D303 PolarHBondContact O-N 3.04Å |
| 300 | K | 93 | Very high | 91.2 | Very high | 111 Ų | 111 | 35.4 Ų | 35.4 | 48% | 0.483 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.7 | -38.4 | 176.8 | -172 | -178.8 | 179.4 | -166.3 | 0 | 111.8 | I258 C297 F298 K304 | I258-K300 HydrophobicContact CD1-CB 4.36Å; I258-K300 HydrophobicContact CD1-CD 4.42Å; I258-K300 HydrophobicContact CD1-CG 4.35Å; I258-K300 HydrophobicContact CG2-CD 3.82Å; I258-K300 HydrophobicContact CG2-CG 4.19Å; C297-K300 PolarHBondContact O-N 3.16Å; F298-K300 VanDerWaalsContact C-N 3.31Å; F298-K300 PolarHBondContact O-N 3.19Å; K300-K304 HydrophobicContact CG-CG 4.4Å; K300-K304 WeakPolarHBondContact O-CB 3.34Å; K300-K304 VanDerWaalsContact O-CG 3.24Å; K300-K304 WeakPolarHBondContact O-CG 3.47Å; K300-K304 PolarHBondContact O-N 3.35Å |
| 301 | F | 94.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.4 | -48.1 | 176.7 | -178.2 | -95.9 | 0 | 0 | 0 | 111.1 | M254 V257 I258 L280 L283 F292 C297 F298 D299 K304 T305 Y329 | M254-F301 HydrophobicContact CB-CD2 3.77Å; M254-F301 HydrophobicContact CB-CE2 4.09Å; M254-F301 HydrophobicContact CB-CG 4.46Å; M254-F301 HydrophobicContact CE-CB 3.64Å; M254-F301 HydrophobicContact CE-CD1 3.99Å; M254-F301 HydrophobicContact CE-CD2 4.15Å; M254-F301 HydrophobicContact CE-CG 3.68Å; M254-F301 HydrophobicContact CG-CD2 3.82Å; M254-F301 HydrophobicContact CG-CE2 3.85Å; M254-F301 HydrophobicContact CG-CG 4.28Å; M254-F301 HydrophobicContact CG-CZ 4.32Å; V257-F301 HydrophobicContact CB-CD2 4.39Å; V257-F301 HydrophobicContact CB-CE2 3.78Å; V257-F301 HydrophobicContact CG1-CD2 4.15Å; V257-F301 HydrophobicContact CG1-CE2 3.52Å; V257-F301 HydrophobicContact CG1-CZ 4.32Å; V257-F301 HydrophobicContact CG2-CE2 4.33Å; I258-F301 HydrophobicContact CD1-CB 3.96Å; I258-F301 HydrophobicContact CD1-CD2 4.42Å; I258-F301 HydrophobicContact CG1-CB 4.18Å; I258-F301 HydrophobicContact CG1-CD2 4.11Å; L280-F301 HydrophobicContact CD2-CZ 4.14Å; L283-F301 HydrophobicContact CD2-CZ 4.28Å; F292-F301 HydrophobicContact CD1-CE1 4.29Å; F292-F301 HydrophobicContact CE1-CE1 4.02Å; F292-F301 HydrophobicContact CE1-CZ 4.31Å; C297-F301 WeakPolarHBondContact O-CB 3.38Å; C297-F301 PolarHBondContact O-N 3.46Å; F298-F301 WeakPolarHBondContact O-CB 3.36Å; F298-F301 PolarHBondContact O-N 3.46Å; F298-F301 VanDerWaalsContact O-N 3.12Å; D299-F301 PolarHBondContact O-N 2.97Å; F301-K304 PolarHBondContact O-N 3.48Å; F301-T305 HydrophobicContact CD1-CG2 4.36Å; F301-T305 HydrophobicContact CE1-CG2 4.09Å; F301-T305 HydrophobicContact CE2-CG2 4.3Å; F301-T305 HydrophobicContact CZ-CG2 4.05Å; F301-T305 WeakPolarHBondContact O-CB 2.94Å; F301-T305 WeakPolarHBondContact O-CG2 3.36Å; F301-T305 PolarHBondContact O-N 3.05Å; F301-T305 PolarHBondContact O-OG1 3.28Å; F301-Y329 WeakPolarHBondContact CE1-OH 3.31Å |
| 302 | V | 93.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64 | -46.1 | 178.3 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | F298 D299 K304 T305 A306 W330 M333 L349 A352 | F298-V302 HydrophobicContact CD1-CG2 4.43Å; F298-V302 HydrophobicContact CD2-CG2 4.14Å; F298-V302 HydrophobicContact CE1-CG2 3.99Å; F298-V302 HydrophobicContact CE2-CG2 3.68Å; F298-V302 HydrophobicContact CZ-CG2 3.59Å; F298-V302 WeakPolarHBondContact O-CG2 3.29Å; F298-V302 PolarHBondContact O-N 3.08Å; D299-V302 PolarHBondContact O-N 3.32Å; V302-K304 PolarHBondContact O-N 2.82Å; V302-T305 WeakPolarHBondContact CA-OG1 3.1Å; V302-T305 PolarHBondContact O-N 2.93Å; V302-T305 PolarHBondContact O-OG1 2.81Å; V302-T305 VanDerWaalsContact O-OG1 3.07Å; V302-A306 VanDerWaalsContact O-CB 3.23Å; V302-A306 WeakPolarHBondContact O-CB 3.49Å; V302-A306 PolarHBondContact O-N 3.2Å; V302-W330 HydrophobicContact CG1-CH2 4.49Å; V302-M333 HydrophobicContact CG2-CE 4.42Å; V302-L349 HydrophobicContact CG1-CD2 4.1Å; V302-L349 HydrophobicContact CG2-CD2 3.9Å; V302-A352 HydrophobicContact CG1-CB 3.67Å |
| 303 | D | 93.7 | Very high | 91.9 | Very high | 67 Ų | 67 | 39.5 Ų | 39.5 | 36% | 0.358 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.4 | -45.4 | 178.1 | -80.2 | -28.3 | 0 | 0 | 0 | 111.2 | D299 A306 D307 K351 | D299-D303 WeakPolarHBondContact O-CB 3.49Å; D299-D303 PolarHBondContact O-N 3.04Å; D303-A306 PolarHBondContact O-N 3.48Å; D303-D307 PolarHBondContact O-N 2.85Å; D303-K351 IonicContact OD1-NZ 3.77Å |
| 304 | K | 94.3 | Very high | 91.9 | Very high | 64 Ų | 64 | 42 Ų | 42 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.6 | -41.8 | -179.4 | -71.1 | -65.4 | 178.2 | -169 | 0 | 113.3 | L261 S262 K300 F301 V302 A306 D307 F308 | L261-K304 HydrophobicContact CB-CB 4.17Å; L261-K304 HydrophobicContact CD1-CB 3.91Å; S262-K304 WeakPolarHBondContact OG-CE 3.38Å; K300-K304 HydrophobicContact CG-CG 4.4Å; K300-K304 WeakPolarHBondContact O-CB 3.34Å; K300-K304 VanDerWaalsContact O-CG 3.24Å; K300-K304 WeakPolarHBondContact O-CG 3.47Å; K300-K304 PolarHBondContact O-N 3.35Å; F301-K304 PolarHBondContact O-N 3.48Å; V302-K304 PolarHBondContact O-N 2.82Å; K304-A306 VanDerWaalsContact C-N 3.34Å; K304-D307 PolarHBondContact O-N 3.05Å; K304-F308 WeakPolarHBondContact O-CB 3.21Å; K304-F308 PolarHBondContact O-N 3.1Å |
| 305 | T | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.6 | -36.1 | 176.6 | 50.3 | 0 | 0 | 0 | 0 | 111.2 | V257 L261 L280 F301 V302 F308 S309 | V257-T305 HydrophobicContact CG1-CG2 4.35Å; L261-T305 HydrophobicContact CD1-CG2 4.04Å; L280-T305 HydrophobicContact CD1-CG2 4.28Å; L280-T305 HydrophobicContact CD2-CG2 3.93Å; F301-T305 HydrophobicContact CD1-CG2 4.36Å; F301-T305 HydrophobicContact CE1-CG2 4.09Å; F301-T305 HydrophobicContact CE2-CG2 4.3Å; F301-T305 HydrophobicContact CZ-CG2 4.05Å; F301-T305 WeakPolarHBondContact O-CB 2.94Å; F301-T305 WeakPolarHBondContact O-CG2 3.36Å; F301-T305 PolarHBondContact O-N 3.05Å; F301-T305 PolarHBondContact O-OG1 3.28Å; V302-T305 WeakPolarHBondContact CA-OG1 3.1Å; V302-T305 PolarHBondContact O-N 2.93Å; V302-T305 PolarHBondContact O-OG1 2.81Å; V302-T305 VanDerWaalsContact O-OG1 3.07Å; T305-F308 PolarHBondContact O-N 2.68Å; T305-S309 WeakPolarHBondContact O-CB 3.48Å; T305-S309 PolarHBondContact O-N 3.46Å; T305-S309 PolarHBondContact O-OG 3.01Å |
| 306 | A | 94 | Very high | 91.7 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 3% | 0.025 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.9 | -48.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V302 D303 K304 F308 S309 V310 W330 A352 | V302-A306 VanDerWaalsContact O-CB 3.23Å; V302-A306 WeakPolarHBondContact O-CB 3.49Å; V302-A306 PolarHBondContact O-N 3.2Å; D303-A306 PolarHBondContact O-N 3.48Å; K304-A306 VanDerWaalsContact C-N 3.34Å; A306-F308 VanDerWaalsContact C-N 3.31Å; A306-F308 PolarHBondContact O-N 3.36Å; A306-S309 WeakPolarHBondContact O-CB 3.23Å; A306-S309 PolarHBondContact O-N 3.27Å; A306-V310 WeakPolarHBondContact O-CG2 3.5Å; A306-V310 PolarHBondContact O-N 3.25Å; A306-W330 HydrophobicContact CB-CH2 4.15Å; A306-W330 HydrophobicContact CB-CZ2 4.17Å; A306-A352 HydrophobicContact CB-CB 4.35Å |
| 307 | D | 94.2 | Very high | 91.3 | Very high | 86 Ų | 86 | 45.5 Ų | 45.5 | 46% | 0.46 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -56.6 | -44 | 175.8 | -76.5 | -15.6 | 0 | 0 | 0 | 112.1 | D303 K304 S309 K311 | D303-D307 PolarHBondContact O-N 2.85Å; K304-D307 PolarHBondContact O-N 3.05Å; D307-S309 VanDerWaalsContact C-N 3.33Å; D307-K311 WeakPolarHBondContact O-CG 3.47Å; D307-K311 PolarHBondContact O-N 3.24Å |
| 308 | F | 94.9 | Very high | 91 | Very high | 11 Ų | 11 | 46 Ų | 46 | 5% | 0.048 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.7 | -41.7 | 174.9 | 173.2 | -98.8 | 0 | 0 | 0 | 111.8 | L261 V266 F276 K304 T305 A306 K311 S312 | L261-F308 HydrophobicContact CD1-CB 4.29Å; L261-F308 HydrophobicContact CD2-CB 3.79Å; L261-F308 HydrophobicContact CD2-CD2 3.67Å; L261-F308 HydrophobicContact CD2-CE2 4.49Å; L261-F308 HydrophobicContact CD2-CG 3.81Å; V266-F308 HydrophobicContact CG1-CD2 3.92Å; V266-F308 HydrophobicContact CG1-CE2 4.13Å; F276-F308 HydrophobicContact CD1-CD1 4.17Å; F276-F308 AromaticContact CD1-CE1 3.59Å; F276-F308 HydrophobicContact CD1-CE1 3.59Å; F276-F308 HydrophobicContact CD1-CE2 4.22Å; F276-F308 AromaticContact CD1-CZ 3.62Å; F276-F308 HydrophobicContact CD1-CZ 3.62Å; F276-F308 AromaticContact CE1-CD1 3.89Å; F276-F308 HydrophobicContact CE1-CD1 3.89Å; F276-F308 HydrophobicContact CE1-CD2 4.43Å; F276-F308 AromaticContact CE1-CE1 3.8Å; F276-F308 HydrophobicContact CE1-CE1 3.8Å; F276-F308 HydrophobicContact CE1-CE2 4.35Å; F276-F308 HydrophobicContact CE1-CG 4.21Å; F276-F308 HydrophobicContact CE1-CZ 4.04Å; K304-F308 WeakPolarHBondContact O-CB 3.21Å; K304-F308 PolarHBondContact O-N 3.1Å; T305-F308 PolarHBondContact O-N 2.68Å; A306-F308 VanDerWaalsContact C-N 3.31Å; A306-F308 PolarHBondContact O-N 3.36Å; F308-K311 PolarHBondContact O-N 3.38Å; F308-S312 WeakPolarHBondContact CE1-OG 3.41Å; F308-S312 WeakPolarHBondContact CZ-OG 3.3Å; F308-S312 VanDerWaalsContact O-CB 3.29Å; F308-S312 WeakPolarHBondContact O-CB 3.48Å; F308-S312 PolarHBondContact O-N 3.28Å; F308-S312 PolarHBondContact O-OG 3.39Å |
| 309 | S | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.9 | -44.2 | -178.7 | -55.5 | 0 | 0 | 0 | 0 | 112.1 | T305 A306 D307 K311 S312 F313 L326 W330 | T305-S309 WeakPolarHBondContact O-CB 3.48Å; T305-S309 PolarHBondContact O-N 3.46Å; T305-S309 PolarHBondContact O-OG 3.01Å; A306-S309 WeakPolarHBondContact O-CB 3.23Å; A306-S309 PolarHBondContact O-N 3.27Å; D307-S309 VanDerWaalsContact C-N 3.33Å; S309-K311 PolarHBondContact O-N 3.08Å; S309-S312 WeakPolarHBondContact O-CB 3.35Å; S309-S312 PolarHBondContact O-N 2.96Å; S309-F313 WeakPolarHBondContact O-CD2 3.31Å; S309-F313 WeakPolarHBondContact O-CG 3.28Å; S309-F313 PolarHBondContact O-N 2.89Å; S309-L326 WeakPolarHBondContact OG-CD1 3.29Å; S309-W330 PolarHBondContact OG-NE1 3.18Å |
| 310 | V | 93.9 | Very high | 90.2 | Very high | 38 Ų | 38 | 47.3 Ų | 47.3 | 23% | 0.23 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.7 | -48.3 | 175.7 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | A306 S312 F313 M314 I355 A359 | A306-V310 WeakPolarHBondContact O-CG2 3.5Å; A306-V310 PolarHBondContact O-N 3.25Å; V310-S312 VanDerWaalsContact C-N 3.33Å; V310-S312 PolarHBondContact O-N 2.89Å; V310-F313 PolarHBondContact O-N 3.47Å; V310-M314 WeakPolarHBondContact O-CG 3.48Å; V310-M314 PolarHBondContact O-N 3.23Å; V310-I355 HydrophobicContact CG2-CG2 3.6Å; V310-A359 HydrophobicContact CB-CB 4.08Å; V310-A359 HydrophobicContact CG1-CB 3.84Å; V310-A359 HydrophobicContact CG2-CB 3.7Å |
| 311 | K | 92.1 | Very high | 89.7 | Confident | 147 Ų | 147 | 43.5 Ų | 43.5 | 64% | 0.639 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -62.4 | -40.4 | 177.4 | -70.3 | 174.5 | -176.7 | 177.8 | 0 | 112.3 | D307 F308 S309 M314 T315 | D307-K311 WeakPolarHBondContact O-CG 3.47Å; D307-K311 PolarHBondContact O-N 3.24Å; F308-K311 PolarHBondContact O-N 3.38Å; S309-K311 PolarHBondContact O-N 3.08Å; K311-M314 PolarHBondContact O-N 2.78Å; K311-T315 PolarHBondContact O-N 2.95Å; K311-T315 PolarHBondContact O-OG1 2.85Å |
| 312 | S | 91.5 | Very high | 89.3 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 4% | 0.035 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.2 | -43.6 | 178.5 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | F308 S309 V310 M314 T315 F318 | F308-S312 WeakPolarHBondContact CE1-OG 3.41Å; F308-S312 WeakPolarHBondContact CZ-OG 3.3Å; F308-S312 VanDerWaalsContact O-CB 3.29Å; F308-S312 WeakPolarHBondContact O-CB 3.48Å; F308-S312 PolarHBondContact O-N 3.28Å; F308-S312 PolarHBondContact O-OG 3.39Å; S309-S312 WeakPolarHBondContact O-CB 3.35Å; S309-S312 PolarHBondContact O-N 2.96Å; V310-S312 VanDerWaalsContact C-N 3.33Å; V310-S312 PolarHBondContact O-N 2.89Å; S312-M314 VanDerWaalsContact C-N 3.32Å; S312-M314 PolarHBondContact O-N 3.44Å; S312-T315 WeakPolarHBondContact O-CB 3.33Å; S312-T315 PolarHBondContact O-N 2.97Å; S312-F318 VanDerWaalsContact CB-CE2 3.42Å; S312-F318 WeakPolarHBondContact OG-CE2 3.45Å |
| 313 | F | 90.7 | Very high | 89.1 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -38.4 | 176.7 | -64.6 | -21.3 | 0 | 0 | 0 | 112.8 | S309 V310 T315 L323 L326 L327 I356 A359 F360 S363 | S309-F313 WeakPolarHBondContact O-CD2 3.31Å; S309-F313 WeakPolarHBondContact O-CG 3.28Å; S309-F313 PolarHBondContact O-N 2.89Å; V310-F313 PolarHBondContact O-N 3.47Å; F313-T315 VanDerWaalsContact C-N 3.26Å; F313-T315 PolarHBondContact O-N 3.42Å; F313-L323 HydrophobicContact CD1-CD1 3.7Å; F313-L323 HydrophobicContact CE1-CD1 3.59Å; F313-L326 HydrophobicContact CD1-CD2 4.17Å; F313-L326 HydrophobicContact CE1-CD2 3.61Å; F313-L326 HydrophobicContact CE1-CG 4.21Å; F313-L326 HydrophobicContact CZ-CD2 4.26Å; F313-L327 HydrophobicContact CE1-CD2 4.05Å; F313-L327 HydrophobicContact CZ-CD2 3.81Å; F313-I356 HydrophobicContact CE2-CG2 3.79Å; F313-I356 HydrophobicContact CZ-CG2 4.15Å; F313-A359 HydrophobicContact CD2-CB 4.1Å; F313-F360 HydrophobicContact CD2-CB 4.23Å; F313-F360 HydrophobicContact CE1-CD2 4.46Å; F313-F360 HydrophobicContact CE2-CB 4.1Å; F313-F360 HydrophobicContact CE2-CD2 4.38Å; F313-F360 HydrophobicContact CZ-CD2 4.33Å; F313-S363 VanDerWaalsContact O-CB 3.26Å; F313-S363 WeakPolarHBondContact O-CB 3.48Å |
| 314 | M | 87.7 | Confident | 88.9 | Confident | 71 Ų | 71 | 42.8 Ų | 42.8 | 35% | 0.35 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -8.1 | 179.1 | -62.8 | -60.3 | -170.8 | 0 | 0 | 113.7 | V310 K311 S312 E362 | V310-M314 WeakPolarHBondContact O-CG 3.48Å; V310-M314 PolarHBondContact O-N 3.23Å; K311-M314 PolarHBondContact O-N 2.78Å; S312-M314 VanDerWaalsContact C-N 3.32Å; S312-M314 PolarHBondContact O-N 3.44Å; M314-E362 HydrophobicContact CE-CB 3.83Å |
| 315 | T | 87.5 | Confident | 88.7 | Confident | 69 Ų | 69 | 42.7 Ų | 42.7 | 42% | 0.423 | 23% | 0.231 | S | C | . | . | trans | -81.4 | 121.9 | 179.2 | -60.5 | 0 | 0 | 0 | 0 | 110.1 | K311 S312 F313 D317 F318 | K311-T315 PolarHBondContact O-N 2.95Å; K311-T315 PolarHBondContact O-OG1 2.85Å; S312-T315 WeakPolarHBondContact O-CB 3.33Å; S312-T315 PolarHBondContact O-N 2.97Å; F313-T315 VanDerWaalsContact C-N 3.26Å; F313-T315 PolarHBondContact O-N 3.42Å; T315-D317 PolarHBondContact O-N 2.92Å; T315-F318 HydrophobicContact CG2-CB 4.43Å; T315-F318 PolarHBondContact O-N 3.16Å | ||
| 316 | V | 79.1 | Confident | 88.6 | Confident | 48 Ų | 48 | 42.7 Ų | 42.7 | 29% | 0.291 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -38 | -174.6 | -177.6 | 0 | 0 | 0 | 0 | 112.1 | F318 R367 V370 L371 | V316-F318 PolarHBondContact O-N 2.88Å; V316-R367 VanDerWaalsContact O-CZ 3.28Å; V316-R367 PolarHBondContact O-NH1 2.97Å; V316-R367 PolarHBondContact O-NH2 3.46Å; V316-V370 HydrophobicContact CG1-CG1 4.09Å; V316-V370 HydrophobicContact CG2-CG1 3.99Å; V316-V370 HydrophobicContact CG2-CG2 4.5Å; V316-L371 HydrophobicContact CG1-CD2 4.25Å |
| 317 | D | 80.9 | Confident | 88.5 | Confident | 138 Ų | 138 | 42.5 Ų | 42.5 | 74% | 0.738 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100 | 29.6 | -177.8 | -59.5 | -43.5 | 0 | 0 | 0 | 112.9 | T315 | T315-D317 PolarHBondContact O-N 2.92Š|
| 318 | F | 84.5 | Confident | 88.3 | Confident | 27 Ų | 27 | 38.5 Ų | 38.5 | 12% | 0.118 | 21% | 0.208 | C | C | . | . | trans | -69.6 | 133.9 | 178.8 | -163.1 | -99.1 | 0 | 0 | 0 | 111.5 | S312 T315 V316 L323 | S312-F318 VanDerWaalsContact CB-CE2 3.42Å; S312-F318 WeakPolarHBondContact OG-CE2 3.45Å; T315-F318 HydrophobicContact CG2-CB 4.43Å; T315-F318 PolarHBondContact O-N 3.16Å; V316-F318 PolarHBondContact O-N 2.88Å; F318-L323 HydrophobicContact CD1-CB 4.01Å; F318-L323 HydrophobicContact CE1-CB 4.11Å | ||
| 319 | P | 82.8 | Confident | 88.3 | Confident | 20 Ų | 20 | 38 Ų | 38 | 13% | 0.13 | 21% | 0.206 | C | C | . | . | trans | -63.6 | 131.4 | -175.8 | 27.2 | -38.4 | 0 | 0 | 0 | 111.8 | P270 H274 G321 G322 L323 | P270-P319 WeakPolarHBondContact O-CG 3.39Å; H274-P319 HydrophobicContact CB-CB 4.49Å; H274-P319 HydrophobicContact CB-CG 4.16Å; P319-G321 VanDerWaalsContact C-N 3.3Å; P319-G321 PolarHBondContact O-N 3.4Å; P319-G322 PolarHBondContact O-N 3.09Å; P319-L323 PolarHBondContact O-N 3.22Å | ||
| 320 | P | 81.4 | Confident | 88.2 | Confident | 80 Ų | 80 | 38 Ų | 38 | 52% | 0.519 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.4 | -35.6 | -177.9 | 23.8 | -33.3 | 0 | 0 | 0 | 112.6 | L323 H324 L384 | P320-L323 WeakPolarHBondContact O-CB 3.49Å; P320-L323 PolarHBondContact O-N 3.27Å; P320-H324 PolarHBondContact O-N 3.35Å; P320-L384 HydrophobicContact CB-CD2 4.11Å |
| 321 | G | 83.4 | Confident | 87.9 | Confident | 30 Ų | 30 | 37.9 Ų | 37.9 | 31% | 0.309 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.1 | -36.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | H274 P319 L323 H324 Y325 | H274-G321 VanDerWaalsContact ND1-C 3.34Å; P319-G321 VanDerWaalsContact C-N 3.3Å; P319-G321 PolarHBondContact O-N 3.4Å; G321-L323 VanDerWaalsContact C-N 3.34Å; G321-H324 PolarHBondContact O-N 3.16Å; G321-Y325 WeakPolarHBondContact O-CD2 3.4Å; G321-Y325 PolarHBondContact O-N 3.49Å |
| 322 | G | 86.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.1 | -40.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | H274 C277 P319 H324 Y325 L326 | H274-G322 PolarHBondContact ND1-N 3.17Å; H274-G322 VanDerWaalsContact ND1-N 3.14Å; C277-G322 WeakPolarHBondContact CB-O 3.15Å; P319-G322 PolarHBondContact O-N 3.09Å; G322-H324 PolarHBondContact O-N 3.31Å; G322-Y325 PolarHBondContact O-N 2.84Å; G322-L326 WeakPolarHBondContact O-CB 3.21Å; G322-L326 PolarHBondContact O-N 3.11Å |
| 323 | L | 89.2 | Confident | 87.5 | Confident | 16 Ų | 16 | 32.2 Ų | 32.2 | 8% | 0.084 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.2 | -44.9 | 176.4 | 170.8 | 68.2 | 0 | 0 | 0 | 111.4 | F313 F318 P319 P320 G321 Y325 L326 L327 R364 | F313-L323 HydrophobicContact CD1-CD1 3.7Å; F313-L323 HydrophobicContact CE1-CD1 3.59Å; F318-L323 HydrophobicContact CD1-CB 4.01Å; F318-L323 HydrophobicContact CE1-CB 4.11Å; P319-L323 PolarHBondContact O-N 3.22Å; P320-L323 WeakPolarHBondContact O-CB 3.49Å; P320-L323 PolarHBondContact O-N 3.27Å; G321-L323 VanDerWaalsContact C-N 3.34Å; L323-Y325 PolarHBondContact O-N 3Å; L323-L326 PolarHBondContact O-N 3.21Å; L323-L327 HydrophobicContact CD1-CD1 3.98Å; L323-L327 HydrophobicContact CD1-CG 4Å; L323-L327 HydrophobicContact CG-CD1 4.02Å; L323-L327 HydrophobicContact CG-CG 4.41Å; L323-L327 WeakPolarHBondContact O-CB 3.42Å; L323-L327 VanDerWaalsContact O-CG 3.31Å; L323-L327 WeakPolarHBondContact O-CG 3.4Å; L323-L327 PolarHBondContact O-N 2.96Å; L323-R364 VanDerWaalsContact CD1-NH2 3.33Å |
| 324 | H | 88.9 | Confident | 87.3 | Confident | 37 Ų | 37 | 31.9 Ų | 31.9 | 17% | 0.171 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.2 | -47.4 | 176.5 | 171.7 | 75.3 | 0 | 0 | 0 | 111.8 | E189 P320 G321 G322 L326 L327 A328 Q391 | E189-H324 IonicContact OE1-CE1 3.62Å; E189-H324 IonicContact OE1-NE2 3.81Å; P320-H324 PolarHBondContact O-N 3.35Å; G321-H324 PolarHBondContact O-N 3.16Å; G322-H324 PolarHBondContact O-N 3.31Å; H324-L326 VanDerWaalsContact C-N 3.34Å; H324-L326 PolarHBondContact O-N 3.42Å; H324-L327 PolarHBondContact O-N 3.25Å; H324-A328 WeakPolarHBondContact O-CB 3.18Å; H324-A328 PolarHBondContact O-N 3.48Å; H324-Q391 PolarHBondContact CE1-NE2 3.1Å; H324-Q391 VanDerWaalsContact CE1-NE2 3.34Å; H324-Q391 PolarHBondContact ND1-NE2 3.13Å; H324-Q391 PolarHBondContact O-NE2 2.91Å |
| 325 | Y | 90.8 | Very high | 86.9 | Confident | 62 Ų | 62 | 30.2 Ų | 30.2 | 24% | 0.243 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.1 | -33.9 | 176.7 | -67.7 | -49.5 | 0 | 0 | 0 | 113.5 | H274 L278 C281 G321 G322 L323 Y329 | H274-Y325 AromaticContact CE1-CD2 3.77Å; H274-Y325 AromaticContact CE1-CE2 3.42Å; H274-Y325 VanDerWaalsContact CE1-CE2 3.42Å; H274-Y325 WeakPolarHBondContact CE1-CE2 3.39Å; H274-Y325 AromaticContact NE2-CE2 3.85Å; L278-Y325 HydrophobicContact CB-CD2 3.88Å; L278-Y325 HydrophobicContact CB-CE2 4.19Å; L278-Y325 HydrophobicContact CB-CG 4.33Å; L278-Y325 HydrophobicContact CD1-CD1 3.98Å; L278-Y325 HydrophobicContact CD1-CD2 4Å; L278-Y325 HydrophobicContact CD1-CE1 3.8Å; L278-Y325 HydrophobicContact CD1-CE2 3.77Å; L278-Y325 HydrophobicContact CD1-CG 4.1Å; L278-Y325 HydrophobicContact CD2-CE2 4.49Å; L278-Y325 HydrophobicContact CG-CD2 4.46Å; L278-Y325 HydrophobicContact CG-CE2 4.37Å; C281-Y325 HydrophobicContact CB-CD1 4.5Å; G321-Y325 WeakPolarHBondContact O-CD2 3.4Å; G321-Y325 PolarHBondContact O-N 3.49Å; G322-Y325 PolarHBondContact O-N 2.84Å; L323-Y325 PolarHBondContact O-N 3Å; Y325-Y329 WeakPolarHBondContact O-CB 3.25Å; Y325-Y329 PolarHBondContact O-N 3.43Å |
| 326 | L | 93.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.3 | -42.5 | 177.4 | -172.9 | 60.5 | 0 | 0 | 0 | 111.8 | C277 L280 S309 F313 G322 L323 H324 Y329 W330 | C277-L326 HydrophobicContact CB-CB 4.22Å; L280-L326 HydrophobicContact CD1-CD1 4.28Å; S309-L326 WeakPolarHBondContact OG-CD1 3.29Å; F313-L326 HydrophobicContact CD1-CD2 4.17Å; F313-L326 HydrophobicContact CE1-CD2 3.61Å; F313-L326 HydrophobicContact CE1-CG 4.21Å; F313-L326 HydrophobicContact CZ-CD2 4.26Å; G322-L326 WeakPolarHBondContact O-CB 3.21Å; G322-L326 PolarHBondContact O-N 3.11Å; L323-L326 PolarHBondContact O-N 3.21Å; H324-L326 VanDerWaalsContact C-N 3.34Å; H324-L326 PolarHBondContact O-N 3.42Å; L326-Y329 WeakPolarHBondContact O-CB 3.48Å; L326-Y329 PolarHBondContact O-N 2.8Å; L326-W330 PolarHBondContact O-N 3.27Å; L326-W330 VanDerWaalsContact O-N 3.13Å |
| 327 | L | 92 | Very high | 86 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.1 | -42.4 | 175 | -69.2 | 175.5 | 0 | 0 | 0 | 111.4 | F313 L323 H324 Y329 W330 D331 F360 Q388 Q391 F395 | F313-L327 HydrophobicContact CE1-CD2 4.05Å; F313-L327 HydrophobicContact CZ-CD2 3.81Å; L323-L327 HydrophobicContact CD1-CD1 3.98Å; L323-L327 HydrophobicContact CD1-CG 4Å; L323-L327 HydrophobicContact CG-CD1 4.02Å; L323-L327 HydrophobicContact CG-CG 4.41Å; L323-L327 WeakPolarHBondContact O-CB 3.42Å; L323-L327 VanDerWaalsContact O-CG 3.31Å; L323-L327 WeakPolarHBondContact O-CG 3.4Å; L323-L327 PolarHBondContact O-N 2.96Å; H324-L327 PolarHBondContact O-N 3.25Å; L327-Y329 VanDerWaalsContact C-N 3.32Å; L327-Y329 PolarHBondContact O-N 3.2Å; L327-W330 PolarHBondContact O-N 3.4Å; L327-D331 WeakPolarHBondContact O-CB 3.27Å; L327-D331 PolarHBondContact O-N 2.92Å; L327-F360 HydrophobicContact CD1-CE2 3.83Å; L327-F360 HydrophobicContact CD1-CZ 4.43Å; L327-F360 HydrophobicContact CD2-CD2 3.81Å; L327-F360 HydrophobicContact CD2-CE2 3.79Å; L327-F360 HydrophobicContact CG-CE2 4.4Å; L327-Q388 HydrophobicContact CD1-CB 4.1Å; L327-Q388 HydrophobicContact CD1-CG 3.87Å; L327-Q391 HydrophobicContact CB-CB 4.06Å; L327-Q391 HydrophobicContact CB-CG 4.48Å; L327-F395 HydrophobicContact CD2-CE1 3.9Å; L327-F395 HydrophobicContact CD2-CZ 3.75Å |
| 328 | A | 89.9 | Confident | 85.4 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.8 | -44 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | H324 W330 D331 L332 | H324-A328 WeakPolarHBondContact O-CB 3.18Å; H324-A328 PolarHBondContact O-N 3.48Å; A328-W330 VanDerWaalsContact C-N 3.35Å; A328-W330 PolarHBondContact O-N 3.39Å; A328-D331 PolarHBondContact O-N 3.28Å; A328-L332 WeakPolarHBondContact O-CB 3.39Å; A328-L332 WeakPolarHBondContact O-CD1 3.11Å; A328-L332 WeakPolarHBondContact O-CG 3.27Å; A328-L332 PolarHBondContact O-N 3.46Å |
| 329 | Y | 93 | Very high | 84.7 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.3 | -48.5 | 174.7 | 166.4 | -104.2 | 0 | 0 | 0 | 111.7 | L280 K284 F301 Y325 L326 L327 L332 M333 | L280-Y329 HydrophobicContact CB-CD1 4.38Å; L280-Y329 HydrophobicContact CB-CD2 3.88Å; L280-Y329 HydrophobicContact CB-CE2 4.25Å; L280-Y329 HydrophobicContact CB-CG 3.95Å; L280-Y329 VanDerWaalsContact O-CD2 3.25Å; L280-Y329 WeakPolarHBondContact O-CD2 3.12Å; K284-Y329 HydrophobicContact CB-CD2 3.8Å; K284-Y329 HydrophobicContact CB-CE2 3.94Å; K284-Y329 HydrophobicContact CG-CD2 4.43Å; F301-Y329 WeakPolarHBondContact CE1-OH 3.31Å; Y325-Y329 WeakPolarHBondContact O-CB 3.25Å; Y325-Y329 PolarHBondContact O-N 3.43Å; L326-Y329 WeakPolarHBondContact O-CB 3.48Å; L326-Y329 PolarHBondContact O-N 2.8Å; L327-Y329 VanDerWaalsContact C-N 3.32Å; L327-Y329 PolarHBondContact O-N 3.2Å; Y329-L332 PolarHBondContact O-N 3.36Å; Y329-M333 HydrophobicContact CD1-CG 4.45Å; Y329-M333 HydrophobicContact CD2-CG 3.99Å; Y329-M333 HydrophobicContact CE1-CG 3.99Å; Y329-M333 HydrophobicContact CE2-CG 3.48Å; Y329-M333 VanDerWaalsContact CE2-CG 3.48Å; Y329-M333 HydrophobicContact CE2-SD 3.85Å; Y329-M333 HydrophobicContact CG-CG 4.45Å; Y329-M333 VanDerWaalsContact CZ-CG 3.47Å; Y329-M333 WeakPolarHBondContact O-CB 3.48Å; Y329-M333 VanDerWaalsContact O-CG 3.24Å; Y329-M333 WeakPolarHBondContact O-CG 3.46Å; Y329-M333 PolarHBondContact O-N 2.89Å |
| 330 | W | 92.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.7 | -40.2 | 179.6 | -75.6 | 119.4 | 0 | 0 | 0 | 113.1 | V302 A306 S309 L326 L327 A328 L332 M333 I334 A352 I356 | V302-W330 HydrophobicContact CG1-CH2 4.49Å; A306-W330 HydrophobicContact CB-CH2 4.15Å; A306-W330 HydrophobicContact CB-CZ2 4.17Å; S309-W330 PolarHBondContact OG-NE1 3.18Å; L326-W330 PolarHBondContact O-N 3.27Å; L326-W330 VanDerWaalsContact O-N 3.13Å; L327-W330 PolarHBondContact O-N 3.4Å; A328-W330 VanDerWaalsContact C-N 3.35Å; A328-W330 PolarHBondContact O-N 3.39Å; W330-L332 VanDerWaalsContact C-N 3.31Å; W330-L332 PolarHBondContact O-N 2.86Å; W330-M333 HydrophobicContact CE3-CB 4.13Å; W330-M333 HydrophobicContact CE3-CG 4.5Å; W330-M333 PolarHBondContact O-N 3.14Å; W330-I334 HydrophobicContact CB-CD1 4.16Å; W330-I334 HydrophobicContact CE3-CD1 4.02Å; W330-I334 HydrophobicContact CE3-CG1 4.33Å; W330-I334 WeakPolarHBondContact O-CB 3.15Å; W330-I334 WeakPolarHBondContact O-CD1 3.14Å; W330-I334 WeakPolarHBondContact O-CG1 3.33Å; W330-I334 PolarHBondContact O-N 3.19Å; W330-A352 HydrophobicContact CH2-CB 4.27Å; W330-A352 HydrophobicContact CZ3-CB 4.12Å; W330-I356 HydrophobicContact CD2-CD1 3.19Å; W330-I356 HydrophobicContact CD2-CG1 4.34Å; W330-I356 HydrophobicContact CE3-CD1 3.33Å; W330-I356 HydrophobicContact CG-CD1 3.81Å; W330-I356 HydrophobicContact CG-CG2 4.2Å; W330-I356 HydrophobicContact CH2-CD1 3.59Å; W330-I356 HydrophobicContact CZ2-CD1 3.45Å; W330-I356 VanDerWaalsContact CZ2-CD1 3.45Å; W330-I356 HydrophobicContact CZ2-CG1 4.34Å; W330-I356 HydrophobicContact CZ3-CD1 3.52Å |
| 331 | D | 87.9 | Confident | 83.1 | Confident | 36 Ų | 36 | 39.3 Ų | 39.3 | 19% | 0.193 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54.1 | -48.2 | 170.9 | 177.3 | 58.2 | 0 | 0 | 0 | 111 | L327 A328 M333 I334 S335 Q391 T394 | L327-D331 WeakPolarHBondContact O-CB 3.27Å; L327-D331 PolarHBondContact O-N 2.92Å; A328-D331 PolarHBondContact O-N 3.28Å; D331-M333 PolarHBondContact O-N 3.2Å; D331-I334 PolarHBondContact O-N 2.97Å; D331-S335 WeakPolarHBondContact O-CB 3.38Å; D331-S335 PolarHBondContact O-N 2.85Å; D331-S335 PolarHBondContact O-OG 3.16Å; D331-Q391 HydrophobicContact CB-CB 4.44Å; D331-T394 WeakPolarHBondContact OD1-CB 3.35Å; D331-T394 WeakPolarHBondContact OD1-CG2 3.16Å; D331-T394 PolarHBondContact OD1-OG1 2.82Å |
| 332 | L | 88.2 | Confident | 82 | Confident | 33 Ų | 33 | 44.3 Ų | 44.3 | 17% | 0.173 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.3 | -36.5 | 177.6 | -69.5 | 164.4 | 0 | 0 | 0 | 113.8 | K284 N285 A328 Y329 W330 S335 C336 | K284-L332 VanDerWaalsContact CE-O 3.26Å; K284-L332 WeakPolarHBondContact CE-O 3.34Å; K284-L332 HydrophobicContact CG-CB 3.73Å; K284-L332 PolarHBondContact NZ-O 3.4Å; N285-L332 WeakPolarHBondContact OD1-CD1 2.99Å; A328-L332 WeakPolarHBondContact O-CB 3.39Å; A328-L332 WeakPolarHBondContact O-CD1 3.11Å; A328-L332 WeakPolarHBondContact O-CG 3.27Å; A328-L332 PolarHBondContact O-N 3.46Å; Y329-L332 PolarHBondContact O-N 3.36Å; W330-L332 VanDerWaalsContact C-N 3.31Å; W330-L332 PolarHBondContact O-N 2.86Å; L332-S335 PolarHBondContact O-OG 3.29Å; L332-C336 PolarHBondContact O-SG 3.11Å |
| 333 | M | 88.2 | Confident | 81.3 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.4 | -41.6 | 176.9 | -74.2 | -66.1 | -70.2 | 0 | 0 | 111.5 | K284 L289 F298 V302 Y329 W330 D331 L349 | K284-M333 HydrophobicContact CB-SD 4.45Å; K284-M333 HydrophobicContact CD-CG 4.32Å; K284-M333 HydrophobicContact CD-SD 3.41Å; K284-M333 WeakPolarHBondContact CD-SD 3.41Å; K284-M333 VanDerWaalsContact CE-SD 3.56Å; K284-M333 HydrophobicContact CG-CG 4.15Å; K284-M333 HydrophobicContact CG-SD 3.84Å; L289-M333 HydrophobicContact CD1-CE 4.02Å; L289-M333 HydrophobicContact CD1-SD 4.16Å; F298-M333 HydrophobicContact CE2-CE 4.17Å; V302-M333 HydrophobicContact CG2-CE 4.42Å; Y329-M333 HydrophobicContact CD1-CG 4.45Å; Y329-M333 HydrophobicContact CD2-CG 3.99Å; Y329-M333 HydrophobicContact CE1-CG 3.99Å; Y329-M333 HydrophobicContact CE2-CG 3.48Å; Y329-M333 VanDerWaalsContact CE2-CG 3.48Å; Y329-M333 HydrophobicContact CE2-SD 3.85Å; Y329-M333 HydrophobicContact CG-CG 4.45Å; Y329-M333 VanDerWaalsContact CZ-CG 3.47Å; Y329-M333 WeakPolarHBondContact O-CB 3.48Å; Y329-M333 VanDerWaalsContact O-CG 3.24Å; Y329-M333 WeakPolarHBondContact O-CG 3.46Å; Y329-M333 PolarHBondContact O-N 2.89Å; W330-M333 HydrophobicContact CE3-CB 4.13Å; W330-M333 HydrophobicContact CE3-CG 4.5Å; W330-M333 PolarHBondContact O-N 3.14Å; D331-M333 PolarHBondContact O-N 3.2Å; M333-L349 HydrophobicContact CE-CD2 3.78Å |
| 334 | I | 85.2 | Confident | 80.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -88.8 | -41.2 | -168.8 | -67.5 | 168.1 | 0 | 0 | 0 | 111.2 | W330 D331 C336 L337 A353 F395 Y398 | W330-I334 HydrophobicContact CB-CD1 4.16Å; W330-I334 HydrophobicContact CE3-CD1 4.02Å; W330-I334 HydrophobicContact CE3-CG1 4.33Å; W330-I334 WeakPolarHBondContact O-CB 3.15Å; W330-I334 WeakPolarHBondContact O-CD1 3.14Å; W330-I334 WeakPolarHBondContact O-CG1 3.33Å; W330-I334 PolarHBondContact O-N 3.19Å; D331-I334 PolarHBondContact O-N 2.97Å; I334-C336 PolarHBondContact O-N 2.96Å; I334-C336 VanDerWaalsContact O-N 3.1Å; I334-L337 HydrophobicContact CG2-CD1 4.21Å; I334-L337 WeakPolarHBondContact O-CB 3.36Å; I334-L337 WeakPolarHBondContact O-CG 3.17Å; I334-L337 PolarHBondContact O-N 3.12Å; I334-A353 HydrophobicContact CD1-CB 3.63Å; I334-A353 HydrophobicContact CG1-CB 4.09Å; I334-A353 HydrophobicContact CG2-CB 4.24Å; I334-F395 HydrophobicContact CB-CB 4.13Å; I334-F395 HydrophobicContact CD1-CB 3.49Å; I334-F395 VanDerWaalsContact CD1-CB 3.49Å; I334-F395 HydrophobicContact CD1-CG 4.34Å; I334-F395 HydrophobicContact CG1-CB 4.4Å; I334-F395 HydrophobicContact CG2-CB 3.79Å; I334-Y398 HydrophobicContact CG2-CD1 4.22Å; I334-Y398 HydrophobicContact CG2-CD2 3.09Å; I334-Y398 HydrophobicContact CG2-CE1 4.31Å; I334-Y398 HydrophobicContact CG2-CE2 3.2Å; I334-Y398 HydrophobicContact CG2-CG 3.63Å; I334-Y398 PolarHBondContact O-OH 3.29Å |
| 335 | S | 79.9 | Confident | 80 | Confident | 37 Ų | 37 | 53.6 Ų | 53.6 | 26% | 0.259 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -51.2 | -36.5 | 175.1 | 55.8 | 0 | 0 | 0 | 0 | 113.4 | D331 L332 L337 Y398 | D331-S335 WeakPolarHBondContact O-CB 3.38Å; D331-S335 PolarHBondContact O-N 2.85Å; D331-S335 PolarHBondContact O-OG 3.16Å; L332-S335 PolarHBondContact O-OG 3.29Å; S335-L337 PolarHBondContact O-N 3Å; S335-Y398 PolarHBondContact O-OH 3.32Å |
| 336 | C | 74.6 | Confident | 79.4 | Confident | 37 Ų | 37 | 52.8 Ų | 52.8 | 25% | 0.25 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -67.2 | -18.2 | 178.9 | -69.3 | 0 | 0 | 0 | 0 | 113.8 | L289 L332 I334 A338 Y339 | L289-C336 HydrophobicContact CB-CB 4.05Å; L289-C336 HydrophobicContact CD2-CB 3.43Å; L289-C336 VanDerWaalsContact CD2-CB 3.43Å; L289-C336 HydrophobicContact CG-CB 4.32Å; L332-C336 PolarHBondContact O-SG 3.11Å; I334-C336 PolarHBondContact O-N 2.96Å; I334-C336 VanDerWaalsContact O-N 3.1Å; C336-A338 PolarHBondContact O-N 3.25Å; C336-Y339 PolarHBondContact O-N 2.89Å; C336-Y339 VanDerWaalsContact O-N 3.16Å |
| 337 | L | 72.3 | Confident | 78.9 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -61.8 | -28.1 | 179.3 | -75 | 175.8 | 0 | 0 | 0 | 113.3 | I334 S335 Y339 F340 K346 L349 E350 Y398 | I334-L337 HydrophobicContact CG2-CD1 4.21Å; I334-L337 WeakPolarHBondContact O-CB 3.36Å; I334-L337 WeakPolarHBondContact O-CG 3.17Å; I334-L337 PolarHBondContact O-N 3.12Å; S335-L337 PolarHBondContact O-N 3Å; L337-Y339 PolarHBondContact O-N 3.02Å; L337-Y339 VanDerWaalsContact O-N 3.13Å; L337-F340 PolarHBondContact O-N 3.33Å; L337-K346 HydrophobicContact CD2-CG 4.26Å; L337-L349 HydrophobicContact CD1-CB 4.02Å; L337-L349 HydrophobicContact CD2-CB 3.77Å; L337-L349 HydrophobicContact CD2-CD1 3.57Å; L337-L349 HydrophobicContact CD2-CG 4.34Å; L337-L349 HydrophobicContact CG-CB 4.28Å; L337-L349 HydrophobicContact CG-CD1 4.24Å; L337-E350 HydrophobicContact CD1-CG 4.48Å; L337-Y398 HydrophobicContact CB-CD1 4.16Å; L337-Y398 HydrophobicContact CB-CE1 3.39Å; L337-Y398 HydrophobicContact CD1-CD1 3.63Å; L337-Y398 HydrophobicContact CD1-CE1 3.71Å; L337-Y398 HydrophobicContact CD1-CG 4.34Å; L337-Y398 HydrophobicContact CG-CE1 4.18Å |
| 338 | A | 68.6 | Low | 78.5 | Confident | 41 Ų | 41 | 59.9 Ų | 59.9 | 34% | 0.339 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -60 | -24.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | C336 V456 | C336-A338 PolarHBondContact O-N 3.25Å; A338-V456 HydrophobicContact CB-CG2 4.19Å |
| 339 | Y | 69.6 | Low | 78.3 | Confident | 197 Ų | 197 | 59.9 Ų | 59.9 | 77% | 0.773 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -103.8 | -3.7 | -177.1 | -56.5 | -79.1 | 0 | 0 | 0 | 113.5 | C336 L337 | C336-Y339 PolarHBondContact O-N 2.89Å; C336-Y339 VanDerWaalsContact O-N 3.16Å; L337-Y339 PolarHBondContact O-N 3.02Å; L337-Y339 VanDerWaalsContact O-N 3.13Å |
| 340 | F | 66.9 | Low | 77.8 | Confident | 61 Ų | 61 | 62.2 Ų | 62.2 | 27% | 0.268 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -92.2 | 134.6 | -173.5 | -135.5 | -90 | 0 | 0 | 0 | 112 | L289 T293 L337 | L289-F340 HydrophobicContact CD2-CD2 3.86Å; L289-F340 HydrophobicContact CD2-CE2 4.23Å; L289-F340 HydrophobicContact CG-CD2 4.34Å; L289-F340 HydrophobicContact CG-CE2 4.21Å; T293-F340 HydrophobicContact CG2-CE1 4.05Å; T293-F340 HydrophobicContact CG2-CE2 4.11Å; T293-F340 HydrophobicContact CG2-CZ 3.63Å; T293-F340 WeakPolarHBondContact OG1-CZ 3.24Å; L337-F340 PolarHBondContact O-N 3.33Å |
| 341 | R | 64 | Low | 77.5 | Confident | 229 Ų | 229 | 67.4 Ų | 67.4 | 86% | 0.864 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 150.7 | 176.8 | -67.6 | -174.3 | -175.1 | -172.1 | 1.5 | 111.3 | ||
| 342 | D | 60.6 | Low | 77.6 | Confident | 136 Ų | 136 | 65.8 Ų | 65.8 | 73% | 0.727 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -56 | 133.7 | -176 | -62.4 | -38.9 | 0 | 0 | 0 | 113.2 | K346 | D342-K346 IonicContact OD1-NZ 2.8Å; D342-K346 PolarHBondContact OD1-NZ 3.2Å |
| 343 | G | 72.2 | Confident | 77.5 | Confident | 39 Ų | 39 | 64.2 Ų | 64.2 | 40% | 0.402 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 178.5 | 174.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N345 K346 Q347 | G343-N345 VanDerWaalsContact C-N 3.27Å; G343-N345 PolarHBondContact O-N 3.41Å; G343-K346 WeakPolarHBondContact O-CB 3.11Å; G343-K346 PolarHBondContact O-N 3.49Å; G343-K346 VanDerWaalsContact O-N 3.1Å; G343-Q347 PolarHBondContact O-N 3.12Å |
| 344 | K | 75 | Confident | 77.5 | Confident | 167 Ų | 167 | 66.2 Ų | 66.2 | 73% | 0.726 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -53.8 | -41.1 | -179.7 | -70.3 | -174.1 | 176.8 | -176.3 | 0 | 113 | K346 Q347 A348 | K344-K346 VanDerWaalsContact C-N 3.3Å; K344-K346 PolarHBondContact O-N 3.34Å; K344-Q347 WeakPolarHBondContact O-CB 3.49Å; K344-Q347 PolarHBondContact O-N 3.4Å; K344-Q347 VanDerWaalsContact O-N 3.14Å; K344-A348 PolarHBondContact O-N 3.12Å; K344-A348 VanDerWaalsContact O-N 3.16Å |
| 345 | N | 75.9 | Confident | 77.8 | Confident | 42 Ų | 42 | 69.4 Ų | 69.4 | 23% | 0.225 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.5 | -31.9 | -179.1 | -60.5 | -12.2 | 0 | 0 | 0 | 113.1 | T293 F298 G343 A348 L349 | T293-N345 WeakPolarHBondContact CB-ND2 3.26Å; T293-N345 HydrophobicContact CG2-CB 4.05Å; T293-N345 PolarHBondContact O-ND2 2.93Å; F298-N345 HydrophobicContact CD1-CB 4.05Å; F298-N345 HydrophobicContact CE1-CB 3.75Å; G343-N345 VanDerWaalsContact C-N 3.27Å; G343-N345 PolarHBondContact O-N 3.41Å; N345-A348 PolarHBondContact O-N 2.7Å; N345-L349 PolarHBondContact O-N 2.88Å |
| 346 | K | 77.8 | Confident | 78.3 | Confident | 45 Ų | 45 | 67.6 Ų | 67.6 | 20% | 0.196 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 174.6 | 179.4 | 175.7 | 173.4 | 177.7 | 0 | 110.7 | L337 D342 G343 K344 A348 L349 E350 | L337-K346 HydrophobicContact CD2-CG 4.26Å; D342-K346 IonicContact OD1-NZ 2.8Å; D342-K346 PolarHBondContact OD1-NZ 3.2Å; G343-K346 WeakPolarHBondContact O-CB 3.11Å; G343-K346 PolarHBondContact O-N 3.49Å; G343-K346 VanDerWaalsContact O-N 3.1Å; K344-K346 VanDerWaalsContact C-N 3.3Å; K344-K346 PolarHBondContact O-N 3.34Å; K346-A348 VanDerWaalsContact C-N 3.34Å; K346-A348 PolarHBondContact O-N 3.48Å; K346-L349 PolarHBondContact O-N 2.88Å; K346-E350 WeakPolarHBondContact CE-OE1 3.13Å; K346-E350 HydrophobicContact CG-CG 4.33Å; K346-E350 VanDerWaalsContact O-CB 3.3Å; K346-E350 WeakPolarHBondContact O-CB 3.33Å; K346-E350 WeakPolarHBondContact O-CG 3.49Å; K346-E350 PolarHBondContact O-N 2.92Å |
| 347 | Q | 82 | Confident | 79 | Confident | 133 Ų | 133 | 65.9 Ų | 65.9 | 62% | 0.621 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.4 | -37.8 | 177.5 | -64.2 | 179.6 | -11 | 0 | 0 | 112.4 | G343 K344 K351 | G343-Q347 PolarHBondContact O-N 3.12Å; K344-Q347 WeakPolarHBondContact O-CB 3.49Å; K344-Q347 PolarHBondContact O-N 3.4Å; K344-Q347 VanDerWaalsContact O-N 3.14Å; Q347-K351 VanDerWaalsContact O-CB 3.29Å; Q347-K351 WeakPolarHBondContact O-CB 3.46Å; Q347-K351 PolarHBondContact O-N 3.33Å |
| 348 | A | 83.8 | Confident | 79.9 | Confident | 15 Ų | 15 | 72 Ų | 72 | 12% | 0.124 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | K344 N345 K346 A352 | K344-A348 PolarHBondContact O-N 3.12Å; K344-A348 VanDerWaalsContact O-N 3.16Å; N345-A348 PolarHBondContact O-N 2.7Å; K346-A348 VanDerWaalsContact C-N 3.34Å; K346-A348 PolarHBondContact O-N 3.48Å; A348-A352 WeakPolarHBondContact O-CB 2.86Å; A348-A352 PolarHBondContact O-N 2.68Å |
| 349 | L | 85.3 | Confident | 81 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.8 | -37.5 | 177.3 | -73 | 175.3 | 0 | 0 | 0 | 113.2 | L289 F298 V302 M333 L337 N345 K346 A352 A353 | L289-L349 HydrophobicContact CD1-CD1 4.17Å; L289-L349 HydrophobicContact CD2-CD1 4.13Å; F298-L349 HydrophobicContact CE1-CG 4.31Å; F298-L349 HydrophobicContact CZ-CD1 3.89Å; F298-L349 HydrophobicContact CZ-CD2 3.95Å; F298-L349 HydrophobicContact CZ-CG 3.8Å; V302-L349 HydrophobicContact CG1-CD2 4.1Å; V302-L349 HydrophobicContact CG2-CD2 3.9Å; M333-L349 HydrophobicContact CE-CD2 3.78Å; L337-L349 HydrophobicContact CD1-CB 4.02Å; L337-L349 HydrophobicContact CD2-CB 3.77Å; L337-L349 HydrophobicContact CD2-CD1 3.57Å; L337-L349 HydrophobicContact CD2-CG 4.34Å; L337-L349 HydrophobicContact CG-CB 4.28Å; L337-L349 HydrophobicContact CG-CD1 4.24Å; N345-L349 PolarHBondContact O-N 2.88Å; K346-L349 PolarHBondContact O-N 2.88Å; L349-A352 PolarHBondContact O-N 3.42Å; L349-A353 WeakPolarHBondContact O-CB 3.3Å; L349-A353 PolarHBondContact O-N 2.99Å |
| 350 | E | 83.7 | Confident | 82 | Confident | 49 Ų | 49 | 60.9 Ų | 60.9 | 23% | 0.229 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 173.5 | -86.2 | 177.5 | 174.6 | 0 | 0 | 111.6 | L337 K346 A353 S354 H399 | L337-E350 HydrophobicContact CD1-CG 4.48Å; K346-E350 WeakPolarHBondContact CE-OE1 3.13Å; K346-E350 HydrophobicContact CG-CG 4.33Å; K346-E350 VanDerWaalsContact O-CB 3.3Å; K346-E350 WeakPolarHBondContact O-CB 3.33Å; K346-E350 WeakPolarHBondContact O-CG 3.49Å; K346-E350 PolarHBondContact O-N 2.92Å; E350-A353 PolarHBondContact O-N 3.1Å; E350-S354 PolarHBondContact O-N 2.91Å; E350-H399 WeakPolarHBondContact CB-NE2 3.48Å |
| 351 | K | 86.9 | Confident | 83.2 | Confident | 110 Ų | 110 | 58 Ų | 58 | 48% | 0.478 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 172.6 | -179.9 | -169.4 | 169.1 | -150.3 | 0 | 111.3 | D303 Q347 S354 I355 | D303-K351 IonicContact OD1-NZ 3.77Å; Q347-K351 VanDerWaalsContact O-CB 3.29Å; Q347-K351 WeakPolarHBondContact O-CB 3.46Å; Q347-K351 PolarHBondContact O-N 3.33Å; K351-S354 PolarHBondContact O-N 3.41Å; K351-I355 HydrophobicContact CG-CD1 3.93Å; K351-I355 WeakPolarHBondContact O-CG1 3.46Å; K351-I355 PolarHBondContact O-N 3.34Å |
| 352 | A | 88.6 | Confident | 84.5 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 2% | 0.017 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.4 | -48.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V302 A306 W330 A348 L349 S354 I355 I356 | V302-A352 HydrophobicContact CG1-CB 3.67Å; A306-A352 HydrophobicContact CB-CB 4.35Å; W330-A352 HydrophobicContact CH2-CB 4.27Å; W330-A352 HydrophobicContact CZ3-CB 4.12Å; A348-A352 WeakPolarHBondContact O-CB 2.86Å; A348-A352 PolarHBondContact O-N 2.68Å; L349-A352 PolarHBondContact O-N 3.42Å; A352-S354 VanDerWaalsContact C-N 3.28Å; A352-S354 PolarHBondContact O-N 2.92Å; A352-I355 PolarHBondContact O-N 3.04Å; A352-I355 VanDerWaalsContact O-N 3.07Å; A352-I356 HydrophobicContact CB-CD1 4.15Å; A352-I356 WeakPolarHBondContact O-CB 3.45Å; A352-I356 WeakPolarHBondContact O-CD1 3.5Å; A352-I356 WeakPolarHBondContact O-CG1 3.38Å; A352-I356 PolarHBondContact O-N 3.43Å |
| 353 | A | 87.7 | Confident | 86 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.2 | -43.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I334 L349 E350 T357 | I334-A353 HydrophobicContact CD1-CB 3.63Å; I334-A353 HydrophobicContact CG1-CB 4.09Å; I334-A353 HydrophobicContact CG2-CB 4.24Å; L349-A353 WeakPolarHBondContact O-CB 3.3Å; L349-A353 PolarHBondContact O-N 2.99Å; E350-A353 PolarHBondContact O-N 3.1Å; A353-T357 VanDerWaalsContact O-CB 3.29Å; A353-T357 WeakPolarHBondContact O-CB 3.33Å; A353-T357 PolarHBondContact O-N 2.96Å; A353-T357 PolarHBondContact O-OG1 2.66Å |
| 354 | S | 87.8 | Confident | 86.8 | Confident | 41 Ų | 41 | 41.7 Ų | 41.7 | 29% | 0.287 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.1 | -45.5 | 175.7 | -174.1 | 0 | 0 | 0 | 0 | 112.2 | E350 K351 A352 R358 | E350-S354 PolarHBondContact O-N 2.91Å; K351-S354 PolarHBondContact O-N 3.41Å; A352-S354 VanDerWaalsContact C-N 3.28Å; A352-S354 PolarHBondContact O-N 2.92Å; S354-R358 VanDerWaalsContact O-CB 3.28Å; S354-R358 WeakPolarHBondContact O-CB 3.31Å; S354-R358 PolarHBondContact O-N 3.09Å |
| 355 | I | 89.9 | Confident | 87.5 | Confident | 67 Ų | 67 | 34.9 Ų | 34.9 | 34% | 0.344 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.7 | -43 | 179.2 | -68.2 | 166.9 | 0 | 0 | 0 | 111.5 | V310 K351 A352 R358 A359 | V310-I355 HydrophobicContact CG2-CG2 3.6Å; K351-I355 HydrophobicContact CG-CD1 3.93Å; K351-I355 WeakPolarHBondContact O-CG1 3.46Å; K351-I355 PolarHBondContact O-N 3.34Å; A352-I355 PolarHBondContact O-N 3.04Å; A352-I355 VanDerWaalsContact O-N 3.07Å; I355-R358 WeakPolarHBondContact O-CB 3.38Å; I355-R358 PolarHBondContact O-N 3.4Å; I355-A359 WeakPolarHBondContact O-CB 3.43Å; I355-A359 PolarHBondContact O-N 3.21Å |
| 356 | I | 91.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70 | -46.2 | -177.6 | -66.8 | 156.4 | 0 | 0 | 0 | 110.5 | F313 W330 A352 R358 A359 F360 F395 | F313-I356 HydrophobicContact CE2-CG2 3.79Å; F313-I356 HydrophobicContact CZ-CG2 4.15Å; W330-I356 HydrophobicContact CD2-CD1 3.19Å; W330-I356 HydrophobicContact CD2-CG1 4.34Å; W330-I356 HydrophobicContact CE3-CD1 3.33Å; W330-I356 HydrophobicContact CG-CD1 3.81Å; W330-I356 HydrophobicContact CG-CG2 4.2Å; W330-I356 HydrophobicContact CH2-CD1 3.59Å; W330-I356 HydrophobicContact CZ2-CD1 3.45Å; W330-I356 VanDerWaalsContact CZ2-CD1 3.45Å; W330-I356 HydrophobicContact CZ2-CG1 4.34Å; W330-I356 HydrophobicContact CZ3-CD1 3.52Å; A352-I356 HydrophobicContact CB-CD1 4.15Å; A352-I356 WeakPolarHBondContact O-CB 3.45Å; A352-I356 WeakPolarHBondContact O-CD1 3.5Å; A352-I356 WeakPolarHBondContact O-CG1 3.38Å; A352-I356 PolarHBondContact O-N 3.43Å; I356-R358 PolarHBondContact O-N 3.25Å; I356-A359 PolarHBondContact O-N 3.3Å; I356-F360 VanDerWaalsContact O-CB 3.25Å; I356-F360 WeakPolarHBondContact O-CB 3.38Å; I356-F360 PolarHBondContact O-N 3.46Å; I356-F395 HydrophobicContact CG2-CE2 4.34Å |
| 357 | T | 89.7 | Confident | 88.6 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.2 | -44.1 | 172.9 | -55.7 | 0 | 0 | 0 | 0 | 109.7 | A353 I361 F392 F395 C396 | A353-T357 VanDerWaalsContact O-CB 3.29Å; A353-T357 WeakPolarHBondContact O-CB 3.33Å; A353-T357 PolarHBondContact O-N 2.96Å; A353-T357 PolarHBondContact O-OG1 2.66Å; T357-I361 HydrophobicContact CG2-CD1 4.01Å; T357-I361 WeakPolarHBondContact O-CG1 3.45Å; T357-I361 PolarHBondContact O-N 3.12Å; T357-F392 HydrophobicContact CG2-CE2 4.03Å; T357-F392 HydrophobicContact CG2-CZ 4.37Å; T357-F395 WeakPolarHBondContact OG1-CD2 3.34Å; T357-F395 PolarHBondContact OG1-O 3.36Å; T357-C396 HydrophobicContact CG2-CB 4.08Å |
| 358 | R | 90.1 | Very high | 88.9 | Confident | 135 Ų | 135 | 31.6 Ų | 31.6 | 51% | 0.509 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -60.2 | -60.1 | 178.5 | -167.1 | -177.3 | 174.9 | 137.2 | 5.5 | 112.1 | S354 I355 I356 F360 I361 E362 W406 | S354-R358 VanDerWaalsContact O-CB 3.28Å; S354-R358 WeakPolarHBondContact O-CB 3.31Å; S354-R358 PolarHBondContact O-N 3.09Å; I355-R358 WeakPolarHBondContact O-CB 3.38Å; I355-R358 PolarHBondContact O-N 3.4Å; I356-R358 PolarHBondContact O-N 3.25Å; R358-F360 PolarHBondContact O-N 2.96Å; R358-I361 PolarHBondContact O-N 3.18Å; R358-E362 IonicContact CZ-OE1 3.77Å; R358-E362 IonicContact NE-OE1 3.44Å; R358-E362 PolarHBondContact NE-OE1 3.14Å; R358-E362 IonicContact NE-OE2 3.53Å; R358-E362 IonicContact NH2-OE1 2.64Å; R358-E362 PolarHBondContact NH2-OE1 3Å; R358-E362 PolarHBondContact O-N 3.4Å; R358-W406 VanDerWaalsContact CA-CZ3 3.41Å; R358-W406 HydrophobicContact CB-CH2 4.22Å; R358-W406 HydrophobicContact CB-CZ3 3.99Å; R358-W406 HydrophobicContact CG-CE3 4.19Å; R358-W406 HydrophobicContact CG-CH2 3.37Å; R358-W406 HydrophobicContact CG-CZ2 3.96Å; R358-W406 HydrophobicContact CG-CZ3 3.54Å; R358-W406 WeakPolarHBondContact O-CH2 3.22Å; R358-W406 WeakPolarHBondContact O-CZ3 3.23Å |
| 359 | A | 91.4 | Very high | 89.1 | Confident | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.033 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.5 | -34 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V310 F313 I355 I356 S363 | V310-A359 HydrophobicContact CB-CB 4.08Å; V310-A359 HydrophobicContact CG1-CB 3.84Å; V310-A359 HydrophobicContact CG2-CB 3.7Å; F313-A359 HydrophobicContact CD2-CB 4.1Å; I355-A359 WeakPolarHBondContact O-CB 3.43Å; I355-A359 PolarHBondContact O-N 3.21Å; I356-A359 PolarHBondContact O-N 3.3Å; A359-S363 WeakPolarHBondContact O-CB 3.45Å; A359-S363 PolarHBondContact O-N 3.47Å; A359-S363 PolarHBondContact O-OG 3.19Å; A359-S363 VanDerWaalsContact O-OG 3.07Å |
| 360 | F | 92.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.5 | -51.9 | 176.1 | -175.3 | -95.1 | 0 | 0 | 0 | 111.6 | F313 L327 I356 R358 S363 R364 M389 F392 M444 | F313-F360 HydrophobicContact CD2-CB 4.23Å; F313-F360 HydrophobicContact CE1-CD2 4.46Å; F313-F360 HydrophobicContact CE2-CB 4.1Å; F313-F360 HydrophobicContact CE2-CD2 4.38Å; F313-F360 HydrophobicContact CZ-CD2 4.33Å; L327-F360 HydrophobicContact CD1-CE2 3.83Å; L327-F360 HydrophobicContact CD1-CZ 4.43Å; L327-F360 HydrophobicContact CD2-CD2 3.81Å; L327-F360 HydrophobicContact CD2-CE2 3.79Å; L327-F360 HydrophobicContact CG-CE2 4.4Å; I356-F360 VanDerWaalsContact O-CB 3.25Å; I356-F360 WeakPolarHBondContact O-CB 3.38Å; I356-F360 PolarHBondContact O-N 3.46Å; R358-F360 PolarHBondContact O-N 2.96Å; F360-S363 PolarHBondContact O-N 3.21Å; F360-S363 PolarHBondContact O-OG 3.17Å; F360-R364 HydrophobicContact CD1-CG 4.42Å; F360-R364 HydrophobicContact CE1-CG 4.11Å; F360-R364 VanDerWaalsContact CE2-CZ 3.46Å; F360-R364 HydrophobicContact CZ-CG 4.2Å; F360-R364 WeakPolarHBondContact O-CG 3.01Å; F360-R364 PolarHBondContact O-N 3.03Å; F360-M389 HydrophobicContact CE1-CE 3.86Å; F360-M389 HydrophobicContact CZ-CE 3.93Å; F360-F392 AromaticContact CD1-CD2 3.38Å; F360-F392 HydrophobicContact CD1-CD2 3.38Å; F360-F392 AromaticContact CD1-CE2 3.68Å; F360-F392 HydrophobicContact CD1-CE2 3.68Å; F360-F392 HydrophobicContact CD1-CG 4.28Å; F360-F392 HydrophobicContact CE1-CB 4.33Å; F360-F392 AromaticContact CE1-CD2 3.65Å; F360-F392 HydrophobicContact CE1-CD2 3.65Å; F360-F392 HydrophobicContact CE1-CE2 4.24Å; F360-F392 HydrophobicContact CE1-CG 4.1Å; F360-F392 HydrophobicContact CG-CD2 4.22Å; F360-M444 HydrophobicContact CD1-SD 4.45Å; F360-M444 HydrophobicContact CE1-SD 4.44Å |
| 361 | I | 91.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.7 | -50 | 178.6 | -63.8 | 163 | 0 | 0 | 0 | 110.5 | T357 R358 S363 R364 L365 F392 W406 L407 M444 | T357-I361 HydrophobicContact CG2-CD1 4.01Å; T357-I361 WeakPolarHBondContact O-CG1 3.45Å; T357-I361 PolarHBondContact O-N 3.12Å; R358-I361 PolarHBondContact O-N 3.18Å; I361-S363 PolarHBondContact O-N 3.26Å; I361-R364 PolarHBondContact O-N 3.19Å; I361-L365 HydrophobicContact CG2-CD1 4.07Å; I361-L365 WeakPolarHBondContact O-CG 3.38Å; I361-L365 PolarHBondContact O-N 3.43Å; I361-L365 VanDerWaalsContact O-N 3.12Å; I361-F392 HydrophobicContact CD1-CE2 4.29Å; I361-F392 HydrophobicContact CD1-CZ 4.05Å; I361-F392 HydrophobicContact CG1-CE2 3.96Å; I361-F392 HydrophobicContact CG1-CZ 3.98Å; I361-W406 HydrophobicContact CB-CE3 4.4Å; I361-W406 HydrophobicContact CB-CH2 3.76Å; I361-W406 HydrophobicContact CB-CZ3 3.47Å; I361-W406 VanDerWaalsContact CB-CZ3 3.47Å; I361-W406 HydrophobicContact CD1-CE3 3.7Å; I361-W406 HydrophobicContact CD1-CZ3 3.47Å; I361-W406 VanDerWaalsContact CD1-CZ3 3.47Å; I361-W406 HydrophobicContact CG1-CZ3 3.99Å; I361-W406 HydrophobicContact CG2-CE3 4.39Å; I361-W406 HydrophobicContact CG2-CH2 3.86Å; I361-W406 HydrophobicContact CG2-CZ3 3.75Å; I361-L407 HydrophobicContact CD1-CD2 3.64Å; I361-L407 HydrophobicContact CD1-CG 3.97Å; I361-L407 HydrophobicContact CG1-CD2 4.13Å; I361-L407 HydrophobicContact CG2-CD2 4.32Å; I361-M444 HydrophobicContact CB-SD 4.04Å; I361-M444 HydrophobicContact CG1-SD 3.6Å; I361-M444 HydrophobicContact CG2-CE 4.02Å; I361-M444 HydrophobicContact CG2-SD 4.16Å |
| 362 | E | 91.6 | Very high | 89 | Confident | 49 Ų | 49 | 36.9 Ų | 36.9 | 23% | 0.229 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.8 | -49.1 | 178.3 | -92.9 | 156.4 | -168.9 | 0 | 0 | 110.8 | M314 R358 R364 L365 E366 W406 | M314-E362 HydrophobicContact CE-CB 3.83Å; R358-E362 IonicContact CZ-OE1 3.77Å; R358-E362 IonicContact NE-OE1 3.44Å; R358-E362 PolarHBondContact NE-OE1 3.14Å; R358-E362 IonicContact NE-OE2 3.53Å; R358-E362 IonicContact NH2-OE1 2.64Å; R358-E362 PolarHBondContact NH2-OE1 3Å; R358-E362 PolarHBondContact O-N 3.4Å; E362-R364 VanDerWaalsContact C-N 3.32Å; E362-R364 PolarHBondContact O-N 3.31Å; E362-L365 PolarHBondContact O-N 2.96Å; E362-L365 VanDerWaalsContact O-N 3.14Å; E362-E366 WeakPolarHBondContact O-CB 3.35Å; E362-E366 WeakPolarHBondContact O-CG 3.5Å; E362-E366 PolarHBondContact O-N 3.28Å; E362-W406 HydrophobicContact CB-CH2 4.23Å; E362-W406 HydrophobicContact CG-CH2 3.56Å; E362-W406 HydrophobicContact CG-CZ2 3.52Å; E362-W406 WeakPolarHBondContact OE1-CZ2 3.34Å |
| 363 | S | 91.1 | Very high | 88.3 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60 | -40 | -179.1 | 71.4 | 0 | 0 | 0 | 0 | 112.9 | F313 A359 F360 I361 R367 | F313-S363 VanDerWaalsContact O-CB 3.26Å; F313-S363 WeakPolarHBondContact O-CB 3.48Å; A359-S363 WeakPolarHBondContact O-CB 3.45Å; A359-S363 PolarHBondContact O-N 3.47Å; A359-S363 PolarHBondContact O-OG 3.19Å; A359-S363 VanDerWaalsContact O-OG 3.07Å; F360-S363 PolarHBondContact O-N 3.21Å; F360-S363 PolarHBondContact O-OG 3.17Å; I361-S363 PolarHBondContact O-N 3.26Å; S363-R367 WeakPolarHBondContact O-CB 3.2Å; S363-R367 PolarHBondContact O-N 2.76Å |
| 364 | R | 89.8 | Confident | 87.9 | Confident | 10 Ų | 10 | 46.7 Ų | 46.7 | 4% | 0.038 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.6 | -38.1 | 178.5 | -67.1 | -63 | 172.1 | -83.4 | 3.5 | 111.5 | L323 F360 I361 E362 V368 W440 | L323-R364 VanDerWaalsContact CD1-NH2 3.33Å; F360-R364 HydrophobicContact CD1-CG 4.42Å; F360-R364 HydrophobicContact CE1-CG 4.11Å; F360-R364 VanDerWaalsContact CE2-CZ 3.46Å; F360-R364 HydrophobicContact CZ-CG 4.2Å; F360-R364 WeakPolarHBondContact O-CG 3.01Å; F360-R364 PolarHBondContact O-N 3.03Å; I361-R364 PolarHBondContact O-N 3.19Å; E362-R364 VanDerWaalsContact C-N 3.32Å; E362-R364 PolarHBondContact O-N 3.31Å; R364-V368 VanDerWaalsContact O-CG2 3.32Å; R364-V368 WeakPolarHBondContact O-CG2 3.25Å; R364-V368 PolarHBondContact O-N 3.46Å; R364-W440 HydrophobicContact CB-CD2 4.11Å; R364-W440 HydrophobicContact CB-CE3 4.23Å; R364-W440 HydrophobicContact CB-CG 4.38Å; R364-W440 HydrophobicContact CG-CD2 4.39Å; R364-W440 HydrophobicContact CG-CE3 4.11Å; R364-W440 HydrophobicContact CG-CH2 4.46Å; R364-W440 HydrophobicContact CG-CZ3 4.15Å |
| 365 | L | 90.5 | Very high | 87.4 | Confident | 24 Ų | 24 | 44.8 Ų | 44.8 | 13% | 0.126 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.5 | -45.7 | 178 | -62.9 | 178.5 | 0 | 0 | 0 | 111.9 | I361 E362 V368 L414 K437 M444 | I361-L365 HydrophobicContact CG2-CD1 4.07Å; I361-L365 WeakPolarHBondContact O-CG 3.38Å; I361-L365 PolarHBondContact O-N 3.43Å; I361-L365 VanDerWaalsContact O-N 3.12Å; E362-L365 PolarHBondContact O-N 2.96Å; E362-L365 VanDerWaalsContact O-N 3.14Å; L365-V368 WeakPolarHBondContact O-CB 3.4Å; L365-V368 PolarHBondContact O-N 2.88Å; L365-L414 HydrophobicContact CD2-CD1 4.21Å; L365-K437 HydrophobicContact CD2-CB 3.86Å; L365-K437 HydrophobicContact CD2-CG 4.02Å; L365-K437 WeakPolarHBondContact O-CE 3.45Å; L365-M444 HydrophobicContact CD2-CE 4.46Å |
| 366 | E | 89.9 | Confident | 86.9 | Confident | 104 Ų | 104 | 43.3 Ų | 43.3 | 49% | 0.486 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.2 | -37.7 | 178.2 | -70.9 | -177.5 | 179 | 0 | 0 | 112 | E362 V368 D369 V370 | E362-E366 WeakPolarHBondContact O-CB 3.35Å; E362-E366 WeakPolarHBondContact O-CG 3.5Å; E362-E366 PolarHBondContact O-N 3.28Å; E366-V368 PolarHBondContact O-N 3.45Å; E366-D369 WeakPolarHBondContact O-CA 3.13Å; E366-D369 VanDerWaalsContact O-CB 3.32Å; E366-D369 WeakPolarHBondContact O-CB 3.27Å; E366-D369 PolarHBondContact O-N 3.34Å; E366-V370 PolarHBondContact O-N 3.42Å |
| 367 | R | 86.7 | Confident | 86.3 | Confident | 45 Ų | 45 | 52.1 Ų | 52.1 | 17% | 0.17 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.5 | -34.8 | 175.5 | -178.3 | -178.4 | -172.8 | 74.2 | 9.7 | 112.4 | V316 S363 D369 V370 L371 E378 | V316-R367 VanDerWaalsContact O-CZ 3.28Å; V316-R367 PolarHBondContact O-NH1 2.97Å; V316-R367 PolarHBondContact O-NH2 3.46Å; S363-R367 WeakPolarHBondContact O-CB 3.2Å; S363-R367 PolarHBondContact O-N 2.76Å; R367-D369 VanDerWaalsContact C-N 3.28Å; R367-D369 PolarHBondContact O-N 2.86Å; R367-V370 PolarHBondContact O-N 3.47Å; R367-L371 HydrophobicContact CG-CD1 3.68Å; R367-L371 HydrophobicContact CG-CG 4.02Å; R367-L371 WeakPolarHBondContact O-CB 3.48Å; R367-L371 WeakPolarHBondContact O-CG 3.28Å; R367-L371 PolarHBondContact O-N 3.17Å; R367-E378 WeakPolarHBondContact CD-OE2 3.11Å; R367-E378 IonicContact CZ-OE1 3.79Å; R367-E378 VanDerWaalsContact NE-CD 3.27Å; R367-E378 IonicContact NE-OE1 3.79Å; R367-E378 PolarHBondContact NE-OE1 3.14Å; R367-E378 IonicContact NE-OE2 3.22Å; R367-E378 PolarHBondContact NE-OE2 2.99Å; R367-E378 IonicContact NH2-OE1 3.25Å; R367-E378 PolarHBondContact NH2-OE1 3.36Å |
| 368 | V | 87.6 | Confident | 85.7 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.3 | -34.8 | 174.5 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | R364 L365 E366 V370 Q372 A375 I433 K437 | R364-V368 VanDerWaalsContact O-CG2 3.32Å; R364-V368 WeakPolarHBondContact O-CG2 3.25Å; R364-V368 PolarHBondContact O-N 3.46Å; L365-V368 WeakPolarHBondContact O-CB 3.4Å; L365-V368 PolarHBondContact O-N 2.88Å; E366-V368 PolarHBondContact O-N 3.45Å; V368-V370 VanDerWaalsContact C-N 3.33Å; V368-Q372 WeakPolarHBondContact O-CA 3.42Å; V368-Q372 PolarHBondContact O-N 3.29Å; V368-A375 HydrophobicContact CB-CB 4.33Å; V368-A375 HydrophobicContact CG1-CB 4.09Å; V368-A375 HydrophobicContact CG2-CB 4.13Å; V368-I433 HydrophobicContact CG1-CG2 4.14Å; V368-I433 WeakPolarHBondContact CG1-O 3.31Å; V368-K437 HydrophobicContact CB-CG 3.87Å; V368-K437 HydrophobicContact CG1-CG 3.83Å; V368-K437 HydrophobicContact CG2-CG 4.28Å |
| 369 | D | 87.6 | Confident | 85.3 | Confident | 65 Ų | 65 | 48.7 Ų | 48.7 | 35% | 0.348 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.1 | -36.5 | 175.5 | -64.2 | -45.6 | 0 | 0 | 0 | 112.1 | E366 R367 Q372 I433 K437 | E366-D369 WeakPolarHBondContact O-CA 3.13Å; E366-D369 VanDerWaalsContact O-CB 3.32Å; E366-D369 WeakPolarHBondContact O-CB 3.27Å; E366-D369 PolarHBondContact O-N 3.34Å; R367-D369 VanDerWaalsContact C-N 3.28Å; R367-D369 PolarHBondContact O-N 2.86Å; D369-Q372 VanDerWaalsContact O-CG 3.27Å; D369-Q372 WeakPolarHBondContact O-CG 3.01Å; D369-I433 WeakPolarHBondContact OD1-CG2 3.29Å; D369-K437 VanDerWaalsContact CG-CE 3.46Å; D369-K437 WeakPolarHBondContact OD1-CE 3.37Å; D369-K437 IonicContact OD1-NZ 3.38Å; D369-K437 PolarHBondContact OD1-NZ 3.47Å; D369-K437 VanDerWaalsContact OD2-CE 3.29Å; D369-K437 WeakPolarHBondContact OD2-CE 3.45Å; D369-K437 IonicContact OD2-NZ 3.02Å; D369-K437 PolarHBondContact OD2-NZ 2.81Å |
| 370 | V | 85.9 | Confident | 84.8 | Confident | 90 Ų | 90 | 53.2 Ų | 53.2 | 55% | 0.545 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -74.8 | -47.4 | 179.1 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | V316 E366 R367 V368 | V316-V370 HydrophobicContact CG1-CG1 4.09Å; V316-V370 HydrophobicContact CG2-CG1 3.99Å; V316-V370 HydrophobicContact CG2-CG2 4.5Å; E366-V370 PolarHBondContact O-N 3.42Å; R367-V370 PolarHBondContact O-N 3.47Å; V368-V370 VanDerWaalsContact C-N 3.33Å |
| 371 | L | 83.2 | Confident | 84.3 | Confident | 34 Ų | 34 | 56.4 Ų | 56.4 | 18% | 0.178 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -79 | -25.3 | -175.8 | -67.2 | -176.9 | 0 | 0 | 0 | 113.4 | V316 R367 E373 N374 A375 E378 | V316-L371 HydrophobicContact CG1-CD2 4.25Å; R367-L371 HydrophobicContact CG-CD1 3.68Å; R367-L371 HydrophobicContact CG-CG 4.02Å; R367-L371 WeakPolarHBondContact O-CB 3.48Å; R367-L371 WeakPolarHBondContact O-CG 3.28Å; R367-L371 PolarHBondContact O-N 3.17Å; L371-E373 PolarHBondContact O-N 3.01Å; L371-E373 VanDerWaalsContact O-N 3.16Å; L371-N374 HydrophobicContact CB-CB 4.3Å; L371-N374 WeakPolarHBondContact O-CB 3.17Å; L371-N374 PolarHBondContact O-N 2.91Å; L371-A375 HydrophobicContact CB-CB 4.04Å; L371-E378 HydrophobicContact CD1-CG 4.49Å; L371-E378 WeakPolarHBondContact CD1-OE1 3.22Å |
| 372 | Q | 84.6 | Confident | 83.6 | Confident | 97 Ų | 97 | 59.3 Ų | 59.3 | 45% | 0.453 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | 50.4 | -116.9 | -178.8 | -55.1 | -177.6 | -11.3 | 0 | 0 | 111.6 | V368 D369 N374 A375 I433 | V368-Q372 WeakPolarHBondContact O-CA 3.42Å; V368-Q372 PolarHBondContact O-N 3.29Å; D369-Q372 VanDerWaalsContact O-CG 3.27Å; D369-Q372 WeakPolarHBondContact O-CG 3.01Å; Q372-N374 PolarHBondContact O-N 3.22Å; Q372-A375 WeakPolarHBondContact O-CB 3.46Å; Q372-A375 PolarHBondContact O-N 3.05Å; Q372-A375 VanDerWaalsContact O-N 3.08Å; Q372-I433 HydrophobicContact CB-CD1 4.34Å; Q372-I433 HydrophobicContact CB-CG1 4.45Å; Q372-I433 HydrophobicContact CG-CD1 4.04Å |
| 373 | E | 73.5 | Confident | 83 | Confident | 126 Ų | 126 | 61.9 Ų | 61.9 | 59% | 0.589 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -61.7 | -27.9 | -180 | -62.3 | -174.3 | 167.1 | 0 | 0 | 113.2 | L371 A375 | L371-E373 PolarHBondContact O-N 3.01Å; L371-E373 VanDerWaalsContact O-N 3.16Å; E373-A375 PolarHBondContact O-N 3.06Å |
| 374 | N | 79.4 | Confident | 82.5 | Confident | 83 Ų | 83 | 64 Ų | 64 | 44% | 0.444 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -72.7 | -17.1 | 177.8 | -70 | -40.6 | 0 | 0 | 0 | 112.9 | L371 Q372 V376 R377 | L371-N374 HydrophobicContact CB-CB 4.3Å; L371-N374 WeakPolarHBondContact O-CB 3.17Å; L371-N374 PolarHBondContact O-N 2.91Å; Q372-N374 PolarHBondContact O-N 3.22Å; N374-V376 PolarHBondContact O-N 3.03Å; N374-R377 WeakPolarHBondContact O-CB 3.19Å; N374-R377 PolarHBondContact O-N 2.91Å; N374-R377 VanDerWaalsContact O-N 3.08Å |
| 375 | A | 79.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.3 | -29.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V368 L371 Q372 E373 R377 E378 L379 | V368-A375 HydrophobicContact CB-CB 4.33Å; V368-A375 HydrophobicContact CG1-CB 4.09Å; V368-A375 HydrophobicContact CG2-CB 4.13Å; L371-A375 HydrophobicContact CB-CB 4.04Å; Q372-A375 WeakPolarHBondContact O-CB 3.46Å; Q372-A375 PolarHBondContact O-N 3.05Å; Q372-A375 VanDerWaalsContact O-N 3.08Å; E373-A375 PolarHBondContact O-N 3.06Å; A375-R377 PolarHBondContact O-N 3.2Å; A375-E378 PolarHBondContact O-N 3.16Å; A375-L379 PolarHBondContact O-N 3.18Å |
| 376 | V | 78.1 | Confident | 81.8 | Confident | 36 Ų | 36 | 66.6 Ų | 66.6 | 22% | 0.218 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62 | -28.4 | 177.1 | -179.5 | 0 | 0 | 0 | 0 | 111.5 | N374 L379 N380 I491 | N374-V376 PolarHBondContact O-N 3.03Å; V376-L379 PolarHBondContact O-N 2.61Å; V376-N380 VanDerWaalsContact O-CG 3.27Å; V376-N380 PolarHBondContact O-N 3.26Å; V376-N380 PolarHBondContact O-ND2 3.11Å; V376-N380 VanDerWaalsContact O-ND2 3.15Å; V376-I491 HydrophobicContact CG1-CD1 4.45Å; V376-I491 HydrophobicContact CG1-CG2 4.13Å; V376-I491 HydrophobicContact CG2-CD1 4.32Å |
| 377 | R | 78.6 | Confident | 81.5 | Confident | 185 Ų | 185 | 65.2 Ų | 65.2 | 70% | 0.698 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -66.5 | -39.6 | 178.4 | -62 | -176.9 | -179.4 | -174 | 1.9 | 112 | N374 A375 L379 N380 | N374-R377 WeakPolarHBondContact O-CB 3.19Å; N374-R377 PolarHBondContact O-N 2.91Å; N374-R377 VanDerWaalsContact O-N 3.08Å; A375-R377 PolarHBondContact O-N 3.2Å; R377-L379 VanDerWaalsContact C-N 3.33Å; R377-N380 PolarHBondContact O-N 3.02Å |
| 378 | E | 78.6 | Confident | 81.5 | Confident | 59 Ų | 59 | 63.6 Ų | 63.6 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.1 | -37.8 | 177.4 | -61.6 | -172.1 | 160.8 | 0 | 0 | 111.4 | R367 L371 A375 N380 D381 | R367-E378 WeakPolarHBondContact CD-OE2 3.11Å; R367-E378 IonicContact CZ-OE1 3.79Å; R367-E378 VanDerWaalsContact NE-CD 3.27Å; R367-E378 IonicContact NE-OE1 3.79Å; R367-E378 PolarHBondContact NE-OE1 3.14Å; R367-E378 IonicContact NE-OE2 3.22Å; R367-E378 PolarHBondContact NE-OE2 2.99Å; R367-E378 IonicContact NH2-OE1 3.25Å; R367-E378 PolarHBondContact NH2-OE1 3.36Å; L371-E378 HydrophobicContact CD1-CG 4.49Å; L371-E378 WeakPolarHBondContact CD1-OE1 3.22Å; A375-E378 PolarHBondContact O-N 3.16Å; E378-N380 PolarHBondContact O-N 3.05Å; E378-D381 PolarHBondContact O-N 3.44Å |
| 379 | L | 81.1 | Confident | 81.6 | Confident | 6 Ų | 6 | 63.6 Ų | 63.6 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.4 | -18.6 | 177.7 | -69 | 173.4 | 0 | 0 | 0 | 113.8 | A375 V376 R377 V439 W440 Y443 I491 | A375-L379 PolarHBondContact O-N 3.18Å; V376-L379 PolarHBondContact O-N 2.61Å; R377-L379 VanDerWaalsContact C-N 3.33Å; L379-V439 HydrophobicContact CD1-CB 4.09Å; L379-V439 HydrophobicContact CD1-CG1 3.74Å; L379-V439 HydrophobicContact CD2-CG1 3.73Å; L379-V439 HydrophobicContact CG-CG1 4.24Å; L379-W440 HydrophobicContact CD2-CD2 3.93Å; L379-W440 HydrophobicContact CD2-CG 4Å; L379-W440 HydrophobicContact CD2-CZ2 4.12Å; L379-Y443 HydrophobicContact CD2-CD2 4.44Å; L379-Y443 HydrophobicContact CD2-CE2 4.42Å; L379-I491 HydrophobicContact CB-CG2 4.47Å; L379-I491 HydrophobicContact CD1-CD1 4.24Å |
| 380 | N | 80.8 | Confident | 81.5 | Confident | 99 Ų | 99 | 64.7 Ų | 64.7 | 53% | 0.529 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -85.1 | -17.8 | 177.3 | -74 | -30.9 | 0 | 0 | 0 | 113.2 | V376 R377 E378 F382 | V376-N380 VanDerWaalsContact O-CG 3.27Å; V376-N380 PolarHBondContact O-N 3.26Å; V376-N380 PolarHBondContact O-ND2 3.11Å; V376-N380 VanDerWaalsContact O-ND2 3.15Å; R377-N380 PolarHBondContact O-N 3.02Å; E378-N380 PolarHBondContact O-N 3.05Å; N380-F382 VanDerWaalsContact C-N 3.3Å; N380-F382 PolarHBondContact O-N 3.15Å |
| 381 | D | 81.5 | Confident | 81.4 | Confident | 66 Ų | 66 | 61 Ų | 61 | 35% | 0.353 | 30% | 0.298 | S | S | . | . | trans | -80.4 | 80.7 | 172.4 | -170.5 | -20.1 | 0 | 0 | 0 | 109.9 | E378 T383 L384 L385 | E378-D381 PolarHBondContact O-N 3.44Å; D381-T383 PolarHBondContact O-N 3.29Å; D381-T383 PolarHBondContact OD1-N 3.28Å; D381-T383 PolarHBondContact OD1-OG1 3.37Å; D381-L384 HydrophobicContact CB-CB 4.26Å; D381-L384 PolarHBondContact O-N 3.35Å; D381-L384 PolarHBondContact OD1-N 2.94Å; D381-L385 VanDerWaalsContact O-CB 3.25Å; D381-L385 WeakPolarHBondContact O-CB 3.34Å; D381-L385 PolarHBondContact O-N 2.93Å | ||
| 382 | F | 76.8 | Confident | 81.7 | Confident | 62 Ų | 62 | 59.3 Ų | 59.3 | 27% | 0.272 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.2 | -30.1 | -177.5 | -170.4 | -96.4 | 0 | 0 | 0 | 112.6 | N380 W386 M494 W498 | N380-F382 VanDerWaalsContact C-N 3.3Å; N380-F382 PolarHBondContact O-N 3.15Å; F382-W386 AromaticContact CE1-CE3 3.79Å; F382-W386 HydrophobicContact CE1-CE3 3.79Å; F382-W386 HydrophobicContact CE1-CZ3 4.35Å; F382-W386 AromaticContact CZ-CE3 3.75Å; F382-W386 HydrophobicContact CZ-CE3 3.75Å; F382-W386 HydrophobicContact CZ-CZ3 4.07Å; F382-W386 WeakPolarHBondContact O-CB 3.34Å; F382-W386 PolarHBondContact O-N 2.68Å; F382-M494 HydrophobicContact CD2-CE 4Å; F382-M494 HydrophobicContact CE2-CE 3.96Å; F382-W498 AromaticContact CE2-CD1 3.93Å; F382-W498 AromaticContact CZ-CD1 3.89Å |
| 383 | T | 78.1 | Confident | 81.8 | Confident | 104 Ų | 104 | 55.1 Ų | 55.1 | 64% | 0.638 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67.4 | -52.4 | 178.4 | 32.8 | 0 | 0 | 0 | 0 | 112 | D381 L385 W386 D387 | D381-T383 PolarHBondContact O-N 3.29Å; D381-T383 PolarHBondContact OD1-N 3.28Å; D381-T383 PolarHBondContact OD1-OG1 3.37Å; T383-L385 VanDerWaalsContact C-N 3.33Å; T383-L385 PolarHBondContact O-N 3.07Å; T383-W386 WeakPolarHBondContact O-CB 3.33Å; T383-W386 PolarHBondContact O-N 2.61Å; T383-D387 PolarHBondContact O-N 2.82Å |
| 384 | L | 80.7 | Confident | 82.1 | Confident | 46 Ų | 46 | 51 Ų | 51 | 24% | 0.241 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65 | -40 | 177.7 | 177.6 | 62.6 | 0 | 0 | 0 | 111.6 | P320 D381 W386 D387 Q388 | P320-L384 HydrophobicContact CB-CD2 4.11Å; D381-L384 HydrophobicContact CB-CB 4.26Å; D381-L384 PolarHBondContact O-N 3.35Å; D381-L384 PolarHBondContact OD1-N 2.94Å; L384-W386 VanDerWaalsContact C-N 3.32Å; L384-W386 PolarHBondContact O-N 3.09Å; L384-D387 PolarHBondContact O-N 2.83Å; L384-Q388 HydrophobicContact CD1-CG 4.44Å; L384-Q388 WeakPolarHBondContact O-CG 3.19Å; L384-Q388 PolarHBondContact O-N 2.96Å; L384-Q388 VanDerWaalsContact O-N 3.11Å |
| 385 | L | 84.6 | Confident | 82.2 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 176.8 | -178.2 | 67.3 | 0 | 0 | 0 | 111 | D381 T383 D387 Q388 M389 W440 Y443 | D381-L385 VanDerWaalsContact O-CB 3.25Å; D381-L385 WeakPolarHBondContact O-CB 3.34Å; D381-L385 PolarHBondContact O-N 2.93Å; T383-L385 VanDerWaalsContact C-N 3.33Å; T383-L385 PolarHBondContact O-N 3.07Å; L385-D387 PolarHBondContact O-N 2.81Å; L385-Q388 PolarHBondContact O-N 3.18Å; L385-M389 HydrophobicContact CD1-CG 4.08Å; L385-M389 HydrophobicContact CG-CG 4.25Å; L385-M389 WeakPolarHBondContact O-CB 3.38Å; L385-M389 WeakPolarHBondContact O-CG 3.46Å; L385-M389 PolarHBondContact O-N 2.66Å; L385-W440 HydrophobicContact CD1-CE3 4.22Å; L385-W440 HydrophobicContact CD1-CH2 3.63Å; L385-W440 HydrophobicContact CD1-CZ2 4.42Å; L385-W440 HydrophobicContact CD1-CZ3 3.52Å; L385-Y443 HydrophobicContact CD1-CD2 4.39Å; L385-Y443 HydrophobicContact CD1-CG 4.41Å; L385-Y443 HydrophobicContact CD2-CD1 3.86Å; L385-Y443 HydrophobicContact CD2-CD2 3.72Å; L385-Y443 HydrophobicContact CD2-CE1 3.59Å; L385-Y443 HydrophobicContact CD2-CE2 3.43Å; L385-Y443 VanDerWaalsContact CD2-CE2 3.43Å; L385-Y443 HydrophobicContact CD2-CG 3.94Å; L385-Y443 HydrophobicContact CG-CD1 4.43Å; L385-Y443 HydrophobicContact CG-CG 4.46Å |
| 386 | W | 82.3 | Confident | 82.5 | Confident | 85 Ų | 85 | 47 Ų | 47 | 32% | 0.322 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -57.8 | -48.4 | 178.4 | -173.9 | -85.5 | 0 | 0 | 0 | 111.9 | F382 T383 L384 M389 D390 W498 | F382-W386 AromaticContact CE1-CE3 3.79Å; F382-W386 HydrophobicContact CE1-CE3 3.79Å; F382-W386 HydrophobicContact CE1-CZ3 4.35Å; F382-W386 AromaticContact CZ-CE3 3.75Å; F382-W386 HydrophobicContact CZ-CE3 3.75Å; F382-W386 HydrophobicContact CZ-CZ3 4.07Å; F382-W386 WeakPolarHBondContact O-CB 3.34Å; F382-W386 PolarHBondContact O-N 2.68Å; T383-W386 WeakPolarHBondContact O-CB 3.33Å; T383-W386 PolarHBondContact O-N 2.61Å; L384-W386 VanDerWaalsContact C-N 3.32Å; L384-W386 PolarHBondContact O-N 3.09Å; W386-M389 PolarHBondContact O-N 3.07Å; W386-D390 PolarHBondContact O-N 3.08Å; W386-W498 AromaticContact CE3-CD1 3.8Å; W386-W498 AromaticContact CE3-NE1 3.38Å; W386-W498 AromaticContact CZ3-CD1 3.57Å; W386-W498 AromaticContact CZ3-NE1 3.29Å; W386-W498 VanDerWaalsContact CZ3-NE1 3.29Å |
| 387 | D | 81.9 | Confident | 82.5 | Confident | 76 Ų | 76 | 46.4 Ų | 46.4 | 41% | 0.406 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.8 | -42.5 | -178.4 | -66.3 | -18.4 | 0 | 0 | 0 | 112.1 | T383 L384 L385 M389 D390 Q391 | T383-D387 PolarHBondContact O-N 2.82Å; L384-D387 PolarHBondContact O-N 2.83Å; L385-D387 PolarHBondContact O-N 2.81Å; D387-M389 VanDerWaalsContact C-N 3.3Å; D387-M389 PolarHBondContact O-N 3.14Å; D387-D390 PolarHBondContact O-N 3.17Å; D387-Q391 WeakPolarHBondContact O-CG 3.4Å; D387-Q391 PolarHBondContact O-N 3.07Å; D387-Q391 VanDerWaalsContact O-N 3.12Å |
| 388 | Q | 86.9 | Confident | 82.4 | Confident | 11 Ų | 11 | 39.1 Ų | 39.1 | 5% | 0.051 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.5 | -40 | 175.3 | -70.4 | -175.8 | 37.3 | 0 | 0 | 111.8 | L327 L384 L385 F392 | L327-Q388 HydrophobicContact CD1-CB 4.1Å; L327-Q388 HydrophobicContact CD1-CG 3.87Å; L384-Q388 HydrophobicContact CD1-CG 4.44Å; L384-Q388 WeakPolarHBondContact O-CG 3.19Å; L384-Q388 PolarHBondContact O-N 2.96Å; L384-Q388 VanDerWaalsContact O-N 3.11Å; L385-Q388 PolarHBondContact O-N 3.18Å; Q388-F392 WeakPolarHBondContact O-CB 3.33Å; Q388-F392 PolarHBondContact O-N 2.97Å |
| 389 | M | 89.9 | Confident | 82.2 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71 | -35.7 | -179.4 | -78.1 | -45.9 | 90.4 | 0 | 0 | 112.3 | F360 L385 W386 D387 F392 S393 W440 M444 S447 W498 | F360-M389 HydrophobicContact CE1-CE 3.86Å; F360-M389 HydrophobicContact CZ-CE 3.93Å; L385-M389 HydrophobicContact CD1-CG 4.08Å; L385-M389 HydrophobicContact CG-CG 4.25Å; L385-M389 WeakPolarHBondContact O-CB 3.38Å; L385-M389 WeakPolarHBondContact O-CG 3.46Å; L385-M389 PolarHBondContact O-N 2.66Å; W386-M389 PolarHBondContact O-N 3.07Å; D387-M389 VanDerWaalsContact C-N 3.3Å; D387-M389 PolarHBondContact O-N 3.14Å; M389-F392 HydrophobicContact CE-CB 4.36Å; M389-S393 PolarHBondContact O-N 3.05Å; M389-W440 HydrophobicContact CE-CE3 4.46Å; M389-W440 HydrophobicContact CE-CZ3 3.82Å; M389-M444 HydrophobicContact SD-CG 4.21Å; M389-S447 WeakPolarHBondContact CA-OG 2.97Å; M389-S447 WeakPolarHBondContact CB-OG 3.4Å; M389-S447 WeakPolarHBondContact O-CB 3.03Å; M389-S447 PolarHBondContact O-OG 3.31Å; M389-W498 HydrophobicContact CB-CH2 4.42Å; M389-W498 HydrophobicContact CB-CZ2 3.97Å; M389-W498 HydrophobicContact CG-CH2 4.49Å; M389-W498 HydrophobicContact CG-CZ2 4.31Å |
| 390 | D | 84.9 | Confident | 82.2 | Confident | 88 Ų | 88 | 40.7 Ų | 40.7 | 47% | 0.471 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.7 | -47.4 | 174.5 | -160.6 | 62.9 | 0 | 0 | 0 | 110.8 | W386 D387 F392 S393 | W386-D390 PolarHBondContact O-N 3.08Å; D387-D390 PolarHBondContact O-N 3.17Å; D390-F392 PolarHBondContact O-N 3.27Å; D390-S393 WeakPolarHBondContact O-CB 3.27Å; D390-S393 PolarHBondContact O-N 2.92Å; D390-S393 VanDerWaalsContact O-N 3.16Å; D390-S393 PolarHBondContact O-OG 3.42Å |
| 391 | Q | 85.7 | Confident | 82.3 | Confident | 12 Ų | 12 | 38.9 Ų | 38.9 | 6% | 0.056 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 175.4 | -67.1 | 166.8 | -17.5 | 0 | 0 | 112.1 | H324 L327 D331 D387 S393 T394 F395 | H324-Q391 PolarHBondContact CE1-NE2 3.1Å; H324-Q391 VanDerWaalsContact CE1-NE2 3.34Å; H324-Q391 PolarHBondContact ND1-NE2 3.13Å; H324-Q391 PolarHBondContact O-NE2 2.91Å; L327-Q391 HydrophobicContact CB-CB 4.06Å; L327-Q391 HydrophobicContact CB-CG 4.48Å; D331-Q391 HydrophobicContact CB-CB 4.44Å; D387-Q391 WeakPolarHBondContact O-CG 3.4Å; D387-Q391 PolarHBondContact O-N 3.07Å; D387-Q391 VanDerWaalsContact O-N 3.12Å; Q391-S393 VanDerWaalsContact C-N 3.27Å; Q391-S393 PolarHBondContact O-N 2.99Å; Q391-T394 PolarHBondContact O-N 3.04Å; Q391-F395 WeakPolarHBondContact O-CD1 3.21Å; Q391-F395 VanDerWaalsContact O-CE1 3.22Å; Q391-F395 WeakPolarHBondContact O-CE1 3.37Å |
| 392 | F | 88.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.7 | -35.4 | 175.5 | 176.4 | -97.3 | 0 | 0 | 0 | 112.9 | T357 F360 I361 Q388 M389 D390 T394 F395 C396 M444 | T357-F392 HydrophobicContact CG2-CE2 4.03Å; T357-F392 HydrophobicContact CG2-CZ 4.37Å; F360-F392 AromaticContact CD1-CD2 3.38Å; F360-F392 HydrophobicContact CD1-CD2 3.38Å; F360-F392 AromaticContact CD1-CE2 3.68Å; F360-F392 HydrophobicContact CD1-CE2 3.68Å; F360-F392 HydrophobicContact CD1-CG 4.28Å; F360-F392 HydrophobicContact CE1-CB 4.33Å; F360-F392 AromaticContact CE1-CD2 3.65Å; F360-F392 HydrophobicContact CE1-CD2 3.65Å; F360-F392 HydrophobicContact CE1-CE2 4.24Å; F360-F392 HydrophobicContact CE1-CG 4.1Å; F360-F392 HydrophobicContact CG-CD2 4.22Å; I361-F392 HydrophobicContact CD1-CE2 4.29Å; I361-F392 HydrophobicContact CD1-CZ 4.05Å; I361-F392 HydrophobicContact CG1-CE2 3.96Å; I361-F392 HydrophobicContact CG1-CZ 3.98Å; Q388-F392 WeakPolarHBondContact O-CB 3.33Å; Q388-F392 PolarHBondContact O-N 2.97Å; M389-F392 HydrophobicContact CE-CB 4.36Å; D390-F392 PolarHBondContact O-N 3.27Å; F392-T394 PolarHBondContact O-N 3.21Å; F392-F395 HydrophobicContact CB-CE1 4.43Å; F392-F395 HydrophobicContact CB-CZ 4.03Å; F392-F395 HydrophobicContact CD2-CD2 4.44Å; F392-F395 AromaticContact CD2-CE2 3.52Å; F392-F395 HydrophobicContact CD2-CE2 3.52Å; F392-F395 AromaticContact CD2-CZ 3.74Å; F392-F395 HydrophobicContact CD2-CZ 3.74Å; F392-F395 HydrophobicContact CE2-CE2 4.14Å; F392-F395 HydrophobicContact CG-CE2 4.36Å; F392-F395 HydrophobicContact CG-CZ 4.33Å; F392-F395 PolarHBondContact O-N 3.23Å; F392-C396 HydrophobicContact CD1-CB 4.23Å; F392-C396 HydrophobicContact CD2-CB 4.48Å; F392-C396 HydrophobicContact CE1-CB 3.8Å; F392-C396 HydrophobicContact CE2-CB 4.08Å; F392-C396 HydrophobicContact CZ-CB 3.71Å; F392-C396 WeakPolarHBondContact O-CB 3.37Å; F392-C396 PolarHBondContact O-N 3.04Å; F392-M444 HydrophobicContact CD1-CG 4.45Å; F392-M444 HydrophobicContact CE1-CB 3.78Å; F392-M444 HydrophobicContact CE1-CG 4.03Å; F392-M444 HydrophobicContact CZ-CB 4.12Å; F392-M444 HydrophobicContact CZ-CG 4.18Å; F392-M444 HydrophobicContact CZ-SD 4.44Å |
| 393 | S | 86.9 | Confident | 83 | Confident | 9 Ų | 9 | 36 Ų | 36 | 6% | 0.063 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.6 | -37.7 | -177.8 | 79.6 | 0 | 0 | 0 | 0 | 112.6 | M389 D390 Q391 S447 | M389-S393 PolarHBondContact O-N 3.05Å; D390-S393 WeakPolarHBondContact O-CB 3.27Å; D390-S393 PolarHBondContact O-N 2.92Å; D390-S393 VanDerWaalsContact O-N 3.16Å; D390-S393 PolarHBondContact O-OG 3.42Å; Q391-S393 VanDerWaalsContact C-N 3.27Å; Q391-S393 PolarHBondContact O-N 2.99Å; S393-S447 WeakPolarHBondContact CA-O 3.43Å; S393-S447 WeakPolarHBondContact CB-O 3.35Å |
| 394 | T | 80.3 | Confident | 83.5 | Confident | 39 Ų | 39 | 31 Ų | 31 | 24% | 0.239 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -72.7 | -53.4 | -177.8 | -50.7 | 0 | 0 | 0 | 0 | 112 | D331 Q391 F392 Y398 | D331-T394 WeakPolarHBondContact OD1-CB 3.35Å; D331-T394 WeakPolarHBondContact OD1-CG2 3.16Å; D331-T394 PolarHBondContact OD1-OG1 2.82Å; Q391-T394 PolarHBondContact O-N 3.04Å; F392-T394 PolarHBondContact O-N 3.21Å; T394-Y398 WeakPolarHBondContact O-CD2 3.35Å; T394-Y398 WeakPolarHBondContact O-CE2 3.49Å |
| 395 | F | 81.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -78.5 | -25 | -172.7 | 61.2 | -106.6 | 0 | 0 | 0 | 113.7 | L327 I334 I356 T357 Q391 F392 R397 Y398 | L327-F395 HydrophobicContact CD2-CE1 3.9Å; L327-F395 HydrophobicContact CD2-CZ 3.75Å; I334-F395 HydrophobicContact CB-CB 4.13Å; I334-F395 HydrophobicContact CD1-CB 3.49Å; I334-F395 VanDerWaalsContact CD1-CB 3.49Å; I334-F395 HydrophobicContact CD1-CG 4.34Å; I334-F395 HydrophobicContact CG1-CB 4.4Å; I334-F395 HydrophobicContact CG2-CB 3.79Å; I356-F395 HydrophobicContact CG2-CE2 4.34Å; T357-F395 WeakPolarHBondContact OG1-CD2 3.34Å; T357-F395 PolarHBondContact OG1-O 3.36Å; Q391-F395 WeakPolarHBondContact O-CD1 3.21Å; Q391-F395 VanDerWaalsContact O-CE1 3.22Å; Q391-F395 WeakPolarHBondContact O-CE1 3.37Å; F392-F395 HydrophobicContact CB-CE1 4.43Å; F392-F395 HydrophobicContact CB-CZ 4.03Å; F392-F395 HydrophobicContact CD2-CD2 4.44Å; F392-F395 AromaticContact CD2-CE2 3.52Å; F392-F395 HydrophobicContact CD2-CE2 3.52Å; F392-F395 AromaticContact CD2-CZ 3.74Å; F392-F395 HydrophobicContact CD2-CZ 3.74Å; F392-F395 HydrophobicContact CE2-CE2 4.14Å; F392-F395 HydrophobicContact CG-CE2 4.36Å; F392-F395 HydrophobicContact CG-CZ 4.33Å; F392-F395 PolarHBondContact O-N 3.23Å; F395-R397 PolarHBondContact O-N 2.96Å; F395-Y398 PolarHBondContact O-N 3.19Å |
| 396 | C | 84 | Confident | 84 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -25.5 | 175.4 | -178.1 | 0 | 0 | 0 | 0 | 113.1 | T357 F392 Y398 | T357-C396 HydrophobicContact CG2-CB 4.08Å; F392-C396 HydrophobicContact CD1-CB 4.23Å; F392-C396 HydrophobicContact CD2-CB 4.48Å; F392-C396 HydrophobicContact CE1-CB 3.8Å; F392-C396 HydrophobicContact CE2-CB 4.08Å; F392-C396 HydrophobicContact CZ-CB 3.71Å; F392-C396 WeakPolarHBondContact O-CB 3.37Å; F392-C396 PolarHBondContact O-N 3.04Å; C396-Y398 VanDerWaalsContact C-N 3.29Å; C396-Y398 PolarHBondContact O-N 3.23Å |
| 397 | R | 79.4 | Confident | 84.4 | Confident | 23 Ų | 23 | 30.3 Ų | 30.3 | 9% | 0.087 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -10 | -178.8 | -76.6 | -76.9 | -174.5 | 167.1 | 1.1 | 114.1 | F395 Y400 A448 I449 D465 | F395-R397 PolarHBondContact O-N 2.96Å; R397-Y400 HydrophobicContact CG-CD2 4.43Å; R397-Y400 WeakPolarHBondContact O-CB 3.2Å; R397-Y400 PolarHBondContact O-N 3.5Å; R397-A448 PolarHBondContact NE-O 3.06Å; R397-A448 PolarHBondContact NH2-O 2.74Å; R397-I449 PolarHBondContact NH2-O 3.13Å; R397-I449 VanDerWaalsContact NH2-O 3.12Å; R397-D465 IonicContact CZ-OD1 2.63Å; R397-D465 IonicContact CZ-OD2 2.82Å; R397-D465 VanDerWaalsContact CZ-OD2 3.23Å; R397-D465 IonicContact NH1-OD1 2.63Å; R397-D465 IonicContact NH1-OD2 3.74Å; R397-D465 PolarHBondContact NH1-OD2 3.36Å; R397-D465 VanDerWaalsContact NH2-CG 3.3Å; R397-D465 IonicContact NH2-OD1 2.93Å; R397-D465 PolarHBondContact NH2-OD1 2.96Å; R397-D465 IonicContact NH2-OD2 3.44Å; R397-D465 PolarHBondContact NH2-OD2 2.92Å |
| 398 | Y | 75.8 | Confident | 84.9 | Confident | 32 Ų | 32 | 26.9 Ų | 26.9 | 13% | 0.125 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 127 | 174.3 | -67.6 | -93.3 | 0 | 0 | 0 | 109.2 | I334 S335 L337 T394 F395 C396 Y400 | I334-Y398 HydrophobicContact CG2-CD1 4.22Å; I334-Y398 HydrophobicContact CG2-CD2 3.09Å; I334-Y398 HydrophobicContact CG2-CE1 4.31Å; I334-Y398 HydrophobicContact CG2-CE2 3.2Å; I334-Y398 HydrophobicContact CG2-CG 3.63Å; I334-Y398 PolarHBondContact O-OH 3.29Å; S335-Y398 PolarHBondContact O-OH 3.32Å; L337-Y398 HydrophobicContact CB-CD1 4.16Å; L337-Y398 HydrophobicContact CB-CE1 3.39Å; L337-Y398 HydrophobicContact CD1-CD1 3.63Å; L337-Y398 HydrophobicContact CD1-CE1 3.71Å; L337-Y398 HydrophobicContact CD1-CG 4.34Å; L337-Y398 HydrophobicContact CG-CE1 4.18Å; T394-Y398 WeakPolarHBondContact O-CD2 3.35Å; T394-Y398 WeakPolarHBondContact O-CE2 3.49Å; F395-Y398 PolarHBondContact O-N 3.19Å; C396-Y398 VanDerWaalsContact C-N 3.29Å; C396-Y398 PolarHBondContact O-N 3.23Å; Y398-Y400 VanDerWaalsContact C-N 3.3Å; Y398-Y400 PolarHBondContact O-N 3.2Å |
| 399 | H | 74.7 | Confident | 85.1 | Confident | 93 Ų | 93 | 30.6 Ų | 30.6 | 43% | 0.431 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 44.2 | -162 | -67.2 | -73.3 | 0 | 0 | 0 | 113.5 | E350 A401 S402 S403 | E350-H399 WeakPolarHBondContact CB-NE2 3.48Å; H399-A401 PolarHBondContact O-N 2.99Å; H399-S402 PolarHBondContact O-N 3.35Å; H399-S402 VanDerWaalsContact O-N 3.09Å; H399-S402 PolarHBondContact O-OG 3.27Å; H399-S403 PolarHBondContact O-N 3.4Å; H399-S403 PolarHBondContact O-OG 3.1Å |
| 400 | Y | 81.6 | Confident | 85.1 | Confident | 5 Ų | 5 | 31.1 Ų | 31.1 | 2% | 0.02 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -53.2 | -36.6 | -172.9 | -167.1 | -128.5 | 0 | 0 | 0 | 114.9 | R397 Y398 S402 S403 A404 A448 N461 K464 D465 M468 | R397-Y400 HydrophobicContact CG-CD2 4.43Å; R397-Y400 WeakPolarHBondContact O-CB 3.2Å; R397-Y400 PolarHBondContact O-N 3.5Å; Y398-Y400 VanDerWaalsContact C-N 3.3Å; Y398-Y400 PolarHBondContact O-N 3.2Å; Y400-S402 VanDerWaalsContact C-N 3.3Å; Y400-S402 PolarHBondContact O-N 3.5Å; Y400-S403 PolarHBondContact O-N 3.43Å; Y400-A404 HydrophobicContact CD1-CB 4.36Å; Y400-A404 HydrophobicContact CD2-CB 4.39Å; Y400-A404 HydrophobicContact CE1-CB 4.21Å; Y400-A404 HydrophobicContact CE2-CB 4.2Å; Y400-A404 HydrophobicContact CG-CB 4.48Å; Y400-A404 WeakPolarHBondContact O-CB 3.15Å; Y400-A404 PolarHBondContact O-N 2.87Å; Y400-A448 HydrophobicContact CE2-CB 3.99Å; Y400-N461 HydrophobicContact CD1-CB 3.78Å; Y400-N461 HydrophobicContact CE1-CB 4.34Å; Y400-K464 HydrophobicContact CE1-CB 4.31Å; Y400-D465 WeakPolarHBondContact CE1-OD1 2.91Å; Y400-D465 VanDerWaalsContact CZ-OD1 3.27Å; Y400-D465 PolarHBondContact OH-OD1 3.09Å; Y400-M468 HydrophobicContact CE1-CE 4.08Å; Y400-M468 HydrophobicContact CE2-CE 4.36Å; Y400-M468 WeakPolarHBondContact OH-CE 3.36Å |
| 401 | A | 83.4 | Confident | 85.6 | Confident | 60 Ų | 60 | 27 Ų | 27 | 50% | 0.496 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -56.4 | -42.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | H399 E405 | H399-A401 PolarHBondContact O-N 2.99Å; A401-E405 WeakPolarHBondContact O-CB 3.24Å; A401-E405 PolarHBondContact O-N 2.82Å; A401-E405 VanDerWaalsContact O-N 3.11Å |
| 402 | S | 85.1 | Confident | 85.9 | Confident | 61 Ų | 61 | 29.1 Ų | 29.1 | 43% | 0.427 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -74.4 | -41.3 | 177.3 | 47.1 | 0 | 0 | 0 | 0 | 112.3 | H399 Y400 W406 | H399-S402 PolarHBondContact O-N 3.35Å; H399-S402 VanDerWaalsContact O-N 3.09Å; H399-S402 PolarHBondContact O-OG 3.27Å; Y400-S402 VanDerWaalsContact C-N 3.3Å; Y400-S402 PolarHBondContact O-N 3.5Å; S402-W406 VanDerWaalsContact O-CB 3.3Å; S402-W406 WeakPolarHBondContact O-CB 3.41Å; S402-W406 PolarHBondContact O-N 3.2Å |
| 403 | S | 86.2 | Confident | 86.1 | Confident | 6 Ų | 6 | 35.9 Ų | 35.9 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.2 | -44.1 | 179.9 | -52.4 | 0 | 0 | 0 | 0 | 111.3 | H399 Y400 W406 L407 | H399-S403 PolarHBondContact O-N 3.4Å; H399-S403 PolarHBondContact O-OG 3.1Å; Y400-S403 PolarHBondContact O-N 3.43Å; S403-W406 PolarHBondContact O-N 3.22Å; S403-L407 WeakPolarHBondContact O-CB 3.32Å; S403-L407 WeakPolarHBondContact O-CG 3.37Å; S403-L407 PolarHBondContact O-N 2.97Å |
| 404 | A | 88.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.8 | -46.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y400 W406 L407 L408 K464 M468 | Y400-A404 HydrophobicContact CD1-CB 4.36Å; Y400-A404 HydrophobicContact CD2-CB 4.39Å; Y400-A404 HydrophobicContact CE1-CB 4.21Å; Y400-A404 HydrophobicContact CE2-CB 4.2Å; Y400-A404 HydrophobicContact CG-CB 4.48Å; Y400-A404 WeakPolarHBondContact O-CB 3.15Å; Y400-A404 PolarHBondContact O-N 2.87Å; A404-W406 PolarHBondContact O-N 2.9Å; A404-L407 PolarHBondContact O-N 3.5Å; A404-L408 WeakPolarHBondContact O-CB 3.31Å; A404-L408 VanDerWaalsContact O-CG 3.31Å; A404-L408 WeakPolarHBondContact O-CG 3.46Å; A404-L408 PolarHBondContact O-N 3.02Å; A404-K464 HydrophobicContact CB-CB 4.05Å; A404-K464 HydrophobicContact CB-CD 4.36Å; A404-K464 HydrophobicContact CB-CG 4.4Å; A404-M468 HydrophobicContact CB-CE 3.47Å; A404-M468 VanDerWaalsContact CB-CE 3.47Å; A404-M468 HydrophobicContact CB-SD 4.26Å |
| 405 | E | 90.2 | Very high | 86.8 | Confident | 71 Ų | 71 | 35.8 Ų | 35.8 | 33% | 0.332 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.4 | -40.1 | 176.4 | -176 | 61.3 | -150.6 | 0 | 0 | 111.2 | A401 L408 Q409 K464 | A401-E405 WeakPolarHBondContact O-CB 3.24Å; A401-E405 PolarHBondContact O-N 2.82Å; A401-E405 VanDerWaalsContact O-N 3.11Å; E405-L408 WeakPolarHBondContact O-CB 3.36Å; E405-L408 PolarHBondContact O-N 2.83Å; E405-Q409 VanDerWaalsContact O-CG 3.27Å; E405-Q409 WeakPolarHBondContact O-CG 3.4Å; E405-Q409 PolarHBondContact O-N 3.42Å; E405-Q409 PolarHBondContact OE1-NE2 3.04Å; E405-K464 IonicContact OE2-NZ 3.83Å; E405-K464 PolarHBondContact OE2-NZ 3.07Å |
| 406 | W | 85.9 | Confident | 87.1 | Confident | 49 Ų | 49 | 37.5 Ų | 37.5 | 19% | 0.186 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -74.8 | -38.1 | -179.5 | -173 | 43.1 | 0 | 0 | 0 | 113.4 | R358 I361 E362 S402 S403 A404 L408 Q409 S410 | R358-W406 VanDerWaalsContact CA-CZ3 3.41Å; R358-W406 HydrophobicContact CB-CH2 4.22Å; R358-W406 HydrophobicContact CB-CZ3 3.99Å; R358-W406 HydrophobicContact CG-CE3 4.19Å; R358-W406 HydrophobicContact CG-CH2 3.37Å; R358-W406 HydrophobicContact CG-CZ2 3.96Å; R358-W406 HydrophobicContact CG-CZ3 3.54Å; R358-W406 WeakPolarHBondContact O-CH2 3.22Å; R358-W406 WeakPolarHBondContact O-CZ3 3.23Å; I361-W406 HydrophobicContact CB-CE3 4.4Å; I361-W406 HydrophobicContact CB-CH2 3.76Å; I361-W406 HydrophobicContact CB-CZ3 3.47Å; I361-W406 VanDerWaalsContact CB-CZ3 3.47Å; I361-W406 HydrophobicContact CD1-CE3 3.7Å; I361-W406 HydrophobicContact CD1-CZ3 3.47Å; I361-W406 VanDerWaalsContact CD1-CZ3 3.47Å; I361-W406 HydrophobicContact CG1-CZ3 3.99Å; I361-W406 HydrophobicContact CG2-CE3 4.39Å; I361-W406 HydrophobicContact CG2-CH2 3.86Å; I361-W406 HydrophobicContact CG2-CZ3 3.75Å; E362-W406 HydrophobicContact CB-CH2 4.23Å; E362-W406 HydrophobicContact CG-CH2 3.56Å; E362-W406 HydrophobicContact CG-CZ2 3.52Å; E362-W406 WeakPolarHBondContact OE1-CZ2 3.34Å; S402-W406 VanDerWaalsContact O-CB 3.3Å; S402-W406 WeakPolarHBondContact O-CB 3.41Å; S402-W406 PolarHBondContact O-N 3.2Å; S403-W406 PolarHBondContact O-N 3.22Å; A404-W406 PolarHBondContact O-N 2.9Å; W406-L408 VanDerWaalsContact C-N 3.31Å; W406-L408 PolarHBondContact O-N 3.44Å; W406-Q409 PolarHBondContact O-N 3.36Å; W406-S410 WeakPolarHBondContact O-CB 3.35Å; W406-S410 PolarHBondContact O-N 3.46Å; W406-S410 PolarHBondContact O-OG 2.93Å |
| 407 | L | 91 | Very high | 87.3 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.7 | -42.8 | 169.2 | -77 | 173.4 | 0 | 0 | 0 | 111.1 | I361 S403 A404 S410 F411 M444 A448 M468 | I361-L407 HydrophobicContact CD1-CD2 3.64Å; I361-L407 HydrophobicContact CD1-CG 3.97Å; I361-L407 HydrophobicContact CG1-CD2 4.13Å; I361-L407 HydrophobicContact CG2-CD2 4.32Å; S403-L407 WeakPolarHBondContact O-CB 3.32Å; S403-L407 WeakPolarHBondContact O-CG 3.37Å; S403-L407 PolarHBondContact O-N 2.97Å; A404-L407 PolarHBondContact O-N 3.5Å; L407-S410 PolarHBondContact O-N 2.96Å; L407-F411 WeakPolarHBondContact O-CB 3.44Å; L407-F411 PolarHBondContact O-N 3.38Å; L407-M444 HydrophobicContact CD2-CB 3.98Å; L407-A448 HydrophobicContact CD1-CB 4.15Å; L407-M468 HydrophobicContact CB-SD 4.38Å |
| 408 | L | 92.3 | Very high | 87.6 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.8 | -48.7 | 175.9 | -79 | 166.6 | 0 | 0 | 0 | 112.1 | A404 E405 W406 S410 F411 D412 K464 E467 M468 R471 | A404-L408 WeakPolarHBondContact O-CB 3.31Å; A404-L408 VanDerWaalsContact O-CG 3.31Å; A404-L408 WeakPolarHBondContact O-CG 3.46Å; A404-L408 PolarHBondContact O-N 3.02Å; E405-L408 WeakPolarHBondContact O-CB 3.36Å; E405-L408 PolarHBondContact O-N 2.83Å; W406-L408 VanDerWaalsContact C-N 3.31Å; W406-L408 PolarHBondContact O-N 3.44Å; L408-S410 VanDerWaalsContact C-N 3.34Å; L408-S410 PolarHBondContact O-N 3.03Å; L408-F411 PolarHBondContact O-N 3.37Å; L408-D412 WeakPolarHBondContact O-CB 2.9Å; L408-D412 VanDerWaalsContact O-CG 3.28Å; L408-D412 PolarHBondContact O-N 3.4Å; L408-K464 HydrophobicContact CD1-CD 4.34Å; L408-E467 HydrophobicContact CD1-CB 4.27Å; L408-E467 HydrophobicContact CD1-CG 3.85Å; L408-E467 WeakPolarHBondContact CD1-OE2 3.24Å; L408-E467 HydrophobicContact CD2-CG 4.07Å; L408-M468 HydrophobicContact CD1-CG 4.09Å; L408-M468 HydrophobicContact CD2-CB 4.24Å; L408-M468 HydrophobicContact CD2-CG 3.47Å; L408-M468 VanDerWaalsContact CD2-CG 3.47Å; L408-M468 HydrophobicContact CG-CG 3.54Å; L408-M468 HydrophobicContact CG-SD 4.49Å; L408-R471 HydrophobicContact CD2-CG 3.96Å |
| 409 | Q | 92.5 | Very high | 88 | Confident | 90 Ų | 90 | 39.7 Ų | 39.7 | 42% | 0.421 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61 | -44.1 | 178 | -73.7 | 173.6 | 13.9 | 0 | 0 | 111.8 | E405 W406 D412 Q413 | E405-Q409 VanDerWaalsContact O-CG 3.27Å; E405-Q409 WeakPolarHBondContact O-CG 3.4Å; E405-Q409 PolarHBondContact O-N 3.42Å; E405-Q409 PolarHBondContact OE1-NE2 3.04Å; W406-Q409 PolarHBondContact O-N 3.36Å; Q409-D412 PolarHBondContact O-N 2.91Å; Q409-Q413 WeakPolarHBondContact O-CB 2.95Å; Q409-Q413 VanDerWaalsContact O-CG 3.24Å; Q409-Q413 WeakPolarHBondContact O-CG 3.42Å; Q409-Q413 PolarHBondContact O-N 3.09Å; Q409-Q413 VanDerWaalsContact O-N 3.07Å |
| 410 | S | 89.9 | Confident | 88.4 | Confident | 11 Ų | 11 | 40 Ų | 40 | 8% | 0.077 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.7 | -43.9 | 177.2 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | W406 L407 L408 Q413 L414 | W406-S410 WeakPolarHBondContact O-CB 3.35Å; W406-S410 PolarHBondContact O-N 3.46Å; W406-S410 PolarHBondContact O-OG 2.93Å; L407-S410 PolarHBondContact O-N 2.96Å; L408-S410 VanDerWaalsContact C-N 3.34Å; L408-S410 PolarHBondContact O-N 3.03Å; S410-Q413 PolarHBondContact O-N 2.87Å; S410-L414 WeakPolarHBondContact O-CB 3.45Å; S410-L414 VanDerWaalsContact O-CG 3.23Å; S410-L414 WeakPolarHBondContact O-CG 3.32Å; S410-L414 PolarHBondContact O-N 3.08Å |
| 411 | F | 93.9 | Very high | 88.2 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 1% | 0.013 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.4 | -49.4 | 176.3 | -178.8 | -94.2 | 0 | 0 | 0 | 111.8 | L407 L408 Q413 L414 V415 L438 T441 L442 I445 R471 V472 L475 | L407-F411 WeakPolarHBondContact O-CB 3.44Å; L407-F411 PolarHBondContact O-N 3.38Å; L408-F411 PolarHBondContact O-N 3.37Å; F411-Q413 PolarHBondContact O-N 2.93Å; F411-L414 PolarHBondContact O-N 2.72Å; F411-V415 HydrophobicContact CD1-CG2 3.96Å; F411-V415 HydrophobicContact CD2-CG2 4.44Å; F411-V415 HydrophobicContact CE1-CG2 3.55Å; F411-V415 HydrophobicContact CE2-CG2 4.09Å; F411-V415 HydrophobicContact CG-CG2 4.39Å; F411-V415 HydrophobicContact CZ-CG2 3.64Å; F411-V415 WeakPolarHBondContact O-CB 3.3Å; F411-V415 WeakPolarHBondContact O-CG2 3.49Å; F411-V415 PolarHBondContact O-N 3.07Å; F411-L438 HydrophobicContact CD2-CD1 3.82Å; F411-L438 HydrophobicContact CE2-CD1 3.75Å; F411-T441 HydrophobicContact CB-CG2 3.89Å; F411-T441 HydrophobicContact CD2-CG2 3.98Å; F411-T441 HydrophobicContact CG-CG2 4.46Å; F411-L442 HydrophobicContact CE2-CD2 3.82Å; F411-L442 HydrophobicContact CE2-CG 4.42Å; F411-I445 HydrophobicContact CB-CD1 4.15Å; F411-I445 HydrophobicContact CD2-CD1 3.6Å; F411-I445 HydrophobicContact CE2-CD1 4.21Å; F411-I445 HydrophobicContact CG-CD1 3.97Å; F411-R471 HydrophobicContact CD1-CB 3.94Å; F411-R471 HydrophobicContact CE1-CB 3.6Å; F411-V472 HydrophobicContact CE2-CG2 3.95Å; F411-V472 HydrophobicContact CZ-CG2 3.94Å; F411-L475 HydrophobicContact CE2-CD2 3.91Å; F411-L475 HydrophobicContact CZ-CB 4.05Å; F411-L475 HydrophobicContact CZ-CD2 3.6Å; F411-L475 HydrophobicContact CZ-CG 4.44Å |
| 412 | D | 93 | Very high | 87.5 | Confident | 56 Ų | 56 | 40.5 Ų | 40.5 | 30% | 0.299 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.8 | -41.9 | -179.1 | -73.8 | -22.2 | 0 | 0 | 0 | 112.3 | L408 Q409 V415 G416 R471 | L408-D412 WeakPolarHBondContact O-CB 2.9Å; L408-D412 VanDerWaalsContact O-CG 3.28Å; L408-D412 PolarHBondContact O-N 3.4Å; Q409-D412 PolarHBondContact O-N 2.91Å; D412-V415 PolarHBondContact O-N 2.75Å; D412-G416 PolarHBondContact O-N 2.92Å; D412-R471 IonicContact OD1-CZ 2.83Å; D412-R471 IonicContact OD1-NH1 3.54Å; D412-R471 PolarHBondContact OD1-NH1 3.4Å; D412-R471 IonicContact OD2-CZ 2.64Å; D412-R471 IonicContact OD2-NH1 3.14Å; D412-R471 PolarHBondContact OD2-NH1 2.96Å; D412-R471 IonicContact OD2-NH2 3.08Å |
| 413 | Q | 92.9 | Very high | 86.7 | Confident | 142 Ų | 142 | 42.8 Ų | 42.8 | 66% | 0.664 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -60.6 | -45.8 | 174.9 | -73.9 | 176.5 | 12 | 0 | 0 | 111.3 | Q409 S410 F411 G416 A417 | Q409-Q413 WeakPolarHBondContact O-CB 2.95Å; Q409-Q413 VanDerWaalsContact O-CG 3.24Å; Q409-Q413 WeakPolarHBondContact O-CG 3.42Å; Q409-Q413 PolarHBondContact O-N 3.09Å; Q409-Q413 VanDerWaalsContact O-N 3.07Å; S410-Q413 PolarHBondContact O-N 2.87Å; F411-Q413 PolarHBondContact O-N 2.93Å; Q413-G416 PolarHBondContact O-N 3.4Å; Q413-A417 WeakPolarHBondContact O-CB 3.48Å; Q413-A417 PolarHBondContact O-N 3.06Å |
| 414 | L | 91.7 | Very high | 85.7 | Confident | 22 Ų | 22 | 48.1 Ų | 48.1 | 12% | 0.115 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.6 | -38.5 | 179.2 | -69.4 | 171.5 | 0 | 0 | 0 | 112.4 | L365 S410 F411 A417 Y418 K437 L438 T441 | L365-L414 HydrophobicContact CD2-CD1 4.21Å; S410-L414 WeakPolarHBondContact O-CB 3.45Å; S410-L414 VanDerWaalsContact O-CG 3.23Å; S410-L414 WeakPolarHBondContact O-CG 3.32Å; S410-L414 PolarHBondContact O-N 3.08Å; F411-L414 PolarHBondContact O-N 2.72Å; L414-A417 PolarHBondContact O-N 3.01Å; L414-Y418 WeakPolarHBondContact O-CB 3.09Å; L414-Y418 PolarHBondContact O-N 2.98Å; L414-K437 HydrophobicContact CD1-CB 3.88Å; L414-K437 HydrophobicContact CD2-CB 3.71Å; L414-K437 HydrophobicContact CD2-CD 3.89Å; L414-K437 HydrophobicContact CD2-CG 4.45Å; L414-K437 HydrophobicContact CG-CB 4.45Å; L414-L438 HydrophobicContact CB-CB 4.47Å; L414-L438 HydrophobicContact CB-CD1 4.05Å; L414-T441 WeakPolarHBondContact CD1-OG1 3.34Å |
| 415 | V | 89.6 | Confident | 84.3 | Confident | 24 Ų | 24 | 58 Ų | 58 | 15% | 0.145 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.2 | -41 | 174.3 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | F411 D412 Y418 N419 L438 L475 | F411-V415 HydrophobicContact CD1-CG2 3.96Å; F411-V415 HydrophobicContact CD2-CG2 4.44Å; F411-V415 HydrophobicContact CE1-CG2 3.55Å; F411-V415 HydrophobicContact CE2-CG2 4.09Å; F411-V415 HydrophobicContact CG-CG2 4.39Å; F411-V415 HydrophobicContact CZ-CG2 3.64Å; F411-V415 WeakPolarHBondContact O-CB 3.3Å; F411-V415 WeakPolarHBondContact O-CG2 3.49Å; F411-V415 PolarHBondContact O-N 3.07Å; D412-V415 PolarHBondContact O-N 2.75Å; V415-Y418 PolarHBondContact O-N 2.96Å; V415-N419 WeakPolarHBondContact O-CB 3.48Å; V415-N419 PolarHBondContact O-N 3.43Å; V415-N419 PolarHBondContact O-ND2 3.2Å; V415-N419 VanDerWaalsContact O-ND2 3.11Å; V415-L438 HydrophobicContact CG2-CD1 3.8Å; V415-L438 HydrophobicContact CG2-CD2 4.4Å; V415-L475 HydrophobicContact CG1-CD1 4.12Å; V415-L475 HydrophobicContact CG2-CD1 4.06Å; V415-L475 HydrophobicContact CG2-CD2 3.97Å; V415-L475 HydrophobicContact CG2-CG 4.48Å |
| 416 | G | 88.7 | Confident | 82.7 | Confident | 36 Ų | 36 | 56.4 Ų | 56.4 | 37% | 0.371 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.2 | -51 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D412 Q413 Y418 N419 M420 | D412-G416 PolarHBondContact O-N 2.92Å; Q413-G416 PolarHBondContact O-N 3.4Å; G416-Y418 VanDerWaalsContact C-N 3.35Å; G416-Y418 PolarHBondContact O-N 3.18Å; G416-N419 PolarHBondContact O-N 2.86Å; G416-M420 VanDerWaalsContact O-CG 3.28Å; G416-M420 WeakPolarHBondContact O-CG 3.5Å; G416-M420 PolarHBondContact O-N 2.82Å |
| 417 | A | 87.6 | Confident | 81.6 | Confident | 41 Ų | 41 | 61.7 Ų | 61.7 | 34% | 0.339 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q413 L414 M420 S421 V434 | Q413-A417 WeakPolarHBondContact O-CB 3.48Å; Q413-A417 PolarHBondContact O-N 3.06Å; L414-A417 PolarHBondContact O-N 3.01Å; A417-M420 PolarHBondContact O-N 3.24Å; A417-S421 PolarHBondContact O-N 3.1Å; A417-V434 HydrophobicContact CB-CG1 3.95Å; A417-V434 HydrophobicContact CB-CG2 4.34Å |
| 418 | Y | 86.1 | Confident | 80.6 | Confident | 8 Ų | 8 | 65 Ų | 65 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.1 | -48.8 | 178.4 | -174.9 | -111.9 | 0 | 0 | 0 | 110.6 | L414 V415 G416 M420 S421 F422 V434 E435 L438 T479 | L414-Y418 WeakPolarHBondContact O-CB 3.09Å; L414-Y418 PolarHBondContact O-N 2.98Å; V415-Y418 PolarHBondContact O-N 2.96Å; G416-Y418 VanDerWaalsContact C-N 3.35Å; G416-Y418 PolarHBondContact O-N 3.18Å; Y418-M420 VanDerWaalsContact C-N 3.33Å; Y418-M420 PolarHBondContact O-N 3.29Å; Y418-S421 PolarHBondContact O-N 2.78Å; Y418-S421 PolarHBondContact O-OG 2.76Å; Y418-F422 AromaticContact CD1-CE2 3.8Å; Y418-F422 HydrophobicContact CD1-CE2 3.8Å; Y418-F422 HydrophobicContact CD2-CE2 4.03Å; Y418-F422 AromaticContact CE1-CE2 3.46Å; Y418-F422 HydrophobicContact CE1-CE2 3.46Å; Y418-F422 VanDerWaalsContact CE1-CE2 3.46Å; Y418-F422 HydrophobicContact CE1-CZ 4.06Å; Y418-F422 AromaticContact CE2-CE2 3.71Å; Y418-F422 HydrophobicContact CE2-CE2 3.71Å; Y418-F422 AromaticContact CE2-CZ 3.92Å; Y418-F422 HydrophobicContact CE2-CZ 3.92Å; Y418-F422 HydrophobicContact CG-CE2 4.07Å; Y418-F422 AromaticContact CZ-CE2 3.42Å; Y418-F422 VanDerWaalsContact CZ-CE2 3.42Å; Y418-F422 AromaticContact CZ-CZ 3.6Å; Y418-F422 WeakPolarHBondContact O-CD2 3.47Å; Y418-V434 HydrophobicContact CD2-CG1 4.4Å; Y418-E435 HydrophobicContact CD2-CB 4.44Å; Y418-E435 HydrophobicContact CE2-CB 4.04Å; Y418-E435 HydrophobicContact CE2-CG 4.36Å; Y418-L438 HydrophobicContact CD1-CD2 4.17Å; Y418-L438 HydrophobicContact CD2-CD2 4.48Å; Y418-L438 HydrophobicContact CG-CD2 4.05Å; Y418-T479 HydrophobicContact CE1-CG2 4.27Å |
| 419 | N | 84.1 | Confident | 79.7 | Confident | 52 Ų | 52 | 66.8 Ų | 66.8 | 28% | 0.278 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63 | -36.7 | 176.6 | -74.2 | -43 | 0 | 0 | 0 | 112.8 | V415 G416 F422 R486 | V415-N419 WeakPolarHBondContact O-CB 3.48Å; V415-N419 PolarHBondContact O-N 3.43Å; V415-N419 PolarHBondContact O-ND2 3.2Å; V415-N419 VanDerWaalsContact O-ND2 3.11Å; G416-N419 PolarHBondContact O-N 2.86Å; N419-F422 PolarHBondContact O-N 3.28Å; N419-R486 PolarHBondContact OD1-NH2 3.03Å |
| 420 | M | 82.7 | Confident | 79.2 | Confident | 99 Ų | 99 | 67.5 Ų | 67.5 | 49% | 0.488 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67 | -33.9 | 175.1 | -73 | -69.4 | -72.1 | 0 | 0 | 112.9 | G416 A417 Y418 F422 T423 Q424 | G416-M420 VanDerWaalsContact O-CG 3.28Å; G416-M420 WeakPolarHBondContact O-CG 3.5Å; G416-M420 PolarHBondContact O-N 2.82Å; A417-M420 PolarHBondContact O-N 3.24Å; Y418-M420 VanDerWaalsContact C-N 3.33Å; Y418-M420 PolarHBondContact O-N 3.29Å; M420-F422 PolarHBondContact O-N 3.14Å; M420-T423 PolarHBondContact O-N 3.12Å; M420-T423 PolarHBondContact O-OG1 2.76Å; M420-Q424 PolarHBondContact O-N 2.88Å; M420-Q424 VanDerWaalsContact O-N 3.09Å |
| 421 | S | 77 | Confident | 78.7 | Confident | 13 Ų | 13 | 67.6 Ų | 67.6 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.2 | -15.1 | 177 | 77.4 | 0 | 0 | 0 | 0 | 113.9 | A417 Y418 S426 | A417-S421 PolarHBondContact O-N 3.1Å; Y418-S421 PolarHBondContact O-N 2.78Å; Y418-S421 PolarHBondContact O-OG 2.76Å; S421-S426 PolarHBondContact O-OG 3.35Å; S421-S426 VanDerWaalsContact O-OG 3.1Å |
| 422 | F | 68.3 | Low | 78.3 | Confident | 63 Ų | 63 | 68.8 Ų | 68.8 | 28% | 0.276 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -91.9 | -28.3 | 172.7 | -69.2 | -77.2 | 0 | 0 | 0 | 113.6 | Y418 N419 M420 R486 | Y418-F422 AromaticContact CD1-CE2 3.8Å; Y418-F422 HydrophobicContact CD1-CE2 3.8Å; Y418-F422 HydrophobicContact CD2-CE2 4.03Å; Y418-F422 AromaticContact CE1-CE2 3.46Å; Y418-F422 HydrophobicContact CE1-CE2 3.46Å; Y418-F422 VanDerWaalsContact CE1-CE2 3.46Å; Y418-F422 HydrophobicContact CE1-CZ 4.06Å; Y418-F422 AromaticContact CE2-CE2 3.71Å; Y418-F422 HydrophobicContact CE2-CE2 3.71Å; Y418-F422 AromaticContact CE2-CZ 3.92Å; Y418-F422 HydrophobicContact CE2-CZ 3.92Å; Y418-F422 HydrophobicContact CG-CE2 4.07Å; Y418-F422 AromaticContact CZ-CE2 3.42Å; Y418-F422 VanDerWaalsContact CZ-CE2 3.42Å; Y418-F422 AromaticContact CZ-CZ 3.6Å; Y418-F422 WeakPolarHBondContact O-CD2 3.47Å; N419-F422 PolarHBondContact O-N 3.28Å; M420-F422 PolarHBondContact O-N 3.14Å; F422-R486 HydrophobicContact CD1-CG 4.24Å; F422-R486 HydrophobicContact CE1-CB 4.27Å; F422-R486 HydrophobicContact CE1-CG 4.09Å; F422-R486 HydrophobicContact CZ-CG 4.43Å |
| 423 | T | 69.8 | Low | 78 | Confident | 109 Ų | 109 | 66.5 Ų | 66.5 | 67% | 0.669 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -79.4 | -35 | 178.5 | 52.9 | 0 | 0 | 0 | 0 | 111.6 | M420 | M420-T423 PolarHBondContact O-N 3.12Å; M420-T423 PolarHBondContact O-OG1 2.76Å |
| 424 | Q | 64.2 | Low | 77.8 | Confident | 117 Ų | 117 | 60.3 Ų | 60.3 | 55% | 0.547 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 137 | 169 | -59 | -179 | -2 | 0 | 0 | 107.4 | M420 S426 | M420-Q424 PolarHBondContact O-N 2.88Å; M420-Q424 VanDerWaalsContact O-N 3.09Å; Q424-S426 PolarHBondContact O-N 2.97Å |
| 425 | Q | 59.7 | Low | 77.7 | Confident | 209 Ų | 209 | 60.4 Ų | 60.4 | 98% | 0.977 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 60.2 | 167 | -70.7 | 179.2 | -14.3 | 0 | 0 | 109.3 | ||
| 426 | S | 56.1 | Low | 77.8 | Confident | 36 Ų | 36 | 59.2 Ų | 59.2 | 25% | 0.252 | 32% | 0.324 | S | S | . | . | trans | -66.5 | 151.6 | -176.6 | 66 | 0 | 0 | 0 | 0 | 110.8 | S421 Q424 S428 T431 | S421-S426 PolarHBondContact O-OG 3.35Å; S421-S426 VanDerWaalsContact O-OG 3.1Å; Q424-S426 PolarHBondContact O-N 2.97Å; S426-S428 PolarHBondContact O-N 2.86Å; S426-T431 PolarHBondContact OG-OG1 3.44Å; S426-T431 VanDerWaalsContact OG-OG1 3.09Å | ||
| 427 | E | 61.9 | Low | 78 | Confident | 161 Ų | 161 | 59.1 Ų | 59.1 | 75% | 0.752 | 31% | 0.313 | S | S | * | . | trans | -52.3 | 138.5 | 172.4 | -65.9 | 178.6 | 173.2 | 0 | 0 | 110.5 | V429 Q430 | E427-V429 PolarHBondContact O-N 2.67Å; E427-Q430 PolarHBondContact O-N 2.8Å; E427-Q430 VanDerWaalsContact O-N 3.15Å | ||
| 428 | S | 70.8 | Confident | 78.2 | Confident | 70 Ų | 70 | 57.2 Ų | 57.2 | 49% | 0.49 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -55.4 | -28.8 | -176.2 | 48.9 | 0 | 0 | 0 | 0 | 113.7 | S426 S432 | S426-S428 PolarHBondContact O-N 2.86Å; S428-S432 PolarHBondContact O-N 3.04Å |
| 429 | V | 73.9 | Confident | 78.5 | Confident | 41 Ų | 41 | 56.8 Ų | 56.8 | 25% | 0.248 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.5 | -45.9 | -179.2 | -177 | 0 | 0 | 0 | 0 | 111.3 | E427 T431 S432 I433 | E427-V429 PolarHBondContact O-N 2.67Å; V429-T431 VanDerWaalsContact C-N 3.34Å; V429-T431 PolarHBondContact O-N 2.77Å; V429-S432 WeakPolarHBondContact O-CB 3.49Å; V429-S432 PolarHBondContact O-N 2.85Å; V429-S432 VanDerWaalsContact O-N 3.11Å; V429-I433 HydrophobicContact CG1-CD1 4.05Å; V429-I433 WeakPolarHBondContact O-CG1 3.14Å; V429-I433 PolarHBondContact O-N 2.82Å |
| 430 | Q | 80.5 | Confident | 79 | Confident | 104 Ų | 104 | 54.6 Ų | 54.6 | 49% | 0.486 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66 | -38.5 | -177.2 | -168.6 | 63.5 | 16.5 | 0 | 0 | 111.9 | E427 S432 I433 V434 | E427-Q430 PolarHBondContact O-N 2.8Å; E427-Q430 VanDerWaalsContact O-N 3.15Å; Q430-S432 VanDerWaalsContact C-N 3.32Å; Q430-S432 PolarHBondContact O-N 3.03Å; Q430-I433 PolarHBondContact O-N 3.3Å; Q430-V434 WeakPolarHBondContact O-CG2 3.49Å; Q430-V434 PolarHBondContact O-N 2.64Å; Q430-V434 VanDerWaalsContact O-N 3.12Å |
| 431 | T | 81.4 | Confident | 79.5 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 8% | 0.08 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 173 | -51.2 | 0 | 0 | 0 | 0 | 111.1 | S426 V429 I433 V434 E435 | S426-T431 PolarHBondContact OG-OG1 3.44Å; S426-T431 VanDerWaalsContact OG-OG1 3.09Å; V429-T431 VanDerWaalsContact C-N 3.34Å; V429-T431 PolarHBondContact O-N 2.77Å; T431-I433 PolarHBondContact O-N 3.43Å; T431-V434 PolarHBondContact O-N 3.11Å; T431-E435 WeakPolarHBondContact O-CB 3.32Å; T431-E435 PolarHBondContact O-N 3.33Å |
| 432 | S | 84 | Confident | 80.3 | Confident | 28 Ų | 28 | 49.3 Ų | 49.3 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 178.8 | -171.1 | 0 | 0 | 0 | 0 | 113 | S428 V429 Q430 S436 | S428-S432 PolarHBondContact O-N 3.04Å; V429-S432 WeakPolarHBondContact O-CB 3.49Å; V429-S432 PolarHBondContact O-N 2.85Å; V429-S432 VanDerWaalsContact O-N 3.11Å; Q430-S432 VanDerWaalsContact C-N 3.32Å; Q430-S432 PolarHBondContact O-N 3.03Å; S432-S436 WeakPolarHBondContact O-CB 3.48Å; S432-S436 PolarHBondContact O-N 2.98Å; S432-S436 PolarHBondContact O-OG 3.23Å |
| 433 | I | 87.7 | Confident | 81.6 | Confident | 8 Ų | 8 | 46.4 Ų | 46.4 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.8 | -50.9 | 177 | -68.8 | 169.7 | 0 | 0 | 0 | 110.1 | V368 D369 Q372 V429 Q430 T431 E435 S436 K437 | V368-I433 HydrophobicContact CG1-CG2 4.14Å; V368-I433 WeakPolarHBondContact CG1-O 3.31Å; D369-I433 WeakPolarHBondContact OD1-CG2 3.29Å; Q372-I433 HydrophobicContact CB-CD1 4.34Å; Q372-I433 HydrophobicContact CB-CG1 4.45Å; Q372-I433 HydrophobicContact CG-CD1 4.04Å; V429-I433 HydrophobicContact CG1-CD1 4.05Å; V429-I433 WeakPolarHBondContact O-CG1 3.14Å; V429-I433 PolarHBondContact O-N 2.82Å; Q430-I433 PolarHBondContact O-N 3.3Å; T431-I433 PolarHBondContact O-N 3.43Å; I433-E435 VanDerWaalsContact C-N 3.29Å; I433-E435 PolarHBondContact O-N 3.47Å; I433-S436 PolarHBondContact O-N 3.22Å; I433-K437 HydrophobicContact CG2-CD 4.48Å; I433-K437 WeakPolarHBondContact O-CG 3.33Å; I433-K437 PolarHBondContact O-N 3.41Å |
| 434 | V | 88.9 | Confident | 82.7 | Confident | 12 Ų | 12 | 41.2 Ų | 41.2 | 7% | 0.073 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.1 | -40.3 | 179.3 | 175.1 | 0 | 0 | 0 | 0 | 111 | A417 Y418 Q430 T431 K437 L438 | A417-V434 HydrophobicContact CB-CG1 3.95Å; A417-V434 HydrophobicContact CB-CG2 4.34Å; Y418-V434 HydrophobicContact CD2-CG1 4.4Å; Q430-V434 WeakPolarHBondContact O-CG2 3.49Å; Q430-V434 PolarHBondContact O-N 2.64Å; Q430-V434 VanDerWaalsContact O-N 3.12Å; T431-V434 PolarHBondContact O-N 3.11Å; V434-K437 PolarHBondContact O-N 2.89Å; V434-L438 WeakPolarHBondContact O-CB 3.5Å; V434-L438 PolarHBondContact O-N 3Å |
| 435 | E | 89.1 | Confident | 84.1 | Confident | 24 Ų | 24 | 35.7 Ų | 35.7 | 11% | 0.112 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.3 | -48.1 | 174.7 | 177.7 | 161.9 | -137.8 | 0 | 0 | 112.6 | Y418 T431 I433 K437 L438 V439 S489 I491 | Y418-E435 HydrophobicContact CD2-CB 4.44Å; Y418-E435 HydrophobicContact CE2-CB 4.04Å; Y418-E435 HydrophobicContact CE2-CG 4.36Å; T431-E435 WeakPolarHBondContact O-CB 3.32Å; T431-E435 PolarHBondContact O-N 3.33Å; I433-E435 VanDerWaalsContact C-N 3.29Å; I433-E435 PolarHBondContact O-N 3.47Å; E435-K437 VanDerWaalsContact C-N 3.31Å; E435-K437 PolarHBondContact O-N 2.86Å; E435-L438 WeakPolarHBondContact O-CB 3.31Å; E435-L438 PolarHBondContact O-N 2.84Å; E435-L438 VanDerWaalsContact O-N 3.13Å; E435-V439 VanDerWaalsContact O-CG2 3.32Å; E435-V439 WeakPolarHBondContact O-CG2 3.25Å; E435-V439 PolarHBondContact O-N 3.07Å; E435-S489 VanDerWaalsContact CD-OG 3.23Å; E435-S489 WeakPolarHBondContact OE1-CB 3.45Å; E435-S489 PolarHBondContact OE1-OG 3.03Å; E435-I491 HydrophobicContact CG-CD1 4.34Å |
| 436 | S | 90.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.7 | -38.3 | 179.3 | -61 | 0 | 0 | 0 | 0 | 112 | S432 I433 V439 W440 | S432-S436 WeakPolarHBondContact O-CB 3.48Å; S432-S436 PolarHBondContact O-N 2.98Å; S432-S436 PolarHBondContact O-OG 3.23Å; I433-S436 PolarHBondContact O-N 3.22Å; S436-V439 PolarHBondContact O-N 3.31Å; S436-W440 PolarHBondContact O-N 2.87Å |
| 437 | K | 93.2 | Very high | 87.3 | Confident | 34 Ų | 34 | 24.1 Ų | 24.1 | 15% | 0.148 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.7 | -43.9 | 172.2 | -77.5 | -179.9 | 165.5 | 179.1 | 0 | 112.5 | L365 V368 D369 L414 I433 V434 E435 V439 W440 T441 | L365-K437 HydrophobicContact CD2-CB 3.86Å; L365-K437 HydrophobicContact CD2-CG 4.02Å; L365-K437 WeakPolarHBondContact O-CE 3.45Å; V368-K437 HydrophobicContact CB-CG 3.87Å; V368-K437 HydrophobicContact CG1-CG 3.83Å; V368-K437 HydrophobicContact CG2-CG 4.28Å; D369-K437 VanDerWaalsContact CG-CE 3.46Å; D369-K437 WeakPolarHBondContact OD1-CE 3.37Å; D369-K437 IonicContact OD1-NZ 3.38Å; D369-K437 PolarHBondContact OD1-NZ 3.47Å; D369-K437 VanDerWaalsContact OD2-CE 3.29Å; D369-K437 WeakPolarHBondContact OD2-CE 3.45Å; D369-K437 IonicContact OD2-NZ 3.02Å; D369-K437 PolarHBondContact OD2-NZ 2.81Å; L414-K437 HydrophobicContact CD1-CB 3.88Å; L414-K437 HydrophobicContact CD2-CB 3.71Å; L414-K437 HydrophobicContact CD2-CD 3.89Å; L414-K437 HydrophobicContact CD2-CG 4.45Å; L414-K437 HydrophobicContact CG-CB 4.45Å; I433-K437 HydrophobicContact CG2-CD 4.48Å; I433-K437 WeakPolarHBondContact O-CG 3.33Å; I433-K437 PolarHBondContact O-N 3.41Å; V434-K437 PolarHBondContact O-N 2.89Å; E435-K437 VanDerWaalsContact C-N 3.31Å; E435-K437 PolarHBondContact O-N 2.86Å; K437-V439 VanDerWaalsContact C-N 3.34Å; K437-W440 PolarHBondContact O-N 3.4Å; K437-T441 PolarHBondContact O-N 3.45Å; K437-T441 PolarHBondContact O-OG1 2.98Å |
| 438 | L | 92.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66 | -39.2 | 179 | -174.6 | 60 | 0 | 0 | 0 | 111.3 | F411 L414 V415 Y418 V434 E435 T441 L442 L475 M492 | F411-L438 HydrophobicContact CD2-CD1 3.82Å; F411-L438 HydrophobicContact CE2-CD1 3.75Å; L414-L438 HydrophobicContact CB-CB 4.47Å; L414-L438 HydrophobicContact CB-CD1 4.05Å; V415-L438 HydrophobicContact CG2-CD1 3.8Å; V415-L438 HydrophobicContact CG2-CD2 4.4Å; Y418-L438 HydrophobicContact CD1-CD2 4.17Å; Y418-L438 HydrophobicContact CD2-CD2 4.48Å; Y418-L438 HydrophobicContact CG-CD2 4.05Å; V434-L438 WeakPolarHBondContact O-CB 3.5Å; V434-L438 PolarHBondContact O-N 3Å; E435-L438 WeakPolarHBondContact O-CB 3.31Å; E435-L438 PolarHBondContact O-N 2.84Å; E435-L438 VanDerWaalsContact O-N 3.13Å; L438-T441 PolarHBondContact O-N 3.45Å; L438-L442 WeakPolarHBondContact O-CG 3.22Å; L438-L442 PolarHBondContact O-N 3.02Å; L438-L475 HydrophobicContact CD1-CD2 4.32Å; L438-L475 HydrophobicContact CD2-CD2 4.03Å; L438-L475 HydrophobicContact CG-CD2 4.41Å; L438-M492 HydrophobicContact CD2-CE 3.43Å; L438-M492 VanDerWaalsContact CD2-CE 3.43Å; L438-M492 HydrophobicContact CD2-SD 4.3Å; L438-M492 HydrophobicContact CG-CE 3.77Å; L438-M492 HydrophobicContact CG-SD 4.39Å |
| 439 | V | 92.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -58.9 | -50.1 | 172.9 | 167.2 | 0 | 0 | 0 | 0 | 111.3 | L379 E435 S436 K437 T441 L442 Y443 I491 M492 A495 | L379-V439 HydrophobicContact CD1-CB 4.09Å; L379-V439 HydrophobicContact CD1-CG1 3.74Å; L379-V439 HydrophobicContact CD2-CG1 3.73Å; L379-V439 HydrophobicContact CG-CG1 4.24Å; E435-V439 VanDerWaalsContact O-CG2 3.32Å; E435-V439 WeakPolarHBondContact O-CG2 3.25Å; E435-V439 PolarHBondContact O-N 3.07Å; S436-V439 PolarHBondContact O-N 3.31Å; K437-V439 VanDerWaalsContact C-N 3.34Å; V439-T441 VanDerWaalsContact C-N 3.25Å; V439-T441 PolarHBondContact O-N 3.48Å; V439-L442 WeakPolarHBondContact O-CB 3.24Å; V439-L442 PolarHBondContact O-N 3.42Å; V439-L442 VanDerWaalsContact O-N 3.16Å; V439-Y443 HydrophobicContact CG1-CD2 3.71Å; V439-Y443 HydrophobicContact CG1-CE2 3.43Å; V439-Y443 VanDerWaalsContact CG1-CE2 3.43Å; V439-Y443 WeakPolarHBondContact O-CD2 3.31Å; V439-Y443 PolarHBondContact O-N 3.32Å; V439-I491 HydrophobicContact CG2-CB 4.32Å; V439-I491 HydrophobicContact CG2-CD1 4.2Å; V439-I491 HydrophobicContact CG2-CG1 4.09Å; V439-M492 HydrophobicContact CG2-CB 4.31Å; V439-M492 HydrophobicContact CG2-SD 3.69Å; V439-A495 HydrophobicContact CG1-CB 4Å; V439-A495 HydrophobicContact CG2-CB 4.42Å |
| 440 | W | 93.6 | Very high | 90.1 | Very high | 6 Ų | 6 | 12.2 Ų | 12.2 | 2% | 0.023 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -55.4 | -42.9 | 173.8 | -91.5 | 112 | 0 | 0 | 0 | 112 | R364 L379 L385 M389 S436 K437 L442 Y443 M444 | R364-W440 HydrophobicContact CB-CD2 4.11Å; R364-W440 HydrophobicContact CB-CE3 4.23Å; R364-W440 HydrophobicContact CB-CG 4.38Å; R364-W440 HydrophobicContact CG-CD2 4.39Å; R364-W440 HydrophobicContact CG-CE3 4.11Å; R364-W440 HydrophobicContact CG-CH2 4.46Å; R364-W440 HydrophobicContact CG-CZ3 4.15Å; L379-W440 HydrophobicContact CD2-CD2 3.93Å; L379-W440 HydrophobicContact CD2-CG 4Å; L379-W440 HydrophobicContact CD2-CZ2 4.12Å; L385-W440 HydrophobicContact CD1-CE3 4.22Å; L385-W440 HydrophobicContact CD1-CH2 3.63Å; L385-W440 HydrophobicContact CD1-CZ2 4.42Å; L385-W440 HydrophobicContact CD1-CZ3 3.52Å; M389-W440 HydrophobicContact CE-CE3 4.46Å; M389-W440 HydrophobicContact CE-CZ3 3.82Å; S436-W440 PolarHBondContact O-N 2.87Å; K437-W440 PolarHBondContact O-N 3.4Å; W440-L442 PolarHBondContact O-N 3.35Å; W440-Y443 PolarHBondContact O-N 3.19Å; W440-M444 HydrophobicContact CB-CE 4.13Å; W440-M444 WeakPolarHBondContact O-CE 2.86Å; W440-M444 WeakPolarHBondContact O-CG 3.47Å; W440-M444 PolarHBondContact O-N 3.18Å |
| 441 | T | 94 | Very high | 90.1 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -67 | -36.5 | 179.7 | -53.5 | 0 | 0 | 0 | 0 | 112 | F411 L414 K437 L438 V439 M444 I445 | F411-T441 HydrophobicContact CB-CG2 3.89Å; F411-T441 HydrophobicContact CD2-CG2 3.98Å; F411-T441 HydrophobicContact CG-CG2 4.46Å; L414-T441 WeakPolarHBondContact CD1-OG1 3.34Å; K437-T441 PolarHBondContact O-N 3.45Å; K437-T441 PolarHBondContact O-OG1 2.98Å; L438-T441 PolarHBondContact O-N 3.45Å; V439-T441 VanDerWaalsContact C-N 3.25Å; V439-T441 PolarHBondContact O-N 3.48Å; T441-M444 PolarHBondContact O-N 3.26Å; T441-I445 HydrophobicContact CG2-CD1 3.97Å; T441-I445 HydrophobicContact CG2-CG1 4.37Å; T441-I445 WeakPolarHBondContact O-CB 3.34Å; T441-I445 VanDerWaalsContact O-CG1 3.24Å; T441-I445 WeakPolarHBondContact O-CG1 3.34Å; T441-I445 PolarHBondContact O-N 3.42Å |
| 442 | L | 94.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 173.3 | -74 | 170.5 | 0 | 0 | 0 | 112.2 | F411 L438 V439 W440 I445 G446 V472 M492 A495 Y496 | F411-L442 HydrophobicContact CE2-CD2 3.82Å; F411-L442 HydrophobicContact CE2-CG 4.42Å; L438-L442 WeakPolarHBondContact O-CG 3.22Å; L438-L442 PolarHBondContact O-N 3.02Å; V439-L442 WeakPolarHBondContact O-CB 3.24Å; V439-L442 PolarHBondContact O-N 3.42Å; V439-L442 VanDerWaalsContact O-N 3.16Å; W440-L442 PolarHBondContact O-N 3.35Å; L442-I445 PolarHBondContact O-N 3.44Å; L442-G446 PolarHBondContact O-N 2.86Å; L442-V472 HydrophobicContact CD2-CB 4.29Å; L442-V472 HydrophobicContact CD2-CG1 3.53Å; L442-V472 HydrophobicContact CD2-CG2 3.82Å; L442-M492 HydrophobicContact CD1-CE 3.51Å; L442-M492 HydrophobicContact CD1-SD 3.85Å; L442-A495 HydrophobicContact CB-CB 3.92Å; L442-A495 HydrophobicContact CD1-CB 3.88Å; L442-Y496 HydrophobicContact CD1-CD1 3.78Å; L442-Y496 HydrophobicContact CD1-CE1 3.66Å; L442-Y496 HydrophobicContact CD2-CD1 4.41Å; L442-Y496 HydrophobicContact CD2-CE1 4.38Å |
| 443 | Y | 94.1 | Very high | 89.2 | Confident | 3 Ų | 3 | 10.8 Ų | 10.8 | 1% | 0.012 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62.8 | -44.1 | 172.8 | -74.4 | -65.3 | 0 | 0 | 0 | 111.4 | L379 L385 V439 W440 I445 G446 S447 A495 W498 | L379-Y443 HydrophobicContact CD2-CD2 4.44Å; L379-Y443 HydrophobicContact CD2-CE2 4.42Å; L385-Y443 HydrophobicContact CD1-CD2 4.39Å; L385-Y443 HydrophobicContact CD1-CG 4.41Å; L385-Y443 HydrophobicContact CD2-CD1 3.86Å; L385-Y443 HydrophobicContact CD2-CD2 3.72Å; L385-Y443 HydrophobicContact CD2-CE1 3.59Å; L385-Y443 HydrophobicContact CD2-CE2 3.43Å; L385-Y443 VanDerWaalsContact CD2-CE2 3.43Å; L385-Y443 HydrophobicContact CD2-CG 3.94Å; L385-Y443 HydrophobicContact CG-CD1 4.43Å; L385-Y443 HydrophobicContact CG-CG 4.46Å; V439-Y443 HydrophobicContact CG1-CD2 3.71Å; V439-Y443 HydrophobicContact CG1-CE2 3.43Å; V439-Y443 VanDerWaalsContact CG1-CE2 3.43Å; V439-Y443 WeakPolarHBondContact O-CD2 3.31Å; V439-Y443 PolarHBondContact O-N 3.32Å; W440-Y443 PolarHBondContact O-N 3.19Å; Y443-I445 VanDerWaalsContact C-N 3.35Å; Y443-I445 PolarHBondContact O-N 3.28Å; Y443-G446 PolarHBondContact O-N 2.83Å; Y443-S447 PolarHBondContact O-N 3.44Å; Y443-S447 VanDerWaalsContact O-N 3.09Å; Y443-A495 HydrophobicContact CD2-CB 4.21Å; Y443-A495 HydrophobicContact CE2-CB 3.8Å; Y443-W498 VanDerWaalsContact CA-CZ3 3.42Å; Y443-W498 HydrophobicContact CD1-CB 4.11Å; Y443-W498 AromaticContact CD1-CD2 3.51Å; Y443-W498 HydrophobicContact CD1-CD2 3.51Å; Y443-W498 AromaticContact CD1-CE3 3.58Å; Y443-W498 HydrophobicContact CD1-CE3 3.58Å; Y443-W498 AromaticContact CD1-CG 3.72Å; Y443-W498 HydrophobicContact CD1-CG 3.72Å; Y443-W498 HydrophobicContact CD1-CZ3 4.11Å; Y443-W498 HydrophobicContact CE1-CB 3.57Å; Y443-W498 AromaticContact CE1-CD1 3.98Å; Y443-W498 AromaticContact CE1-CD2 3.86Å; Y443-W498 HydrophobicContact CE1-CD2 3.86Å; Y443-W498 HydrophobicContact CE1-CE3 4.25Å; Y443-W498 AromaticContact CE1-CG 3.52Å; Y443-W498 HydrophobicContact CE1-CG 3.52Å; Y443-W498 HydrophobicContact CG-CE3 4.46Å; Y443-W498 WeakPolarHBondContact O-CH2 3.43Å; Y443-W498 WeakPolarHBondContact O-CZ3 3.24Å |
| 444 | M | 93.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.9 | -39.2 | 176.7 | -69.5 | -177.8 | -71.3 | 0 | 0 | 112.4 | F360 I361 L365 M389 F392 L407 W440 T441 S447 A448 | F360-M444 HydrophobicContact CD1-SD 4.45Å; F360-M444 HydrophobicContact CE1-SD 4.44Å; I361-M444 HydrophobicContact CB-SD 4.04Å; I361-M444 HydrophobicContact CG1-SD 3.6Å; I361-M444 HydrophobicContact CG2-CE 4.02Å; I361-M444 HydrophobicContact CG2-SD 4.16Å; L365-M444 HydrophobicContact CD2-CE 4.46Å; M389-M444 HydrophobicContact SD-CG 4.21Å; F392-M444 HydrophobicContact CD1-CG 4.45Å; F392-M444 HydrophobicContact CE1-CB 3.78Å; F392-M444 HydrophobicContact CE1-CG 4.03Å; F392-M444 HydrophobicContact CZ-CB 4.12Å; F392-M444 HydrophobicContact CZ-CG 4.18Å; F392-M444 HydrophobicContact CZ-SD 4.44Å; L407-M444 HydrophobicContact CD2-CB 3.98Å; W440-M444 HydrophobicContact CB-CE 4.13Å; W440-M444 WeakPolarHBondContact O-CE 2.86Å; W440-M444 WeakPolarHBondContact O-CG 3.47Å; W440-M444 PolarHBondContact O-N 3.18Å; T441-M444 PolarHBondContact O-N 3.26Å; M444-S447 PolarHBondContact O-N 3.36Å; M444-A448 VanDerWaalsContact O-CB 3.32Å; M444-A448 WeakPolarHBondContact O-CB 3.37Å; M444-A448 PolarHBondContact O-N 2.65Å |
| 445 | I | 94 | Very high | 86.3 | Confident | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.4 | -48.1 | 177.5 | -72.2 | 169.1 | 0 | 0 | 0 | 111.7 | F411 T441 L442 Y443 S447 A448 I449 M468 V472 F499 | F411-I445 HydrophobicContact CB-CD1 4.15Å; F411-I445 HydrophobicContact CD2-CD1 3.6Å; F411-I445 HydrophobicContact CE2-CD1 4.21Å; F411-I445 HydrophobicContact CG-CD1 3.97Å; T441-I445 HydrophobicContact CG2-CD1 3.97Å; T441-I445 HydrophobicContact CG2-CG1 4.37Å; T441-I445 WeakPolarHBondContact O-CB 3.34Å; T441-I445 VanDerWaalsContact O-CG1 3.24Å; T441-I445 WeakPolarHBondContact O-CG1 3.34Å; T441-I445 PolarHBondContact O-N 3.42Å; L442-I445 PolarHBondContact O-N 3.44Å; Y443-I445 VanDerWaalsContact C-N 3.35Å; Y443-I445 PolarHBondContact O-N 3.28Å; I445-S447 PolarHBondContact O-N 3.4Å; I445-A448 WeakPolarHBondContact O-CB 3.46Å; I445-A448 PolarHBondContact O-N 2.94Å; I445-I449 HydrophobicContact CG2-CD1 3.82Å; I445-I449 WeakPolarHBondContact O-CD1 3.44Å; I445-I449 WeakPolarHBondContact O-CG1 3.46Å; I445-I449 PolarHBondContact O-N 3.27Å; I445-M468 HydrophobicContact CG1-SD 4.3Å; I445-M468 HydrophobicContact CG2-CB 4Å; I445-M468 HydrophobicContact CG2-SD 4.39Å; I445-V472 HydrophobicContact CD1-CG2 4Å; I445-V472 HydrophobicContact CG2-CG2 4.04Å; I445-F499 HydrophobicContact CG2-CD2 4.05Å; I445-F499 HydrophobicContact CG2-CE2 3.83Å |
| 446 | G | 91.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65 | -27.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L442 Y443 I449 S450 W498 Q502 | L442-G446 PolarHBondContact O-N 2.86Å; Y443-G446 PolarHBondContact O-N 2.83Å; G446-I449 PolarHBondContact O-N 3.05Å; G446-S450 WeakPolarHBondContact O-CB 3.49Å; G446-S450 PolarHBondContact O-N 2.91Å; G446-S450 PolarHBondContact O-OG 3.45Å; G446-W498 VanDerWaalsContact C-CZ3 3.42Å; G446-Q502 VanDerWaalsContact O-CB 3.24Å; G446-Q502 WeakPolarHBondContact O-CB 3.24Å; G446-Q502 WeakPolarHBondContact O-CG 3.29Å |
| 447 | S | 91.2 | Very high | 82.9 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.007 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -74.3 | -45.9 | 176.2 | -89.9 | 0 | 0 | 0 | 0 | 110.7 | M389 S393 Y443 M444 I445 I449 S450 G451 W498 | M389-S447 WeakPolarHBondContact CA-OG 2.97Å; M389-S447 WeakPolarHBondContact CB-OG 3.4Å; M389-S447 WeakPolarHBondContact O-CB 3.03Å; M389-S447 PolarHBondContact O-OG 3.31Å; S393-S447 WeakPolarHBondContact CA-O 3.43Å; S393-S447 WeakPolarHBondContact CB-O 3.35Å; Y443-S447 PolarHBondContact O-N 3.44Å; Y443-S447 VanDerWaalsContact O-N 3.09Å; M444-S447 PolarHBondContact O-N 3.36Å; I445-S447 PolarHBondContact O-N 3.4Å; S447-I449 PolarHBondContact O-N 3Å; S447-S450 WeakPolarHBondContact CA-OG 3.37Å; S447-S450 PolarHBondContact O-N 3.47Å; S447-S450 VanDerWaalsContact O-N 3.13Å; S447-S450 PolarHBondContact O-OG 2.83Å; S447-G451 PolarHBondContact O-N 3.24Å; S447-W498 VanDerWaalsContact OG-CH2 3.25Å; S447-W498 WeakPolarHBondContact OG-CH2 3.46Å |
| 448 | A | 90.1 | Very high | 81.4 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -52.1 | -45.2 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | R397 Y400 L407 M444 I445 | R397-A448 PolarHBondContact NE-O 3.06Å; R397-A448 PolarHBondContact NH2-O 2.74Å; Y400-A448 HydrophobicContact CE2-CB 3.99Å; L407-A448 HydrophobicContact CD1-CB 4.15Å; M444-A448 VanDerWaalsContact O-CB 3.32Å; M444-A448 WeakPolarHBondContact O-CB 3.37Å; M444-A448 PolarHBondContact O-N 2.65Å; I445-A448 WeakPolarHBondContact O-CB 3.46Å; I445-A448 PolarHBondContact O-N 2.94Å |
| 449 | I | 88.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.7 | -50.6 | 175.1 | -69.2 | 160.8 | 0 | 0 | 0 | 111.7 | R397 I445 G446 S447 G451 R452 I469 F499 T506 Y507 | R397-I449 PolarHBondContact NH2-O 3.13Å; R397-I449 VanDerWaalsContact NH2-O 3.12Å; I445-I449 HydrophobicContact CG2-CD1 3.82Å; I445-I449 WeakPolarHBondContact O-CD1 3.44Å; I445-I449 WeakPolarHBondContact O-CG1 3.46Å; I445-I449 PolarHBondContact O-N 3.27Å; G446-I449 PolarHBondContact O-N 3.05Å; S447-I449 PolarHBondContact O-N 3Å; I449-G451 VanDerWaalsContact C-N 3.26Å; I449-G451 PolarHBondContact O-N 3.09Å; I449-R452 WeakPolarHBondContact O-CB 3.38Å; I449-R452 PolarHBondContact O-N 3Å; I449-I469 HydrophobicContact CD1-CD1 4.14Å; I449-I469 HydrophobicContact CD1-CG1 3.49Å; I449-I469 VanDerWaalsContact CD1-CG1 3.49Å; I449-I469 HydrophobicContact CG1-CG1 4.31Å; I449-F499 HydrophobicContact CD1-CD2 4.19Å; I449-F499 HydrophobicContact CD1-CE2 3.45Å; I449-F499 VanDerWaalsContact CD1-CE2 3.45Å; I449-F499 HydrophobicContact CD1-CZ 4.25Å; I449-T506 HydrophobicContact CG2-CG2 4.24Å; I449-Y507 HydrophobicContact CG2-CD2 4.04Å; I449-Y507 HydrophobicContact CG2-CE2 3.9Å |
| 450 | S | 86.4 | Confident | 78.7 | Confident | 23 Ų | 23 | 33.4 Ų | 33.4 | 16% | 0.161 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.1 | -26.4 | -177 | 67.5 | 0 | 0 | 0 | 0 | 114.4 | G446 S447 R452 | G446-S450 WeakPolarHBondContact O-CB 3.49Å; G446-S450 PolarHBondContact O-N 2.91Å; G446-S450 PolarHBondContact O-OG 3.45Å; S447-S450 WeakPolarHBondContact CA-OG 3.37Å; S447-S450 PolarHBondContact O-N 3.47Å; S447-S450 VanDerWaalsContact O-N 3.13Å; S447-S450 PolarHBondContact O-OG 2.83Å; S450-R452 PolarHBondContact O-N 3.43Å |
| 451 | G | 80 | Confident | 78.1 | Confident | 17 Ų | 17 | 34.3 Ų | 34.3 | 18% | 0.175 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 1.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S447 I449 S453 | S447-G451 PolarHBondContact O-N 3.24Å; I449-G451 VanDerWaalsContact C-N 3.26Å; I449-G451 PolarHBondContact O-N 3.09Å; G451-S453 PolarHBondContact O-N 3.25Å |
| 452 | R | 77.1 | Confident | 77.6 | Confident | 34 Ų | 34 | 35.2 Ų | 35.2 | 13% | 0.128 | 23% | 0.228 | C | C | . | . | trans | -63.1 | 100.1 | 176.9 | -173.5 | 178.2 | -176.5 | -104.1 | 6.8 | 111.3 | I449 S450 D462 T506 Y507 | I449-R452 WeakPolarHBondContact O-CB 3.38Å; I449-R452 PolarHBondContact O-N 3Å; S450-R452 PolarHBondContact O-N 3.43Å; R452-D462 IonicContact CZ-OD1 2.71Å; R452-D462 IonicContact CZ-OD2 2.68Å; R452-D462 IonicContact NE-OD1 3.49Å; R452-D462 PolarHBondContact NE-OD1 3.49Å; R452-D462 IonicContact NE-OD2 3.33Å; R452-D462 IonicContact NH2-OD1 2.71Å; R452-D462 PolarHBondContact NH2-OD1 2.71Å; R452-D462 IonicContact NH2-OD2 3.73Å; R452-D462 PolarHBondContact NH2-OD2 3.43Å; R452-T506 HydrophobicContact CB-CG2 3.82Å; R452-T506 HydrophobicContact CG-CG2 4.41Å; R452-Y507 WeakPolarHBondContact CD-OH 3.44Å | ||
| 453 | S | 68.6 | Low | 77.1 | Confident | 64 Ų | 64 | 38.1 Ų | 38.1 | 45% | 0.448 | 25% | 0.248 | S | C | . | . | trans | -86 | 140.2 | 170.4 | 179 | 0 | 0 | 0 | 0 | 111.8 | G451 S455 V456 A457 | G451-S453 PolarHBondContact O-N 3.25Å; S453-S455 PolarHBondContact O-N 3.28Å; S453-S455 PolarHBondContact OG-N 3.02Å; S453-V456 PolarHBondContact O-N 2.83Å; S453-V456 VanDerWaalsContact O-N 3.15Å; S453-A457 PolarHBondContact O-N 2.9Å | ||
| 454 | H | 61.4 | Low | 76.7 | Confident | 164 Ų | 164 | 40.1 Ų | 40.1 | 76% | 0.759 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -24.7 | 172.2 | -73.8 | -64.9 | 0 | 0 | 0 | 113.1 | ||
| 455 | S | 54.6 | Low | 76.5 | Confident | 73 Ų | 73 | 40.1 Ų | 40.1 | 51% | 0.51 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -21.4 | -178.5 | -175.2 | 0 | 0 | 0 | 0 | 114.6 | S453 | S453-S455 PolarHBondContact O-N 3.28Å; S453-S455 PolarHBondContact OG-N 3.02Å |
| 456 | V | 54.6 | Low | 76.2 | Confident | 63 Ų | 63 | 40 Ų | 40 | 38% | 0.382 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -123.3 | 12.3 | -170.3 | -167.1 | 0 | 0 | 0 | 0 | 111.6 | A338 S453 S458 | A338-V456 HydrophobicContact CB-CG2 4.19Å; S453-V456 PolarHBondContact O-N 2.83Å; S453-V456 VanDerWaalsContact O-N 3.15Å; V456-S458 PolarHBondContact O-N 2.87Å; V456-S458 VanDerWaalsContact O-N 3.11Å |
| 457 | A | 54.5 | Low | 76.1 | Confident | 48 Ų | 48 | 42.6 Ų | 42.6 | 40% | 0.397 | 27% | 0.269 | S | S | . | . | trans | -65.5 | 113.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | S453 | S453-A457 PolarHBondContact O-N 2.9Š| ||
| 458 | S | 62.1 | Low | 76.2 | Confident | 54 Ų | 54 | 42.6 Ų | 42.6 | 38% | 0.378 | 27% | 0.269 | S | S | . | . | trans | -116.6 | 143.3 | 167.1 | 73 | 0 | 0 | 0 | 0 | 108.7 | V456 G460 N461 D462 | V456-S458 PolarHBondContact O-N 2.87Å; V456-S458 VanDerWaalsContact O-N 3.11Å; S458-G460 PolarHBondContact O-N 3.46Å; S458-G460 VanDerWaalsContact O-N 3.14Å; S458-N461 PolarHBondContact O-N 3.17Å; S458-N461 VanDerWaalsContact OG-CG 3.23Å; S458-N461 PolarHBondContact OG-N 2.91Å; S458-N461 PolarHBondContact OG-ND2 2.69Å; S458-D462 PolarHBondContact O-N 3.37Å | ||
| 459 | S | 59.2 | Low | 76.3 | Confident | 106 Ų | 106 | 42.6 Ų | 42.6 | 74% | 0.741 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -57.1 | -28.3 | 179 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | S463 | S459-S463 PolarHBondContact O-N 3.17Å |
| 460 | G | 68.6 | Low | 76.4 | Confident | 44 Ų | 44 | 42.7 Ų | 42.7 | 45% | 0.454 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.4 | -36.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S458 K464 | S458-G460 PolarHBondContact O-N 3.46Å; S458-G460 VanDerWaalsContact O-N 3.14Å; G460-K464 PolarHBondContact O-N 2.86Å |
| 461 | N | 80.8 | Confident | 76.7 | Confident | 26 Ų | 26 | 45.2 Ų | 45.2 | 14% | 0.139 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71 | -40.8 | 178.5 | -69.5 | -14.5 | 0 | 0 | 0 | 111.5 | Y400 S458 S463 K464 D465 | Y400-N461 HydrophobicContact CD1-CB 3.78Å; Y400-N461 HydrophobicContact CE1-CB 4.34Å; S458-N461 PolarHBondContact O-N 3.17Å; S458-N461 VanDerWaalsContact OG-CG 3.23Å; S458-N461 PolarHBondContact OG-N 2.91Å; S458-N461 PolarHBondContact OG-ND2 2.69Å; N461-S463 VanDerWaalsContact C-N 3.29Å; N461-S463 PolarHBondContact O-N 3.45Å; N461-K464 PolarHBondContact O-N 2.86Å; N461-K464 VanDerWaalsContact O-N 3.16Å; N461-D465 PolarHBondContact O-N 2.93Å |
| 462 | D | 82.6 | Confident | 77.3 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 10% | 0.096 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.1 | -35.3 | 178.2 | -78.9 | -23.9 | 0 | 0 | 0 | 111.6 | R452 S458 D465 G466 Y507 V518 | R452-D462 IonicContact CZ-OD1 2.71Å; R452-D462 IonicContact CZ-OD2 2.68Å; R452-D462 IonicContact NE-OD1 3.49Å; R452-D462 PolarHBondContact NE-OD1 3.49Å; R452-D462 IonicContact NE-OD2 3.33Å; R452-D462 IonicContact NH2-OD1 2.71Å; R452-D462 PolarHBondContact NH2-OD1 2.71Å; R452-D462 IonicContact NH2-OD2 3.73Å; R452-D462 PolarHBondContact NH2-OD2 3.43Å; S458-D462 PolarHBondContact O-N 3.37Å; D462-D465 WeakPolarHBondContact O-CB 3.44Å; D462-D465 PolarHBondContact O-N 3.11Å; D462-G466 PolarHBondContact O-N 2.9Å; D462-Y507 PolarHBondContact OD1-OH 3.36Å; D462-V518 HydrophobicContact CB-CG2 3.79Å; D462-V518 WeakPolarHBondContact O-CG2 3.31Å |
| 463 | S | 84.9 | Confident | 78 | Confident | 61 Ų | 61 | 42.8 Ų | 42.8 | 43% | 0.427 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64 | -39.9 | 173.7 | 179.3 | 0 | 0 | 0 | 0 | 113.1 | S459 N461 G466 E467 Q521 | S459-S463 PolarHBondContact O-N 3.17Å; N461-S463 VanDerWaalsContact C-N 3.29Å; N461-S463 PolarHBondContact O-N 3.45Å; S463-G466 PolarHBondContact O-N 3.05Å; S463-E467 PolarHBondContact O-N 3.34Å; S463-Q521 PolarHBondContact O-NE2 2.7Å; S463-Q521 PolarHBondContact O-OE1 3.35Å |
| 464 | K | 86 | Confident | 79.1 | Confident | 45 Ų | 45 | 43 Ų | 43 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.7 | -37.2 | 175.5 | -76.3 | -72.3 | 171.6 | -169.2 | 0 | 112.2 | Y400 A404 E405 L408 G460 N461 E467 M468 | Y400-K464 HydrophobicContact CE1-CB 4.31Å; A404-K464 HydrophobicContact CB-CB 4.05Å; A404-K464 HydrophobicContact CB-CD 4.36Å; A404-K464 HydrophobicContact CB-CG 4.4Å; E405-K464 IonicContact OE2-NZ 3.83Å; E405-K464 PolarHBondContact OE2-NZ 3.07Å; L408-K464 HydrophobicContact CD1-CD 4.34Å; G460-K464 PolarHBondContact O-N 2.86Å; N461-K464 PolarHBondContact O-N 2.86Å; N461-K464 VanDerWaalsContact O-N 3.16Å; K464-E467 IonicContact NZ-OE2 2.69Å; K464-E467 PolarHBondContact NZ-OE2 3.5Å; K464-E467 VanDerWaalsContact NZ-OE2 3.08Å; K464-E467 PolarHBondContact O-N 2.93Å; K464-M468 WeakPolarHBondContact O-CE 3.34Å; K464-M468 PolarHBondContact O-N 3.09Å |
| 465 | D | 88.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.1 | -47.7 | 170.2 | -72.4 | -39.5 | 0 | 0 | 0 | 111.1 | R397 Y400 N461 D462 E467 M468 I469 Y507 | R397-D465 IonicContact CZ-OD1 2.63Å; R397-D465 IonicContact CZ-OD2 2.82Å; R397-D465 VanDerWaalsContact CZ-OD2 3.23Å; R397-D465 IonicContact NH1-OD1 2.63Å; R397-D465 IonicContact NH1-OD2 3.74Å; R397-D465 PolarHBondContact NH1-OD2 3.36Å; R397-D465 VanDerWaalsContact NH2-CG 3.3Å; R397-D465 IonicContact NH2-OD1 2.93Å; R397-D465 PolarHBondContact NH2-OD1 2.96Å; R397-D465 IonicContact NH2-OD2 3.44Å; R397-D465 PolarHBondContact NH2-OD2 2.92Å; Y400-D465 WeakPolarHBondContact CE1-OD1 2.91Å; Y400-D465 VanDerWaalsContact CZ-OD1 3.27Å; Y400-D465 PolarHBondContact OH-OD1 3.09Å; N461-D465 PolarHBondContact O-N 2.93Å; D462-D465 WeakPolarHBondContact O-CB 3.44Å; D462-D465 PolarHBondContact O-N 3.11Å; D465-E467 VanDerWaalsContact C-N 3.31Å; D465-E467 PolarHBondContact O-N 3.49Å; D465-M468 PolarHBondContact O-N 3.48Å; D465-I469 HydrophobicContact CB-CD1 4.47Å; D465-I469 WeakPolarHBondContact O-CB 3.34Å; D465-I469 WeakPolarHBondContact O-CD1 3.25Å; D465-I469 WeakPolarHBondContact O-CG1 3.42Å; D465-I469 PolarHBondContact O-N 2.74Å; D465-Y507 HydrophobicContact CB-CE2 3.98Å; D465-Y507 VanDerWaalsContact CB-OH 3.23Å; D465-Y507 WeakPolarHBondContact CB-OH 3.49Å; D465-Y507 VanDerWaalsContact CG-OH 3.28Å; D465-Y507 PolarHBondContact OD2-OH 3.21Å |
| 466 | G | 88.2 | Confident | 82.1 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.5 | -42.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D462 S463 I469 C470 | D462-G466 PolarHBondContact O-N 2.9Å; S463-G466 PolarHBondContact O-N 3.05Å; G466-I469 PolarHBondContact O-N 3.07Å; G466-C470 WeakPolarHBondContact O-CB 3.32Å; G466-C470 PolarHBondContact O-N 3.11Å; G466-C470 PolarHBondContact O-SG 3.31Å |
| 467 | E | 90.2 | Very high | 83.5 | Confident | 54 Ų | 54 | 35 Ų | 35 | 25% | 0.252 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.6 | -50.3 | 176.6 | -172.2 | 174.4 | -168.9 | 0 | 0 | 111.9 | L408 S463 K464 D465 I469 C470 R471 | L408-E467 HydrophobicContact CD1-CB 4.27Å; L408-E467 HydrophobicContact CD1-CG 3.85Å; L408-E467 WeakPolarHBondContact CD1-OE2 3.24Å; L408-E467 HydrophobicContact CD2-CG 4.07Å; S463-E467 PolarHBondContact O-N 3.34Å; K464-E467 IonicContact NZ-OE2 2.69Å; K464-E467 PolarHBondContact NZ-OE2 3.5Å; K464-E467 VanDerWaalsContact NZ-OE2 3.08Å; K464-E467 PolarHBondContact O-N 2.93Å; D465-E467 VanDerWaalsContact C-N 3.31Å; D465-E467 PolarHBondContact O-N 3.49Å; E467-I469 PolarHBondContact O-N 3.47Å; E467-C470 WeakPolarHBondContact O-CB 3.24Å; E467-C470 PolarHBondContact O-N 3.24Å; E467-R471 WeakPolarHBondContact O-CG 3.43Å; E467-R471 PolarHBondContact O-N 2.84Å; E467-R471 VanDerWaalsContact O-N 3.09Å; E467-R471 IonicContact OE1-NH2 3.11Å; E467-R471 PolarHBondContact OE1-NH2 3.47Å |
| 468 | M | 91.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.7 | -45.4 | 176.9 | -79.4 | -178.1 | -79.3 | 0 | 0 | 112.1 | Y400 A404 L407 L408 I445 K464 D465 C470 R471 V472 | Y400-M468 HydrophobicContact CE1-CE 4.08Å; Y400-M468 HydrophobicContact CE2-CE 4.36Å; Y400-M468 WeakPolarHBondContact OH-CE 3.36Å; A404-M468 HydrophobicContact CB-CE 3.47Å; A404-M468 VanDerWaalsContact CB-CE 3.47Å; A404-M468 HydrophobicContact CB-SD 4.26Å; L407-M468 HydrophobicContact CB-SD 4.38Å; L408-M468 HydrophobicContact CD1-CG 4.09Å; L408-M468 HydrophobicContact CD2-CB 4.24Å; L408-M468 HydrophobicContact CD2-CG 3.47Å; L408-M468 VanDerWaalsContact CD2-CG 3.47Å; L408-M468 HydrophobicContact CG-CG 3.54Å; L408-M468 HydrophobicContact CG-SD 4.49Å; I445-M468 HydrophobicContact CG1-SD 4.3Å; I445-M468 HydrophobicContact CG2-CB 4Å; I445-M468 HydrophobicContact CG2-SD 4.39Å; K464-M468 WeakPolarHBondContact O-CE 3.34Å; K464-M468 PolarHBondContact O-N 3.09Å; D465-M468 PolarHBondContact O-N 3.48Å; M468-C470 VanDerWaalsContact C-N 3.31Å; M468-C470 PolarHBondContact O-N 3.45Å; M468-R471 PolarHBondContact O-N 2.85Å; M468-V472 WeakPolarHBondContact O-CG2 3.43Å; M468-V472 PolarHBondContact O-N 3.42Å |
| 469 | I | 92.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.7 | -43.4 | 178.4 | -66.5 | 159.4 | 0 | 0 | 0 | 110.5 | I449 D465 G466 E467 R471 V472 L473 F499 F503 Y507 V518 I522 | I449-I469 HydrophobicContact CD1-CD1 4.14Å; I449-I469 HydrophobicContact CD1-CG1 3.49Å; I449-I469 VanDerWaalsContact CD1-CG1 3.49Å; I449-I469 HydrophobicContact CG1-CG1 4.31Å; D465-I469 HydrophobicContact CB-CD1 4.47Å; D465-I469 WeakPolarHBondContact O-CB 3.34Å; D465-I469 WeakPolarHBondContact O-CD1 3.25Å; D465-I469 WeakPolarHBondContact O-CG1 3.42Å; D465-I469 PolarHBondContact O-N 2.74Å; G466-I469 PolarHBondContact O-N 3.07Å; E467-I469 PolarHBondContact O-N 3.47Å; I469-R471 PolarHBondContact O-N 3.28Å; I469-V472 PolarHBondContact O-N 2.95Å; I469-L473 HydrophobicContact CG2-CD1 3.64Å; I469-L473 HydrophobicContact CG2-CG 4.03Å; I469-L473 WeakPolarHBondContact O-CB 3.14Å; I469-L473 VanDerWaalsContact O-CG 3.25Å; I469-L473 WeakPolarHBondContact O-CG 3.45Å; I469-L473 PolarHBondContact O-N 2.91Å; I469-F499 HydrophobicContact CB-CZ 4.29Å; I469-F499 HydrophobicContact CG1-CE2 4.45Å; I469-F499 HydrophobicContact CG1-CZ 4.12Å; I469-F499 HydrophobicContact CG2-CZ 4.17Å; I469-F503 HydrophobicContact CD1-CD2 3.65Å; I469-F503 HydrophobicContact CD1-CE2 3.79Å; I469-F503 HydrophobicContact CG1-CD2 4.11Å; I469-F503 HydrophobicContact CG1-CE2 4.44Å; I469-F503 HydrophobicContact CG2-CD2 4.09Å; I469-F503 HydrophobicContact CG2-CE1 4.33Å; I469-F503 HydrophobicContact CG2-CE2 3.91Å; I469-F503 HydrophobicContact CG2-CG 4.41Å; I469-F503 HydrophobicContact CG2-CZ 4.03Å; I469-Y507 HydrophobicContact CD1-CD2 3.85Å; I469-Y507 HydrophobicContact CD1-CE2 3.95Å; I469-V518 HydrophobicContact CD1-CG1 4.05Å; I469-I522 HydrophobicContact CB-CD1 4.1Å; I469-I522 HydrophobicContact CB-CG1 4.44Å; I469-I522 HydrophobicContact CD1-CD1 4.39Å; I469-I522 HydrophobicContact CG2-CD1 3.45Å; I469-I522 VanDerWaalsContact CG2-CD1 3.45Å; I469-I522 HydrophobicContact CG2-CG1 4Å |
| 470 | C | 91.6 | Very high | 86.3 | Confident | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.02 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.9 | -48.6 | 176.7 | -69.8 | 0 | 0 | 0 | 0 | 111.7 | G466 E467 M468 V472 L473 Q474 I522 S525 | G466-C470 WeakPolarHBondContact O-CB 3.32Å; G466-C470 PolarHBondContact O-N 3.11Å; G466-C470 PolarHBondContact O-SG 3.31Å; E467-C470 WeakPolarHBondContact O-CB 3.24Å; E467-C470 PolarHBondContact O-N 3.24Å; M468-C470 VanDerWaalsContact C-N 3.31Å; M468-C470 PolarHBondContact O-N 3.45Å; C470-V472 PolarHBondContact O-N 3.36Å; C470-L473 PolarHBondContact O-N 3.29Å; C470-Q474 WeakPolarHBondContact O-CB 3.45Å; C470-Q474 WeakPolarHBondContact O-CG 3.46Å; C470-Q474 PolarHBondContact O-N 3.06Å; C470-I522 VanDerWaalsContact SG-CA 3.57Å; C470-S525 WeakPolarHBondContact SG-CB 3.32Å |
| 471 | R | 91.9 | Very high | 86.2 | Confident | 76 Ų | 76 | 32.2 Ų | 32.2 | 29% | 0.287 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.4 | -42.2 | -179.1 | -61.9 | -55.3 | -178.7 | 95.2 | 14.5 | 112.1 | L408 F411 D412 E467 M468 I469 Q474 L475 | L408-R471 HydrophobicContact CD2-CG 3.96Å; F411-R471 HydrophobicContact CD1-CB 3.94Å; F411-R471 HydrophobicContact CE1-CB 3.6Å; D412-R471 IonicContact OD1-CZ 2.83Å; D412-R471 IonicContact OD1-NH1 3.54Å; D412-R471 PolarHBondContact OD1-NH1 3.4Å; D412-R471 IonicContact OD2-CZ 2.64Å; D412-R471 IonicContact OD2-NH1 3.14Å; D412-R471 PolarHBondContact OD2-NH1 2.96Å; D412-R471 IonicContact OD2-NH2 3.08Å; E467-R471 WeakPolarHBondContact O-CG 3.43Å; E467-R471 PolarHBondContact O-N 2.84Å; E467-R471 VanDerWaalsContact O-N 3.09Å; E467-R471 IonicContact OE1-NH2 3.11Å; E467-R471 PolarHBondContact OE1-NH2 3.47Å; M468-R471 PolarHBondContact O-N 2.85Å; I469-R471 PolarHBondContact O-N 3.28Å; R471-Q474 PolarHBondContact O-N 3.48Å; R471-L475 PolarHBondContact O-N 2.97Å |
| 472 | V | 93.4 | Very high | 85 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.8 | -43.9 | 177.5 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | F411 L442 I445 M468 I469 C470 Q474 L475 I476 F499 | F411-V472 HydrophobicContact CE2-CG2 3.95Å; F411-V472 HydrophobicContact CZ-CG2 3.94Å; L442-V472 HydrophobicContact CD2-CB 4.29Å; L442-V472 HydrophobicContact CD2-CG1 3.53Å; L442-V472 HydrophobicContact CD2-CG2 3.82Å; I445-V472 HydrophobicContact CD1-CG2 4Å; I445-V472 HydrophobicContact CG2-CG2 4.04Å; M468-V472 WeakPolarHBondContact O-CG2 3.43Å; M468-V472 PolarHBondContact O-N 3.42Å; I469-V472 PolarHBondContact O-N 2.95Å; C470-V472 PolarHBondContact O-N 3.36Å; V472-Q474 VanDerWaalsContact C-N 3.34Å; V472-Q474 PolarHBondContact O-N 3.4Å; V472-L475 WeakPolarHBondContact O-CB 3.43Å; V472-L475 PolarHBondContact O-N 3.01Å; V472-I476 HydrophobicContact CG1-CD1 4.1Å; V472-I476 WeakPolarHBondContact O-CG1 3.49Å; V472-I476 PolarHBondContact O-N 3.23Å; V472-F499 HydrophobicContact CB-CD1 4.33Å; V472-F499 HydrophobicContact CB-CD2 4.34Å; V472-F499 HydrophobicContact CB-CE1 3.89Å; V472-F499 HydrophobicContact CB-CE2 3.86Å; V472-F499 HydrophobicContact CB-CZ 3.65Å; V472-F499 HydrophobicContact CG1-CD1 3.44Å; V472-F499 VanDerWaalsContact CG1-CD1 3.44Å; V472-F499 HydrophobicContact CG1-CD2 3.93Å; V472-F499 HydrophobicContact CG1-CE1 3.45Å; V472-F499 VanDerWaalsContact CG1-CE1 3.45Å; V472-F499 HydrophobicContact CG1-CE2 3.91Å; V472-F499 HydrophobicContact CG1-CG 3.71Å; V472-F499 HydrophobicContact CG1-CZ 3.7Å; V472-F499 HydrophobicContact CG2-CD2 4.28Å; V472-F499 HydrophobicContact CG2-CE2 3.92Å; V472-F499 HydrophobicContact CG2-CZ 4.23Å |
| 473 | L | 91.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.7 | -36.9 | 176.4 | -69 | 179.1 | 0 | 0 | 0 | 112.1 | I469 C470 I476 R477 F499 L500 F503 I522 L526 V537 | I469-L473 HydrophobicContact CG2-CD1 3.64Å; I469-L473 HydrophobicContact CG2-CG 4.03Å; I469-L473 WeakPolarHBondContact O-CB 3.14Å; I469-L473 VanDerWaalsContact O-CG 3.25Å; I469-L473 WeakPolarHBondContact O-CG 3.45Å; I469-L473 PolarHBondContact O-N 2.91Å; C470-L473 PolarHBondContact O-N 3.29Å; L473-I476 HydrophobicContact CD2-CD1 4.36Å; L473-I476 PolarHBondContact O-N 3.22Å; L473-R477 WeakPolarHBondContact O-CG 3.5Å; L473-R477 PolarHBondContact O-N 3.39Å; L473-F499 HydrophobicContact CD2-CE1 4.28Å; L473-L500 HydrophobicContact CD2-CD2 3.89Å; L473-F503 HydrophobicContact CD1-CE1 4.45Å; L473-I522 HydrophobicContact CD1-CG2 3.83Å; L473-L526 HydrophobicContact CB-CD1 3.9Å; L473-L526 HydrophobicContact CD1-CD1 3.88Å; L473-V537 HydrophobicContact CD2-CG1 4.11Å |
| 474 | Q | 90.3 | Very high | 82 | Confident | 69 Ų | 69 | 37 Ų | 37 | 32% | 0.322 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.7 | -46.5 | 171.6 | -75.3 | 173.2 | -1.9 | 0 | 0 | 110.8 | C470 R471 V472 I476 R477 V478 L526 | C470-Q474 WeakPolarHBondContact O-CB 3.45Å; C470-Q474 WeakPolarHBondContact O-CG 3.46Å; C470-Q474 PolarHBondContact O-N 3.06Å; R471-Q474 PolarHBondContact O-N 3.48Å; V472-Q474 VanDerWaalsContact C-N 3.34Å; V472-Q474 PolarHBondContact O-N 3.4Å; Q474-I476 PolarHBondContact O-N 3.12Å; Q474-R477 PolarHBondContact O-N 2.76Å; Q474-V478 WeakPolarHBondContact O-CG2 3.35Å; Q474-V478 PolarHBondContact O-N 3.02Å; Q474-L526 HydrophobicContact CB-CD2 4.46Å; Q474-L526 HydrophobicContact CG-CD2 3.36Å |
| 475 | L | 90.4 | Very high | 80.3 | Confident | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.9 | -47.4 | 176.3 | 177.9 | 64.8 | 0 | 0 | 0 | 111.4 | F411 V415 L438 R471 V472 R477 V478 T479 M492 Y496 | F411-L475 HydrophobicContact CE2-CD2 3.91Å; F411-L475 HydrophobicContact CZ-CB 4.05Å; F411-L475 HydrophobicContact CZ-CD2 3.6Å; F411-L475 HydrophobicContact CZ-CG 4.44Å; V415-L475 HydrophobicContact CG1-CD1 4.12Å; V415-L475 HydrophobicContact CG2-CD1 4.06Å; V415-L475 HydrophobicContact CG2-CD2 3.97Å; V415-L475 HydrophobicContact CG2-CG 4.48Å; L438-L475 HydrophobicContact CD1-CD2 4.32Å; L438-L475 HydrophobicContact CD2-CD2 4.03Å; L438-L475 HydrophobicContact CG-CD2 4.41Å; R471-L475 PolarHBondContact O-N 2.97Å; V472-L475 WeakPolarHBondContact O-CB 3.43Å; V472-L475 PolarHBondContact O-N 3.01Å; L475-R477 VanDerWaalsContact C-N 3.32Å; L475-R477 PolarHBondContact O-N 3.27Å; L475-V478 PolarHBondContact O-N 3.32Å; L475-T479 HydrophobicContact CD1-CG2 4.01Å; L475-T479 HydrophobicContact CG-CG2 4.46Å; L475-T479 PolarHBondContact O-N 2.91Å; L475-T479 PolarHBondContact O-OG1 3.09Å; L475-M492 HydrophobicContact CD2-CE 3.77Å; L475-Y496 HydrophobicContact CD2-CE1 4.06Å; L475-Y496 HydrophobicContact CG-CE1 4.32Å; L475-Y496 WeakPolarHBondContact CG-OH 3.31Å |
| 476 | I | 89.5 | Confident | 78.9 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.6 | -42.2 | 177 | -69.2 | 168.2 | 0 | 0 | 0 | 111.6 | V472 L473 Q474 T479 G480 Y496 F499 L500 K541 | V472-I476 HydrophobicContact CG1-CD1 4.1Å; V472-I476 WeakPolarHBondContact O-CG1 3.49Å; V472-I476 PolarHBondContact O-N 3.23Å; L473-I476 HydrophobicContact CD2-CD1 4.36Å; L473-I476 PolarHBondContact O-N 3.22Å; Q474-I476 PolarHBondContact O-N 3.12Å; I476-T479 WeakPolarHBondContact CA-OG1 3.27Å; I476-T479 PolarHBondContact O-OG1 3.26Å; I476-G480 PolarHBondContact O-N 3.06Å; I476-Y496 HydrophobicContact CD1-CD1 3.9Å; I476-Y496 HydrophobicContact CD1-CE1 4.48Å; I476-Y496 HydrophobicContact CD1-CG 4.16Å; I476-Y496 HydrophobicContact CG1-CD1 3.46Å; I476-Y496 VanDerWaalsContact CG1-CD1 3.46Å; I476-Y496 HydrophobicContact CG1-CD2 4.24Å; I476-Y496 HydrophobicContact CG1-CE1 3.61Å; I476-Y496 HydrophobicContact CG1-CE2 4.38Å; I476-Y496 HydrophobicContact CG1-CG 3.79Å; I476-F499 HydrophobicContact CD1-CD1 4.44Å; I476-L500 HydrophobicContact CD1-CD1 4.42Å; I476-L500 HydrophobicContact CD1-CD2 4.2Å; I476-L500 HydrophobicContact CD1-CG 4.28Å; I476-K541 HydrophobicContact CG2-CB 4.24Å; I476-K541 HydrophobicContact CG2-CD 3.86Å; I476-K541 HydrophobicContact CG2-CG 3.99Å |
| 477 | R | 84.8 | Confident | 77.8 | Confident | 117 Ų | 117 | 53.5 Ų | 53.5 | 44% | 0.442 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 178.1 | -72.3 | 178.5 | 69.3 | -174 | 1.6 | 112.2 | L473 Q474 L475 S481 L526 V537 | L473-R477 WeakPolarHBondContact O-CG 3.5Å; L473-R477 PolarHBondContact O-N 3.39Å; Q474-R477 PolarHBondContact O-N 2.76Å; L475-R477 VanDerWaalsContact C-N 3.32Å; L475-R477 PolarHBondContact O-N 3.27Å; R477-S481 WeakPolarHBondContact O-CB 3.29Å; R477-S481 PolarHBondContact O-N 3.3Å; R477-S481 PolarHBondContact O-OG 3.01Å; R477-L526 PolarHBondContact NH1-O 3.43Å; R477-L526 VanDerWaalsContact NH1-O 3.13Å; R477-V537 HydrophobicContact CG-CG1 4.34Å |
| 478 | V | 82.7 | Confident | 77 | Confident | 64 Ų | 64 | 54.7 Ų | 54.7 | 39% | 0.388 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67.3 | -43.7 | 178.6 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | Q474 L475 S481 T482 | Q474-V478 WeakPolarHBondContact O-CG2 3.35Å; Q474-V478 PolarHBondContact O-N 3.02Å; L475-V478 PolarHBondContact O-N 3.32Å; V478-S481 PolarHBondContact O-OG 3.49Å; V478-T482 PolarHBondContact O-N 2.91Å; V478-T482 PolarHBondContact O-OG1 3.38Å |
| 479 | T | 79.6 | Confident | 76.6 | Confident | 8 Ų | 8 | 55.5 Ų | 55.5 | 5% | 0.049 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.8 | -39.6 | 177.4 | 50.7 | 0 | 0 | 0 | 0 | 112.4 | Y418 L475 I476 Q483 R486 Y496 | Y418-T479 HydrophobicContact CE1-CG2 4.27Å; L475-T479 HydrophobicContact CD1-CG2 4.01Å; L475-T479 HydrophobicContact CG-CG2 4.46Å; L475-T479 PolarHBondContact O-N 2.91Å; L475-T479 PolarHBondContact O-OG1 3.09Å; I476-T479 WeakPolarHBondContact CA-OG1 3.27Å; I476-T479 PolarHBondContact O-OG1 3.26Å; T479-Q483 PolarHBondContact O-N 3.29Å; T479-R486 VanDerWaalsContact CG2-NH1 3.26Å; T479-Y496 WeakPolarHBondContact CG2-OH 3.38Å; T479-Y496 PolarHBondContact OG1-OH 2.93Å; T479-Y496 VanDerWaalsContact OG1-OH 3.14Å |
| 480 | G | 72.5 | Confident | 76.2 | Confident | 26 Ų | 26 | 57.9 Ų | 57.9 | 27% | 0.268 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.9 | -35.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | I476 | I476-G480 PolarHBondContact O-N 3.06Å |
| 481 | S | 65.6 | Low | 76 | Confident | 94 Ų | 94 | 58.5 Ų | 58.5 | 66% | 0.657 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -74.1 | -25.1 | 179 | 52.8 | 0 | 0 | 0 | 0 | 114 | R477 V478 | R477-S481 WeakPolarHBondContact O-CB 3.29Å; R477-S481 PolarHBondContact O-N 3.3Å; R477-S481 PolarHBondContact O-OG 3.01Å; V478-S481 PolarHBondContact O-OG 3.49Å |
| 482 | T | 55.8 | Low | 75.9 | Confident | 41 Ų | 41 | 55 Ų | 55 | 25% | 0.252 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 8.5 | -175.8 | 51 | 0 | 0 | 0 | 0 | 113.6 | V478 S484 Q485 R486 | V478-T482 PolarHBondContact O-N 2.91Å; V478-T482 PolarHBondContact O-OG1 3.38Å; T482-S484 VanDerWaalsContact C-N 3.27Å; T482-S484 PolarHBondContact O-N 3.08Å; T482-Q485 PolarHBondContact O-N 3.22Å; T482-R486 PolarHBondContact O-N 3.37Å; T482-R486 VanDerWaalsContact OG1-CD 3.28Å; T482-R486 WeakPolarHBondContact OG1-CD 3.39Å; T482-R486 PolarHBondContact OG1-NE 3.43Å |
| 483 | Q | 53.1 | Low | 75.8 | Confident | 40 Ų | 40 | 55.3 Ų | 55.3 | 19% | 0.187 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -20.9 | -167.7 | -142.1 | 155.4 | 13.2 | 0 | 0 | 114.5 | T479 Q485 R486 E493 H544 | T479-Q483 PolarHBondContact O-N 3.29Å; Q483-Q485 PolarHBondContact O-N 3.48Å; Q483-R486 PolarHBondContact O-N 3.28Å; Q483-E493 PolarHBondContact NE2-OE1 2.86Å; Q483-H544 PolarHBondContact OE1-CE1 3.44Å; Q483-H544 PolarHBondContact OE1-NE2 3.13Å |
| 484 | S | 51.6 | Low | 75.7 | Confident | 124 Ų | 124 | 56.2 Ų | 56.2 | 87% | 0.867 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -16 | 170.1 | 55.8 | 0 | 0 | 0 | 0 | 113.4 | T482 | T482-S484 VanDerWaalsContact C-N 3.27Å; T482-S484 PolarHBondContact O-N 3.08Å |
| 485 | Q | 50.2 | Low | 75.8 | Confident | 173 Ų | 173 | 53 Ų | 53 | 81% | 0.808 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | -12 | 178.1 | -66.7 | -176.5 | -22.6 | 0 | 0 | 114 | T482 Q483 | T482-Q485 PolarHBondContact O-N 3.22Å; Q483-Q485 PolarHBondContact O-N 3.48Å |
| 486 | R | 58.8 | Low | 76 | Confident | 46 Ų | 46 | 52.7 Ų | 52.7 | 17% | 0.174 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -102.7 | 149.1 | -173.9 | -70.1 | -173.1 | 177.6 | -170 | -1.6 | 112.7 | N419 F422 T479 T482 Q483 | N419-R486 PolarHBondContact OD1-NH2 3.03Å; F422-R486 HydrophobicContact CD1-CG 4.24Å; F422-R486 HydrophobicContact CE1-CB 4.27Å; F422-R486 HydrophobicContact CE1-CG 4.09Å; F422-R486 HydrophobicContact CZ-CG 4.43Å; T479-R486 VanDerWaalsContact CG2-NH1 3.26Å; T482-R486 PolarHBondContact O-N 3.37Å; T482-R486 VanDerWaalsContact OG1-CD 3.28Å; T482-R486 WeakPolarHBondContact OG1-CD 3.39Å; T482-R486 PolarHBondContact OG1-NE 3.43Å; Q483-R486 PolarHBondContact O-N 3.28Å |
| 487 | R | 65.9 | Low | 76.1 | Confident | 174 Ų | 174 | 52.6 Ų | 52.6 | 66% | 0.657 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -66 | 129.5 | 171.9 | -69.6 | -177.1 | 177.4 | 168.4 | 1.3 | 109.5 | ||
| 488 | F | 73 | Confident | 76.4 | Confident | 78 Ų | 78 | 47.5 Ų | 47.5 | 34% | 0.342 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 139.8 | 170.5 | 163.9 | -98.4 | 0 | 0 | 0 | 110.4 | N490 E493 F549 H552 L555 | F488-N490 HydrophobicContact CE1-CB 4.07Å; F488-N490 HydrophobicContact CZ-CB 4.02Å; F488-E493 HydrophobicContact CD2-CG 4.37Å; F488-E493 HydrophobicContact CE2-CG 3.95Å; F488-F549 AromaticContact CD2-CD1 3.5Å; F488-F549 HydrophobicContact CD2-CD1 3.5Å; F488-F549 VanDerWaalsContact CD2-CD1 3.5Å; F488-F549 AromaticContact CD2-CE1 3.09Å; F488-F549 HydrophobicContact CD2-CE1 3.09Å; F488-F549 HydrophobicContact CD2-CG 4.44Å; F488-F549 AromaticContact CD2-CZ 3.72Å; F488-F549 HydrophobicContact CD2-CZ 3.72Å; F488-F549 AromaticContact CE2-CD1 3.32Å; F488-F549 HydrophobicContact CE2-CD1 3.32Å; F488-F549 HydrophobicContact CE2-CD2 4.27Å; F488-F549 AromaticContact CE2-CE1 3.32Å; F488-F549 HydrophobicContact CE2-CE1 3.32Å; F488-F549 HydrophobicContact CE2-CE2 4.22Å; F488-F549 AromaticContact CE2-CG 3.86Å; F488-F549 HydrophobicContact CE2-CG 3.86Å; F488-F549 AromaticContact CE2-CZ 3.78Å; F488-F549 HydrophobicContact CE2-CZ 3.78Å; F488-F549 HydrophobicContact CG-CD1 4.45Å; F488-F549 HydrophobicContact CG-CE1 4.16Å; F488-F549 HydrophobicContact CZ-CD1 4.23Å; F488-H552 AromaticContact CE1-CD2 3.95Å; F488-H552 AromaticContact CE1-CE1 3.21Å; F488-H552 WeakPolarHBondContact CE1-CE1 3.33Å; F488-H552 AromaticContact CE1-ND1 3.89Å; F488-H552 AromaticContact CE1-NE2 3.21Å; F488-H552 WeakPolarHBondContact CE1-NE2 3.48Å; F488-H552 AromaticContact CZ-CD2 3.7Å; F488-H552 AromaticContact CZ-CE1 3.5Å; F488-H552 AromaticContact CZ-CG 3.86Å; F488-H552 AromaticContact CZ-ND1 3.72Å; F488-H552 AromaticContact CZ-NE2 3.47Å; F488-H552 WeakPolarHBondContact CZ-NE2 3.28Å; F488-L555 HydrophobicContact CE2-CD1 3.9Å; F488-L555 HydrophobicContact CZ-CD1 3.74Å |
| 489 | S | 83.1 | Confident | 77 | Confident | 17 Ų | 17 | 44.5 Ų | 44.5 | 12% | 0.119 | 24% | 0.236 | C | C | . | . | trans | -136.7 | 116.2 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | E435 I491 M492 E493 | E435-S489 VanDerWaalsContact CD-OG 3.23Å; E435-S489 WeakPolarHBondContact OE1-CB 3.45Å; E435-S489 PolarHBondContact OE1-OG 3.03Å; S489-I491 VanDerWaalsContact C-N 3.34Å; S489-I491 PolarHBondContact O-N 3.35Å; S489-I491 VanDerWaalsContact OG-CG1 3.24Å; S489-I491 WeakPolarHBondContact OG-CG1 3.41Å; S489-M492 PolarHBondContact O-N 3.21Å; S489-M492 PolarHBondContact OG-N 3.11Å; S489-E493 WeakPolarHBondContact O-CG 3.4Å; S489-E493 PolarHBondContact O-N 3.3Å; S489-E493 VanDerWaalsContact O-N 3.14Å | ||
| 490 | N | 84.2 | Confident | 77.7 | Confident | 51 Ų | 51 | 44.1 Ų | 44.1 | 27% | 0.273 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.8 | -40.8 | -179.5 | -171 | 55.4 | 0 | 0 | 0 | 112 | F488 M492 E493 M494 L555 | F488-N490 HydrophobicContact CE1-CB 4.07Å; F488-N490 HydrophobicContact CZ-CB 4.02Å; N490-M492 VanDerWaalsContact C-N 3.34Å; N490-M492 PolarHBondContact O-N 3.49Å; N490-E493 PolarHBondContact O-N 3.08Å; N490-M494 WeakPolarHBondContact O-CB 3.17Å; N490-M494 WeakPolarHBondContact O-CG 3.31Å; N490-M494 PolarHBondContact O-N 3.3Å; N490-L555 WeakPolarHBondContact OD1-CD1 3.41Å; N490-L555 WeakPolarHBondContact OD1-CG 3.33Å |
| 491 | I | 87.9 | Confident | 78.6 | Confident | 15 Ų | 15 | 46 Ų | 46 | 8% | 0.077 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.9 | -37.5 | -179.1 | 55.7 | 170.6 | 0 | 0 | 0 | 112 | V376 L379 E435 V439 S489 A495 | V376-I491 HydrophobicContact CG1-CD1 4.45Å; V376-I491 HydrophobicContact CG1-CG2 4.13Å; V376-I491 HydrophobicContact CG2-CD1 4.32Å; L379-I491 HydrophobicContact CB-CG2 4.47Å; L379-I491 HydrophobicContact CD1-CD1 4.24Å; E435-I491 HydrophobicContact CG-CD1 4.34Å; V439-I491 HydrophobicContact CG2-CB 4.32Å; V439-I491 HydrophobicContact CG2-CD1 4.2Å; V439-I491 HydrophobicContact CG2-CG1 4.09Å; S489-I491 VanDerWaalsContact C-N 3.34Å; S489-I491 PolarHBondContact O-N 3.35Å; S489-I491 VanDerWaalsContact OG-CG1 3.24Å; S489-I491 WeakPolarHBondContact OG-CG1 3.41Å; I491-A495 WeakPolarHBondContact O-CB 3.26Å; I491-A495 PolarHBondContact O-N 3.02Å |
| 492 | M | 89.7 | Confident | 79.7 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.02 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.6 | -43 | 177.7 | -165.3 | 69.8 | -177.2 | 0 | 0 | 111.3 | L438 V439 L442 L475 S489 N490 A495 Y496 | L438-M492 HydrophobicContact CD2-CE 3.43Å; L438-M492 VanDerWaalsContact CD2-CE 3.43Å; L438-M492 HydrophobicContact CD2-SD 4.3Å; L438-M492 HydrophobicContact CG-CE 3.77Å; L438-M492 HydrophobicContact CG-SD 4.39Å; V439-M492 HydrophobicContact CG2-CB 4.31Å; V439-M492 HydrophobicContact CG2-SD 3.69Å; L442-M492 HydrophobicContact CD1-CE 3.51Å; L442-M492 HydrophobicContact CD1-SD 3.85Å; L475-M492 HydrophobicContact CD2-CE 3.77Å; S489-M492 PolarHBondContact O-N 3.21Å; S489-M492 PolarHBondContact OG-N 3.11Å; N490-M492 VanDerWaalsContact C-N 3.34Å; N490-M492 PolarHBondContact O-N 3.49Å; M492-A495 PolarHBondContact O-N 3.48Å; M492-Y496 HydrophobicContact CE-CE1 3.62Å; M492-Y496 HydrophobicContact CE-CE2 4.38Å; M492-Y496 VanDerWaalsContact CE-CZ 3.46Å; M492-Y496 WeakPolarHBondContact CE-OH 3.5Å; M492-Y496 HydrophobicContact CG-CE1 4.5Å; M492-Y496 HydrophobicContact CG-CE2 3.87Å; M492-Y496 WeakPolarHBondContact O-CD2 3.48Å; M492-Y496 PolarHBondContact O-N 3.42Å |
| 493 | E | 90.5 | Very high | 81.4 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.028 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.4 | -38.5 | 177.8 | -70.6 | -65 | 167.8 | 0 | 0 | 112.7 | Q483 F488 S489 N490 Y496 L497 K541 F549 L555 | Q483-E493 PolarHBondContact NE2-OE1 2.86Å; F488-E493 HydrophobicContact CD2-CG 4.37Å; F488-E493 HydrophobicContact CE2-CG 3.95Å; S489-E493 WeakPolarHBondContact O-CG 3.4Å; S489-E493 PolarHBondContact O-N 3.3Å; S489-E493 VanDerWaalsContact O-N 3.14Å; N490-E493 PolarHBondContact O-N 3.08Å; E493-Y496 PolarHBondContact O-N 3.35Å; E493-L497 WeakPolarHBondContact O-CG 3.43Å; E493-L497 PolarHBondContact O-N 3.27Å; E493-K541 IonicContact OE1-NZ 2.9Å; E493-K541 PolarHBondContact OE1-NZ 3.35Å; E493-K541 WeakPolarHBondContact OE2-CE 3.46Å; E493-K541 IonicContact OE2-NZ 3.63Å; E493-K541 PolarHBondContact OE2-NZ 3.45Å; E493-F549 HydrophobicContact CG-CE2 4Å; E493-F549 HydrophobicContact CG-CZ 4.05Å; E493-L555 HydrophobicContact CB-CD1 3.84Å; E493-L555 HydrophobicContact CB-CD2 3.54Å; E493-L555 HydrophobicContact CB-CG 4.39Å |
| 494 | M | 90.4 | Very high | 83.1 | Confident | 19 Ų | 19 | 40.2 Ų | 40.2 | 9% | 0.094 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.4 | -43.2 | 172.3 | -77.5 | -61.2 | -65.2 | 0 | 0 | 111.7 | F382 N490 Y496 L497 W498 L555 | F382-M494 HydrophobicContact CD2-CE 4Å; F382-M494 HydrophobicContact CE2-CE 3.96Å; N490-M494 WeakPolarHBondContact O-CB 3.17Å; N490-M494 WeakPolarHBondContact O-CG 3.31Å; N490-M494 PolarHBondContact O-N 3.3Å; M494-Y496 VanDerWaalsContact C-N 3.32Å; M494-Y496 PolarHBondContact O-N 3.47Å; M494-L497 PolarHBondContact O-N 2.91Å; M494-W498 WeakPolarHBondContact O-CB 3.48Å; M494-W498 PolarHBondContact O-N 2.96Å; M494-L555 HydrophobicContact CB-CD2 4.42Å; M494-L555 HydrophobicContact CG-CD2 3.68Å; M494-L555 HydrophobicContact CG-CG 4.47Å; M494-L555 HydrophobicContact SD-CD2 3.55Å; M494-L555 VanDerWaalsContact SD-CD2 3.55Å; M494-L555 HydrophobicContact SD-CG 4.24Å |
| 495 | A | 91.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.1 | -38.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V439 L442 Y443 I491 M492 F499 | V439-A495 HydrophobicContact CG1-CB 4Å; V439-A495 HydrophobicContact CG2-CB 4.42Å; L442-A495 HydrophobicContact CB-CB 3.92Å; L442-A495 HydrophobicContact CD1-CB 3.88Å; Y443-A495 HydrophobicContact CD2-CB 4.21Å; Y443-A495 HydrophobicContact CE2-CB 3.8Å; I491-A495 WeakPolarHBondContact O-CB 3.26Å; I491-A495 PolarHBondContact O-N 3.02Å; M492-A495 PolarHBondContact O-N 3.48Å; A495-F499 WeakPolarHBondContact O-CB 3.5Å; A495-F499 PolarHBondContact O-N 2.85Å |
| 496 | Y | 94.4 | Very high | 86.3 | Confident | 1 Ų | 1 | 32 Ų | 32 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62 | -48.7 | 171.7 | -66.5 | -33.7 | 0 | 0 | 0 | 112.3 | L442 L475 I476 T479 M492 E493 M494 W498 F499 L500 | L442-Y496 HydrophobicContact CD1-CD1 3.78Å; L442-Y496 HydrophobicContact CD1-CE1 3.66Å; L442-Y496 HydrophobicContact CD2-CD1 4.41Å; L442-Y496 HydrophobicContact CD2-CE1 4.38Å; L475-Y496 HydrophobicContact CD2-CE1 4.06Å; L475-Y496 HydrophobicContact CG-CE1 4.32Å; L475-Y496 WeakPolarHBondContact CG-OH 3.31Å; I476-Y496 HydrophobicContact CD1-CD1 3.9Å; I476-Y496 HydrophobicContact CD1-CE1 4.48Å; I476-Y496 HydrophobicContact CD1-CG 4.16Å; I476-Y496 HydrophobicContact CG1-CD1 3.46Å; I476-Y496 VanDerWaalsContact CG1-CD1 3.46Å; I476-Y496 HydrophobicContact CG1-CD2 4.24Å; I476-Y496 HydrophobicContact CG1-CE1 3.61Å; I476-Y496 HydrophobicContact CG1-CE2 4.38Å; I476-Y496 HydrophobicContact CG1-CG 3.79Å; T479-Y496 WeakPolarHBondContact CG2-OH 3.38Å; T479-Y496 PolarHBondContact OG1-OH 2.93Å; T479-Y496 VanDerWaalsContact OG1-OH 3.14Å; M492-Y496 HydrophobicContact CE-CE1 3.62Å; M492-Y496 HydrophobicContact CE-CE2 4.38Å; M492-Y496 VanDerWaalsContact CE-CZ 3.46Å; M492-Y496 WeakPolarHBondContact CE-OH 3.5Å; M492-Y496 HydrophobicContact CG-CE1 4.5Å; M492-Y496 HydrophobicContact CG-CE2 3.87Å; M492-Y496 WeakPolarHBondContact O-CD2 3.48Å; M492-Y496 PolarHBondContact O-N 3.42Å; E493-Y496 PolarHBondContact O-N 3.35Å; M494-Y496 VanDerWaalsContact C-N 3.32Å; M494-Y496 PolarHBondContact O-N 3.47Å; Y496-W498 VanDerWaalsContact C-N 3.3Å; Y496-W498 PolarHBondContact O-N 2.95Å; Y496-F499 PolarHBondContact O-N 3.21Å; Y496-L500 WeakPolarHBondContact O-CB 3.18Å; Y496-L500 WeakPolarHBondContact O-CG 3.31Å; Y496-L500 PolarHBondContact O-N 3.49Å |
| 497 | L | 92.6 | Very high | 87.5 | Confident | 6 Ų | 6 | 29.9 Ų | 29.9 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.5 | -41.6 | 179.2 | -73.6 | 176.3 | 0 | 0 | 0 | 111.8 | E493 M494 L500 H501 L555 H558 S559 L562 | E493-L497 WeakPolarHBondContact O-CG 3.43Å; E493-L497 PolarHBondContact O-N 3.27Å; M494-L497 PolarHBondContact O-N 2.91Å; L497-L500 PolarHBondContact O-N 2.98Å; L497-H501 WeakPolarHBondContact O-CB 3.13Å; L497-H501 PolarHBondContact O-N 3.45Å; L497-L555 HydrophobicContact CD1-CD2 3.8Å; L497-L555 WeakPolarHBondContact CD1-O 3.33Å; L497-H558 HydrophobicContact CD1-CB 3.88Å; L497-S559 WeakPolarHBondContact CD1-OG 3.49Å; L497-L562 HydrophobicContact CD2-CD2 4.22Å |
| 498 | W | 91 | Very high | 88.1 | Confident | 11 Ų | 11 | 23.4 Ų | 23.4 | 4% | 0.042 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.5 | -47.2 | 176.7 | -176.8 | 96.7 | 0 | 0 | 0 | 111.6 | F382 W386 M389 Y443 G446 S447 M494 Y496 L500 H501 Q502 | F382-W498 AromaticContact CE2-CD1 3.93Å; F382-W498 AromaticContact CZ-CD1 3.89Å; W386-W498 AromaticContact CE3-CD1 3.8Å; W386-W498 AromaticContact CE3-NE1 3.38Å; W386-W498 AromaticContact CZ3-CD1 3.57Å; W386-W498 AromaticContact CZ3-NE1 3.29Å; W386-W498 VanDerWaalsContact CZ3-NE1 3.29Å; M389-W498 HydrophobicContact CB-CH2 4.42Å; M389-W498 HydrophobicContact CB-CZ2 3.97Å; M389-W498 HydrophobicContact CG-CH2 4.49Å; M389-W498 HydrophobicContact CG-CZ2 4.31Å; Y443-W498 VanDerWaalsContact CA-CZ3 3.42Å; Y443-W498 HydrophobicContact CD1-CB 4.11Å; Y443-W498 AromaticContact CD1-CD2 3.51Å; Y443-W498 HydrophobicContact CD1-CD2 3.51Å; Y443-W498 AromaticContact CD1-CE3 3.58Å; Y443-W498 HydrophobicContact CD1-CE3 3.58Å; Y443-W498 AromaticContact CD1-CG 3.72Å; Y443-W498 HydrophobicContact CD1-CG 3.72Å; Y443-W498 HydrophobicContact CD1-CZ3 4.11Å; Y443-W498 HydrophobicContact CE1-CB 3.57Å; Y443-W498 AromaticContact CE1-CD1 3.98Å; Y443-W498 AromaticContact CE1-CD2 3.86Å; Y443-W498 HydrophobicContact CE1-CD2 3.86Å; Y443-W498 HydrophobicContact CE1-CE3 4.25Å; Y443-W498 AromaticContact CE1-CG 3.52Å; Y443-W498 HydrophobicContact CE1-CG 3.52Å; Y443-W498 HydrophobicContact CG-CE3 4.46Å; Y443-W498 WeakPolarHBondContact O-CH2 3.43Å; Y443-W498 WeakPolarHBondContact O-CZ3 3.24Å; G446-W498 VanDerWaalsContact C-CZ3 3.42Å; S447-W498 VanDerWaalsContact OG-CH2 3.25Å; S447-W498 WeakPolarHBondContact OG-CH2 3.46Å; M494-W498 WeakPolarHBondContact O-CB 3.48Å; M494-W498 PolarHBondContact O-N 2.96Å; Y496-W498 VanDerWaalsContact C-N 3.3Å; Y496-W498 PolarHBondContact O-N 2.95Å; W498-L500 VanDerWaalsContact C-N 3.33Å; W498-L500 PolarHBondContact O-N 3.36Å; W498-H501 WeakPolarHBondContact O-CB 3.18Å; W498-H501 PolarHBondContact O-N 3Å; W498-H501 VanDerWaalsContact O-N 3.15Å; W498-Q502 HydrophobicContact CD2-CG 4.04Å; W498-Q502 HydrophobicContact CE3-CG 4.09Å; W498-Q502 HydrophobicContact CH2-CG 3.82Å; W498-Q502 HydrophobicContact CZ2-CG 3.72Å; W498-Q502 HydrophobicContact CZ3-CG 3.98Å; W498-Q502 WeakPolarHBondContact O-CG 3.34Å; W498-Q502 PolarHBondContact O-N 3.06Å |
| 499 | F | 95 | Very high | 88 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.6 | -46.8 | 174.9 | 164.2 | -90.8 | 0 | 0 | 0 | 111.2 | I445 I449 I469 V472 L473 I476 A495 Y496 H501 Q502 F503 | I445-F499 HydrophobicContact CG2-CD2 4.05Å; I445-F499 HydrophobicContact CG2-CE2 3.83Å; I449-F499 HydrophobicContact CD1-CD2 4.19Å; I449-F499 HydrophobicContact CD1-CE2 3.45Å; I449-F499 VanDerWaalsContact CD1-CE2 3.45Å; I449-F499 HydrophobicContact CD1-CZ 4.25Å; I469-F499 HydrophobicContact CB-CZ 4.29Å; I469-F499 HydrophobicContact CG1-CE2 4.45Å; I469-F499 HydrophobicContact CG1-CZ 4.12Å; I469-F499 HydrophobicContact CG2-CZ 4.17Å; V472-F499 HydrophobicContact CB-CD1 4.33Å; V472-F499 HydrophobicContact CB-CD2 4.34Å; V472-F499 HydrophobicContact CB-CE1 3.89Å; V472-F499 HydrophobicContact CB-CE2 3.86Å; V472-F499 HydrophobicContact CB-CZ 3.65Å; V472-F499 HydrophobicContact CG1-CD1 3.44Å; V472-F499 VanDerWaalsContact CG1-CD1 3.44Å; V472-F499 HydrophobicContact CG1-CD2 3.93Å; V472-F499 HydrophobicContact CG1-CE1 3.45Å; V472-F499 VanDerWaalsContact CG1-CE1 3.45Å; V472-F499 HydrophobicContact CG1-CE2 3.91Å; V472-F499 HydrophobicContact CG1-CG 3.71Å; V472-F499 HydrophobicContact CG1-CZ 3.7Å; V472-F499 HydrophobicContact CG2-CD2 4.28Å; V472-F499 HydrophobicContact CG2-CE2 3.92Å; V472-F499 HydrophobicContact CG2-CZ 4.23Å; L473-F499 HydrophobicContact CD2-CE1 4.28Å; I476-F499 HydrophobicContact CD1-CD1 4.44Å; A495-F499 WeakPolarHBondContact O-CB 3.5Å; A495-F499 PolarHBondContact O-N 2.85Å; Y496-F499 PolarHBondContact O-N 3.21Å; F499-H501 VanDerWaalsContact C-N 3.27Å; F499-H501 PolarHBondContact O-N 3.36Å; F499-Q502 PolarHBondContact O-N 3.06Å; F499-F503 HydrophobicContact CE1-CB 4.39Å; F499-F503 HydrophobicContact CZ-CB 4.42Å; F499-F503 WeakPolarHBondContact O-CB 3.3Å; F499-F503 PolarHBondContact O-N 2.87Å |
| 500 | L | 93.9 | Very high | 87 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.6 | -35 | 179.1 | -70.6 | 175.8 | 0 | 0 | 0 | 111.8 | L473 I476 Y496 L497 W498 R504 V538 K541 L562 | L473-L500 HydrophobicContact CD2-CD2 3.89Å; I476-L500 HydrophobicContact CD1-CD1 4.42Å; I476-L500 HydrophobicContact CD1-CD2 4.2Å; I476-L500 HydrophobicContact CD1-CG 4.28Å; Y496-L500 WeakPolarHBondContact O-CB 3.18Å; Y496-L500 WeakPolarHBondContact O-CG 3.31Å; Y496-L500 PolarHBondContact O-N 3.49Å; L497-L500 PolarHBondContact O-N 2.98Å; W498-L500 VanDerWaalsContact C-N 3.33Å; W498-L500 PolarHBondContact O-N 3.36Å; L500-R504 WeakPolarHBondContact O-CB 3.38Å; L500-R504 PolarHBondContact O-N 3.02Å; L500-V538 HydrophobicContact CB-CG1 4.39Å; L500-V538 HydrophobicContact CD1-CG1 4.31Å; L500-V538 HydrophobicContact CD2-CB 4.49Å; L500-V538 HydrophobicContact CD2-CG1 4.2Å; L500-V538 HydrophobicContact CD2-CG2 3.99Å; L500-K541 HydrophobicContact CD1-CB 4.08Å; L500-K541 HydrophobicContact CD1-CG 3.78Å; L500-L562 HydrophobicContact CB-CD2 3.66Å; L500-L562 HydrophobicContact CD1-CD2 4.25Å |
| 501 | H | 91.4 | Very high | 85.6 | Confident | 64 Ų | 64 | 30 Ų | 30 | 30% | 0.296 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -64.3 | -46.6 | 173.7 | -173.9 | -91.6 | 0 | 0 | 0 | 111.6 | L497 W498 F499 R504 K505 L562 | L497-H501 WeakPolarHBondContact O-CB 3.13Å; L497-H501 PolarHBondContact O-N 3.45Å; W498-H501 WeakPolarHBondContact O-CB 3.18Å; W498-H501 PolarHBondContact O-N 3Å; W498-H501 VanDerWaalsContact O-N 3.15Å; F499-H501 VanDerWaalsContact C-N 3.27Å; F499-H501 PolarHBondContact O-N 3.36Å; H501-R504 PolarHBondContact O-N 2.83Å; H501-K505 WeakPolarHBondContact O-CB 3.29Å; H501-K505 PolarHBondContact O-N 3.48Å; H501-L562 HydrophobicContact CB-CD1 4.37Å |
| 502 | Q | 90.4 | Very high | 83.9 | Confident | 5 Ų | 5 | 29.9 Ų | 29.9 | 2% | 0.023 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.4 | -40.9 | 176.9 | -61.7 | -54.1 | -8.9 | 0 | 0 | 112.6 | G446 W498 F499 K505 T506 | G446-Q502 VanDerWaalsContact O-CB 3.24Å; G446-Q502 WeakPolarHBondContact O-CB 3.24Å; G446-Q502 WeakPolarHBondContact O-CG 3.29Å; W498-Q502 HydrophobicContact CD2-CG 4.04Å; W498-Q502 HydrophobicContact CE3-CG 4.09Å; W498-Q502 HydrophobicContact CH2-CG 3.82Å; W498-Q502 HydrophobicContact CZ2-CG 3.72Å; W498-Q502 HydrophobicContact CZ3-CG 3.98Å; W498-Q502 WeakPolarHBondContact O-CG 3.34Å; W498-Q502 PolarHBondContact O-N 3.06Å; F499-Q502 PolarHBondContact O-N 3.06Å; Q502-K505 PolarHBondContact O-N 2.86Å; Q502-T506 WeakPolarHBondContact O-CB 3.38Å; Q502-T506 PolarHBondContact O-N 3.33Å; Q502-T506 PolarHBondContact O-OG1 3.46Å |
| 503 | F | 90.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.3 | -47.8 | 173.5 | 172.1 | -133.3 | 0 | 0 | 0 | 111 | I469 L473 F499 T506 Y507 L508 I522 V534 V538 | I469-F503 HydrophobicContact CD1-CD2 3.65Å; I469-F503 HydrophobicContact CD1-CE2 3.79Å; I469-F503 HydrophobicContact CG1-CD2 4.11Å; I469-F503 HydrophobicContact CG1-CE2 4.44Å; I469-F503 HydrophobicContact CG2-CD2 4.09Å; I469-F503 HydrophobicContact CG2-CE1 4.33Å; I469-F503 HydrophobicContact CG2-CE2 3.91Å; I469-F503 HydrophobicContact CG2-CG 4.41Å; I469-F503 HydrophobicContact CG2-CZ 4.03Å; L473-F503 HydrophobicContact CD1-CE1 4.45Å; F499-F503 HydrophobicContact CE1-CB 4.39Å; F499-F503 HydrophobicContact CZ-CB 4.42Å; F499-F503 WeakPolarHBondContact O-CB 3.3Å; F499-F503 PolarHBondContact O-N 2.87Å; F503-T506 PolarHBondContact O-N 3.28Å; F503-Y507 HydrophobicContact CD2-CD2 4.15Å; F503-Y507 HydrophobicContact CE2-CD2 4.38Å; F503-Y507 HydrophobicContact CE2-CG 4.41Å; F503-Y507 PolarHBondContact O-N 3Å; F503-L508 HydrophobicContact CD1-CD1 3.97Å; F503-L508 HydrophobicContact CE1-CD1 3.67Å; F503-L508 HydrophobicContact CE1-CD2 4.38Å; F503-L508 HydrophobicContact CE1-CG 4.13Å; F503-L508 HydrophobicContact CE2-CG 4.41Å; F503-L508 HydrophobicContact CZ-CD1 4.09Å; F503-L508 HydrophobicContact CZ-CD2 4.02Å; F503-L508 HydrophobicContact CZ-CG 4.03Å; F503-I522 HydrophobicContact CE2-CD1 3.98Å; F503-I522 HydrophobicContact CZ-CD1 3.87Å; F503-V534 HydrophobicContact CE1-CG1 3.85Å; F503-V534 HydrophobicContact CZ-CG1 3.66Å; F503-V538 HydrophobicContact CD1-CG2 4.28Å; F503-V538 HydrophobicContact CE1-CG2 4.12Å |
| 504 | R | 87.7 | Confident | 80.2 | Confident | 49 Ų | 49 | 37.9 Ų | 37.9 | 19% | 0.185 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.5 | -44.8 | 178.1 | 176.3 | -94.2 | 170.1 | -168.8 | -8.6 | 112.3 | L500 H501 T506 L508 S509 L562 G565 M566 | L500-R504 WeakPolarHBondContact O-CB 3.38Å; L500-R504 PolarHBondContact O-N 3.02Å; H501-R504 PolarHBondContact O-N 2.83Å; R504-T506 VanDerWaalsContact C-N 3.28Å; R504-T506 PolarHBondContact O-N 3.03Å; R504-L508 HydrophobicContact CB-CB 4.41Å; R504-L508 HydrophobicContact CB-CD1 4.1Å; R504-L508 HydrophobicContact CG-CB 4.23Å; R504-L508 HydrophobicContact CG-CD1 4.45Å; R504-L508 CarbonylContact O-C 3.51Å; R504-L508 PolarHBondContact O-N 3.22Å; R504-S509 PolarHBondContact O-N 3.34Å; R504-L562 HydrophobicContact CB-CD1 4.14Å; R504-L562 HydrophobicContact CG-CD1 4.4Å; R504-G565 PolarHBondContact NE-O 2.98Å; R504-G565 PolarHBondContact NH2-O 3.46Å; R504-M566 HydrophobicContact CG-CG 3.9Å |
| 505 | K | 85.8 | Confident | 79 | Confident | 107 Ų | 107 | 38.2 Ų | 38.2 | 47% | 0.465 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.5 | -42.6 | 179.1 | -177 | -176.8 | 174.5 | -171.2 | 0 | 111.1 | H501 Q502 S509 | H501-K505 WeakPolarHBondContact O-CB 3.29Å; H501-K505 PolarHBondContact O-N 3.48Å; Q502-K505 PolarHBondContact O-N 2.86Å; K505-S509 PolarHBondContact O-OG 2.84Å |
| 506 | T | 84.2 | Confident | 78 | Confident | 18 Ų | 18 | 41.8 Ų | 41.8 | 11% | 0.11 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -87.1 | -42.5 | -169.7 | -49.7 | 0 | 0 | 0 | 0 | 113.9 | I449 R452 Q502 F503 R504 | I449-T506 HydrophobicContact CG2-CG2 4.24Å; R452-T506 HydrophobicContact CB-CG2 3.82Å; R452-T506 HydrophobicContact CG-CG2 4.41Å; Q502-T506 WeakPolarHBondContact O-CB 3.38Å; Q502-T506 PolarHBondContact O-N 3.33Å; Q502-T506 PolarHBondContact O-OG1 3.46Å; F503-T506 PolarHBondContact O-N 3.28Å; R504-T506 VanDerWaalsContact C-N 3.28Å; R504-T506 PolarHBondContact O-N 3.03Å |
| 507 | Y | 84.2 | Confident | 77.2 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -120.1 | -16.9 | -169.7 | -73.5 | -71.2 | 0 | 0 | 0 | 115.1 | I449 R452 D462 D465 I469 F503 S515 V518 | I449-Y507 HydrophobicContact CG2-CD2 4.04Å; I449-Y507 HydrophobicContact CG2-CE2 3.9Å; R452-Y507 WeakPolarHBondContact CD-OH 3.44Å; D462-Y507 PolarHBondContact OD1-OH 3.36Å; D465-Y507 HydrophobicContact CB-CE2 3.98Å; D465-Y507 VanDerWaalsContact CB-OH 3.23Å; D465-Y507 WeakPolarHBondContact CB-OH 3.49Å; D465-Y507 VanDerWaalsContact CG-OH 3.28Å; D465-Y507 PolarHBondContact OD2-OH 3.21Å; I469-Y507 HydrophobicContact CD1-CD2 3.85Å; I469-Y507 HydrophobicContact CD1-CE2 3.95Å; F503-Y507 HydrophobicContact CD2-CD2 4.15Å; F503-Y507 HydrophobicContact CE2-CD2 4.38Å; F503-Y507 HydrophobicContact CE2-CG 4.41Å; F503-Y507 PolarHBondContact O-N 3Å; Y507-S515 WeakPolarHBondContact O-CB 3.43Å; Y507-V518 HydrophobicContact CD1-CB 4.14Å; Y507-V518 HydrophobicContact CD1-CG1 4.25Å; Y507-V518 HydrophobicContact CD1-CG2 4.2Å; Y507-V518 HydrophobicContact CE1-CB 4.09Å; Y507-V518 HydrophobicContact CE1-CG1 4.24Å; Y507-V518 HydrophobicContact CE1-CG2 3.65Å; Y507-V518 HydrophobicContact CG-CG1 4.48Å |
| 508 | L | 78.2 | Confident | 76.7 | Confident | 38 Ų | 38 | 46.7 Ų | 46.7 | 20% | 0.199 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -107.1 | 5.2 | -179.8 | -55.4 | 171.9 | 0 | 0 | 0 | 113.4 | F503 R504 V534 L535 V538 | F503-L508 HydrophobicContact CD1-CD1 3.97Å; F503-L508 HydrophobicContact CE1-CD1 3.67Å; F503-L508 HydrophobicContact CE1-CD2 4.38Å; F503-L508 HydrophobicContact CE1-CG 4.13Å; F503-L508 HydrophobicContact CE2-CG 4.41Å; F503-L508 HydrophobicContact CZ-CD1 4.09Å; F503-L508 HydrophobicContact CZ-CD2 4.02Å; F503-L508 HydrophobicContact CZ-CG 4.03Å; R504-L508 HydrophobicContact CB-CB 4.41Å; R504-L508 HydrophobicContact CB-CD1 4.1Å; R504-L508 HydrophobicContact CG-CB 4.23Å; R504-L508 HydrophobicContact CG-CD1 4.45Å; R504-L508 CarbonylContact O-C 3.51Å; R504-L508 PolarHBondContact O-N 3.22Å; L508-V534 HydrophobicContact CD2-CG1 4.42Å; L508-L535 HydrophobicContact CB-CD2 4.21Å; L508-L535 HydrophobicContact CD1-CD2 3.76Å; L508-L535 HydrophobicContact CD2-CD2 3.91Å; L508-L535 HydrophobicContact CG-CD2 4.18Å; L508-V538 HydrophobicContact CD1-CG2 4.18Å |
| 509 | S | 71.3 | Confident | 76.2 | Confident | 37 Ų | 37 | 47.2 Ų | 47.2 | 26% | 0.259 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -82.1 | 145.6 | 177.4 | 59.3 | 0 | 0 | 0 | 0 | 111.2 | R504 K505 N511 S512 | R504-S509 PolarHBondContact O-N 3.34Å; K505-S509 PolarHBondContact O-OG 2.84Å; S509-N511 PolarHBondContact O-N 3.39Å; S509-S512 PolarHBondContact O-N 2.97Å; S509-S512 PolarHBondContact O-OG 3.14Å; S509-S512 VanDerWaalsContact O-OG 3.05Å |
| 510 | D | 60.9 | Low | 75.6 | Confident | 96 Ų | 96 | 50.9 Ų | 50.9 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -18.4 | -175.2 | -85.7 | -30.6 | 0 | 0 | 0 | 114 | ||
| 511 | N | 54.7 | Low | 75.1 | Confident | 153 Ų | 153 | 53.3 Ų | 53.3 | 82% | 0.818 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -7.2 | -175.1 | -74 | -9.2 | 0 | 0 | 0 | 115 | S509 A513 | S509-N511 PolarHBondContact O-N 3.39Å; N511-A513 PolarHBondContact O-N 3.01Å |
| 512 | S | 52.7 | Low | 74.8 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 8% | 0.084 | 28% | 0.279 | C | S | . | . | trans | -93.9 | 87.9 | -177.5 | 49.7 | 0 | 0 | 0 | 0 | 112.6 | S509 N514 S515 | S509-S512 PolarHBondContact O-N 2.97Å; S509-S512 PolarHBondContact O-OG 3.14Å; S509-S512 VanDerWaalsContact O-OG 3.05Å; S512-N514 PolarHBondContact O-N 3.24Å; S512-N514 VanDerWaalsContact O-N 3.11Å; S512-S515 WeakPolarHBondContact O-CB 3.49Å; S512-S515 PolarHBondContact O-N 3.24Å; S512-S515 VanDerWaalsContact O-N 3.12Å; S512-S515 PolarHBondContact O-OG 2.72Å; S512-S515 WeakPolarHBondContact OG-CB 3.39Å | ||
| 513 | A | 51.4 | Low | 74.5 | Confident | 88 Ų | 88 | 50.3 Ų | 50.3 | 73% | 0.727 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -22.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N511 | N511-A513 PolarHBondContact O-N 3.01Š|
| 514 | N | 52.5 | Low | 74.3 | Confident | 90 Ų | 90 | 58.4 Ų | 58.4 | 48% | 0.481 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 13 | -179.5 | -61.1 | -3.1 | 0 | 0 | 0 | 113.8 | S512 | S512-N514 PolarHBondContact O-N 3.24Å; S512-N514 VanDerWaalsContact O-N 3.11Å |
| 515 | S | 64.1 | Low | 74.1 | Confident | 26 Ų | 26 | 59 Ų | 59 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | trans | -79.9 | -17 | -178.9 | 52.9 | 0 | 0 | 0 | 0 | 114.3 | Y507 S512 C519 | Y507-S515 WeakPolarHBondContact O-CB 3.43Å; S512-S515 WeakPolarHBondContact O-CB 3.49Å; S512-S515 PolarHBondContact O-N 3.24Å; S512-S515 VanDerWaalsContact O-N 3.12Å; S512-S515 PolarHBondContact O-OG 2.72Å; S512-S515 WeakPolarHBondContact OG-CB 3.39Å; S515-C519 WeakPolarHBondContact O-CB 3.32Å; S515-C519 PolarHBondContact O-N 3.26Å; S515-C519 VanDerWaalsContact O-N 3.08Å; S515-C519 PolarHBondContact O-SG 2.91Å | ||
| 516 | T | 70.2 | Confident | 74 | Confident | 75 Ų | 75 | 54.6 Ų | 54.6 | 46% | 0.46 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.7 | -46.4 | -170.1 | 47.1 | 0 | 0 | 0 | 0 | 112.5 | V518 C519 E520 | T516-V518 PolarHBondContact O-N 3.35Å; T516-C519 PolarHBondContact O-N 3.4Å; T516-E520 WeakPolarHBondContact O-CB 3.33Å; T516-E520 WeakPolarHBondContact O-CG 3.27Å; T516-E520 PolarHBondContact O-N 2.98Å |
| 517 | D | 77.8 | Confident | 73.9 | Confident | 108 Ų | 108 | 57 Ų | 57 | 58% | 0.578 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.8 | -42.3 | -174.4 | -62.2 | -2.8 | 0 | 0 | 0 | 111.8 | E520 Q521 | D517-E520 PolarHBondContact O-N 3.45Å; D517-Q521 WeakPolarHBondContact O-CB 3.18Å; D517-Q521 PolarHBondContact O-N 3.01Å |
| 518 | V | 82.5 | Confident | 73.8 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.3 | -43.7 | 177.3 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | D462 I469 Y507 T516 E520 Q521 I522 | D462-V518 HydrophobicContact CB-CG2 3.79Å; D462-V518 WeakPolarHBondContact O-CG2 3.31Å; I469-V518 HydrophobicContact CD1-CG1 4.05Å; Y507-V518 HydrophobicContact CD1-CB 4.14Å; Y507-V518 HydrophobicContact CD1-CG1 4.25Å; Y507-V518 HydrophobicContact CD1-CG2 4.2Å; Y507-V518 HydrophobicContact CE1-CB 4.09Å; Y507-V518 HydrophobicContact CE1-CG1 4.24Å; Y507-V518 HydrophobicContact CE1-CG2 3.65Å; Y507-V518 HydrophobicContact CG-CG1 4.48Å; T516-V518 PolarHBondContact O-N 3.35Å; V518-E520 VanDerWaalsContact C-N 3.33Å; V518-E520 PolarHBondContact O-N 3.44Å; V518-Q521 WeakPolarHBondContact O-CB 3.28Å; V518-Q521 PolarHBondContact O-N 2.88Å; V518-I522 HydrophobicContact CG1-CD1 3.89Å; V518-I522 WeakPolarHBondContact O-CD1 3.06Å; V518-I522 WeakPolarHBondContact O-CG1 3.39Å; V518-I522 PolarHBondContact O-N 3.02Å |
| 519 | C | 80.3 | Confident | 73.7 | Confident | 23 Ų | 23 | 61.5 Ų | 61.5 | 16% | 0.155 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.1 | -36.2 | 176.8 | -68.6 | 0 | 0 | 0 | 0 | 112.4 | S515 T516 I522 S523 | S515-C519 WeakPolarHBondContact O-CB 3.32Å; S515-C519 PolarHBondContact O-N 3.26Å; S515-C519 VanDerWaalsContact O-N 3.08Å; S515-C519 PolarHBondContact O-SG 2.91Å; T516-C519 PolarHBondContact O-N 3.4Å; C519-I522 PolarHBondContact O-N 3.33Å; C519-S523 WeakPolarHBondContact O-CB 3.32Å; C519-S523 PolarHBondContact O-N 3.46Å; C519-S523 PolarHBondContact O-OG 2.92Å |
| 520 | E | 81.7 | Confident | 73.4 | Confident | 77 Ų | 77 | 67.3 Ų | 67.3 | 36% | 0.36 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 172.6 | -78.5 | -176.2 | -161.6 | 0 | 0 | 111.5 | T516 D517 V518 I522 S523 R524 | T516-E520 WeakPolarHBondContact O-CB 3.33Å; T516-E520 WeakPolarHBondContact O-CG 3.27Å; T516-E520 PolarHBondContact O-N 2.98Å; D517-E520 PolarHBondContact O-N 3.45Å; V518-E520 VanDerWaalsContact C-N 3.33Å; V518-E520 PolarHBondContact O-N 3.44Å; E520-I522 VanDerWaalsContact C-N 3.31Å; E520-I522 PolarHBondContact O-N 2.85Å; E520-S523 PolarHBondContact O-N 3.35Å; E520-R524 WeakPolarHBondContact O-CB 3.21Å; E520-R524 VanDerWaalsContact O-CG 3.31Å; E520-R524 WeakPolarHBondContact O-CG 3.28Å; E520-R524 PolarHBondContact O-N 3.13Å; E520-R524 IonicContact OE2-CZ 3.7Å; E520-R524 IonicContact OE2-NH2 3.72Å; E520-R524 PolarHBondContact OE2-NH2 3Å |
| 521 | Q | 84.1 | Confident | 73.7 | Confident | 51 Ų | 51 | 65.4 Ų | 65.4 | 24% | 0.238 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.4 | -44.2 | 174.8 | -178.2 | -178.9 | -5.3 | 0 | 0 | 111.3 | S463 D517 V518 R524 S525 | S463-Q521 PolarHBondContact O-NE2 2.7Å; S463-Q521 PolarHBondContact O-OE1 3.35Å; D517-Q521 WeakPolarHBondContact O-CB 3.18Å; D517-Q521 PolarHBondContact O-N 3.01Å; V518-Q521 WeakPolarHBondContact O-CB 3.28Å; V518-Q521 PolarHBondContact O-N 2.88Å; Q521-R524 PolarHBondContact O-N 2.63Å; Q521-S525 WeakPolarHBondContact O-CB 3.32Å; Q521-S525 PolarHBondContact O-N 3.46Å |
| 522 | I | 84.5 | Confident | 74.7 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 176 | -65.5 | 160.7 | 0 | 0 | 0 | 111.1 | I469 C470 L473 F503 V518 C519 E520 R524 S525 L526 V534 | I469-I522 HydrophobicContact CB-CD1 4.1Å; I469-I522 HydrophobicContact CB-CG1 4.44Å; I469-I522 HydrophobicContact CD1-CD1 4.39Å; I469-I522 HydrophobicContact CG2-CD1 3.45Å; I469-I522 VanDerWaalsContact CG2-CD1 3.45Å; I469-I522 HydrophobicContact CG2-CG1 4Å; C470-I522 VanDerWaalsContact SG-CA 3.57Å; L473-I522 HydrophobicContact CD1-CG2 3.83Å; F503-I522 HydrophobicContact CE2-CD1 3.98Å; F503-I522 HydrophobicContact CZ-CD1 3.87Å; V518-I522 HydrophobicContact CG1-CD1 3.89Å; V518-I522 WeakPolarHBondContact O-CD1 3.06Å; V518-I522 WeakPolarHBondContact O-CG1 3.39Å; V518-I522 PolarHBondContact O-N 3.02Å; C519-I522 PolarHBondContact O-N 3.33Å; E520-I522 VanDerWaalsContact C-N 3.31Å; E520-I522 PolarHBondContact O-N 2.85Å; I522-R524 VanDerWaalsContact C-N 3.34Å; I522-R524 PolarHBondContact O-N 3.29Å; I522-S525 PolarHBondContact O-N 3.14Å; I522-L526 HydrophobicContact CG2-CD1 3.64Å; I522-L526 HydrophobicContact CG2-CG 4.25Å; I522-L526 WeakPolarHBondContact O-CB 3.41Å; I522-L526 WeakPolarHBondContact O-CG 3.16Å; I522-L526 PolarHBondContact O-N 3.1Å; I522-V534 HydrophobicContact CB-CG2 4.29Å; I522-V534 HydrophobicContact CG2-CG1 4.15Å; I522-V534 HydrophobicContact CG2-CG2 3.91Å |
| 523 | S | 85.4 | Confident | 75.9 | Confident | 7 Ų | 7 | 61.9 Ų | 61.9 | 5% | 0.049 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 179.4 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | C519 E520 G527 L528 | C519-S523 WeakPolarHBondContact O-CB 3.32Å; C519-S523 PolarHBondContact O-N 3.46Å; C519-S523 PolarHBondContact O-OG 2.92Å; E520-S523 PolarHBondContact O-N 3.35Å; S523-G527 PolarHBondContact O-N 3.07Å; S523-G527 VanDerWaalsContact O-N 3.08Å; S523-L528 PolarHBondContact O-N 2.8Å |
| 524 | R | 85.9 | Confident | 77.5 | Confident | 169 Ų | 169 | 57.9 Ų | 57.9 | 64% | 0.638 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.5 | -46.1 | 175.2 | -70.8 | 176 | -168.5 | 142.3 | 13.7 | 112.3 | E520 Q521 I522 | E520-R524 WeakPolarHBondContact O-CB 3.21Å; E520-R524 VanDerWaalsContact O-CG 3.31Å; E520-R524 WeakPolarHBondContact O-CG 3.28Å; E520-R524 PolarHBondContact O-N 3.13Å; E520-R524 IonicContact OE2-CZ 3.7Å; E520-R524 IonicContact OE2-NH2 3.72Å; E520-R524 PolarHBondContact OE2-NH2 3Å; Q521-R524 PolarHBondContact O-N 2.63Å; I522-R524 VanDerWaalsContact C-N 3.34Å; I522-R524 PolarHBondContact O-N 3.29Å |
| 525 | S | 84.2 | Confident | 79.1 | Confident | 61 Ų | 61 | 54.8 Ų | 54.8 | 43% | 0.427 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70 | -36 | -176.9 | -173.3 | 0 | 0 | 0 | 0 | 113.3 | C470 Q521 I522 | C470-S525 WeakPolarHBondContact SG-CB 3.32Å; Q521-S525 WeakPolarHBondContact O-CB 3.32Å; Q521-S525 PolarHBondContact O-N 3.46Å; I522-S525 PolarHBondContact O-N 3.14Å |
| 526 | L | 84 | Confident | 80.2 | Confident | 16 Ų | 16 | 54.6 Ų | 54.6 | 8% | 0.084 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -90.2 | -4.3 | -179.5 | -66.6 | -178.2 | 0 | 0 | 0 | 114 | L473 Q474 R477 I522 L528 | L473-L526 HydrophobicContact CB-CD1 3.9Å; L473-L526 HydrophobicContact CD1-CD1 3.88Å; Q474-L526 HydrophobicContact CB-CD2 4.46Å; Q474-L526 HydrophobicContact CG-CD2 3.36Å; R477-L526 PolarHBondContact NH1-O 3.43Å; R477-L526 VanDerWaalsContact NH1-O 3.13Å; I522-L526 HydrophobicContact CG2-CD1 3.64Å; I522-L526 HydrophobicContact CG2-CG 4.25Å; I522-L526 WeakPolarHBondContact O-CB 3.41Å; I522-L526 WeakPolarHBondContact O-CG 3.16Å; I522-L526 PolarHBondContact O-N 3.1Å; L526-L528 VanDerWaalsContact C-N 3.33Å; L526-L528 HydrophobicContact CB-CD1 3.85Å; L526-L528 HydrophobicContact CB-CG 3.73Å; L526-L528 HydrophobicContact CD1-CD1 3.89Å |
| 527 | G | 81.6 | Confident | 81 | Confident | 68 Ų | 68 | 51.6 Ų | 51.6 | 70% | 0.701 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 34.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S523 | S523-G527 PolarHBondContact O-N 3.07Å; S523-G527 VanDerWaalsContact O-N 3.08Å |
| 528 | L | 81.9 | Confident | 81.6 | Confident | 34 Ų | 34 | 46.5 Ų | 46.5 | 18% | 0.178 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -90.6 | 147.1 | -179.5 | -58.3 | 171.4 | 0 | 0 | 0 | 110.6 | S523 L526 S533 V534 V537 | S523-L528 PolarHBondContact O-N 2.8Å; L526-L528 VanDerWaalsContact C-N 3.33Å; L526-L528 HydrophobicContact CB-CD1 3.85Å; L526-L528 HydrophobicContact CB-CG 3.73Å; L526-L528 HydrophobicContact CD1-CD1 3.89Å; L528-S533 WeakPolarHBondContact CB-OG 3.05Å; L528-V534 HydrophobicContact CD1-CG2 4.47Å; L528-V537 HydrophobicContact CD1-CG2 3.7Å; L528-V537 HydrophobicContact CD2-CG2 4.18Å |
| 529 | P | 76.3 | Confident | 82 | Confident | 99 Ų | 99 | 46.4 Ų | 46.4 | 64% | 0.643 | 27% | 0.27 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 143.1 | 172.2 | 24.3 | -31.1 | 0 | 0 | 0 | 110.8 | S533 | P529-S533 WeakPolarHBondContact O-CB 3.04Å; P529-S533 PolarHBondContact O-OG 2.84Å |
| 530 | E | 64.5 | Low | 82.4 | Confident | 160 Ų | 160 | 49 Ų | 49 | 75% | 0.748 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -58.3 | 148.9 | 178.8 | -67 | -179.1 | 171.7 | 0 | 0 | 112.1 | ||
| 531 | G | 68.4 | Low | 82.9 | Confident | 55 Ų | 55 | 45.9 Ų | 45.9 | 57% | 0.567 | 27% | 0.268 | S | S | * | . | S | Bend | trans | 110.6 | -134.2 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | S533 | G531-S533 PolarHBondContact O-N 3.01Š|
| 532 | N | 73.9 | Confident | 83.2 | Confident | 80 Ų | 80 | 43.4 Ų | 43.4 | 43% | 0.428 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 14.1 | -173.5 | -66.1 | -43.9 | 0 | 0 | 0 | 114.4 | V534 L535 T575 | N532-V534 VanDerWaalsContact C-N 3.26Å; N532-V534 PolarHBondContact O-N 3.35Å; N532-L535 HydrophobicContact CB-CD1 4.18Å; N532-L535 VanDerWaalsContact O-CB 3.32Å; N532-L535 WeakPolarHBondContact O-CB 3.11Å; N532-L535 PolarHBondContact O-N 2.91Å; N532-L535 VanDerWaalsContact O-N 3.09Å; N532-T575 HydrophobicContact CB-CG2 3.86Å; N532-T575 WeakPolarHBondContact ND2-CG2 3.33Å |
| 533 | S | 79.3 | Confident | 83.4 | Confident | 12 Ų | 12 | 44.7 Ų | 44.7 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.9 | -28.4 | -175.7 | 61.4 | 0 | 0 | 0 | 0 | 113.7 | L528 P529 G531 L535 S536 V537 | L528-S533 WeakPolarHBondContact CB-OG 3.05Å; P529-S533 WeakPolarHBondContact O-CB 3.04Å; P529-S533 PolarHBondContact O-OG 2.84Å; G531-S533 PolarHBondContact O-N 3.01Å; S533-L535 VanDerWaalsContact C-N 3.27Å; S533-L535 PolarHBondContact O-N 3.48Å; S533-S536 VanDerWaalsContact O-CB 3.23Å; S533-S536 WeakPolarHBondContact O-CB 3.46Å; S533-S536 PolarHBondContact O-N 3.47Å; S533-S536 VanDerWaalsContact O-N 3.08Å; S533-V537 PolarHBondContact O-N 2.92Å |
| 534 | V | 83.9 | Confident | 83.5 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 174.1 | -178 | 0 | 0 | 0 | 0 | 110.7 | F503 L508 I522 L528 N532 S536 V537 V538 | F503-V534 HydrophobicContact CE1-CG1 3.85Å; F503-V534 HydrophobicContact CZ-CG1 3.66Å; L508-V534 HydrophobicContact CD2-CG1 4.42Å; I522-V534 HydrophobicContact CB-CG2 4.29Å; I522-V534 HydrophobicContact CG2-CG1 4.15Å; I522-V534 HydrophobicContact CG2-CG2 3.91Å; L528-V534 HydrophobicContact CD1-CG2 4.47Å; N532-V534 VanDerWaalsContact C-N 3.26Å; N532-V534 PolarHBondContact O-N 3.35Å; V534-S536 VanDerWaalsContact C-N 3.27Å; V534-S536 PolarHBondContact O-N 3.22Å; V534-V537 PolarHBondContact O-N 3.42Å; V534-V538 PolarHBondContact O-N 3.42Å |
| 535 | L | 86 | Confident | 83.6 | Confident | 26 Ų | 26 | 38.8 Ų | 38.8 | 14% | 0.136 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.5 | -33.8 | 173.9 | -64.7 | 172.6 | 0 | 0 | 0 | 111.7 | L508 N532 S533 V537 V538 L539 M566 T575 L579 | L508-L535 HydrophobicContact CB-CD2 4.21Å; L508-L535 HydrophobicContact CD1-CD2 3.76Å; L508-L535 HydrophobicContact CD2-CD2 3.91Å; L508-L535 HydrophobicContact CG-CD2 4.18Å; N532-L535 HydrophobicContact CB-CD1 4.18Å; N532-L535 VanDerWaalsContact O-CB 3.32Å; N532-L535 WeakPolarHBondContact O-CB 3.11Å; N532-L535 PolarHBondContact O-N 2.91Å; N532-L535 VanDerWaalsContact O-N 3.09Å; S533-L535 VanDerWaalsContact C-N 3.27Å; S533-L535 PolarHBondContact O-N 3.48Å; L535-V537 VanDerWaalsContact C-N 3.32Å; L535-V537 PolarHBondContact O-N 3.33Å; L535-V538 PolarHBondContact O-N 3.39Å; L535-L539 VanDerWaalsContact O-CB 3.26Å; L535-L539 WeakPolarHBondContact O-CB 3.23Å; L535-L539 PolarHBondContact O-N 3.12Å; L535-M566 HydrophobicContact CD2-CE 4.09Å; L535-T575 HydrophobicContact CD1-CG2 3.79Å; L535-L579 HydrophobicContact CB-CD1 4.37Å |
| 536 | S | 87 | Confident | 83.6 | Confident | 22 Ų | 22 | 35.9 Ų | 35.9 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.7 | -38.2 | 176 | -57.1 | 0 | 0 | 0 | 0 | 112.2 | S533 V534 L539 D540 | S533-S536 VanDerWaalsContact O-CB 3.23Å; S533-S536 WeakPolarHBondContact O-CB 3.46Å; S533-S536 PolarHBondContact O-N 3.47Å; S533-S536 VanDerWaalsContact O-N 3.08Å; V534-S536 VanDerWaalsContact C-N 3.27Å; V534-S536 PolarHBondContact O-N 3.22Å; S536-L539 PolarHBondContact O-N 3.1Å; S536-D540 WeakPolarHBondContact O-CB 3.26Å; S536-D540 PolarHBondContact O-N 3.32Å |
| 537 | V | 87.7 | Confident | 83.6 | Confident | 12 Ų | 12 | 40.8 Ų | 40.8 | 7% | 0.073 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.4 | -43.8 | 178.3 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | L473 R477 L528 S533 V534 L535 L539 K541 | L473-V537 HydrophobicContact CD2-CG1 4.11Å; R477-V537 HydrophobicContact CG-CG1 4.34Å; L528-V537 HydrophobicContact CD1-CG2 3.7Å; L528-V537 HydrophobicContact CD2-CG2 4.18Å; S533-V537 PolarHBondContact O-N 2.92Å; V534-V537 PolarHBondContact O-N 3.42Å; L535-V537 VanDerWaalsContact C-N 3.32Å; L535-V537 PolarHBondContact O-N 3.33Å; V537-L539 VanDerWaalsContact C-N 3.34Å; V537-K541 PolarHBondContact O-N 3.02Å |
| 538 | V | 90.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.5 | -44.6 | 176 | -175.6 | 0 | 0 | 0 | 0 | 110.2 | L500 F503 L508 V534 L535 K541 V542 L562 M566 | L500-V538 HydrophobicContact CB-CG1 4.39Å; L500-V538 HydrophobicContact CD1-CG1 4.31Å; L500-V538 HydrophobicContact CD2-CB 4.49Å; L500-V538 HydrophobicContact CD2-CG1 4.2Å; L500-V538 HydrophobicContact CD2-CG2 3.99Å; F503-V538 HydrophobicContact CD1-CG2 4.28Å; F503-V538 HydrophobicContact CE1-CG2 4.12Å; L508-V538 HydrophobicContact CD1-CG2 4.18Å; V534-V538 PolarHBondContact O-N 3.42Å; L535-V538 PolarHBondContact O-N 3.39Å; V538-K541 PolarHBondContact O-N 2.99Å; V538-V542 WeakPolarHBondContact O-CG2 3.26Å; V538-V542 PolarHBondContact O-N 2.94Å; V538-L562 HydrophobicContact CG1-CD2 4.09Å; V538-M566 HydrophobicContact CB-CE 4.09Å; V538-M566 HydrophobicContact CB-SD 4.36Å; V538-M566 HydrophobicContact CG1-CE 4Å; V538-M566 HydrophobicContact CG1-SD 3.6Å; V538-M566 VanDerWaalsContact CG1-SD 3.6Å |
| 539 | L | 90.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.3 | -43.7 | 179.7 | -179.8 | 62.7 | 0 | 0 | 0 | 112.1 | L535 S536 V537 K541 V542 L543 L563 L579 Q581 M582 | L535-L539 VanDerWaalsContact O-CB 3.26Å; L535-L539 WeakPolarHBondContact O-CB 3.23Å; L535-L539 PolarHBondContact O-N 3.12Å; S536-L539 PolarHBondContact O-N 3.1Å; V537-L539 VanDerWaalsContact C-N 3.34Å; L539-K541 PolarHBondContact O-N 3.5Å; L539-V542 PolarHBondContact O-N 3.32Å; L539-L543 HydrophobicContact CD1-CD1 4.02Å; L539-L543 HydrophobicContact CD1-CD2 4.28Å; L539-L543 HydrophobicContact CD1-CG 3.86Å; L539-L543 HydrophobicContact CD2-CD1 4.39Å; L539-L543 HydrophobicContact CG-CD1 3.86Å; L539-L543 HydrophobicContact CG-CG 4.11Å; L539-L543 WeakPolarHBondContact O-CB 3.14Å; L539-L543 VanDerWaalsContact O-CG 3.29Å; L539-L543 WeakPolarHBondContact O-CG 3.28Å; L539-L543 PolarHBondContact O-N 2.89Å; L539-L563 HydrophobicContact CD1-CD1 3.95Å; L539-L579 HydrophobicContact CD2-CB 4.44Å; L539-L579 HydrophobicContact CD2-CD1 3.89Å; L539-Q581 HydrophobicContact CD2-CB 3.82Å; L539-Q581 HydrophobicContact CG-CB 4.46Å; L539-M582 HydrophobicContact CD1-CG 4.38Å; L539-M582 HydrophobicContact CD1-SD 3.63Å; L539-M582 HydrophobicContact CD2-CG 3.59Å; L539-M582 HydrophobicContact CD2-SD 3.91Å; L539-M582 HydrophobicContact CG-SD 4.38Å |
| 540 | D | 90.3 | Very high | 83.2 | Confident | 78 Ų | 78 | 38.9 Ų | 38.9 | 42% | 0.417 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -57.7 | -39.7 | 176.9 | -71.7 | -21.2 | 0 | 0 | 0 | 110.6 | S536 H544 Q581 | S536-D540 WeakPolarHBondContact O-CB 3.26Å; S536-D540 PolarHBondContact O-N 3.32Å; D540-H544 WeakPolarHBondContact O-CB 3.36Å; D540-H544 PolarHBondContact O-N 2.97Å; D540-Q581 WeakPolarHBondContact OD1-CG 3.47Å; D540-Q581 PolarHBondContact OD1-NE2 3.39Å |
| 541 | K | 91 | Very high | 83.8 | Confident | 10 Ų | 10 | 33.7 Ų | 33.7 | 4% | 0.043 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.4 | -47.1 | 175.7 | -176.1 | 52.5 | 173 | 170.4 | 0 | 112.3 | I476 E493 L500 V537 V538 L539 L543 H544 N545 | I476-K541 HydrophobicContact CG2-CB 4.24Å; I476-K541 HydrophobicContact CG2-CD 3.86Å; I476-K541 HydrophobicContact CG2-CG 3.99Å; E493-K541 IonicContact OE1-NZ 2.9Å; E493-K541 PolarHBondContact OE1-NZ 3.35Å; E493-K541 WeakPolarHBondContact OE2-CE 3.46Å; E493-K541 IonicContact OE2-NZ 3.63Å; E493-K541 PolarHBondContact OE2-NZ 3.45Å; L500-K541 HydrophobicContact CD1-CB 4.08Å; L500-K541 HydrophobicContact CD1-CG 3.78Å; V537-K541 PolarHBondContact O-N 3.02Å; V538-K541 PolarHBondContact O-N 2.99Å; L539-K541 PolarHBondContact O-N 3.5Å; K541-L543 PolarHBondContact O-N 3.48Å; K541-H544 WeakPolarHBondContact O-CB 3.4Å; K541-H544 PolarHBondContact O-N 3.18Å; K541-N545 WeakPolarHBondContact CE-OD1 3.33Å; K541-N545 PolarHBondContact NZ-OD1 2.74Å; K541-N545 VanDerWaalsContact O-CG 3.31Å; K541-N545 PolarHBondContact O-N 3.23Å; K541-N545 PolarHBondContact O-OD1 3.01Å |
| 542 | V | 90.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.6 | -50.9 | 175.9 | 167.7 | 0 | 0 | 0 | 0 | 110.7 | V538 L539 H544 N545 L546 S559 L562 L563 | V538-V542 WeakPolarHBondContact O-CG2 3.26Å; V538-V542 PolarHBondContact O-N 2.94Å; L539-V542 PolarHBondContact O-N 3.32Å; V542-H544 VanDerWaalsContact C-N 3.32Å; V542-H544 PolarHBondContact O-N 2.71Å; V542-N545 PolarHBondContact O-N 3.03Å; V542-N545 VanDerWaalsContact O-N 3.15Å; V542-L546 HydrophobicContact CG1-CD1 4.11Å; V542-L546 HydrophobicContact CG1-CG 4.47Å; V542-L546 VanDerWaalsContact O-CG 3.32Å; V542-L546 WeakPolarHBondContact O-CG 3.27Å; V542-L546 PolarHBondContact O-N 3.2Å; V542-S559 WeakPolarHBondContact CG1-O 3.43Å; V542-L562 HydrophobicContact CG2-CB 4.41Å; V542-L562 HydrophobicContact CG2-CD2 3.68Å; V542-L562 HydrophobicContact CG2-CG 4.08Å; V542-L563 HydrophobicContact CG1-CB 4.13Å |
| 543 | L | 89.3 | Confident | 84.8 | Confident | 26 Ų | 26 | 33.6 Ų | 33.6 | 14% | 0.136 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.8 | -36.8 | -179 | -66.2 | -179.4 | 0 | 0 | 0 | 112.2 | L539 K541 L546 K547 Q581 V585 F594 | L539-L543 HydrophobicContact CD1-CD1 4.02Å; L539-L543 HydrophobicContact CD1-CD2 4.28Å; L539-L543 HydrophobicContact CD1-CG 3.86Å; L539-L543 HydrophobicContact CD2-CD1 4.39Å; L539-L543 HydrophobicContact CG-CD1 3.86Å; L539-L543 HydrophobicContact CG-CG 4.11Å; L539-L543 WeakPolarHBondContact O-CB 3.14Å; L539-L543 VanDerWaalsContact O-CG 3.29Å; L539-L543 WeakPolarHBondContact O-CG 3.28Å; L539-L543 PolarHBondContact O-N 2.89Å; K541-L543 PolarHBondContact O-N 3.48Å; L543-L546 HydrophobicContact CD2-CD1 4.48Å; L543-L546 PolarHBondContact O-N 3.04Å; L543-K547 WeakPolarHBondContact O-CB 3.3Å; L543-K547 PolarHBondContact O-N 2.82Å; L543-Q581 HydrophobicContact CD1-CB 3.74Å; L543-V585 HydrophobicContact CD1-CG2 3.96Å; L543-V585 HydrophobicContact CD2-CG2 3.72Å; L543-V585 HydrophobicContact CG-CG2 4.5Å; L543-F594 HydrophobicContact CD2-CE1 4.39Å |
| 544 | H | 87.4 | Confident | 85.1 | Confident | 51 Ų | 51 | 37.9 Ų | 37.9 | 24% | 0.236 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.7 | -49.1 | 171.7 | 179.2 | 91.8 | 0 | 0 | 0 | 111 | Q483 D540 K541 V542 L546 K547 T548 F549 | Q483-H544 PolarHBondContact OE1-CE1 3.44Å; Q483-H544 PolarHBondContact OE1-NE2 3.13Å; D540-H544 WeakPolarHBondContact O-CB 3.36Å; D540-H544 PolarHBondContact O-N 2.97Å; K541-H544 WeakPolarHBondContact O-CB 3.4Å; K541-H544 PolarHBondContact O-N 3.18Å; V542-H544 VanDerWaalsContact C-N 3.32Å; V542-H544 PolarHBondContact O-N 2.71Å; H544-L546 VanDerWaalsContact C-N 3.33Å; H544-L546 PolarHBondContact O-N 3.27Å; H544-K547 PolarHBondContact O-N 2.92Å; H544-K547 VanDerWaalsContact O-N 3.1Å; H544-T548 PolarHBondContact CE1-OG1 3.47Å; H544-T548 PolarHBondContact NE2-OG1 2.9Å; H544-T548 WeakPolarHBondContact O-CB 3.39Å; H544-T548 PolarHBondContact O-N 3.19Å; H544-T548 PolarHBondContact O-OG1 2.7Å; H544-T548 VanDerWaalsContact O-OG1 3.05Å; H544-F549 AromaticContact NE2-CZ 3.93Å |
| 545 | N | 87.6 | Confident | 85.3 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.5 | -42.4 | -179.2 | -69.9 | 8.4 | 0 | 0 | 0 | 111.7 | K541 V542 K547 F549 S559 | K541-N545 WeakPolarHBondContact CE-OD1 3.33Å; K541-N545 PolarHBondContact NZ-OD1 2.74Å; K541-N545 VanDerWaalsContact O-CG 3.31Å; K541-N545 PolarHBondContact O-N 3.23Å; K541-N545 PolarHBondContact O-OD1 3.01Å; V542-N545 PolarHBondContact O-N 3.03Å; V542-N545 VanDerWaalsContact O-N 3.15Å; N545-K547 VanDerWaalsContact C-N 3.25Å; N545-K547 PolarHBondContact O-N 3.37Å; N545-F549 HydrophobicContact CB-CD2 4.02Å; N545-F549 HydrophobicContact CB-CE2 4.32Å; N545-F549 PolarHBondContact O-N 2.99Å; N545-F549 VanDerWaalsContact OD1-CE2 3.32Å; N545-F549 WeakPolarHBondContact OD1-CE2 3.35Å; N545-S559 WeakPolarHBondContact CB-OG 3.42Å; N545-S559 PolarHBondContact ND2-OG 2.95Å |
| 546 | L | 85 | Confident | 85.4 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.9 | -24.8 | 176.6 | -62.9 | 179.6 | 0 | 0 | 0 | 113.6 | V542 L543 H544 I556 I560 F594 A596 L612 | V542-L546 HydrophobicContact CG1-CD1 4.11Å; V542-L546 HydrophobicContact CG1-CG 4.47Å; V542-L546 VanDerWaalsContact O-CG 3.32Å; V542-L546 WeakPolarHBondContact O-CG 3.27Å; V542-L546 PolarHBondContact O-N 3.2Å; L543-L546 HydrophobicContact CD2-CD1 4.48Å; L543-L546 PolarHBondContact O-N 3.04Å; H544-L546 VanDerWaalsContact C-N 3.33Å; H544-L546 PolarHBondContact O-N 3.27Å; L546-I556 HydrophobicContact CD2-CG2 3.79Å; L546-I560 HydrophobicContact CD2-CD1 4.4Å; L546-I560 HydrophobicContact CD2-CG1 3.78Å; L546-F594 HydrophobicContact CB-CD1 3.74Å; L546-F594 HydrophobicContact CB-CE1 3.92Å; L546-F594 HydrophobicContact CD1-CE1 4.25Å; L546-A596 WeakPolarHBondContact O-CB 3.42Å; L546-L612 HydrophobicContact CD1-CD1 4.41Å |
| 547 | K | 82.9 | Confident | 85.5 | Confident | 119 Ų | 119 | 38.1 Ų | 38.1 | 52% | 0.517 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -91.1 | -41.5 | -178.7 | -177.9 | 169.9 | -177.5 | -176.8 | 0 | 112.8 | L543 H544 N545 Q593 | L543-K547 WeakPolarHBondContact O-CB 3.3Å; L543-K547 PolarHBondContact O-N 2.82Å; H544-K547 PolarHBondContact O-N 2.92Å; H544-K547 VanDerWaalsContact O-N 3.1Å; N545-K547 VanDerWaalsContact C-N 3.25Å; N545-K547 PolarHBondContact O-N 3.37Å; K547-Q593 WeakPolarHBondContact CG-O 3.39Å |
| 548 | T | 80.1 | Confident | 85.7 | Confident | 67 Ų | 67 | 39.9 Ų | 39.9 | 41% | 0.411 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -94.7 | -38 | -164.6 | -50.2 | 0 | 0 | 0 | 0 | 113.4 | H544 V550 | H544-T548 PolarHBondContact CE1-OG1 3.47Å; H544-T548 PolarHBondContact NE2-OG1 2.9Å; H544-T548 WeakPolarHBondContact O-CB 3.39Å; H544-T548 PolarHBondContact O-N 3.19Å; H544-T548 PolarHBondContact O-OG1 2.7Å; H544-T548 VanDerWaalsContact O-OG1 3.05Å; T548-V550 PolarHBondContact O-N 3.35Å; T548-V550 VanDerWaalsContact O-N 3.12Å |
| 549 | F | 78.9 | Confident | 85.8 | Confident | 13 Ų | 13 | 39.9 Ų | 39.9 | 6% | 0.057 | 22% | 0.216 | C | C | . | . | trans | -93.5 | 67.5 | -166.8 | -58.7 | -49.2 | 0 | 0 | 0 | 113.8 | F488 E493 H544 N545 G551 H552 L555 | F488-F549 AromaticContact CD2-CD1 3.5Å; F488-F549 HydrophobicContact CD2-CD1 3.5Å; F488-F549 VanDerWaalsContact CD2-CD1 3.5Å; F488-F549 AromaticContact CD2-CE1 3.09Å; F488-F549 HydrophobicContact CD2-CE1 3.09Å; F488-F549 HydrophobicContact CD2-CG 4.44Å; F488-F549 AromaticContact CD2-CZ 3.72Å; F488-F549 HydrophobicContact CD2-CZ 3.72Å; F488-F549 AromaticContact CE2-CD1 3.32Å; F488-F549 HydrophobicContact CE2-CD1 3.32Å; F488-F549 HydrophobicContact CE2-CD2 4.27Å; F488-F549 AromaticContact CE2-CE1 3.32Å; F488-F549 HydrophobicContact CE2-CE1 3.32Å; F488-F549 HydrophobicContact CE2-CE2 4.22Å; F488-F549 AromaticContact CE2-CG 3.86Å; F488-F549 HydrophobicContact CE2-CG 3.86Å; F488-F549 AromaticContact CE2-CZ 3.78Å; F488-F549 HydrophobicContact CE2-CZ 3.78Å; F488-F549 HydrophobicContact CG-CD1 4.45Å; F488-F549 HydrophobicContact CG-CE1 4.16Å; F488-F549 HydrophobicContact CZ-CD1 4.23Å; E493-F549 HydrophobicContact CG-CE2 4Å; E493-F549 HydrophobicContact CG-CZ 4.05Å; H544-F549 AromaticContact NE2-CZ 3.93Å; N545-F549 HydrophobicContact CB-CD2 4.02Å; N545-F549 HydrophobicContact CB-CE2 4.32Å; N545-F549 PolarHBondContact O-N 2.99Å; N545-F549 VanDerWaalsContact OD1-CE2 3.32Å; N545-F549 WeakPolarHBondContact OD1-CE2 3.35Å; F549-G551 PolarHBondContact O-N 2.86Å; F549-H552 HydrophobicContact CB-CB 4.24Å; F549-H552 PolarHBondContact O-N 3.13Å; F549-L555 HydrophobicContact CD2-CD1 4.3Å; F549-L555 HydrophobicContact CG-CD1 4.5Å | ||
| 550 | V | 73.9 | Confident | 85.8 | Confident | 80 Ų | 80 | 40 Ų | 40 | 49% | 0.485 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 126.5 | 173.6 | -172.1 | 0 | 0 | 0 | 0 | 110.4 | T548 L595 A596 | T548-V550 PolarHBondContact O-N 3.35Å; T548-V550 VanDerWaalsContact O-N 3.12Å; V550-L595 HydrophobicContact CG2-CB 4.05Å; V550-A596 HydrophobicContact CG2-CB 4.3Å |
| 551 | G | 75.6 | Confident | 85.9 | Confident | 51 Ų | 51 | 40.9 Ų | 40.9 | 53% | 0.526 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | -8.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | F549 E553 | F549-G551 PolarHBondContact O-N 2.86Å; G551-E553 PolarHBondContact O-N 2.99Å |
| 552 | H | 81.4 | Confident | 85.9 | Confident | 61 Ų | 61 | 40.5 Ų | 40.5 | 28% | 0.282 | 22% | 0.216 | S | C | . | . | trans | -91.9 | 79.4 | 176.6 | -69.2 | -80.6 | 0 | 0 | 0 | 111.7 | F488 F549 D554 L555 I556 | F488-H552 AromaticContact CE1-CD2 3.95Å; F488-H552 AromaticContact CE1-CE1 3.21Å; F488-H552 WeakPolarHBondContact CE1-CE1 3.33Å; F488-H552 AromaticContact CE1-ND1 3.89Å; F488-H552 AromaticContact CE1-NE2 3.21Å; F488-H552 WeakPolarHBondContact CE1-NE2 3.48Å; F488-H552 AromaticContact CZ-CD2 3.7Å; F488-H552 AromaticContact CZ-CE1 3.5Å; F488-H552 AromaticContact CZ-CG 3.86Å; F488-H552 AromaticContact CZ-ND1 3.72Å; F488-H552 AromaticContact CZ-NE2 3.47Å; F488-H552 WeakPolarHBondContact CZ-NE2 3.28Å; F549-H552 HydrophobicContact CB-CB 4.24Å; F549-H552 PolarHBondContact O-N 3.13Å; H552-D554 PolarHBondContact O-N 2.8Å; H552-L555 HydrophobicContact CB-CB 4.03Å; H552-L555 HydrophobicContact CB-CD1 3.84Å; H552-L555 HydrophobicContact CB-CG 4.22Å; H552-L555 PolarHBondContact O-N 3.04Å; H552-I556 VanDerWaalsContact O-CG1 3.28Å; H552-I556 WeakPolarHBondContact O-CG1 3.06Å; H552-I556 PolarHBondContact O-N 3.16Å; H552-I556 VanDerWaalsContact O-N 3.12Å | ||
| 553 | E | 82.8 | Confident | 86 | Confident | 72 Ų | 72 | 40.6 Ų | 40.6 | 34% | 0.336 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -55.1 | -45.9 | -173.9 | -68.4 | -172.2 | -175.2 | 0 | 0 | 113.4 | G551 I556 L557 K604 T605 L608 | G551-E553 PolarHBondContact O-N 2.99Å; E553-I556 PolarHBondContact O-N 3.43Å; E553-L557 WeakPolarHBondContact O-CB 3.42Å; E553-L557 PolarHBondContact O-N 3Å; E553-K604 WeakPolarHBondContact OE1-CB 3.45Å; E553-T605 HydrophobicContact CG-CG2 4.08Å; E553-L608 HydrophobicContact CB-CD1 4.49Å |
| 554 | D | 86.1 | Confident | 86.1 | Confident | 102 Ų | 102 | 43.2 Ų | 43.2 | 55% | 0.545 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.5 | -44 | -177.9 | -61.3 | -42.7 | 0 | 0 | 0 | 111.9 | H552 I556 L557 H558 | H552-D554 PolarHBondContact O-N 2.8Å; D554-I556 VanDerWaalsContact C-N 3.31Å; D554-I556 PolarHBondContact O-N 2.68Å; D554-L557 PolarHBondContact O-N 3.33Å; D554-H558 WeakPolarHBondContact O-CB 3.01Å; D554-H558 PolarHBondContact O-N 3.35Å; D554-H558 PolarHBondContact O-ND1 3.47Å |
| 555 | L | 87.3 | Confident | 86.2 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 176.6 | -75.6 | 178.3 | 0 | 0 | 0 | 111.6 | F488 N490 E493 M494 L497 F549 H552 S559 | F488-L555 HydrophobicContact CE2-CD1 3.9Å; F488-L555 HydrophobicContact CZ-CD1 3.74Å; N490-L555 WeakPolarHBondContact OD1-CD1 3.41Å; N490-L555 WeakPolarHBondContact OD1-CG 3.33Å; E493-L555 HydrophobicContact CB-CD1 3.84Å; E493-L555 HydrophobicContact CB-CD2 3.54Å; E493-L555 HydrophobicContact CB-CG 4.39Å; M494-L555 HydrophobicContact CB-CD2 4.42Å; M494-L555 HydrophobicContact CG-CD2 3.68Å; M494-L555 HydrophobicContact CG-CG 4.47Å; M494-L555 HydrophobicContact SD-CD2 3.55Å; M494-L555 VanDerWaalsContact SD-CD2 3.55Å; M494-L555 HydrophobicContact SD-CG 4.24Å; L497-L555 HydrophobicContact CD1-CD2 3.8Å; L497-L555 WeakPolarHBondContact CD1-O 3.33Å; F549-L555 HydrophobicContact CD2-CD1 4.3Å; F549-L555 HydrophobicContact CG-CD1 4.5Å; H552-L555 HydrophobicContact CB-CB 4.03Å; H552-L555 HydrophobicContact CB-CD1 3.84Å; H552-L555 HydrophobicContact CB-CG 4.22Å; H552-L555 PolarHBondContact O-N 3.04Å; L555-S559 VanDerWaalsContact O-CB 3.25Å; L555-S559 WeakPolarHBondContact O-CB 3.44Å; L555-S559 PolarHBondContact O-N 3.03Å; L555-S559 PolarHBondContact O-OG 2.84Å |
| 556 | I | 87.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.9 | -44.6 | 178.7 | -62.5 | 165.3 | 0 | 0 | 0 | 109.8 | L546 H552 E553 D554 S559 I560 A596 L597 L608 | L546-I556 HydrophobicContact CD2-CG2 3.79Å; H552-I556 VanDerWaalsContact O-CG1 3.28Å; H552-I556 WeakPolarHBondContact O-CG1 3.06Å; H552-I556 PolarHBondContact O-N 3.16Å; H552-I556 VanDerWaalsContact O-N 3.12Å; E553-I556 PolarHBondContact O-N 3.43Å; D554-I556 VanDerWaalsContact C-N 3.31Å; D554-I556 PolarHBondContact O-N 2.68Å; I556-S559 WeakPolarHBondContact O-CB 3.37Å; I556-S559 PolarHBondContact O-N 3.43Å; I556-I560 HydrophobicContact CG2-CD1 3.96Å; I556-I560 VanDerWaalsContact O-CG1 3.32Å; I556-I560 WeakPolarHBondContact O-CG1 3.27Å; I556-I560 PolarHBondContact O-N 3.33Å; I556-A596 HydrophobicContact CD1-CB 3.73Å; I556-A596 HydrophobicContact CG1-CB 4.38Å; I556-L597 HydrophobicContact CG2-CD2 3.87Å; I556-L597 HydrophobicContact CG2-CG 4.42Å; I556-L608 HydrophobicContact CB-CD1 3.68Å; I556-L608 HydrophobicContact CD1-CD1 4.39Å; I556-L608 HydrophobicContact CG2-CB 4.29Å; I556-L608 HydrophobicContact CG2-CD1 3.47Å; I556-L608 VanDerWaalsContact CG2-CD1 3.47Å; I556-L608 HydrophobicContact CG2-CG 4.47Å |
| 557 | L | 89.7 | Confident | 86.3 | Confident | 56 Ų | 56 | 41.8 Ų | 41.8 | 29% | 0.293 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.2 | -53.2 | 178.4 | 178.4 | 61 | 0 | 0 | 0 | 111.3 | E553 D554 S559 I560 E561 L608 | E553-L557 WeakPolarHBondContact O-CB 3.42Å; E553-L557 PolarHBondContact O-N 3Å; D554-L557 PolarHBondContact O-N 3.33Å; L557-S559 VanDerWaalsContact C-N 3.25Å; L557-S559 PolarHBondContact O-N 2.99Å; L557-I560 PolarHBondContact O-N 2.72Å; L557-E561 HydrophobicContact CD1-CG 4.32Å; L557-E561 WeakPolarHBondContact O-CG 3.32Å; L557-E561 PolarHBondContact O-N 3.13Å; L557-L608 HydrophobicContact CB-CD2 3.89Å; L557-L608 HydrophobicContact CD1-CD2 3.83Å; L557-L608 HydrophobicContact CG-CD2 4.37Å |
| 558 | H | 90.5 | Very high | 86.4 | Confident | 49 Ų | 49 | 41.2 Ų | 41.2 | 23% | 0.227 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.3 | -32 | 179 | -70.4 | 84.4 | 0 | 0 | 0 | 112 | L497 D554 E561 L562 | L497-H558 HydrophobicContact CD1-CB 3.88Å; D554-H558 WeakPolarHBondContact O-CB 3.01Å; D554-H558 PolarHBondContact O-N 3.35Å; D554-H558 PolarHBondContact O-ND1 3.47Å; H558-E561 PolarHBondContact O-N 3.39Å; H558-L562 WeakPolarHBondContact O-CB 3.4Å; H558-L562 PolarHBondContact O-N 3.38Å |
| 559 | S | 92.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.2 | -41.2 | 172.6 | -60.1 | 0 | 0 | 0 | 0 | 112 | L497 V542 N545 L555 I556 L557 L563 | L497-S559 WeakPolarHBondContact CD1-OG 3.49Å; V542-S559 WeakPolarHBondContact CG1-O 3.43Å; N545-S559 WeakPolarHBondContact CB-OG 3.42Å; N545-S559 PolarHBondContact ND2-OG 2.95Å; L555-S559 VanDerWaalsContact O-CB 3.25Å; L555-S559 WeakPolarHBondContact O-CB 3.44Å; L555-S559 PolarHBondContact O-N 3.03Å; L555-S559 PolarHBondContact O-OG 2.84Å; I556-S559 WeakPolarHBondContact O-CB 3.37Å; I556-S559 PolarHBondContact O-N 3.43Å; L557-S559 VanDerWaalsContact C-N 3.25Å; L557-S559 PolarHBondContact O-N 2.99Å; S559-L563 PolarHBondContact O-N 3.49Å |
| 560 | I | 91.4 | Very high | 86.5 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.8 | -41.4 | 175.1 | -65.8 | 167.5 | 0 | 0 | 0 | 110.6 | L546 I556 L557 L562 L563 K564 L608 A611 L612 | L546-I560 HydrophobicContact CD2-CD1 4.4Å; L546-I560 HydrophobicContact CD2-CG1 3.78Å; I556-I560 HydrophobicContact CG2-CD1 3.96Å; I556-I560 VanDerWaalsContact O-CG1 3.32Å; I556-I560 WeakPolarHBondContact O-CG1 3.27Å; I556-I560 PolarHBondContact O-N 3.33Å; L557-I560 PolarHBondContact O-N 2.72Å; I560-L562 VanDerWaalsContact C-N 3.34Å; I560-L563 WeakPolarHBondContact O-CB 3.28Å; I560-L563 PolarHBondContact O-N 3.39Å; I560-K564 WeakPolarHBondContact O-CB 3.38Å; I560-K564 PolarHBondContact O-N 3.02Å; I560-L608 HydrophobicContact CD1-CB 3.93Å; I560-L608 WeakPolarHBondContact CD1-O 3.3Å; I560-A611 HydrophobicContact CG2-CB 3.86Å; I560-L612 HydrophobicContact CD1-CB 4.14Å |
| 561 | E | 91.7 | Very high | 86.9 | Confident | 95 Ų | 95 | 47.5 Ų | 47.5 | 44% | 0.444 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.9 | -39.7 | 177.3 | -72.5 | 178.2 | 168.4 | 0 | 0 | 111.9 | L557 H558 K564 G565 | L557-E561 HydrophobicContact CD1-CG 4.32Å; L557-E561 WeakPolarHBondContact O-CG 3.32Å; L557-E561 PolarHBondContact O-N 3.13Å; H558-E561 PolarHBondContact O-N 3.39Å; E561-K564 PolarHBondContact O-N 3.43Å; E561-G565 PolarHBondContact O-N 3.22Å |
| 562 | L | 92.4 | Very high | 87.4 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.1 | -46.1 | 172.2 | -178.4 | 57.9 | 0 | 0 | 0 | 111.2 | L497 L500 H501 R504 V538 V542 H558 I560 K564 G565 M566 | L497-L562 HydrophobicContact CD2-CD2 4.22Å; L500-L562 HydrophobicContact CB-CD2 3.66Å; L500-L562 HydrophobicContact CD1-CD2 4.25Å; H501-L562 HydrophobicContact CB-CD1 4.37Å; R504-L562 HydrophobicContact CB-CD1 4.14Å; R504-L562 HydrophobicContact CG-CD1 4.4Å; V538-L562 HydrophobicContact CG1-CD2 4.09Å; V542-L562 HydrophobicContact CG2-CB 4.41Å; V542-L562 HydrophobicContact CG2-CD2 3.68Å; V542-L562 HydrophobicContact CG2-CG 4.08Å; H558-L562 WeakPolarHBondContact O-CB 3.4Å; H558-L562 PolarHBondContact O-N 3.38Å; I560-L562 VanDerWaalsContact C-N 3.34Å; L562-K564 PolarHBondContact O-N 3.2Å; L562-G565 PolarHBondContact O-N 2.96Å; L562-M566 HydrophobicContact CD1-SD 4.47Å; L562-M566 HydrophobicContact CG-SD 4.21Å; L562-M566 VanDerWaalsContact O-CG 3.27Å; L562-M566 WeakPolarHBondContact O-CG 3.31Å; L562-M566 PolarHBondContact O-N 2.91Å |
| 563 | L | 92.8 | Very high | 87.6 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60 | -45.5 | 174.8 | -175.8 | 60.6 | 0 | 0 | 0 | 111.8 | L539 V542 S559 I560 G565 M566 S567 M582 L612 T615 M619 | L539-L563 HydrophobicContact CD1-CD1 3.95Å; V542-L563 HydrophobicContact CG1-CB 4.13Å; S559-L563 PolarHBondContact O-N 3.49Å; I560-L563 WeakPolarHBondContact O-CB 3.28Å; I560-L563 PolarHBondContact O-N 3.39Å; L563-G565 VanDerWaalsContact C-N 3.34Å; L563-G565 PolarHBondContact O-N 3.05Å; L563-M566 PolarHBondContact O-N 3.31Å; L563-S567 WeakPolarHBondContact O-CB 3.16Å; L563-S567 PolarHBondContact O-N 2.83Å; L563-S567 PolarHBondContact O-OG 2.94Å; L563-M582 HydrophobicContact CD1-SD 4.32Å; L563-L612 HydrophobicContact CD2-CD1 4.37Å; L563-T615 HydrophobicContact CB-CG2 4.43Å; L563-T615 HydrophobicContact CD2-CG2 4.15Å; L563-T615 HydrophobicContact CG-CG2 3.9Å; L563-M619 HydrophobicContact CG-CE 4.5Å |
| 564 | K | 91 | Very high | 87.7 | Confident | 80 Ų | 80 | 45.6 Ų | 45.6 | 35% | 0.348 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.7 | -47.1 | 177.5 | -174.9 | 170.5 | 174.9 | 172.1 | 0 | 110.2 | I560 E561 L562 M566 S567 M568 E614 T615 | I560-K564 WeakPolarHBondContact O-CB 3.38Å; I560-K564 PolarHBondContact O-N 3.02Å; E561-K564 PolarHBondContact O-N 3.43Å; L562-K564 PolarHBondContact O-N 3.2Å; K564-M566 PolarHBondContact O-N 3.31Å; K564-S567 WeakPolarHBondContact CA-OG 3.31Å; K564-S567 PolarHBondContact O-N 3.1Å; K564-S567 VanDerWaalsContact O-N 3.11Å; K564-S567 PolarHBondContact O-OG 3.35Å; K564-M568 WeakPolarHBondContact O-CG 3.49Å; K564-M568 PolarHBondContact O-N 3.31Å; K564-E614 IonicContact NZ-OE1 2.83Å; K564-E614 PolarHBondContact NZ-OE1 2.95Å; K564-T615 HydrophobicContact CB-CG2 4Å |
| 565 | G | 88.5 | Confident | 87.7 | Confident | 12 Ų | 12 | 41.9 Ų | 41.9 | 12% | 0.124 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -53.2 | -54.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R504 E561 L562 L563 S567 M568 | R504-G565 PolarHBondContact NE-O 2.98Å; R504-G565 PolarHBondContact NH2-O 3.46Å; E561-G565 PolarHBondContact O-N 3.22Å; L562-G565 PolarHBondContact O-N 2.96Å; L563-G565 VanDerWaalsContact C-N 3.34Å; L563-G565 PolarHBondContact O-N 3.05Å; G565-S567 PolarHBondContact O-N 3.21Å; G565-S567 VanDerWaalsContact O-N 3.16Å; G565-M568 WeakPolarHBondContact O-CB 3.33Å; G565-M568 WeakPolarHBondContact O-CG 3.35Å; G565-M568 PolarHBondContact O-N 2.83Å; G565-M568 VanDerWaalsContact O-N 3.13Å |
| 566 | M | 88.3 | Confident | 87.7 | Confident | 11 Ų | 11 | 42 Ų | 42 | 5% | 0.054 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.8 | -29.4 | 179 | -67.1 | 170.3 | 66.3 | 0 | 0 | 112.9 | R504 L535 V538 L562 L563 K564 A572 L576 | R504-M566 HydrophobicContact CG-CG 3.9Å; L535-M566 HydrophobicContact CD2-CE 4.09Å; V538-M566 HydrophobicContact CB-CE 4.09Å; V538-M566 HydrophobicContact CB-SD 4.36Å; V538-M566 HydrophobicContact CG1-CE 4Å; V538-M566 HydrophobicContact CG1-SD 3.6Å; V538-M566 VanDerWaalsContact CG1-SD 3.6Å; L562-M566 HydrophobicContact CD1-SD 4.47Å; L562-M566 HydrophobicContact CG-SD 4.21Å; L562-M566 VanDerWaalsContact O-CG 3.27Å; L562-M566 WeakPolarHBondContact O-CG 3.31Å; L562-M566 PolarHBondContact O-N 2.91Å; L563-M566 PolarHBondContact O-N 3.31Å; K564-M566 PolarHBondContact O-N 3.31Å; M566-A572 WeakPolarHBondContact O-CB 3.43Å; M566-L576 HydrophobicContact CB-CD1 3.89Å; M566-L576 HydrophobicContact CE-CD2 3.97Å; M566-L576 WeakPolarHBondContact O-CD1 3.34Å |
| 567 | S | 87 | Confident | 87.7 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -82.7 | -8.1 | 179.7 | 71.8 | 0 | 0 | 0 | 0 | 115.8 | L563 K564 G565 G569 S573 M619 | L563-S567 WeakPolarHBondContact O-CB 3.16Å; L563-S567 PolarHBondContact O-N 2.83Å; L563-S567 PolarHBondContact O-OG 2.94Å; K564-S567 WeakPolarHBondContact CA-OG 3.31Å; K564-S567 PolarHBondContact O-N 3.1Å; K564-S567 VanDerWaalsContact O-N 3.11Å; K564-S567 PolarHBondContact O-OG 3.35Å; G565-S567 PolarHBondContact O-N 3.21Å; G565-S567 VanDerWaalsContact O-N 3.16Å; S567-G569 PolarHBondContact O-N 3.29Å; S567-G569 VanDerWaalsContact O-N 3.13Å; S567-S573 PolarHBondContact O-OG 2.83Å; S567-M619 VanDerWaalsContact CB-SD 3.5Å |
| 568 | M | 84 | Confident | 87.6 | Confident | 106 Ų | 106 | 43 Ų | 43 | 52% | 0.522 | 22% | 0.215 | S | C | . | . | trans | -65.3 | 116 | -175.5 | -66.2 | -59.6 | -69.4 | 0 | 0 | 111.5 | K564 G565 | K564-M568 WeakPolarHBondContact O-CG 3.49Å; K564-M568 PolarHBondContact O-N 3.31Å; G565-M568 WeakPolarHBondContact O-CB 3.33Å; G565-M568 WeakPolarHBondContact O-CG 3.35Å; G565-M568 PolarHBondContact O-N 2.83Å; G565-M568 VanDerWaalsContact O-N 3.13Å | ||
| 569 | G | 81.2 | Confident | 87.5 | Confident | 22 Ų | 22 | 41.4 Ų | 41.4 | 23% | 0.227 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 102.4 | 155.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S567 K571 S573 | S567-G569 PolarHBondContact O-N 3.29Å; S567-G569 VanDerWaalsContact O-N 3.13Å; G569-K571 PolarHBondContact O-N 3.48Å; G569-S573 VanDerWaalsContact O-CB 3.31Å; G569-S573 WeakPolarHBondContact O-CB 3.33Å; G569-S573 PolarHBondContact O-N 3.45Å; G569-S573 PolarHBondContact O-OG 3.32Å |
| 570 | Y | 80.8 | Confident | 87.4 | Confident | 125 Ų | 125 | 45.7 Ų | 45.7 | 49% | 0.49 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62 | -46 | -173.8 | 177.1 | -104.7 | 0 | 0 | 0 | 113 | K574 Y622 | Y570-K574 WeakPolarHBondContact O-CB 3.48Å; Y570-K574 PolarHBondContact O-N 3.17Å; Y570-Y622 HydrophobicContact CD2-CD1 4.09Å; Y570-Y622 HydrophobicContact CD2-CG 4.46Å; Y570-Y622 WeakPolarHBondContact CE2-O 3.38Å |
| 571 | K | 83 | Confident | 87.2 | Confident | 146 Ų | 146 | 47.8 Ų | 47.8 | 64% | 0.635 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -66.8 | -45.9 | -178.5 | -172.8 | -176.2 | 176.5 | -168.8 | 0 | 111.7 | G569 K574 T575 | G569-K571 PolarHBondContact O-N 3.48Å; K571-K574 PolarHBondContact O-N 3.48Å; K571-T575 VanDerWaalsContact O-CB 3.3Å; K571-T575 WeakPolarHBondContact O-CB 3.46Å; K571-T575 PolarHBondContact O-N 2.94Å; K571-T575 PolarHBondContact O-OG1 2.71Å |
| 572 | A | 84.4 | Confident | 87.1 | Confident | 19 Ų | 19 | 43.2 Ų | 43.2 | 16% | 0.157 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -47.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | M566 K574 T575 L576 | M566-A572 WeakPolarHBondContact O-CB 3.43Å; A572-K574 PolarHBondContact O-N 3.37Å; A572-T575 WeakPolarHBondContact O-CB 3.5Å; A572-T575 PolarHBondContact O-N 3.22Å; A572-L576 WeakPolarHBondContact O-CG 3.37Å; A572-L576 PolarHBondContact O-N 2.94Å |
| 573 | S | 86.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.8 | -46.5 | 175.5 | -81.3 | 0 | 0 | 0 | 0 | 112.9 | S567 G569 T575 L576 L577 Y622 | S567-S573 PolarHBondContact O-OG 2.83Å; G569-S573 VanDerWaalsContact O-CB 3.31Å; G569-S573 WeakPolarHBondContact O-CB 3.33Å; G569-S573 PolarHBondContact O-N 3.45Å; G569-S573 PolarHBondContact O-OG 3.32Å; S573-T575 VanDerWaalsContact C-N 3.29Å; S573-T575 PolarHBondContact O-N 3.43Å; S573-L576 PolarHBondContact O-N 3.28Å; S573-L577 WeakPolarHBondContact O-CB 3.42Å; S573-L577 VanDerWaalsContact O-CG 3.31Å; S573-L577 WeakPolarHBondContact O-CG 3.49Å; S573-L577 PolarHBondContact O-N 3.33Å; S573-Y622 WeakPolarHBondContact OG-CD2 3.28Å |
| 574 | K | 85.5 | Confident | 86.7 | Confident | 125 Ų | 125 | 54.8 Ų | 54.8 | 54% | 0.543 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 177.4 | -173.7 | 173.4 | -178.2 | 172.9 | 0 | 112.2 | Y570 K571 A572 S578 | Y570-K574 WeakPolarHBondContact O-CB 3.48Å; Y570-K574 PolarHBondContact O-N 3.17Å; K571-K574 PolarHBondContact O-N 3.48Å; A572-K574 PolarHBondContact O-N 3.37Å; K574-S578 PolarHBondContact O-N 2.96Å; K574-S578 VanDerWaalsContact O-N 3.11Å |
| 575 | T | 86.3 | Confident | 86.6 | Confident | 24 Ų | 24 | 51.3 Ų | 51.3 | 15% | 0.147 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.4 | -43.6 | 176.9 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | N532 L535 K571 A572 S573 S578 | N532-T575 HydrophobicContact CB-CG2 3.86Å; N532-T575 WeakPolarHBondContact ND2-CG2 3.33Å; L535-T575 HydrophobicContact CD1-CG2 3.79Å; K571-T575 VanDerWaalsContact O-CB 3.3Å; K571-T575 WeakPolarHBondContact O-CB 3.46Å; K571-T575 PolarHBondContact O-N 2.94Å; K571-T575 PolarHBondContact O-OG1 2.71Å; A572-T575 WeakPolarHBondContact O-CB 3.5Å; A572-T575 PolarHBondContact O-N 3.22Å; S573-T575 VanDerWaalsContact C-N 3.29Å; S573-T575 PolarHBondContact O-N 3.43Å; T575-S578 PolarHBondContact O-N 3.39Å; T575-S578 PolarHBondContact O-OG 3.24Å |
| 576 | L | 87.9 | Confident | 86.5 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 175.5 | -71.7 | 176.6 | 0 | 0 | 0 | 111.4 | M566 A572 S573 S578 L579 M582 M619 | M566-L576 HydrophobicContact CB-CD1 3.89Å; M566-L576 HydrophobicContact CE-CD2 3.97Å; M566-L576 WeakPolarHBondContact O-CD1 3.34Å; A572-L576 WeakPolarHBondContact O-CG 3.37Å; A572-L576 PolarHBondContact O-N 2.94Å; S573-L576 PolarHBondContact O-N 3.28Å; L576-S578 PolarHBondContact O-N 3.46Å; L576-L579 HydrophobicContact CD2-CD1 4.14Å; L576-L579 VanDerWaalsContact O-CB 3.3Å; L576-L579 WeakPolarHBondContact O-CB 3.48Å; L576-L579 PolarHBondContact O-N 3.17Å; L576-M582 HydrophobicContact CB-CG 4.25Å; L576-M582 WeakPolarHBondContact O-CB 3.44Å; L576-M582 VanDerWaalsContact O-CG 3.24Å; L576-M582 WeakPolarHBondContact O-CG 3.38Å; L576-M619 HydrophobicContact CB-SD 4.33Å; L576-M619 HydrophobicContact CD1-SD 4.01Å |
| 577 | L | 87.7 | Confident | 86.4 | Confident | 10 Ų | 10 | 54.4 Ų | 54.4 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.5 | -17 | 178.4 | -72.2 | 176.1 | 0 | 0 | 0 | 114 | S573 L579 Q583 V586 M619 | S573-L577 WeakPolarHBondContact O-CB 3.42Å; S573-L577 VanDerWaalsContact O-CG 3.31Å; S573-L577 WeakPolarHBondContact O-CG 3.49Å; S573-L577 PolarHBondContact O-N 3.33Å; L577-L579 VanDerWaalsContact C-N 3.34Å; L577-Q583 WeakPolarHBondContact O-CG 3.39Å; L577-Q583 PolarHBondContact O-NE2 3.12Å; L577-V586 HydrophobicContact CD2-CG2 3.86Å; L577-M619 HydrophobicContact CD1-CB 4.35Å; L577-M619 WeakPolarHBondContact CD1-O 3.2Å; L577-M619 HydrophobicContact CD2-CB 4.37Å; L577-M619 HydrophobicContact CG-CB 4.35Å |
| 578 | S | 87.6 | Confident | 86.3 | Confident | 69 Ų | 69 | 57.3 Ų | 57.3 | 48% | 0.483 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -81.3 | -16.1 | 172.2 | 73.5 | 0 | 0 | 0 | 0 | 112.8 | K574 T575 L576 | K574-S578 PolarHBondContact O-N 2.96Å; K574-S578 VanDerWaalsContact O-N 3.11Å; T575-S578 PolarHBondContact O-N 3.39Å; T575-S578 PolarHBondContact O-OG 3.24Å; L576-S578 PolarHBondContact O-N 3.46Å |
| 579 | L | 88.5 | Confident | 86.2 | Confident | 14 Ų | 14 | 52.6 Ų | 52.6 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -72.1 | 133.8 | 176.6 | -61.5 | 178.8 | 0 | 0 | 0 | 110.8 | L535 L539 L576 L577 Q581 M582 Q583 | L535-L579 HydrophobicContact CB-CD1 4.37Å; L539-L579 HydrophobicContact CD2-CB 4.44Å; L539-L579 HydrophobicContact CD2-CD1 3.89Å; L576-L579 HydrophobicContact CD2-CD1 4.14Å; L576-L579 VanDerWaalsContact O-CB 3.3Å; L576-L579 WeakPolarHBondContact O-CB 3.48Å; L576-L579 PolarHBondContact O-N 3.17Å; L577-L579 VanDerWaalsContact C-N 3.34Å; L579-Q581 PolarHBondContact O-N 3.34Å; L579-M582 PolarHBondContact O-N 3.21Å; L579-M582 VanDerWaalsContact O-N 3.08Å; L579-Q583 PolarHBondContact O-N 2.89Å; L579-Q583 VanDerWaalsContact O-N 3.07Å |
| 580 | P | 89 | Confident | 85.6 | Confident | 91 Ų | 91 | 53.7 Ų | 53.7 | 59% | 0.591 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -55 | -36.4 | 180 | -26.7 | 34.1 | 0 | 0 | 0 | 113.5 | M582 Q583 Y584 | P580-M582 PolarHBondContact O-N 3.47Å; P580-Q583 PolarHBondContact O-N 3.07Å; P580-Y584 WeakPolarHBondContact O-CB 3.33Å; P580-Y584 PolarHBondContact O-N 3.12Å |
| 581 | Q | 87.9 | Confident | 84.6 | Confident | 46 Ų | 46 | 48.9 Ų | 48.9 | 22% | 0.215 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 179 | -58.6 | 95.2 | -35 | 0 | 0 | 111.8 | L539 D540 L543 L579 Y584 V585 | L539-Q581 HydrophobicContact CD2-CB 3.82Å; L539-Q581 HydrophobicContact CG-CB 4.46Å; D540-Q581 WeakPolarHBondContact OD1-CG 3.47Å; D540-Q581 PolarHBondContact OD1-NE2 3.39Å; L543-Q581 HydrophobicContact CD1-CB 3.74Å; L579-Q581 PolarHBondContact O-N 3.34Å; Q581-Y584 PolarHBondContact O-N 3.29Å; Q581-V585 VanDerWaalsContact O-CG2 3.26Å; Q581-V585 WeakPolarHBondContact O-CG2 3.28Å; Q581-V585 PolarHBondContact O-N 3.32Å |
| 582 | M | 89.2 | Confident | 83.5 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.2 | -38 | 177.5 | -74.9 | -49.6 | -59.9 | 0 | 0 | 112.3 | L539 L563 L576 L579 P580 Y584 V585 V586 L616 M619 | L539-M582 HydrophobicContact CD1-CG 4.38Å; L539-M582 HydrophobicContact CD1-SD 3.63Å; L539-M582 HydrophobicContact CD2-CG 3.59Å; L539-M582 HydrophobicContact CD2-SD 3.91Å; L539-M582 HydrophobicContact CG-SD 4.38Å; L563-M582 HydrophobicContact CD1-SD 4.32Å; L576-M582 HydrophobicContact CB-CG 4.25Å; L576-M582 WeakPolarHBondContact O-CB 3.44Å; L576-M582 VanDerWaalsContact O-CG 3.24Å; L576-M582 WeakPolarHBondContact O-CG 3.38Å; L579-M582 PolarHBondContact O-N 3.21Å; L579-M582 VanDerWaalsContact O-N 3.08Å; P580-M582 PolarHBondContact O-N 3.47Å; M582-Y584 PolarHBondContact O-N 3.41Å; M582-V585 HydrophobicContact CE-CG1 4.46Å; M582-V585 PolarHBondContact O-N 3.34Å; M582-V586 HydrophobicContact CE-CG2 4.47Å; M582-V586 WeakPolarHBondContact O-CB 3.49Å; M582-V586 VanDerWaalsContact O-CG2 3.27Å; M582-V586 WeakPolarHBondContact O-CG2 3.37Å; M582-V586 PolarHBondContact O-N 2.75Å; M582-L616 HydrophobicContact CE-CD2 3.92Å; M582-M619 HydrophobicContact CE-CE 3.5Å; M582-M619 HydrophobicContact CE-SD 4.06Å |
| 583 | Q | 88.8 | Confident | 82.3 | Confident | 111 Ų | 111 | 49.8 Ų | 49.8 | 52% | 0.519 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.5 | -42.1 | 174.3 | -67.9 | -179.3 | -1.3 | 0 | 0 | 110.8 | L577 L579 P580 A587 | L577-Q583 WeakPolarHBondContact O-CG 3.39Å; L577-Q583 PolarHBondContact O-NE2 3.12Å; L579-Q583 PolarHBondContact O-N 2.89Å; L579-Q583 VanDerWaalsContact O-N 3.07Å; P580-Q583 PolarHBondContact O-N 3.07Å; Q583-A587 VanDerWaalsContact O-CB 3.28Å; Q583-A587 WeakPolarHBondContact O-CB 3.5Å; Q583-A587 PolarHBondContact O-N 2.91Å |
| 584 | Y | 87.7 | Confident | 81.3 | Confident | 137 Ų | 137 | 50.1 Ų | 50.1 | 54% | 0.537 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 175.1 | -177.2 | -96.2 | 0 | 0 | 0 | 112.6 | P580 Q581 M582 A587 N588 Q593 | P580-Y584 WeakPolarHBondContact O-CB 3.33Å; P580-Y584 PolarHBondContact O-N 3.12Å; Q581-Y584 PolarHBondContact O-N 3.29Å; M582-Y584 PolarHBondContact O-N 3.41Å; Y584-A587 PolarHBondContact O-N 3.34Å; Y584-N588 WeakPolarHBondContact O-CB 3.46Å; Y584-N588 PolarHBondContact O-N 2.86Å; Y584-N588 PolarHBondContact O-ND2 3.1Å; Y584-Q593 VanDerWaalsContact CE1-CD 3.5Å; Y584-Q593 VanDerWaalsContact CE1-NE2 3.26Å; Y584-Q593 PolarHBondContact OH-NE2 3.28Å |
| 585 | V | 88.6 | Confident | 79.9 | Confident | 6 Ų | 6 | 48.7 Ų | 48.7 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 178 | 166.8 | 0 | 0 | 0 | 0 | 111.8 | L543 Q581 M582 A587 N588 H589 F594 L616 | L543-V585 HydrophobicContact CD1-CG2 3.96Å; L543-V585 HydrophobicContact CD2-CG2 3.72Å; L543-V585 HydrophobicContact CG-CG2 4.5Å; Q581-V585 VanDerWaalsContact O-CG2 3.26Å; Q581-V585 WeakPolarHBondContact O-CG2 3.28Å; Q581-V585 PolarHBondContact O-N 3.32Å; M582-V585 HydrophobicContact CE-CG1 4.46Å; M582-V585 PolarHBondContact O-N 3.34Å; V585-A587 VanDerWaalsContact C-N 3.31Å; V585-A587 PolarHBondContact O-N 3.27Å; V585-N588 CarbonylContact O-C 3.57Å; V585-N588 PolarHBondContact O-N 3.49Å; V585-H589 WeakPolarHBondContact O-CA 3.33Å; V585-H589 WeakPolarHBondContact O-CB 3.32Å; V585-H589 PolarHBondContact O-N 3.06Å; V585-F594 HydrophobicContact CG1-CE2 4.22Å; V585-F594 HydrophobicContact CG1-CZ 3.79Å; V585-F594 HydrophobicContact CG2-CZ 4.11Å; V585-L616 HydrophobicContact CG1-CD2 4Å |
| 586 | V | 87 | Confident | 78.6 | Confident | 22 Ų | 22 | 47.6 Ų | 47.6 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.9 | -34 | 179 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | L577 M582 V620 F635 | L577-V586 HydrophobicContact CD2-CG2 3.86Å; M582-V586 HydrophobicContact CE-CG2 4.47Å; M582-V586 WeakPolarHBondContact O-CB 3.49Å; M582-V586 VanDerWaalsContact O-CG2 3.27Å; M582-V586 WeakPolarHBondContact O-CG2 3.37Å; M582-V586 PolarHBondContact O-N 2.75Å; V586-V620 HydrophobicContact CG1-CG2 3.92Å; V586-V620 HydrophobicContact CG2-CG2 4.32Å; V586-F635 HydrophobicContact CG1-CD2 3.93Å; V586-F635 HydrophobicContact CG1-CE2 4.34Å |
| 587 | A | 85.9 | Confident | 77.2 | Confident | 67 Ų | 67 | 47.5 Ų | 47.5 | 55% | 0.554 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -76.6 | -26.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q583 Y584 V585 | Q583-A587 VanDerWaalsContact O-CB 3.28Å; Q583-A587 WeakPolarHBondContact O-CB 3.5Å; Q583-A587 PolarHBondContact O-N 2.91Å; Y584-A587 PolarHBondContact O-N 3.34Å; V585-A587 VanDerWaalsContact C-N 3.31Å; V585-A587 PolarHBondContact O-N 3.27Å |
| 588 | N | 84.4 | Confident | 76 | Confident | 62 Ų | 62 | 47.8 Ų | 47.8 | 33% | 0.332 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -132.4 | 40.2 | -172.2 | -54.9 | -83.2 | 0 | 0 | 0 | 113.2 | Y584 V585 S590 Q593 | Y584-N588 WeakPolarHBondContact O-CB 3.46Å; Y584-N588 PolarHBondContact O-N 2.86Å; Y584-N588 PolarHBondContact O-ND2 3.1Å; V585-N588 CarbonylContact O-C 3.57Å; V585-N588 PolarHBondContact O-N 3.49Å; N588-S590 PolarHBondContact O-N 3.4Å; N588-Q593 HydrophobicContact CB-CG 4.36Å; N588-Q593 PolarHBondContact O-OE1 3.35Å |
| 589 | H | 82.5 | Confident | 74.5 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.028 | 26% | 0.259 | C | S | . | . | trans | -71.7 | -12.7 | 178.7 | 60.3 | -29.7 | 0 | 0 | 0 | 114.1 | V585 L591 Y613 L616 F635 | V585-H589 WeakPolarHBondContact O-CA 3.33Å; V585-H589 WeakPolarHBondContact O-CB 3.32Å; V585-H589 PolarHBondContact O-N 3.06Å; H589-L591 VanDerWaalsContact C-N 3.33Å; H589-L591 PolarHBondContact O-N 3.45Å; H589-Y613 AromaticContact CD2-CE1 3.65Å; H589-L616 HydrophobicContact CB-CD1 4.27Å; H589-F635 AromaticContact CD2-CD2 3.88Å; H589-F635 AromaticContact CD2-CE1 3.83Å; H589-F635 AromaticContact CD2-CE2 3.31Å; H589-F635 WeakPolarHBondContact CD2-CE2 3.49Å; H589-F635 AromaticContact CD2-CZ 3.28Å; H589-F635 WeakPolarHBondContact CD2-CZ 3.25Å; H589-F635 PolarHBondContact CE1-O 2.92Å; H589-F635 AromaticContact NE2-CD1 3.92Å; H589-F635 AromaticContact NE2-CD2 3.66Å; H589-F635 AromaticContact NE2-CE1 3.8Å; H589-F635 AromaticContact NE2-CE2 3.59Å; H589-F635 AromaticContact NE2-CG 3.86Å; H589-F635 AromaticContact NE2-CZ 3.67Å; H589-F635 PolarHBondContact NE2-O 3.48Å | ||
| 590 | S | 68.5 | Low | 72.9 | Confident | 46 Ų | 46 | 55.3 Ų | 55.3 | 32% | 0.322 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -70.7 | 86.7 | 178.4 | 59.9 | 0 | 0 | 0 | 0 | 111.3 | N588 D592 | N588-S590 PolarHBondContact O-N 3.4Å; S590-D592 VanDerWaalsContact C-N 3.25Å; S590-D592 PolarHBondContact O-N 3.01Å |
| 591 | L | 59.2 | Low | 71.5 | Confident | 23 Ų | 23 | 51.6 Ų | 51.6 | 12% | 0.12 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 59.5 | -46.5 | 152 | -77.3 | 153.8 | 0 | 0 | 0 | 119.6 | H589 Q593 F594 R599 | H589-L591 VanDerWaalsContact C-N 3.33Å; H589-L591 PolarHBondContact O-N 3.45Å; L591-Q593 PolarHBondContact O-N 2.93Å; L591-F594 PolarHBondContact O-N 2.65Å; L591-R599 HydrophobicContact CD1-CG 4.35Å; L591-R599 HydrophobicContact CD2-CG 4.07Å |
| 592 | D | 61.1 | Low | 70.4 | Confident | 145 Ų | 145 | 53.5 Ų | 53.5 | 78% | 0.775 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -69.1 | -18.2 | -171.2 | -63.3 | -25.7 | 0 | 0 | 0 | 112.6 | S590 | S590-D592 VanDerWaalsContact C-N 3.25Å; S590-D592 PolarHBondContact O-N 3.01Å |
| 593 | Q | 59.7 | Low | 69.2 | Low | 39 Ų | 39 | 55.6 Ų | 55.6 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -91 | -31.3 | -177.8 | -59.8 | -160.4 | -11.7 | 0 | 0 | 114.3 | K547 Y584 N588 L591 L595 | K547-Q593 WeakPolarHBondContact CG-O 3.39Å; Y584-Q593 VanDerWaalsContact CE1-CD 3.5Å; Y584-Q593 VanDerWaalsContact CE1-NE2 3.26Å; Y584-Q593 PolarHBondContact OH-NE2 3.28Å; N588-Q593 HydrophobicContact CB-CG 4.36Å; N588-Q593 PolarHBondContact O-OE1 3.35Å; L591-Q593 PolarHBondContact O-N 2.93Å; Q593-L595 PolarHBondContact O-N 2.98Å |
| 594 | F | 65 | Low | 68.1 | Low | 8 Ų | 8 | 55.7 Ų | 55.7 | 4% | 0.035 | 29% | 0.291 | C | S | . | . | trans | -102.6 | 75.6 | -178.1 | -62.6 | -70.9 | 0 | 0 | 0 | 108.8 | L543 L546 V585 L591 A596 L597 S598 L612 | L543-F594 HydrophobicContact CD2-CE1 4.39Å; L546-F594 HydrophobicContact CB-CD1 3.74Å; L546-F594 HydrophobicContact CB-CE1 3.92Å; L546-F594 HydrophobicContact CD1-CE1 4.25Å; V585-F594 HydrophobicContact CG1-CE2 4.22Å; V585-F594 HydrophobicContact CG1-CZ 3.79Å; V585-F594 HydrophobicContact CG2-CZ 4.11Å; L591-F594 PolarHBondContact O-N 2.65Å; F594-A596 PolarHBondContact O-N 2.85Å; F594-A596 VanDerWaalsContact O-N 3.07Å; F594-L597 HydrophobicContact CB-CB 4.02Å; F594-L597 HydrophobicContact CB-CD1 4.25Å; F594-L597 HydrophobicContact CB-CG 4.44Å; F594-L597 CarbonylContact O-C 3.46Å; F594-L597 WeakPolarHBondContact O-CA 3.48Å; F594-L597 PolarHBondContact O-N 3.06Å; F594-S598 PolarHBondContact O-N 3.11Å; F594-L612 HydrophobicContact CD2-CD2 4.48Å | ||
| 595 | L | 56 | Low | 67.3 | Low | 95 Ų | 95 | 49.4 Ų | 49.4 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -50.3 | -36.8 | -179.2 | -67.7 | 171.3 | 0 | 0 | 0 | 111.8 | V550 Q593 L597 S598 | V550-L595 HydrophobicContact CG2-CB 4.05Å; Q593-L595 PolarHBondContact O-N 2.98Å; L595-L597 PolarHBondContact O-N 3.31Å; L595-S598 VanDerWaalsContact O-CB 3.28Å; L595-S598 WeakPolarHBondContact O-CB 3.16Å; L595-S598 PolarHBondContact O-N 2.97Å; L595-S598 PolarHBondContact O-OG 3.39Å |
| 596 | A | 58.3 | Low | 66.6 | Low | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -65.4 | -22.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L546 V550 I556 F594 | L546-A596 WeakPolarHBondContact O-CB 3.42Å; V550-A596 HydrophobicContact CG2-CB 4.3Å; I556-A596 HydrophobicContact CD1-CB 3.73Å; I556-A596 HydrophobicContact CG1-CB 4.38Å; F594-A596 PolarHBondContact O-N 2.85Å; F594-A596 VanDerWaalsContact O-N 3.07Å |
| 597 | L | 58.6 | Low | 66.4 | Low | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -112.3 | 11.3 | 178.6 | -62.6 | 174.2 | 0 | 0 | 0 | 112.4 | I556 F594 L595 L608 R609 L612 | I556-L597 HydrophobicContact CG2-CD2 3.87Å; I556-L597 HydrophobicContact CG2-CG 4.42Å; F594-L597 HydrophobicContact CB-CB 4.02Å; F594-L597 HydrophobicContact CB-CD1 4.25Å; F594-L597 HydrophobicContact CB-CG 4.44Å; F594-L597 CarbonylContact O-C 3.46Å; F594-L597 WeakPolarHBondContact O-CA 3.48Å; F594-L597 PolarHBondContact O-N 3.06Å; L595-L597 PolarHBondContact O-N 3.31Å; L597-L608 HydrophobicContact CD2-CB 3.81Å; L597-R609 HydrophobicContact CB-CG 4.27Å; L597-R609 HydrophobicContact CD2-CG 4.36Å; L597-R609 PolarHBondContact O-NH1 3.24Å; L597-L612 HydrophobicContact CD1-CD2 3.5Å |
| 598 | S | 61.7 | Low | 66.4 | Low | 16 Ų | 16 | 51 Ų | 51 | 11% | 0.112 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -73.1 | 167.8 | -173.8 | 70.1 | 0 | 0 | 0 | 0 | 113.1 | F594 L595 D600 G601 | F594-S598 PolarHBondContact O-N 3.11Å; L595-S598 VanDerWaalsContact O-CB 3.28Å; L595-S598 WeakPolarHBondContact O-CB 3.16Å; L595-S598 PolarHBondContact O-N 2.97Å; L595-S598 PolarHBondContact O-OG 3.39Å; S598-D600 PolarHBondContact O-N 2.88Å; S598-G601 PolarHBondContact O-N 2.95Å |
| 599 | R | 56.1 | Low | 66.4 | Low | 98 Ų | 98 | 48.2 Ų | 48.2 | 37% | 0.37 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -23.9 | 176.5 | -70.5 | -177 | -178.4 | 176.4 | 0.8 | 112.7 | L591 G601 K665 | L591-R599 HydrophobicContact CD1-CG 4.35Å; L591-R599 HydrophobicContact CD2-CG 4.07Å; R599-G601 VanDerWaalsContact C-N 3.29Å; R599-K665 WeakPolarHBondContact O-CD 3.33Å; R599-K665 PolarHBondContact O-NZ 2.98Å |
| 600 | D | 56.6 | Low | 66.8 | Low | 144 Ų | 144 | 48.6 Ų | 48.6 | 77% | 0.77 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -11.7 | 180 | -64.4 | -36.7 | 0 | 0 | 0 | 112.9 | S598 | S598-D600 PolarHBondContact O-N 2.88Š|
| 601 | G | 59.8 | Low | 67.8 | Low | 12 Ų | 12 | 47.8 Ų | 47.8 | 12% | 0.124 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -69 | 167.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S598 R599 | S598-G601 PolarHBondContact O-N 2.95Å; R599-G601 VanDerWaalsContact C-N 3.29Å |
| 602 | D | 64.7 | Low | 69.3 | Low | 87 Ų | 87 | 46.9 Ų | 46.9 | 47% | 0.465 | 24% | 0.239 | S | C | . | . | trans | -57.8 | 140.7 | 173.3 | -171.3 | -2.6 | 0 | 0 | 0 | 110.5 | K604 T605 | D602-K604 PolarHBondContact O-N 3.26Å; D602-K604 PolarHBondContact OD1-N 3.23Å; D602-T605 PolarHBondContact O-N 2.78Å; D602-T605 PolarHBondContact O-OG1 3.13Å | ||
| 603 | L | 64.2 | Low | 70.8 | Confident | 43 Ų | 43 | 40.1 Ų | 40.1 | 23% | 0.225 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -21.5 | 175.2 | -79.3 | 148.1 | 0 | 0 | 0 | 112.3 | L606 T668 | L603-L606 HydrophobicContact CD2-CD1 4.07Å; L603-T668 HydrophobicContact CD2-CG2 3.82Å |
| 604 | K | 65.8 | Low | 72.4 | Confident | 114 Ų | 114 | 41 Ų | 41 | 50% | 0.496 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -42.4 | 173.7 | -64.1 | -179.8 | -173.1 | 167 | 0 | 113.4 | E553 D602 L606 K607 | E553-K604 WeakPolarHBondContact OE1-CB 3.45Å; D602-K604 PolarHBondContact O-N 3.26Å; D602-K604 PolarHBondContact OD1-N 3.23Å; K604-L606 PolarHBondContact O-N 3.18Å; K604-K607 VanDerWaalsContact O-CB 3.29Å; K604-K607 WeakPolarHBondContact O-CB 3.17Å; K604-K607 VanDerWaalsContact O-CG 3.29Å; K604-K607 WeakPolarHBondContact O-CG 3.35Å; K604-K607 PolarHBondContact O-N 3.24Å |
| 605 | T | 70.8 | Confident | 73.6 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 3% | 0.025 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -25.8 | 179.7 | 65.1 | 0 | 0 | 0 | 0 | 111.7 | E553 D602 K607 L608 | E553-T605 HydrophobicContact CG-CG2 4.08Å; D602-T605 PolarHBondContact O-N 2.78Å; D602-T605 PolarHBondContact O-OG1 3.13Å; T605-K607 PolarHBondContact O-N 2.92Å; T605-L608 WeakPolarHBondContact O-CB 3.47Å; T605-L608 PolarHBondContact O-N 3.09Å |
| 606 | L | 74 | Confident | 75.4 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59 | -19.3 | 172.7 | -61.3 | 179.9 | 0 | 0 | 0 | 113.5 | L603 K604 L608 R609 T668 A669 | L603-L606 HydrophobicContact CD2-CD1 4.07Å; K604-L606 PolarHBondContact O-N 3.18Å; L606-L608 VanDerWaalsContact C-N 3.28Å; L606-L608 PolarHBondContact O-N 2.84Å; L606-R609 VanDerWaalsContact CD2-CD 3.45Å; L606-R609 WeakPolarHBondContact O-CB 3.33Å; L606-R609 PolarHBondContact O-N 3.03Å; L606-T668 HydrophobicContact CD1-CG2 3.94Å; L606-A669 HydrophobicContact CD2-CB 4.27Å |
| 607 | K | 81.4 | Confident | 77 | Confident | 110 Ų | 110 | 36.1 Ų | 36.1 | 48% | 0.478 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.4 | -36 | 173.4 | -66.5 | 174.1 | -173.3 | 166.1 | 0 | 112.1 | K604 T605 R609 T610 | K604-K607 VanDerWaalsContact O-CB 3.29Å; K604-K607 WeakPolarHBondContact O-CB 3.17Å; K604-K607 VanDerWaalsContact O-CG 3.29Å; K604-K607 WeakPolarHBondContact O-CG 3.35Å; K604-K607 PolarHBondContact O-N 3.24Å; T605-K607 PolarHBondContact O-N 2.92Å; K607-R609 PolarHBondContact O-N 3.48Å; K607-T610 WeakPolarHBondContact O-CB 3.37Å; K607-T610 PolarHBondContact O-N 3.13Å |
| 608 | L | 85.6 | Confident | 78.5 | Confident | 19 Ų | 19 | 37.7 Ų | 37.7 | 10% | 0.099 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.5 | -22.8 | -178.5 | -59 | 177.3 | 0 | 0 | 0 | 111.6 | E553 I556 L557 I560 L597 T605 L606 T610 A611 L612 | E553-L608 HydrophobicContact CB-CD1 4.49Å; I556-L608 HydrophobicContact CB-CD1 3.68Å; I556-L608 HydrophobicContact CD1-CD1 4.39Å; I556-L608 HydrophobicContact CG2-CB 4.29Å; I556-L608 HydrophobicContact CG2-CD1 3.47Å; I556-L608 VanDerWaalsContact CG2-CD1 3.47Å; I556-L608 HydrophobicContact CG2-CG 4.47Å; L557-L608 HydrophobicContact CB-CD2 3.89Å; L557-L608 HydrophobicContact CD1-CD2 3.83Å; L557-L608 HydrophobicContact CG-CD2 4.37Å; I560-L608 HydrophobicContact CD1-CB 3.93Å; I560-L608 WeakPolarHBondContact CD1-O 3.3Å; L597-L608 HydrophobicContact CD2-CB 3.81Å; T605-L608 WeakPolarHBondContact O-CB 3.47Å; T605-L608 PolarHBondContact O-N 3.09Å; L606-L608 VanDerWaalsContact C-N 3.28Å; L606-L608 PolarHBondContact O-N 2.84Å; L608-T610 VanDerWaalsContact C-N 3.28Å; L608-T610 PolarHBondContact O-N 2.99Å; L608-A611 PolarHBondContact O-N 2.81Å; L608-A611 VanDerWaalsContact O-N 3.14Å; L608-L612 PolarHBondContact O-N 3.36Å |
| 609 | R | 85.9 | Confident | 79.8 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 1% | 0.011 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60 | -37.2 | 173 | -59.6 | 178.3 | 63.1 | 77.3 | 3.3 | 112.4 | L597 L606 K607 A611 L612 Y613 D673 | L597-R609 HydrophobicContact CB-CG 4.27Å; L597-R609 HydrophobicContact CD2-CG 4.36Å; L597-R609 PolarHBondContact O-NH1 3.24Å; L606-R609 VanDerWaalsContact CD2-CD 3.45Å; L606-R609 WeakPolarHBondContact O-CB 3.33Å; L606-R609 PolarHBondContact O-N 3.03Å; K607-R609 PolarHBondContact O-N 3.48Å; R609-A611 VanDerWaalsContact C-N 3.31Å; R609-A611 PolarHBondContact O-N 3.23Å; R609-L612 PolarHBondContact O-N 3.19Å; R609-Y613 HydrophobicContact CB-CD2 4.48Å; R609-Y613 PolarHBondContact NH2-OH 2.77Å; R609-Y613 WeakPolarHBondContact O-CD2 3.16Å; R609-Y613 PolarHBondContact O-N 3.31Å; R609-D673 WeakPolarHBondContact CB-OD1 3.49Å; R609-D673 IonicContact CZ-OD1 3.5Å; R609-D673 VanDerWaalsContact CZ-OD1 3.31Å; R609-D673 IonicContact CZ-OD2 2.79Å; R609-D673 IonicContact NE-OD1 2.76Å; R609-D673 PolarHBondContact NE-OD1 3.2Å; R609-D673 IonicContact NE-OD2 3.96Å; R609-D673 VanDerWaalsContact NH2-CG 3.3Å; R609-D673 IonicContact NH2-OD1 3.06Å; R609-D673 PolarHBondContact NH2-OD1 3.06Å; R609-D673 IonicContact NH2-OD2 3.78Å; R609-D673 PolarHBondContact NH2-OD2 3.2Å |
| 610 | T | 90.5 | Very high | 81.3 | Confident | 13 Ų | 13 | 32.3 Ų | 32.3 | 8% | 0.08 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.1 | -45.8 | 175.2 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | K607 L608 E614 R672 R675 G676 | K607-T610 WeakPolarHBondContact O-CB 3.37Å; K607-T610 PolarHBondContact O-N 3.13Å; L608-T610 VanDerWaalsContact C-N 3.28Å; L608-T610 PolarHBondContact O-N 2.99Å; T610-E614 VanDerWaalsContact O-CB 3.27Å; T610-E614 WeakPolarHBondContact O-CB 3.26Å; T610-E614 PolarHBondContact O-N 3.11Å; T610-R672 WeakPolarHBondContact CA-O 3.4Å; T610-R672 WeakPolarHBondContact OG1-CD 3.47Å; T610-R672 PolarHBondContact OG1-O 3.02Å; T610-R675 HydrophobicContact CG2-CB 4.39Å; T610-R675 HydrophobicContact CG2-CG 4.14Å; T610-G676 VanDerWaalsContact O-CA 3.27Å; T610-G676 WeakPolarHBondContact O-CA 3.36Å |
| 611 | A | 90.1 | Very high | 82.8 | Confident | 29 Ų | 29 | 26.9 Ų | 26.9 | 24% | 0.24 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.7 | -37.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I560 L608 R609 T615 | I560-A611 HydrophobicContact CG2-CB 3.86Å; L608-A611 PolarHBondContact O-N 2.81Å; L608-A611 VanDerWaalsContact O-N 3.14Å; R609-A611 VanDerWaalsContact C-N 3.31Å; R609-A611 PolarHBondContact O-N 3.23Å; A611-T615 WeakPolarHBondContact O-CB 3.37Å; A611-T615 PolarHBondContact O-N 3.44Å; A611-T615 PolarHBondContact O-OG1 3.49Å |
| 612 | L | 90.4 | Very high | 83.7 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.3 | -52.1 | 175.2 | 179.9 | 65.1 | 0 | 0 | 0 | 111.4 | L546 I560 L563 F594 L597 L608 R609 E614 T615 L616 | L546-L612 HydrophobicContact CD1-CD1 4.41Å; I560-L612 HydrophobicContact CD1-CB 4.14Å; L563-L612 HydrophobicContact CD2-CD1 4.37Å; F594-L612 HydrophobicContact CD2-CD2 4.48Å; L597-L612 HydrophobicContact CD1-CD2 3.5Å; L608-L612 PolarHBondContact O-N 3.36Å; R609-L612 PolarHBondContact O-N 3.19Å; L612-E614 VanDerWaalsContact C-N 3.32Å; L612-E614 PolarHBondContact O-N 3.49Å; L612-T615 WeakPolarHBondContact O-CB 3.47Å; L612-T615 PolarHBondContact O-N 2.87Å; L612-T615 VanDerWaalsContact O-N 3.13Å; L612-L616 HydrophobicContact CD1-CD1 4.17Å; L612-L616 HydrophobicContact CD1-CG 4.14Å; L612-L616 HydrophobicContact CD2-CD1 4.5Å; L612-L616 HydrophobicContact CG-CD1 3.98Å; L612-L616 HydrophobicContact CG-CG 4.31Å; L612-L616 WeakPolarHBondContact O-CG 3.27Å; L612-L616 PolarHBondContact O-N 3.48Å |
| 613 | Y | 92.3 | Very high | 84.3 | Confident | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65 | -36.2 | 179.6 | -85.9 | -84.1 | 0 | 0 | 0 | 112.3 | H589 R609 T615 L616 V617 F635 L639 D673 V677 | H589-Y613 AromaticContact CD2-CE1 3.65Å; R609-Y613 HydrophobicContact CB-CD2 4.48Å; R609-Y613 PolarHBondContact NH2-OH 2.77Å; R609-Y613 WeakPolarHBondContact O-CD2 3.16Å; R609-Y613 PolarHBondContact O-N 3.31Å; Y613-T615 VanDerWaalsContact C-N 3.29Å; Y613-T615 PolarHBondContact O-N 3.38Å; Y613-L616 PolarHBondContact O-N 3.28Å; Y613-V617 VanDerWaalsContact O-CB 3.32Å; Y613-V617 WeakPolarHBondContact O-CB 3.3Å; Y613-V617 WeakPolarHBondContact O-CG2 3.38Å; Y613-V617 PolarHBondContact O-N 2.89Å; Y613-F635 HydrophobicContact CD1-CE1 4.18Å; Y613-F635 HydrophobicContact CD1-CZ 4.18Å; Y613-F635 HydrophobicContact CE1-CE1 4.37Å; Y613-F635 HydrophobicContact CE1-CZ 4.33Å; Y613-L639 HydrophobicContact CE1-CD1 4.17Å; Y613-L639 HydrophobicContact CE1-CD2 4.48Å; Y613-D673 HydrophobicContact CD2-CB 3.76Å; Y613-D673 WeakPolarHBondContact CD2-OD1 3.41Å; Y613-D673 HydrophobicContact CE1-CB 4.38Å; Y613-D673 HydrophobicContact CE2-CB 3.59Å; Y613-D673 WeakPolarHBondContact CE2-OD1 3.29Å; Y613-D673 WeakPolarHBondContact CE2-OD2 3.44Å; Y613-D673 HydrophobicContact CG-CB 4.23Å; Y613-D673 PolarHBondContact OH-OD2 2.79Å; Y613-V677 HydrophobicContact CD1-CG2 3.88Å; Y613-V677 HydrophobicContact CG-CG2 4.44Å |
| 614 | E | 92.7 | Very high | 84.9 | Confident | 56 Ų | 56 | 28 Ų | 28 | 26% | 0.262 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -57.1 | -46.5 | 171.7 | -172.5 | -171.6 | 141.9 | 0 | 0 | 110.6 | K564 T610 L612 S618 G676 A679 S680 | K564-E614 IonicContact NZ-OE1 2.83Å; K564-E614 PolarHBondContact NZ-OE1 2.95Å; T610-E614 VanDerWaalsContact O-CB 3.27Å; T610-E614 WeakPolarHBondContact O-CB 3.26Å; T610-E614 PolarHBondContact O-N 3.11Å; L612-E614 VanDerWaalsContact C-N 3.32Å; L612-E614 PolarHBondContact O-N 3.49Å; E614-S618 WeakPolarHBondContact O-CB 3.15Å; E614-S618 PolarHBondContact O-N 2.9Å; E614-G676 VanDerWaalsContact CA-O 3.26Å; E614-G676 WeakPolarHBondContact CA-O 3.43Å; E614-A679 HydrophobicContact CG-CB 4.1Å; E614-S680 VanDerWaalsContact C-OG 3.28Å; E614-S680 VanDerWaalsContact CA-OG 3.28Å; E614-S680 WeakPolarHBondContact CA-OG 3.24Å; E614-S680 WeakPolarHBondContact CG-OG 3.36Å; E614-S680 PolarHBondContact O-OG 3.38Å |
| 615 | T | 91.2 | Very high | 85.4 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.7 | -48.6 | 178.9 | -57.1 | 0 | 0 | 0 | 0 | 112.4 | L563 K564 A611 L612 Y613 S618 M619 | L563-T615 HydrophobicContact CB-CG2 4.43Å; L563-T615 HydrophobicContact CD2-CG2 4.15Å; L563-T615 HydrophobicContact CG-CG2 3.9Å; K564-T615 HydrophobicContact CB-CG2 4Å; A611-T615 WeakPolarHBondContact O-CB 3.37Å; A611-T615 PolarHBondContact O-N 3.44Å; A611-T615 PolarHBondContact O-OG1 3.49Å; L612-T615 WeakPolarHBondContact O-CB 3.47Å; L612-T615 PolarHBondContact O-N 2.87Å; L612-T615 VanDerWaalsContact O-N 3.13Å; Y613-T615 VanDerWaalsContact C-N 3.29Å; Y613-T615 PolarHBondContact O-N 3.38Å; T615-S618 PolarHBondContact O-N 3.07Å; T615-M619 HydrophobicContact CG2-CE 4.02Å; T615-M619 PolarHBondContact O-N 3.49Å; T615-M619 VanDerWaalsContact O-N 3.16Å |
| 616 | L | 92 | Very high | 85.7 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.5 | -45.4 | -179.3 | -67.7 | 179 | 0 | 0 | 0 | 112.2 | M582 V585 H589 L612 Y613 M619 V620 F635 | M582-L616 HydrophobicContact CE-CD2 3.92Å; V585-L616 HydrophobicContact CG1-CD2 4Å; H589-L616 HydrophobicContact CB-CD1 4.27Å; L612-L616 HydrophobicContact CD1-CD1 4.17Å; L612-L616 HydrophobicContact CD1-CG 4.14Å; L612-L616 HydrophobicContact CD2-CD1 4.5Å; L612-L616 HydrophobicContact CG-CD1 3.98Å; L612-L616 HydrophobicContact CG-CG 4.31Å; L612-L616 WeakPolarHBondContact O-CG 3.27Å; L612-L616 PolarHBondContact O-N 3.48Å; Y613-L616 PolarHBondContact O-N 3.28Å; L616-M619 HydrophobicContact CD2-CE 3.77Å; L616-M619 PolarHBondContact O-N 3.08Å; L616-V620 WeakPolarHBondContact O-CG2 3.39Å; L616-V620 PolarHBondContact O-N 3.17Å; L616-F635 HydrophobicContact CB-CE2 4.26Å; L616-F635 HydrophobicContact CB-CZ 3.96Å |
| 617 | V | 92.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.2 | -39.7 | 179.5 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | Y613 M619 V620 C621 F635 V677 L681 | Y613-V617 VanDerWaalsContact O-CB 3.32Å; Y613-V617 WeakPolarHBondContact O-CB 3.3Å; Y613-V617 WeakPolarHBondContact O-CG2 3.38Å; Y613-V617 PolarHBondContact O-N 2.89Å; V617-M619 VanDerWaalsContact C-N 3.29Å; V617-M619 PolarHBondContact O-N 3.02Å; V617-V620 PolarHBondContact O-N 3.13Å; V617-V620 VanDerWaalsContact O-N 3.14Å; V617-C621 WeakPolarHBondContact O-CB 3.5Å; V617-C621 PolarHBondContact O-N 3.16Å; V617-C621 PolarHBondContact O-SG 3.11Å; V617-F635 HydrophobicContact CG2-CD1 4.06Å; V617-F635 HydrophobicContact CG2-CE1 3.34Å; V617-F635 HydrophobicContact CG2-CZ 3.88Å; V617-V677 HydrophobicContact CG2-CB 4.17Å; V617-V677 HydrophobicContact CG2-CG1 4.21Å; V617-V677 HydrophobicContact CG2-CG2 3.87Å; V617-L681 HydrophobicContact CG1-CD2 3.63Å; V617-L681 HydrophobicContact CG1-CG 4.43Å |
| 618 | S | 90.3 | Very high | 86.5 | Confident | 33 Ų | 33 | 36 Ų | 36 | 23% | 0.231 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -53.9 | -47.9 | 174.3 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | E614 T615 C621 Y622 | E614-S618 WeakPolarHBondContact O-CB 3.15Å; E614-S618 PolarHBondContact O-N 2.9Å; T615-S618 PolarHBondContact O-N 3.07Å; S618-C621 PolarHBondContact O-N 2.62Å; S618-Y622 WeakPolarHBondContact O-CD2 3.44Å; S618-Y622 PolarHBondContact O-N 3.23Å |
| 619 | M | 88.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.4 | -49.6 | 174.3 | -73.9 | -174.1 | -74.5 | 0 | 0 | 112.7 | L563 S567 L576 L577 M582 T615 L616 V617 C621 Y622 | L563-M619 HydrophobicContact CG-CE 4.5Å; S567-M619 VanDerWaalsContact CB-SD 3.5Å; L576-M619 HydrophobicContact CB-SD 4.33Å; L576-M619 HydrophobicContact CD1-SD 4.01Å; L577-M619 HydrophobicContact CD1-CB 4.35Å; L577-M619 WeakPolarHBondContact CD1-O 3.2Å; L577-M619 HydrophobicContact CD2-CB 4.37Å; L577-M619 HydrophobicContact CG-CB 4.35Å; M582-M619 HydrophobicContact CE-CE 3.5Å; M582-M619 HydrophobicContact CE-SD 4.06Å; T615-M619 HydrophobicContact CG2-CE 4.02Å; T615-M619 PolarHBondContact O-N 3.49Å; T615-M619 VanDerWaalsContact O-N 3.16Å; L616-M619 HydrophobicContact CD2-CE 3.77Å; L616-M619 PolarHBondContact O-N 3.08Å; V617-M619 VanDerWaalsContact C-N 3.29Å; V617-M619 PolarHBondContact O-N 3.02Å; M619-C621 PolarHBondContact O-N 3.23Å; M619-Y622 PolarHBondContact O-N 3.36Å; M619-Y622 VanDerWaalsContact O-N 3.13Å |
| 620 | V | 88.1 | Confident | 86.7 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.5 | -28.3 | -178.1 | 171.9 | 0 | 0 | 0 | 0 | 112.1 | V586 L616 V617 V623 R631 F635 | V586-V620 HydrophobicContact CG1-CG2 3.92Å; V586-V620 HydrophobicContact CG2-CG2 4.32Å; L616-V620 WeakPolarHBondContact O-CG2 3.39Å; L616-V620 PolarHBondContact O-N 3.17Å; V617-V620 PolarHBondContact O-N 3.13Å; V617-V620 VanDerWaalsContact O-N 3.14Å; V620-V623 WeakPolarHBondContact O-CG2 3.43Å; V620-R631 HydrophobicContact CG1-CG 4.13Å; V620-F635 HydrophobicContact CG2-CD2 4.14Å; V620-F635 HydrophobicContact CG2-CE2 4.34Å |
| 621 | C | 86.8 | Confident | 86.6 | Confident | 31 Ų | 31 | 44.1 Ų | 44.1 | 21% | 0.209 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -78.2 | -13.2 | 177.3 | -71.8 | 0 | 0 | 0 | 0 | 114.1 | V617 S618 M619 V623 L628 | V617-C621 WeakPolarHBondContact O-CB 3.5Å; V617-C621 PolarHBondContact O-N 3.16Å; V617-C621 PolarHBondContact O-SG 3.11Å; S618-C621 PolarHBondContact O-N 2.62Å; M619-C621 PolarHBondContact O-N 3.23Å; C621-V623 PolarHBondContact O-N 3.32Å; C621-L628 HydrophobicContact CB-CD1 4.34Å |
| 622 | Y | 80.6 | Confident | 86.7 | Confident | 83 Ų | 83 | 42.7 Ų | 42.7 | 33% | 0.325 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -78.9 | 60.4 | 174.1 | -77.2 | -66.5 | 0 | 0 | 0 | 112.1 | Y570 S573 S618 M619 | Y570-Y622 HydrophobicContact CD2-CD1 4.09Å; Y570-Y622 HydrophobicContact CD2-CG 4.46Å; Y570-Y622 WeakPolarHBondContact CE2-O 3.38Å; S573-Y622 WeakPolarHBondContact OG-CD2 3.28Å; S618-Y622 WeakPolarHBondContact O-CD2 3.44Å; S618-Y622 PolarHBondContact O-N 3.23Å; M619-Y622 PolarHBondContact O-N 3.36Å; M619-Y622 VanDerWaalsContact O-N 3.13Å |
| 623 | V | 77.2 | Confident | 86.8 | Confident | 22 Ų | 22 | 46.9 Ų | 46.9 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -134.4 | 163.4 | -178.1 | -173 | 0 | 0 | 0 | 0 | 108.9 | V620 C621 E627 | V620-V623 WeakPolarHBondContact O-CG2 3.43Å; C621-V623 PolarHBondContact O-N 3.32Å; V623-E627 HydrophobicContact CG1-CB 3.87Å |
| 624 | S | 75.8 | Confident | 86.8 | Confident | 59 Ų | 59 | 53.6 Ų | 53.6 | 41% | 0.413 | 27% | 0.266 | S | S | . | . | trans | -56.1 | 144.1 | 168.5 | 47 | 0 | 0 | 0 | 0 | 111.4 | E626 E627 L628 | S624-E626 PolarHBondContact O-N 2.86Å; S624-E626 VanDerWaalsContact O-N 3.12Å; S624-E627 PolarHBondContact O-N 3.4Å; S624-L628 PolarHBondContact O-N 3.19Å | ||
| 625 | D | 75.9 | Confident | 86.7 | Confident | 103 Ų | 103 | 51.2 Ų | 51.2 | 55% | 0.551 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59 | -26 | -178.4 | -70.2 | -31.9 | 0 | 0 | 0 | 113.2 | Q685 | D625-Q685 PolarHBondContact O-NE2 3.05Å |
| 626 | E | 78.1 | Confident | 86.8 | Confident | 177 Ų | 177 | 51.2 Ų | 51.2 | 83% | 0.827 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -67.4 | -41.7 | 179.2 | -63.6 | -176.4 | 174.3 | 0 | 0 | 112.7 | S624 | S624-E626 PolarHBondContact O-N 2.86Å; S624-E626 VanDerWaalsContact O-N 3.12Å |
| 627 | E | 84.1 | Confident | 86.8 | Confident | 115 Ų | 115 | 59.8 Ų | 59.8 | 54% | 0.537 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -89.6 | -14.8 | -178.4 | -63.7 | 180 | -179.4 | 0 | 0 | 112.8 | V623 S624 S629 D630 R631 | V623-E627 HydrophobicContact CG1-CB 3.87Å; S624-E627 PolarHBondContact O-N 3.4Å; E627-S629 PolarHBondContact O-N 2.97Å; E627-D630 PolarHBondContact O-N 3.45Å; E627-R631 WeakPolarHBondContact O-CB 3.3Å; E627-R631 PolarHBondContact O-N 3.46Å |
| 628 | L | 86.8 | Confident | 86.8 | Confident | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.1 | -46.3 | -171.5 | -179.7 | 61.1 | 0 | 0 | 0 | 112.8 | C621 S624 L632 A686 | C621-L628 HydrophobicContact CB-CD1 4.34Å; S624-L628 PolarHBondContact O-N 3.19Å; L628-L632 WeakPolarHBondContact O-CB 3.28Å; L628-L632 PolarHBondContact O-N 2.8Å; L628-A686 HydrophobicContact CD2-CB 4.02Å; L628-A686 HydrophobicContact CG-CB 4.41Å |
| 629 | S | 87.2 | Confident | 86.8 | Confident | 20 Ų | 20 | 60.5 Ų | 60.5 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.9 | -48.5 | -179.1 | 153.1 | 0 | 0 | 0 | 0 | 111.5 | E627 L632 K633 | E627-S629 PolarHBondContact O-N 2.97Å; S629-L632 PolarHBondContact O-N 3.05Å; S629-K633 WeakPolarHBondContact O-CB 3.48Å; S629-K633 VanDerWaalsContact O-CG 3.25Å; S629-K633 WeakPolarHBondContact O-CG 3.3Å; S629-K633 PolarHBondContact O-N 2.96Å; S629-K633 VanDerWaalsContact OG-CE 3.31Å; S629-K633 WeakPolarHBondContact OG-CE 3.47Å; S629-K633 PolarHBondContact OG-NZ 2.91Å |
| 630 | D | 89.6 | Confident | 87 | Confident | 104 Ų | 104 | 61.7 Ų | 61.7 | 56% | 0.556 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -73.1 | -38.4 | -173.7 | -67.9 | -16.4 | 0 | 0 | 0 | 111.6 | E627 L632 K633 Q634 | E627-D630 PolarHBondContact O-N 3.45Å; D630-L632 VanDerWaalsContact C-N 3.33Å; D630-L632 PolarHBondContact O-N 3.13Å; D630-K633 PolarHBondContact O-N 3.11Å; D630-K633 IonicContact OD1-NZ 3.19Å; D630-Q634 WeakPolarHBondContact O-CB 3.24Å; D630-Q634 PolarHBondContact O-N 3.5Å |
| 631 | R | 88.5 | Confident | 87.3 | Confident | 80 Ų | 80 | 66 Ų | 66 | 30% | 0.302 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64 | -40.4 | 174.4 | -154.5 | 177.7 | -168.9 | 174.6 | 1.9 | 111.7 | V620 E627 Q634 F635 | V620-R631 HydrophobicContact CG1-CG 4.13Å; E627-R631 WeakPolarHBondContact O-CB 3.3Å; E627-R631 PolarHBondContact O-N 3.46Å; R631-Q634 PolarHBondContact O-N 3.4Å; R631-F635 WeakPolarHBondContact O-CB 3.47Å; R631-F635 PolarHBondContact O-N 3.39Å |
| 632 | L | 91.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.3 | -41 | 176.7 | -171.4 | 61.2 | 0 | 0 | 0 | 111.8 | L628 S629 D630 Q634 F635 L636 L681 A686 T689 A690 | L628-L632 WeakPolarHBondContact O-CB 3.28Å; L628-L632 PolarHBondContact O-N 2.8Å; S629-L632 PolarHBondContact O-N 3.05Å; D630-L632 VanDerWaalsContact C-N 3.33Å; D630-L632 PolarHBondContact O-N 3.13Å; L632-Q634 VanDerWaalsContact C-N 3.34Å; L632-Q634 PolarHBondContact O-N 2.82Å; L632-F635 PolarHBondContact O-N 3.11Å; L632-L636 HydrophobicContact CD1-CD1 3.89Å; L632-L636 HydrophobicContact CD1-CG 4.04Å; L632-L636 HydrophobicContact CG-CD1 3.83Å; L632-L636 HydrophobicContact CG-CG 4.3Å; L632-L636 WeakPolarHBondContact O-CB 3.22Å; L632-L636 WeakPolarHBondContact O-CG 3.48Å; L632-L636 PolarHBondContact O-N 3.39Å; L632-L681 HydrophobicContact CD1-CD2 4.3Å; L632-L681 HydrophobicContact CD2-CD2 4.16Å; L632-A686 HydrophobicContact CD2-CB 4.19Å; L632-A686 VanDerWaalsContact CD2-O 3.31Å; L632-A686 WeakPolarHBondContact CD2-O 3.24Å; L632-T689 HydrophobicContact CD2-CG2 4.47Å; L632-A690 HydrophobicContact CD2-CB 4.15Å |
| 633 | K | 92.8 | Very high | 88.1 | Confident | 92 Ų | 92 | 61.8 Ų | 61.8 | 40% | 0.4 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 172.7 | -74.9 | 168.4 | -173.2 | 172.4 | 0 | 111.7 | S629 D630 L636 R637 T689 L693 | S629-K633 WeakPolarHBondContact O-CB 3.48Å; S629-K633 VanDerWaalsContact O-CG 3.25Å; S629-K633 WeakPolarHBondContact O-CG 3.3Å; S629-K633 PolarHBondContact O-N 2.96Å; S629-K633 VanDerWaalsContact OG-CE 3.31Å; S629-K633 WeakPolarHBondContact OG-CE 3.47Å; S629-K633 PolarHBondContact OG-NZ 2.91Å; D630-K633 PolarHBondContact O-N 3.11Å; D630-K633 IonicContact OD1-NZ 3.19Å; K633-L636 PolarHBondContact O-N 2.95Å; K633-R637 PolarHBondContact O-N 2.9Å; K633-R637 VanDerWaalsContact O-N 3.09Å; K633-T689 HydrophobicContact CD-CG2 4.47Å; K633-T689 HydrophobicContact CG-CG2 3.93Å; K633-L693 HydrophobicContact CB-CD1 4.4Å; K633-L693 HydrophobicContact CG-CD1 3.91Å; K633-L693 HydrophobicContact CG-CD2 4.33Å |
| 634 | Q | 91 | Very high | 88.9 | Confident | 144 Ų | 144 | 62.9 Ų | 62.9 | 67% | 0.673 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.5 | -44.8 | 177 | -173.3 | 178.8 | 11.5 | 0 | 0 | 111.4 | D630 R631 L632 R637 | D630-Q634 WeakPolarHBondContact O-CB 3.24Å; D630-Q634 PolarHBondContact O-N 3.5Å; R631-Q634 PolarHBondContact O-N 3.4Å; L632-Q634 VanDerWaalsContact C-N 3.34Å; L632-Q634 PolarHBondContact O-N 2.82Å; Q634-R637 WeakPolarHBondContact O-CB 3.45Å; Q634-R637 PolarHBondContact O-N 3.32Å |
| 635 | F | 91.9 | Very high | 89.6 | Confident | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65 | -40.8 | 178.3 | -177.3 | -93.7 | 0 | 0 | 0 | 112.7 | V586 H589 Y613 L616 V617 V620 R631 L632 R637 P638 | V586-F635 HydrophobicContact CG1-CD2 3.93Å; V586-F635 HydrophobicContact CG1-CE2 4.34Å; H589-F635 AromaticContact CD2-CD2 3.88Å; H589-F635 AromaticContact CD2-CE1 3.83Å; H589-F635 AromaticContact CD2-CE2 3.31Å; H589-F635 WeakPolarHBondContact CD2-CE2 3.49Å; H589-F635 AromaticContact CD2-CZ 3.28Å; H589-F635 WeakPolarHBondContact CD2-CZ 3.25Å; H589-F635 PolarHBondContact CE1-O 2.92Å; H589-F635 AromaticContact NE2-CD1 3.92Å; H589-F635 AromaticContact NE2-CD2 3.66Å; H589-F635 AromaticContact NE2-CE1 3.8Å; H589-F635 AromaticContact NE2-CE2 3.59Å; H589-F635 AromaticContact NE2-CG 3.86Å; H589-F635 AromaticContact NE2-CZ 3.67Å; H589-F635 PolarHBondContact NE2-O 3.48Å; Y613-F635 HydrophobicContact CD1-CE1 4.18Å; Y613-F635 HydrophobicContact CD1-CZ 4.18Å; Y613-F635 HydrophobicContact CE1-CE1 4.37Å; Y613-F635 HydrophobicContact CE1-CZ 4.33Å; L616-F635 HydrophobicContact CB-CE2 4.26Å; L616-F635 HydrophobicContact CB-CZ 3.96Å; V617-F635 HydrophobicContact CG2-CD1 4.06Å; V617-F635 HydrophobicContact CG2-CE1 3.34Å; V617-F635 HydrophobicContact CG2-CZ 3.88Å; V620-F635 HydrophobicContact CG2-CD2 4.14Å; V620-F635 HydrophobicContact CG2-CE2 4.34Å; R631-F635 WeakPolarHBondContact O-CB 3.47Å; R631-F635 PolarHBondContact O-N 3.39Å; L632-F635 PolarHBondContact O-N 3.11Å; F635-R637 VanDerWaalsContact C-N 3.33Å; F635-R637 PolarHBondContact O-N 3.06Å; F635-P638 WeakPolarHBondContact O-CD 3.44Å |
| 636 | L | 93.3 | Very high | 90.3 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -83.6 | -6.9 | -177.5 | -64.2 | 178.4 | 0 | 0 | 0 | 113.9 | L632 K633 L639 T640 V677 A690 L693 | L632-L636 HydrophobicContact CD1-CD1 3.89Å; L632-L636 HydrophobicContact CD1-CG 4.04Å; L632-L636 HydrophobicContact CG-CD1 3.83Å; L632-L636 HydrophobicContact CG-CG 4.3Å; L632-L636 WeakPolarHBondContact O-CB 3.22Å; L632-L636 WeakPolarHBondContact O-CG 3.48Å; L632-L636 PolarHBondContact O-N 3.39Å; K633-L636 PolarHBondContact O-N 2.95Å; L636-L639 HydrophobicContact CD2-CD1 3.91Å; L636-L639 WeakPolarHBondContact O-CB 3.35Å; L636-L639 PolarHBondContact O-N 3.41Å; L636-L639 VanDerWaalsContact O-N 3.09Å; L636-T640 PolarHBondContact O-N 2.84Å; L636-T640 PolarHBondContact O-OG1 3.1Å; L636-V677 HydrophobicContact CD1-CG1 4.46Å; L636-V677 HydrophobicContact CD2-CB 4.45Å; L636-V677 HydrophobicContact CD2-CG1 3.71Å; L636-V677 HydrophobicContact CD2-CG2 3.87Å; L636-A690 HydrophobicContact CD1-CB 3.63Å; L636-L693 HydrophobicContact CB-CD1 4.12Å; L636-L693 HydrophobicContact CD1-CD1 4.04Å |
| 637 | R | 92.6 | Very high | 91 | Very high | 179 Ų | 179 | 52.1 Ų | 52.1 | 68% | 0.675 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -52.7 | -47.1 | -178.9 | -178.2 | -179.4 | 179.7 | -177.7 | 0.5 | 113.4 | K633 Q634 F635 L639 T640 V641 | K633-R637 PolarHBondContact O-N 2.9Å; K633-R637 VanDerWaalsContact O-N 3.09Å; Q634-R637 WeakPolarHBondContact O-CB 3.45Å; Q634-R637 PolarHBondContact O-N 3.32Å; F635-R637 VanDerWaalsContact C-N 3.33Å; F635-R637 PolarHBondContact O-N 3.06Å; R637-L639 VanDerWaalsContact C-N 3.3Å; R637-L639 PolarHBondContact O-N 3.13Å; R637-T640 WeakPolarHBondContact O-CB 3.49Å; R637-T640 PolarHBondContact O-N 3.28Å; R637-V641 WeakPolarHBondContact O-CG2 3.35Å; R637-V641 PolarHBondContact O-N 3.32Å |
| 638 | P | 90.7 | Very high | 91.3 | Very high | 40 Ų | 40 | 51.1 Ų | 51.1 | 26% | 0.26 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.1 | -32.2 | 179.5 | -24 | 37.9 | 0 | 0 | 0 | 113.6 | F635 A642 | F635-P638 WeakPolarHBondContact O-CD 3.44Å; P638-A642 PolarHBondContact O-N 3.45Å |
| 639 | L | 91.8 | Very high | 91.3 | Very high | 9 Ų | 9 | 53 Ų | 53 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70 | -38.3 | 174.9 | -60.2 | -177.5 | 0 | 0 | 0 | 111.3 | Y613 L636 R637 A642 I643 L670 D673 L674 V677 | Y613-L639 HydrophobicContact CE1-CD1 4.17Å; Y613-L639 HydrophobicContact CE1-CD2 4.48Å; L636-L639 HydrophobicContact CD2-CD1 3.91Å; L636-L639 WeakPolarHBondContact O-CB 3.35Å; L636-L639 PolarHBondContact O-N 3.41Å; L636-L639 VanDerWaalsContact O-N 3.09Å; R637-L639 VanDerWaalsContact C-N 3.3Å; R637-L639 PolarHBondContact O-N 3.13Å; L639-A642 PolarHBondContact O-N 3.18Å; L639-I643 WeakPolarHBondContact O-CG1 3.39Å; L639-I643 PolarHBondContact O-N 2.64Å; L639-L670 HydrophobicContact CB-CD1 4.45Å; L639-L670 HydrophobicContact CD2-CD1 4.45Å; L639-D673 HydrophobicContact CD1-CB 4.43Å; L639-D673 HydrophobicContact CD2-CB 4.1Å; L639-L674 HydrophobicContact CD1-CD2 4.03Å; L639-V677 HydrophobicContact CD1-CG2 4.03Å |
| 640 | T | 93.3 | Very high | 91.1 | Very high | 25 Ų | 25 | 54.1 Ų | 54.1 | 15% | 0.153 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 175.6 | -48.5 | 0 | 0 | 0 | 0 | 110.8 | L636 R637 A642 I643 D644 | L636-T640 PolarHBondContact O-N 2.84Å; L636-T640 PolarHBondContact O-OG1 3.1Å; R637-T640 WeakPolarHBondContact O-CB 3.49Å; R637-T640 PolarHBondContact O-N 3.28Å; T640-A642 VanDerWaalsContact C-N 3.31Å; T640-A642 PolarHBondContact O-N 2.85Å; T640-I643 WeakPolarHBondContact O-CB 3.38Å; T640-I643 PolarHBondContact O-N 2.94Å; T640-D644 VanDerWaalsContact O-CG 3.32Å; T640-D644 PolarHBondContact O-N 3.3Å |
| 641 | V | 92.9 | Very high | 90.7 | Very high | 90 Ų | 90 | 52.3 Ų | 52.3 | 55% | 0.545 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.3 | -39 | 174.1 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | R637 D644 G645 | R637-V641 WeakPolarHBondContact O-CG2 3.35Å; R637-V641 PolarHBondContact O-N 3.32Å; V641-D644 PolarHBondContact O-N 2.96Å; V641-G645 PolarHBondContact O-N 3.4Å |
| 642 | A | 90.8 | Very high | 90.3 | Very high | 25 Ų | 25 | 52.4 Ų | 52.4 | 21% | 0.207 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.1 | -38.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | P638 L639 T640 L646 | P638-A642 PolarHBondContact O-N 3.45Å; L639-A642 PolarHBondContact O-N 3.18Å; T640-A642 VanDerWaalsContact C-N 3.31Å; T640-A642 PolarHBondContact O-N 2.85Å; A642-L646 WeakPolarHBondContact O-CG 3.49Å; A642-L646 PolarHBondContact O-N 3.32Å; A642-L646 VanDerWaalsContact O-N 3.11Å |
| 643 | I | 94 | Very high | 88.9 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.1 | -49.1 | 172.9 | -70.4 | 158.1 | 0 | 0 | 0 | 109.9 | L639 T640 L646 Y647 L670 L674 I694 R697 C698 | L639-I643 WeakPolarHBondContact O-CG1 3.39Å; L639-I643 PolarHBondContact O-N 2.64Å; T640-I643 WeakPolarHBondContact O-CB 3.38Å; T640-I643 PolarHBondContact O-N 2.94Å; I643-L646 PolarHBondContact O-N 2.66Å; I643-Y647 VanDerWaalsContact O-CB 3.29Å; I643-Y647 WeakPolarHBondContact O-CB 3.23Å; I643-Y647 PolarHBondContact O-N 3.1Å; I643-L670 HydrophobicContact CD1-CD1 4.32Å; I643-L670 HydrophobicContact CG1-CD1 3.88Å; I643-L670 HydrophobicContact CG1-CD2 3.59Å; I643-L670 HydrophobicContact CG1-CG 4.3Å; I643-L674 HydrophobicContact CD1-CD1 4.39Å; I643-I694 HydrophobicContact CD1-CB 3.95Å; I643-I694 HydrophobicContact CD1-CG2 3.69Å; I643-R697 HydrophobicContact CG2-CB 3.65Å; I643-C698 HydrophobicContact CD1-CB 4.04Å; I643-C698 HydrophobicContact CG1-CB 4.28Å; I643-C698 HydrophobicContact CG2-CB 4.2Å |
| 644 | D | 93.9 | Very high | 87.7 | Confident | 45 Ų | 45 | 59.7 Ų | 59.7 | 24% | 0.241 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | -178.7 | -70.9 | -15.8 | 0 | 0 | 0 | 111.6 | T640 V641 L646 Y647 D648 R697 | T640-D644 VanDerWaalsContact O-CG 3.32Å; T640-D644 PolarHBondContact O-N 3.3Å; V641-D644 PolarHBondContact O-N 2.96Å; D644-L646 PolarHBondContact O-N 3.47Å; D644-Y647 WeakPolarHBondContact O-CB 3.48Å; D644-Y647 PolarHBondContact O-N 3.25Å; D644-Y647 VanDerWaalsContact O-N 3.16Å; D644-D648 VanDerWaalsContact O-CG 3.27Å; D644-D648 PolarHBondContact O-N 2.84Å; D644-R697 WeakPolarHBondContact OD1-CD 3.42Å; D644-R697 IonicContact OD1-CZ 2.81Å; D644-R697 IonicContact OD1-NE 2.89Å; D644-R697 IonicContact OD1-NH1 2.88Å; D644-R697 PolarHBondContact OD1-NH1 3.15Å; D644-R697 IonicContact OD2-NH1 3.92Å; D644-R697 PolarHBondContact OD2-NH1 3.25Å |
| 645 | G | 91.3 | Very high | 86.6 | Confident | 39 Ų | 39 | 54.7 Ų | 54.7 | 40% | 0.402 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.7 | -41.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V641 V649 | V641-G645 PolarHBondContact O-N 3.4Å; G645-V649 VanDerWaalsContact O-CG2 3.3Å; G645-V649 WeakPolarHBondContact O-CG2 3.49Å; G645-V649 PolarHBondContact O-N 3.02Å |
| 646 | L | 91 | Very high | 85.6 | Confident | 12 Ų | 12 | 57.7 Ų | 57.7 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.4 | -37.9 | 174.9 | -73.4 | 169 | 0 | 0 | 0 | 112 | A642 I643 D644 V649 I650 F658 A666 V667 L670 V701 | A642-L646 WeakPolarHBondContact O-CG 3.49Å; A642-L646 PolarHBondContact O-N 3.32Å; A642-L646 VanDerWaalsContact O-N 3.11Å; I643-L646 PolarHBondContact O-N 2.66Å; D644-L646 PolarHBondContact O-N 3.47Å; L646-V649 PolarHBondContact O-N 3.3Å; L646-I650 WeakPolarHBondContact O-CG1 3.45Å; L646-I650 PolarHBondContact O-N 2.67Å; L646-F658 HydrophobicContact CD2-CE2 4.22Å; L646-A666 HydrophobicContact CD1-CB 4.28Å; L646-A666 HydrophobicContact CD2-CB 4.1Å; L646-V667 HydrophobicContact CD1-CG2 3.9Å; L646-V667 HydrophobicContact CD2-CG2 4.15Å; L646-L670 HydrophobicContact CD1-CD2 4.02Å; L646-V701 HydrophobicContact CB-CG1 4.01Å; L646-V701 HydrophobicContact CB-CG2 4.06Å; L646-V701 HydrophobicContact CD1-CG1 4.18Å |
| 647 | Y | 91.3 | Very high | 84.7 | Confident | 61 Ų | 61 | 60.9 Ų | 60.9 | 24% | 0.239 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 177.8 | -179.8 | -94.7 | 0 | 0 | 0 | 112.2 | I643 D644 V649 I650 S651 R697 Q700 | I643-Y647 VanDerWaalsContact O-CB 3.29Å; I643-Y647 WeakPolarHBondContact O-CB 3.23Å; I643-Y647 PolarHBondContact O-N 3.1Å; D644-Y647 WeakPolarHBondContact O-CB 3.48Å; D644-Y647 PolarHBondContact O-N 3.25Å; D644-Y647 VanDerWaalsContact O-N 3.16Å; Y647-V649 VanDerWaalsContact C-N 3.33Å; Y647-V649 PolarHBondContact O-N 3Å; Y647-I650 PolarHBondContact O-N 3.25Å; Y647-S651 WeakPolarHBondContact CE1-OG 3.21Å; Y647-S651 PolarHBondContact O-N 3.41Å; Y647-S651 PolarHBondContact O-OG 3.12Å; Y647-R697 HydrophobicContact CD1-CG 4.4Å; Y647-R697 HydrophobicContact CD2-CB 4.19Å; Y647-R697 HydrophobicContact CD2-CG 4.16Å; Y647-R697 HydrophobicContact CE2-CG 4.44Å; Y647-R697 HydrophobicContact CG-CB 4.31Å; Y647-R697 HydrophobicContact CG-CG 4.14Å; Y647-Q700 HydrophobicContact CD2-CB 4.3Å; Y647-Q700 HydrophobicContact CE2-CB 4.12Å |
| 648 | D | 90.4 | Very high | 84.2 | Confident | 94 Ų | 94 | 52.4 Ų | 52.4 | 50% | 0.503 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 176.4 | -70.5 | -19.5 | 0 | 0 | 0 | 111 | D644 I650 S651 V652 | D644-D648 VanDerWaalsContact O-CG 3.27Å; D644-D648 PolarHBondContact O-N 2.84Å; D648-I650 VanDerWaalsContact C-N 3.32Å; D648-I650 PolarHBondContact O-N 2.99Å; D648-S651 WeakPolarHBondContact O-CB 3.47Å; D648-S651 PolarHBondContact O-N 3.36Å; D648-S651 VanDerWaalsContact O-N 3.11Å; D648-V652 WeakPolarHBondContact O-CG2 3.21Å; D648-V652 PolarHBondContact O-N 3.22Å; D648-V652 VanDerWaalsContact O-N 3.16Å |
| 649 | V | 86.4 | Confident | 83.6 | Confident | 45 Ų | 45 | 52.4 Ų | 52.4 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61 | -39.2 | 175 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | G645 L646 Y647 S651 L657 F658 | G645-V649 VanDerWaalsContact O-CG2 3.3Å; G645-V649 WeakPolarHBondContact O-CG2 3.49Å; G645-V649 PolarHBondContact O-N 3.02Å; L646-V649 PolarHBondContact O-N 3.3Å; Y647-V649 VanDerWaalsContact C-N 3.33Å; Y647-V649 PolarHBondContact O-N 3Å; V649-S651 VanDerWaalsContact C-N 3.33Å; V649-L657 HydrophobicContact CG1-CB 3.93Å; V649-F658 HydrophobicContact CG1-CB 4.05Å; V649-F658 HydrophobicContact CG1-CD2 4.32Å |
| 650 | I | 84.1 | Confident | 83.1 | Confident | 42 Ų | 42 | 56.9 Ų | 56.9 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.8 | -32.6 | 175.8 | -62.3 | 164.5 | 0 | 0 | 0 | 111.6 | L646 Y647 D648 V652 F658 V701 R704 | L646-I650 WeakPolarHBondContact O-CG1 3.45Å; L646-I650 PolarHBondContact O-N 2.67Å; Y647-I650 PolarHBondContact O-N 3.25Å; D648-I650 VanDerWaalsContact C-N 3.32Å; D648-I650 PolarHBondContact O-N 2.99Å; I650-V652 VanDerWaalsContact C-N 3.29Å; I650-V652 PolarHBondContact O-N 3.44Å; I650-F658 HydrophobicContact CD1-CD2 3.94Å; I650-F658 HydrophobicContact CD1-CE1 4.45Å; I650-F658 HydrophobicContact CD1-CE2 3.52Å; I650-F658 HydrophobicContact CD1-CZ 3.79Å; I650-F658 HydrophobicContact CG1-CB 4.47Å; I650-F658 HydrophobicContact CG1-CD1 4.35Å; I650-F658 HydrophobicContact CG1-CD2 3.37Å; I650-F658 HydrophobicContact CG1-CE1 4.47Å; I650-F658 HydrophobicContact CG1-CE2 3.53Å; I650-F658 HydrophobicContact CG1-CG 3.81Å; I650-F658 HydrophobicContact CG1-CZ 4.09Å; I650-V701 HydrophobicContact CD1-CB 4.06Å; I650-V701 HydrophobicContact CD1-CG1 4.24Å; I650-V701 HydrophobicContact CD1-CG2 3.79Å; I650-R704 HydrophobicContact CD1-CB 3.87Å; I650-R704 HydrophobicContact CD1-CG 4.14Å; I650-R704 HydrophobicContact CG1-CB 4.42Å; I650-R704 HydrophobicContact CG1-CG 4.12Å; I650-R704 HydrophobicContact CG2-CB 4.3Å; I650-R704 HydrophobicContact CG2-CG 3.86Å |
| 651 | S | 81.7 | Confident | 82.5 | Confident | 66 Ų | 66 | 60 Ų | 60 | 46% | 0.462 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -73.1 | -21.8 | -178.7 | -59.4 | 0 | 0 | 0 | 0 | 112.8 | Y647 D648 V649 | Y647-S651 WeakPolarHBondContact CE1-OG 3.21Å; Y647-S651 PolarHBondContact O-N 3.41Å; Y647-S651 PolarHBondContact O-OG 3.12Å; D648-S651 WeakPolarHBondContact O-CB 3.47Å; D648-S651 PolarHBondContact O-N 3.36Å; D648-S651 VanDerWaalsContact O-N 3.11Å; V649-S651 VanDerWaalsContact C-N 3.33Å |
| 652 | V | 79.1 | Confident | 82 | Confident | 82 Ų | 82 | 58 Ų | 58 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -75.2 | 123.8 | 168.7 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | D648 I650 D654 | D648-V652 WeakPolarHBondContact O-CG2 3.21Å; D648-V652 PolarHBondContact O-N 3.22Å; D648-V652 VanDerWaalsContact O-N 3.16Å; I650-V652 VanDerWaalsContact C-N 3.29Å; I650-V652 PolarHBondContact O-N 3.44Å; V652-D654 HydrophobicContact CG1-CB 4.32Å; V652-D654 PolarHBondContact O-N 3.04Å |
| 653 | N | 62.9 | Low | 81.7 | Confident | 169 Ų | 169 | 57.7 Ų | 57.7 | 90% | 0.904 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -56.2 | -4.6 | -176.5 | -79.9 | -15.7 | 0 | 0 | 0 | 115.5 | S655 | N653-S655 PolarHBondContact O-N 3.29Š|
| 654 | D | 67.5 | Low | 81.3 | Confident | 77 Ų | 77 | 57.9 Ų | 57.9 | 41% | 0.412 | 34% | 0.337 | S | S | . | . | trans | -87.5 | 87.6 | 174 | -166.5 | -6.8 | 0 | 0 | 0 | 110.9 | V652 S656 L657 | V652-D654 HydrophobicContact CG1-CB 4.32Å; V652-D654 PolarHBondContact O-N 3.04Å; D654-S656 VanDerWaalsContact CG-OG 3.29Å; D654-S656 PolarHBondContact O-N 2.81Å; D654-S656 VanDerWaalsContact O-N 3.09Å; D654-S656 VanDerWaalsContact OD1-CB 3.29Å; D654-S656 WeakPolarHBondContact OD1-CB 3.16Å; D654-S656 PolarHBondContact OD1-N 2.93Å; D654-S656 PolarHBondContact OD1-OG 3.47Å; D654-S656 PolarHBondContact OD2-OG 3.26Å; D654-L657 HydrophobicContact CB-CD1 4.3Å; D654-L657 HydrophobicContact CB-CG 4.49Å; D654-L657 PolarHBondContact O-N 3.36Å | ||
| 655 | S | 66.9 | Low | 80.8 | Confident | 38 Ų | 38 | 57.7 Ų | 57.7 | 27% | 0.266 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.5 | -22.7 | 178.3 | -67 | 0 | 0 | 0 | 0 | 113 | N653 L657 F658 F659 R704 | N653-S655 PolarHBondContact O-N 3.29Å; S655-L657 PolarHBondContact O-N 3.3Å; S655-F658 PolarHBondContact O-N 3.34Å; S655-F659 WeakPolarHBondContact O-CD2 3.32Å; S655-R704 PolarHBondContact OG-NH2 2.93Å |
| 656 | S | 72 | Confident | 80.6 | Confident | 70 Ų | 70 | 56 Ų | 56 | 49% | 0.49 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.6 | -29.7 | -176.3 | 74.8 | 0 | 0 | 0 | 0 | 113.1 | D654 F659 | D654-S656 VanDerWaalsContact CG-OG 3.29Å; D654-S656 PolarHBondContact O-N 2.81Å; D654-S656 VanDerWaalsContact O-N 3.09Å; D654-S656 VanDerWaalsContact OD1-CB 3.29Å; D654-S656 WeakPolarHBondContact OD1-CB 3.16Å; D654-S656 PolarHBondContact OD1-N 2.93Å; D654-S656 PolarHBondContact OD1-OG 3.47Å; D654-S656 PolarHBondContact OD2-OG 3.26Å; S656-F659 PolarHBondContact O-N 2.75Å |
| 657 | L | 74.9 | Confident | 80.5 | Confident | 68 Ų | 68 | 55.5 Ų | 55.5 | 36% | 0.356 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.2 | -34.7 | 178.1 | -65.7 | 174.6 | 0 | 0 | 0 | 112.3 | V649 D654 S655 Q660 S663 | V649-L657 HydrophobicContact CG1-CB 3.93Å; D654-L657 HydrophobicContact CB-CD1 4.3Å; D654-L657 HydrophobicContact CB-CG 4.49Å; D654-L657 PolarHBondContact O-N 3.36Å; S655-L657 PolarHBondContact O-N 3.3Å; L657-Q660 WeakPolarHBondContact O-CG 3.25Å; L657-S663 PolarHBondContact O-OG 3.25Å |
| 658 | F | 80.5 | Confident | 80.4 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.009 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -73 | -32.2 | 179.3 | -172.7 | -104.8 | 0 | 0 | 0 | 112.3 | L646 V649 I650 S655 Q660 S663 V667 V701 R704 A705 W727 | L646-F658 HydrophobicContact CD2-CE2 4.22Å; V649-F658 HydrophobicContact CG1-CB 4.05Å; V649-F658 HydrophobicContact CG1-CD2 4.32Å; I650-F658 HydrophobicContact CD1-CD2 3.94Å; I650-F658 HydrophobicContact CD1-CE1 4.45Å; I650-F658 HydrophobicContact CD1-CE2 3.52Å; I650-F658 HydrophobicContact CD1-CZ 3.79Å; I650-F658 HydrophobicContact CG1-CB 4.47Å; I650-F658 HydrophobicContact CG1-CD1 4.35Å; I650-F658 HydrophobicContact CG1-CD2 3.37Å; I650-F658 HydrophobicContact CG1-CE1 4.47Å; I650-F658 HydrophobicContact CG1-CE2 3.53Å; I650-F658 HydrophobicContact CG1-CG 3.81Å; I650-F658 HydrophobicContact CG1-CZ 4.09Å; S655-F658 PolarHBondContact O-N 3.34Å; F658-Q660 PolarHBondContact O-N 3.12Å; F658-S663 WeakPolarHBondContact O-CB 3.25Å; F658-V667 HydrophobicContact CE2-CG2 4.07Å; F658-V667 HydrophobicContact CZ-CG2 3.84Å; F658-V701 HydrophobicContact CE2-CG1 4.24Å; F658-V701 HydrophobicContact CZ-CG1 4.17Å; F658-R704 HydrophobicContact CD1-CG 4.12Å; F658-R704 HydrophobicContact CE1-CB 4.26Å; F658-R704 HydrophobicContact CE1-CG 4.01Å; F658-A705 HydrophobicContact CE1-CB 4.33Å; F658-A705 HydrophobicContact CZ-CB 4.44Å; F658-W727 HydrophobicContact CD1-CH2 4.17Å; F658-W727 HydrophobicContact CD1-CZ3 4.14Å; F658-W727 HydrophobicContact CE1-CE3 4.33Å; F658-W727 AromaticContact CE1-CH2 3.96Å; F658-W727 HydrophobicContact CE1-CH2 3.96Å; F658-W727 AromaticContact CE1-CZ3 3.51Å; F658-W727 HydrophobicContact CE1-CZ3 3.51Å; F658-W727 HydrophobicContact CZ-CH2 4.34Å; F658-W727 AromaticContact CZ-CZ3 3.9Å; F658-W727 HydrophobicContact CZ-CZ3 3.9Å; F658-W727 WeakPolarHBondContact O-CH2 3.47Å; F658-W727 WeakPolarHBondContact O-CZ2 3.45Å |
| 659 | F | 78.7 | Confident | 80.3 | Confident | 39 Ų | 39 | 48.2 Ų | 48.2 | 17% | 0.171 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 13.2 | -179.2 | -66.7 | -73 | 0 | 0 | 0 | 114.5 | S655 S656 V708 W727 | S655-F659 WeakPolarHBondContact O-CD2 3.32Å; S656-F659 PolarHBondContact O-N 2.75Å; F659-V708 HydrophobicContact CD2-CB 4.45Å; F659-V708 HydrophobicContact CD2-CG1 4.01Å; F659-V708 HydrophobicContact CE1-CB 3.74Å; F659-V708 HydrophobicContact CE1-CG1 4.25Å; F659-V708 HydrophobicContact CE1-CG2 4.18Å; F659-V708 HydrophobicContact CE2-CB 3.51Å; F659-V708 HydrophobicContact CE2-CG1 3.4Å; F659-V708 HydrophobicContact CE2-CG2 3.47Å; F659-V708 VanDerWaalsContact CE2-CG2 3.47Å; F659-V708 HydrophobicContact CZ-CB 3.11Å; F659-V708 HydrophobicContact CZ-CG1 3.58Å; F659-V708 HydrophobicContact CZ-CG2 3.14Å; F659-W727 AromaticContact CD1-CD2 3.98Å; F659-W727 HydrophobicContact CD1-CD2 3.98Å; F659-W727 AromaticContact CD1-CE2 3.77Å; F659-W727 HydrophobicContact CD1-CE3 4.43Å; F659-W727 HydrophobicContact CD1-CG 4.33Å; F659-W727 HydrophobicContact CD1-CH2 4.49Å; F659-W727 HydrophobicContact CD1-CZ2 4.05Å; F659-W727 AromaticContact CD1-NE1 4Å; F659-W727 HydrophobicContact CE1-CD2 4.11Å; F659-W727 HydrophobicContact CE1-CE3 4.21Å; F659-W727 HydrophobicContact CE1-CG 4.49Å |
| 660 | Q | 82.7 | Confident | 80.5 | Confident | 103 Ų | 103 | 46.3 Ų | 46.3 | 48% | 0.481 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -72.3 | 152.6 | 172.4 | -64.3 | -175.6 | 0.1 | 0 | 0 | 111.8 | L657 F658 G662 S663 K664 | L657-Q660 WeakPolarHBondContact O-CG 3.25Å; F658-Q660 PolarHBondContact O-N 3.12Å; Q660-G662 PolarHBondContact O-N 3.5Å; Q660-S663 WeakPolarHBondContact O-CB 3.32Å; Q660-S663 PolarHBondContact O-N 3.18Å; Q660-K664 PolarHBondContact O-N 3Å |
| 661 | E | 80 | Confident | 81 | Confident | 90 Ų | 90 | 44.3 Ų | 44.3 | 42% | 0.421 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.6 | -36.7 | 179.6 | -172.9 | 58.7 | -155.4 | 0 | 0 | 112.3 | S663 K664 K665 | E661-S663 PolarHBondContact O-N 3.5Å; E661-K664 WeakPolarHBondContact O-CB 3.4Å; E661-K664 PolarHBondContact O-N 3.29Å; E661-K664 WeakPolarHBondContact OE2-CD 3.41Å; E661-K665 WeakPolarHBondContact O-CG 3.38Å; E661-K665 PolarHBondContact O-N 3.05Å; E661-K665 WeakPolarHBondContact OE1-CE 3.42Å |
| 662 | G | 82.2 | Confident | 81.5 | Confident | 50 Ų | 50 | 41.9 Ų | 41.9 | 52% | 0.515 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.6 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q660 A666 | Q660-G662 PolarHBondContact O-N 3.5Å; G662-A666 WeakPolarHBondContact O-CB 3.41Å; G662-A666 PolarHBondContact O-N 3.39Å |
| 663 | S | 84.9 | Confident | 82.1 | Confident | 18 Ų | 18 | 38.1 Ų | 38.1 | 13% | 0.126 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69 | -40.2 | 176 | -62.5 | 0 | 0 | 0 | 0 | 111.6 | L657 F658 Q660 E661 K665 A666 V667 | L657-S663 PolarHBondContact O-OG 3.25Å; F658-S663 WeakPolarHBondContact O-CB 3.25Å; Q660-S663 WeakPolarHBondContact O-CB 3.32Å; Q660-S663 PolarHBondContact O-N 3.18Å; E661-S663 PolarHBondContact O-N 3.5Å; S663-K665 PolarHBondContact O-N 2.9Å; S663-A666 PolarHBondContact O-N 3.11Å; S663-V667 WeakPolarHBondContact O-CG2 3.46Å; S663-V667 PolarHBondContact O-N 3.24Å |
| 664 | K | 84.9 | Confident | 83.6 | Confident | 6 Ų | 6 | 30.1 Ų | 30.1 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.6 | -49.6 | 175.1 | -169.6 | -177.1 | 179.8 | -177.7 | 0 | 111.9 | Q660 E661 T668 W727 D730 V733 | Q660-K664 PolarHBondContact O-N 3Å; E661-K664 WeakPolarHBondContact O-CB 3.4Å; E661-K664 PolarHBondContact O-N 3.29Å; E661-K664 WeakPolarHBondContact OE2-CD 3.41Å; K664-T668 WeakPolarHBondContact O-CB 3.22Å; K664-T668 PolarHBondContact O-N 3.2Å; K664-T668 PolarHBondContact O-OG1 3.21Å; K664-W727 VanDerWaalsContact CA-CH2 3.43Å; K664-W727 VanDerWaalsContact CA-CZ2 3.42Å; K664-W727 HydrophobicContact CB-CH2 3.97Å; K664-W727 HydrophobicContact CB-CZ2 3.38Å; K664-W727 HydrophobicContact CG-CD2 4.21Å; K664-W727 HydrophobicContact CG-CZ2 3.92Å; K664-D730 WeakPolarHBondContact CE-OD2 3.19Å; K664-D730 IonicContact NZ-OD2 3.59Å; K664-D730 PolarHBondContact NZ-OD2 3.14Å; K664-V733 HydrophobicContact CD-CG2 4.14Å; K664-V733 HydrophobicContact CG-CG2 3.67Å |
| 665 | K | 83.4 | Confident | 84.9 | Confident | 41 Ų | 41 | 29.8 Ų | 29.8 | 18% | 0.178 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.3 | -38.8 | 177.7 | -63.6 | -165.2 | -166.9 | -177.4 | 0 | 111.8 | R599 E661 S663 T668 A669 | R599-K665 WeakPolarHBondContact O-CD 3.33Å; R599-K665 PolarHBondContact O-NZ 2.98Å; E661-K665 WeakPolarHBondContact O-CG 3.38Å; E661-K665 PolarHBondContact O-N 3.05Å; E661-K665 WeakPolarHBondContact OE1-CE 3.42Å; S663-K665 PolarHBondContact O-N 2.9Å; K665-T668 PolarHBondContact O-N 3.22Å; K665-A669 VanDerWaalsContact O-CB 3.25Å; K665-A669 WeakPolarHBondContact O-CB 3.49Å; K665-A669 PolarHBondContact O-N 3.15Å |
| 666 | A | 87.1 | Confident | 86.2 | Confident | 4 Ų | 4 | 28 Ų | 28 | 3% | 0.033 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.6 | -46.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L646 G662 S663 L670 | L646-A666 HydrophobicContact CD1-CB 4.28Å; L646-A666 HydrophobicContact CD2-CB 4.1Å; G662-A666 WeakPolarHBondContact O-CB 3.41Å; G662-A666 PolarHBondContact O-N 3.39Å; S663-A666 PolarHBondContact O-N 3.11Å; A666-L670 WeakPolarHBondContact O-CB 3.47Å; A666-L670 PolarHBondContact O-N 3.46Å |
| 667 | V | 89.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 176.3 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | L646 F658 S663 L670 A671 V701 F702 A705 W727 I737 | L646-V667 HydrophobicContact CD1-CG2 3.9Å; L646-V667 HydrophobicContact CD2-CG2 4.15Å; F658-V667 HydrophobicContact CE2-CG2 4.07Å; F658-V667 HydrophobicContact CZ-CG2 3.84Å; S663-V667 WeakPolarHBondContact O-CG2 3.46Å; S663-V667 PolarHBondContact O-N 3.24Å; V667-L670 PolarHBondContact O-N 3.2Å; V667-A671 PolarHBondContact O-N 3.42Å; V667-V701 HydrophobicContact CG2-CG1 3.99Å; V667-F702 HydrophobicContact CG1-CD1 4Å; V667-F702 HydrophobicContact CG1-CE1 4.07Å; V667-A705 HydrophobicContact CG1-CB 4.02Å; V667-W727 HydrophobicContact CB-CZ3 4.44Å; V667-W727 HydrophobicContact CG2-CZ3 4.16Å; V667-I737 HydrophobicContact CG1-CD1 3.94Å; V667-I737 HydrophobicContact CG1-CG1 4.46Å |
| 668 | T | 88.4 | Confident | 88.2 | Confident | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.012 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.9 | -47 | 179.6 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | L603 L606 K664 K665 A671 R672 S732 P736 | L603-T668 HydrophobicContact CD2-CG2 3.82Å; L606-T668 HydrophobicContact CD1-CG2 3.94Å; K664-T668 WeakPolarHBondContact O-CB 3.22Å; K664-T668 PolarHBondContact O-N 3.2Å; K664-T668 PolarHBondContact O-OG1 3.21Å; K665-T668 PolarHBondContact O-N 3.22Å; T668-A671 PolarHBondContact O-N 3Å; T668-R672 VanDerWaalsContact O-CG 3.32Å; T668-R672 WeakPolarHBondContact O-CG 3.25Å; T668-R672 PolarHBondContact O-N 3.42Å; T668-R672 VanDerWaalsContact O-N 3.17Å; T668-S732 WeakPolarHBondContact CG2-O 3.28Å; T668-P736 HydrophobicContact CG2-CG 3.9Å |
| 669 | A | 87.8 | Confident | 88.8 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62 | -46.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | L606 K665 A671 R672 D673 | L606-A669 HydrophobicContact CD2-CB 4.27Å; K665-A669 VanDerWaalsContact O-CB 3.25Å; K665-A669 WeakPolarHBondContact O-CB 3.49Å; K665-A669 PolarHBondContact O-N 3.15Å; A669-A671 VanDerWaalsContact C-N 3.35Å; A669-A671 PolarHBondContact O-N 3.3Å; A669-R672 WeakPolarHBondContact O-CB 3.46Å; A669-R672 PolarHBondContact O-N 3.34Å; A669-D673 WeakPolarHBondContact O-CB 3.49Å; A669-D673 PolarHBondContact O-N 3.41Å; A669-D673 VanDerWaalsContact O-OD1 3.13Å |
| 670 | L | 91.9 | Very high | 89.4 | Confident | 5 Ų | 5 | 21.6 Ų | 21.6 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.6 | -45.5 | 178.4 | 179.3 | 66.7 | 0 | 0 | 0 | 112 | L639 I643 L646 A666 V667 R672 D673 L674 F702 | L639-L670 HydrophobicContact CB-CD1 4.45Å; L639-L670 HydrophobicContact CD2-CD1 4.45Å; I643-L670 HydrophobicContact CD1-CD1 4.32Å; I643-L670 HydrophobicContact CG1-CD1 3.88Å; I643-L670 HydrophobicContact CG1-CD2 3.59Å; I643-L670 HydrophobicContact CG1-CG 4.3Å; L646-L670 HydrophobicContact CD1-CD2 4.02Å; A666-L670 WeakPolarHBondContact O-CB 3.47Å; A666-L670 PolarHBondContact O-N 3.46Å; V667-L670 PolarHBondContact O-N 3.2Å; L670-R672 VanDerWaalsContact C-N 3.3Å; L670-R672 PolarHBondContact O-N 2.88Å; L670-D673 PolarHBondContact O-N 3.5Å; L670-L674 HydrophobicContact CD1-CD1 3.86Å; L670-L674 HydrophobicContact CD1-CG 4.01Å; L670-L674 HydrophobicContact CG-CD1 3.9Å; L670-L674 HydrophobicContact CG-CG 4.4Å; L670-L674 WeakPolarHBondContact O-CB 3.19Å; L670-L674 VanDerWaalsContact O-CG 3.31Å; L670-L674 WeakPolarHBondContact O-CG 3.36Å; L670-L674 PolarHBondContact O-N 2.83Å; L670-F702 HydrophobicContact CD2-CE1 4.18Å; L670-F702 HydrophobicContact CD2-CZ 4.29Å; L670-F702 HydrophobicContact CG-CE1 4.47Å; L670-F702 HydrophobicContact CG-CZ 4.27Å |
| 671 | A | 93.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.3 | -36.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V667 T668 A669 R675 F702 P736 I737 | V667-A671 PolarHBondContact O-N 3.42Å; T668-A671 PolarHBondContact O-N 3Å; A669-A671 VanDerWaalsContact C-N 3.35Å; A669-A671 PolarHBondContact O-N 3.3Å; A671-R675 VanDerWaalsContact O-CB 3.24Å; A671-R675 WeakPolarHBondContact O-CB 3.47Å; A671-R675 PolarHBondContact O-N 3.18Å; A671-R675 VanDerWaalsContact O-N 3.09Å; A671-F702 HydrophobicContact CB-CE1 4.03Å; A671-F702 HydrophobicContact CB-CE2 4.47Å; A671-F702 HydrophobicContact CB-CZ 3.76Å; A671-P736 HydrophobicContact CB-CB 3.79Å; A671-I737 HydrophobicContact CB-CG1 4.04Å |
| 672 | R | 91.8 | Very high | 90.2 | Very high | 15 Ų | 15 | 15.8 Ų | 15.8 | 6% | 0.057 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -70.7 | -41.9 | 176.4 | -68.2 | -67.4 | -179.7 | 161.4 | 2 | 112.9 | T610 T668 A669 L670 R675 G676 P736 | T610-R672 WeakPolarHBondContact CA-O 3.4Å; T610-R672 WeakPolarHBondContact OG1-CD 3.47Å; T610-R672 PolarHBondContact OG1-O 3.02Å; T668-R672 VanDerWaalsContact O-CG 3.32Å; T668-R672 WeakPolarHBondContact O-CG 3.25Å; T668-R672 PolarHBondContact O-N 3.42Å; T668-R672 VanDerWaalsContact O-N 3.17Å; A669-R672 WeakPolarHBondContact O-CB 3.46Å; A669-R672 PolarHBondContact O-N 3.34Å; L670-R672 VanDerWaalsContact C-N 3.3Å; L670-R672 PolarHBondContact O-N 2.88Å; R672-R675 PolarHBondContact O-N 3.27Å; R672-G676 PolarHBondContact O-N 3.47Å; R672-G676 VanDerWaalsContact O-N 3.11Å; R672-P736 HydrophobicContact CG-CB 4.13Å |
| 673 | D | 92.2 | Very high | 90.4 | Very high | 3 Ų | 3 | 16.1 Ų | 16.1 | 2% | 0.016 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.2 | -53.2 | -179.7 | -65.1 | -5.3 | 0 | 0 | 0 | 109.8 | R609 Y613 L639 A669 L670 R675 G676 V677 | R609-D673 WeakPolarHBondContact CB-OD1 3.49Å; R609-D673 IonicContact CZ-OD1 3.5Å; R609-D673 VanDerWaalsContact CZ-OD1 3.31Å; R609-D673 IonicContact CZ-OD2 2.79Å; R609-D673 IonicContact NE-OD1 2.76Å; R609-D673 PolarHBondContact NE-OD1 3.2Å; R609-D673 IonicContact NE-OD2 3.96Å; R609-D673 VanDerWaalsContact NH2-CG 3.3Å; R609-D673 IonicContact NH2-OD1 3.06Å; R609-D673 PolarHBondContact NH2-OD1 3.06Å; R609-D673 IonicContact NH2-OD2 3.78Å; R609-D673 PolarHBondContact NH2-OD2 3.2Å; Y613-D673 HydrophobicContact CD2-CB 3.76Å; Y613-D673 WeakPolarHBondContact CD2-OD1 3.41Å; Y613-D673 HydrophobicContact CE1-CB 4.38Å; Y613-D673 HydrophobicContact CE2-CB 3.59Å; Y613-D673 WeakPolarHBondContact CE2-OD1 3.29Å; Y613-D673 WeakPolarHBondContact CE2-OD2 3.44Å; Y613-D673 HydrophobicContact CG-CB 4.23Å; Y613-D673 PolarHBondContact OH-OD2 2.79Å; L639-D673 HydrophobicContact CD1-CB 4.43Å; L639-D673 HydrophobicContact CD2-CB 4.1Å; A669-D673 WeakPolarHBondContact O-CB 3.49Å; A669-D673 PolarHBondContact O-N 3.41Å; A669-D673 VanDerWaalsContact O-OD1 3.13Å; L670-D673 PolarHBondContact O-N 3.5Å; D673-R675 VanDerWaalsContact C-N 3.29Å; D673-R675 PolarHBondContact O-N 3.42Å; D673-G676 PolarHBondContact O-N 2.96Å; D673-V677 WeakPolarHBondContact O-CG2 3.1Å; D673-V677 PolarHBondContact O-N 2.94Å |
| 674 | L | 94.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.1 | -37.6 | 177.7 | -69.1 | 175.5 | 0 | 0 | 0 | 111.9 | L639 I643 L670 G676 V677 F678 I694 C698 F702 F740 | L639-L674 HydrophobicContact CD1-CD2 4.03Å; I643-L674 HydrophobicContact CD1-CD1 4.39Å; L670-L674 HydrophobicContact CD1-CD1 3.86Å; L670-L674 HydrophobicContact CD1-CG 4.01Å; L670-L674 HydrophobicContact CG-CD1 3.9Å; L670-L674 HydrophobicContact CG-CG 4.4Å; L670-L674 WeakPolarHBondContact O-CB 3.19Å; L670-L674 VanDerWaalsContact O-CG 3.31Å; L670-L674 WeakPolarHBondContact O-CG 3.36Å; L670-L674 PolarHBondContact O-N 2.83Å; L674-G676 VanDerWaalsContact C-N 3.32Å; L674-G676 PolarHBondContact O-N 2.88Å; L674-V677 WeakPolarHBondContact O-CB 3.46Å; L674-V677 PolarHBondContact O-N 3.34Å; L674-F678 VanDerWaalsContact O-CD2 3.3Å; L674-F678 WeakPolarHBondContact O-CD2 3.4Å; L674-F678 PolarHBondContact O-N 2.9Å; L674-I694 HydrophobicContact CD2-CG2 3.96Å; L674-C698 WeakPolarHBondContact CD1-SG 3.21Å; L674-F702 HydrophobicContact CD1-CE2 4.49Å; L674-F702 HydrophobicContact CD1-CZ 4.29Å; L674-F740 HydrophobicContact CB-CD2 3.68Å; L674-F740 HydrophobicContact CB-CE2 3.53Å; L674-F740 HydrophobicContact CB-CZ 4.27Å; L674-F740 HydrophobicContact CD1-CE2 4.35Å; L674-F740 HydrophobicContact CD1-CZ 4.28Å |
| 675 | R | 95.3 | Very high | 90.7 | Very high | 70 Ų | 70 | 24.6 Ų | 24.6 | 26% | 0.264 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -60.1 | -43.5 | 173.6 | -176.2 | -180 | 177.2 | -132.8 | -3.1 | 111.9 | T610 A671 R672 D673 A679 F740 E743 | T610-R675 HydrophobicContact CG2-CB 4.39Å; T610-R675 HydrophobicContact CG2-CG 4.14Å; A671-R675 VanDerWaalsContact O-CB 3.24Å; A671-R675 WeakPolarHBondContact O-CB 3.47Å; A671-R675 PolarHBondContact O-N 3.18Å; A671-R675 VanDerWaalsContact O-N 3.09Å; R672-R675 PolarHBondContact O-N 3.27Å; D673-R675 VanDerWaalsContact C-N 3.29Å; D673-R675 PolarHBondContact O-N 3.42Å; R675-A679 VanDerWaalsContact O-CB 3.29Å; R675-A679 WeakPolarHBondContact O-CB 3.37Å; R675-A679 PolarHBondContact O-N 3.4Å; R675-F740 HydrophobicContact CB-CB 4.22Å; R675-F740 HydrophobicContact CB-CD2 4.46Å; R675-E743 HydrophobicContact CG-CB 4.2Å; R675-E743 HydrophobicContact CG-CG 4.28Å |
| 676 | G | 92.8 | Very high | 91 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T610 E614 R672 D673 L674 A679 | T610-G676 VanDerWaalsContact O-CA 3.27Å; T610-G676 WeakPolarHBondContact O-CA 3.36Å; E614-G676 VanDerWaalsContact CA-O 3.26Å; E614-G676 WeakPolarHBondContact CA-O 3.43Å; R672-G676 PolarHBondContact O-N 3.47Å; R672-G676 VanDerWaalsContact O-N 3.11Å; D673-G676 PolarHBondContact O-N 2.96Å; L674-G676 VanDerWaalsContact C-N 3.32Å; L674-G676 PolarHBondContact O-N 2.88Å; G676-A679 WeakPolarHBondContact O-CB 3.26Å; G676-A679 PolarHBondContact O-N 3.44Å |
| 677 | V | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -55 | -60.2 | 174.6 | 170.4 | 0 | 0 | 0 | 0 | 110.4 | Y613 V617 L636 L639 D673 L674 A679 S680 L681 | Y613-V677 HydrophobicContact CD1-CG2 3.88Å; Y613-V677 HydrophobicContact CG-CG2 4.44Å; V617-V677 HydrophobicContact CG2-CB 4.17Å; V617-V677 HydrophobicContact CG2-CG1 4.21Å; V617-V677 HydrophobicContact CG2-CG2 3.87Å; L636-V677 HydrophobicContact CD1-CG1 4.46Å; L636-V677 HydrophobicContact CD2-CB 4.45Å; L636-V677 HydrophobicContact CD2-CG1 3.71Å; L636-V677 HydrophobicContact CD2-CG2 3.87Å; L639-V677 HydrophobicContact CD1-CG2 4.03Å; D673-V677 WeakPolarHBondContact O-CG2 3.1Å; D673-V677 PolarHBondContact O-N 2.94Å; L674-V677 WeakPolarHBondContact O-CB 3.46Å; L674-V677 PolarHBondContact O-N 3.34Å; V677-A679 PolarHBondContact O-N 3.36Å; V677-S680 PolarHBondContact O-N 2.97Å; V677-S680 VanDerWaalsContact O-N 3.11Å; V677-L681 HydrophobicContact CG1-CD1 4.12Å; V677-L681 HydrophobicContact CG1-CG 4.48Å; V677-L681 WeakPolarHBondContact O-CG 3.21Å; V677-L681 PolarHBondContact O-N 3.26Å |
| 678 | F | 94.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.1 | -24 | -176.3 | -82 | -96.4 | 0 | 0 | 0 | 112.5 | L674 S680 L681 Y687 A690 F691 I694 F740 E743 I744 R751 | L674-F678 VanDerWaalsContact O-CD2 3.3Å; L674-F678 WeakPolarHBondContact O-CD2 3.4Å; L674-F678 PolarHBondContact O-N 2.9Å; F678-S680 PolarHBondContact O-N 3.18Å; F678-L681 HydrophobicContact CD1-CD1 4.19Å; F678-L681 HydrophobicContact CE1-CD1 4.37Å; F678-L681 HydrophobicContact CG-CD1 4.36Å; F678-L681 PolarHBondContact O-N 3.4Å; F678-Y687 AromaticContact CD1-CD2 3.88Å; F678-Y687 HydrophobicContact CD1-CD2 3.88Å; F678-Y687 AromaticContact CD1-CE2 3.72Å; F678-Y687 HydrophobicContact CD1-CE2 3.72Å; F678-Y687 HydrophobicContact CE1-CD2 4.01Å; F678-Y687 AromaticContact CE1-CE2 3.84Å; F678-Y687 HydrophobicContact CE1-CE2 3.84Å; F678-A690 HydrophobicContact CE1-CB 4.39Å; F678-A690 HydrophobicContact CE2-CB 4.34Å; F678-A690 HydrophobicContact CZ-CB 3.93Å; F678-F691 HydrophobicContact CE1-CB 4.46Å; F678-I694 HydrophobicContact CE2-CD1 3.51Å; F678-I694 HydrophobicContact CE2-CG1 4.4Å; F678-I694 HydrophobicContact CZ-CD1 3.56Å; F678-I694 HydrophobicContact CZ-CG1 4.19Å; F678-F740 AromaticContact CD2-CE2 3.83Å; F678-F740 HydrophobicContact CD2-CE2 3.83Å; F678-F740 HydrophobicContact CE2-CE2 4.15Å; F678-F740 HydrophobicContact CG-CE2 4.38Å; F678-E743 HydrophobicContact CB-CG 4.13Å; F678-I744 HydrophobicContact CD1-CB 4.38Å; F678-I744 HydrophobicContact CD1-CD1 4.16Å; F678-I744 HydrophobicContact CD1-CG1 3.83Å; F678-I744 HydrophobicContact CE1-CD1 3.7Å; F678-I744 HydrophobicContact CE1-CG1 3.74Å; F678-I744 HydrophobicContact CE2-CD1 4.4Å; F678-I744 HydrophobicContact CZ-CD1 3.83Å; F678-I744 HydrophobicContact CZ-CG1 4.38Å; F678-R751 PolarHBondContact O-NH1 3.43Å |
| 679 | A | 92.6 | Very high | 91.4 | Very high | 24 Ų | 24 | 24.3 Ų | 24.3 | 20% | 0.198 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.9 | -35.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E614 R675 G676 V677 E743 R748 | E614-A679 HydrophobicContact CG-CB 4.1Å; R675-A679 VanDerWaalsContact O-CB 3.29Å; R675-A679 WeakPolarHBondContact O-CB 3.37Å; R675-A679 PolarHBondContact O-N 3.4Å; G676-A679 WeakPolarHBondContact O-CB 3.26Å; G676-A679 PolarHBondContact O-N 3.44Å; V677-A679 PolarHBondContact O-N 3.36Å; A679-E743 WeakPolarHBondContact CA-OE1 3.21Å; A679-R748 PolarHBondContact O-NH2 3.42Å |
| 680 | S | 91 | Very high | 91.7 | Very high | 20 Ų | 20 | 24.3 Ų | 24.3 | 14% | 0.14 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -91 | -12.7 | -176.9 | -61.5 | 0 | 0 | 0 | 0 | 115 | E614 V677 F678 S682 | E614-S680 VanDerWaalsContact C-OG 3.28Å; E614-S680 VanDerWaalsContact CA-OG 3.28Å; E614-S680 WeakPolarHBondContact CA-OG 3.24Å; E614-S680 WeakPolarHBondContact CG-OG 3.36Å; E614-S680 PolarHBondContact O-OG 3.38Å; V677-S680 PolarHBondContact O-N 2.97Å; V677-S680 VanDerWaalsContact O-N 3.11Å; F678-S680 PolarHBondContact O-N 3.18Å; S680-S682 PolarHBondContact O-N 2.83Å |
| 681 | L | 92.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -78.4 | 92 | 179.9 | -57 | -179.5 | 0 | 0 | 0 | 111 | V617 L632 V677 F678 A686 A690 R751 | V617-L681 HydrophobicContact CG1-CD2 3.63Å; V617-L681 HydrophobicContact CG1-CG 4.43Å; L632-L681 HydrophobicContact CD1-CD2 4.3Å; L632-L681 HydrophobicContact CD2-CD2 4.16Å; V677-L681 HydrophobicContact CG1-CD1 4.12Å; V677-L681 HydrophobicContact CG1-CG 4.48Å; V677-L681 WeakPolarHBondContact O-CG 3.21Å; V677-L681 PolarHBondContact O-N 3.26Å; F678-L681 HydrophobicContact CD1-CD1 4.19Å; F678-L681 HydrophobicContact CE1-CD1 4.37Å; F678-L681 HydrophobicContact CG-CD1 4.36Å; F678-L681 PolarHBondContact O-N 3.4Å; L681-A686 HydrophobicContact CD2-CB 3.99Å; L681-A690 HydrophobicContact CD1-CB 3.32Å; L681-R751 WeakPolarHBondContact O-CD 3.35Å; L681-R751 PolarHBondContact O-NH1 3.27Å | ||
| 682 | S | 86.6 | Confident | 91.6 | Very high | 71 Ų | 71 | 31.5 Ų | 31.5 | 50% | 0.497 | 17% | 0.167 | S | C | . | . | trans | -88.7 | -25.1 | -178.7 | 58.3 | 0 | 0 | 0 | 0 | 114 | S680 | S680-S682 PolarHBondContact O-N 2.83Š| ||
| 683 | T | 88.1 | Confident | 91.7 | Very high | 56 Ų | 56 | 33.3 Ų | 33.3 | 34% | 0.344 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -93.1 | 149.2 | -176.6 | 70.9 | 0 | 0 | 0 | 0 | 112.1 | Q685 A686 Y687 | T683-Q685 VanDerWaalsContact C-N 3.32Å; T683-Q685 PolarHBondContact O-N 2.94Å; T683-A686 PolarHBondContact O-N 3.26Å; T683-A686 VanDerWaalsContact OG1-CB 3.22Å; T683-A686 WeakPolarHBondContact OG1-CB 3.14Å; T683-A686 PolarHBondContact OG1-N 3.41Å; T683-Y687 WeakPolarHBondContact O-CB 3.32Å; T683-Y687 PolarHBondContact O-N 2.95Å |
| 684 | K | 87.2 | Confident | 91.8 | Very high | 119 Ų | 119 | 33.3 Ų | 33.3 | 52% | 0.517 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -58.5 | -41.6 | 176.8 | 180 | 177.8 | 177.6 | 171.6 | 0 | 112.5 | G688 Q753 | K684-G688 PolarHBondContact O-N 2.92Å; K684-Q753 WeakPolarHBondContact CE-O 3.41Å; K684-Q753 PolarHBondContact NZ-O 3.25Å |
| 685 | Q | 88.2 | Confident | 91.7 | Very high | 83 Ų | 83 | 35.5 Ų | 35.5 | 39% | 0.388 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.1 | -46.5 | -179.4 | -175.5 | -174 | -3.4 | 0 | 0 | 111.9 | D625 T683 G688 T689 | D625-Q685 PolarHBondContact O-NE2 3.05Å; T683-Q685 VanDerWaalsContact C-N 3.32Å; T683-Q685 PolarHBondContact O-N 2.94Å; Q685-G688 PolarHBondContact O-N 2.97Å; Q685-T689 WeakPolarHBondContact O-CB 3.44Å; Q685-T689 PolarHBondContact O-N 3Å; Q685-T689 PolarHBondContact O-OG1 3.3Å |
| 686 | A | 90.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.5 | -44.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L628 L632 L681 T683 T689 A690 | L628-A686 HydrophobicContact CD2-CB 4.02Å; L628-A686 HydrophobicContact CG-CB 4.41Å; L632-A686 HydrophobicContact CD2-CB 4.19Å; L632-A686 VanDerWaalsContact CD2-O 3.31Å; L632-A686 WeakPolarHBondContact CD2-O 3.24Å; L681-A686 HydrophobicContact CD2-CB 3.99Å; T683-A686 PolarHBondContact O-N 3.26Å; T683-A686 VanDerWaalsContact OG1-CB 3.22Å; T683-A686 WeakPolarHBondContact OG1-CB 3.14Å; T683-A686 PolarHBondContact OG1-N 3.41Å; A686-T689 PolarHBondContact O-N 3.35Å; A686-A690 WeakPolarHBondContact O-CB 3.34Å; A686-A690 PolarHBondContact O-N 3.28Å |
| 687 | Y | 91.4 | Very high | 91.7 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.8 | -50.1 | 174.5 | 179.5 | -84.7 | 0 | 0 | 0 | 111.4 | F678 T683 T689 A690 F691 I744 R751 V752 | F678-Y687 AromaticContact CD1-CD2 3.88Å; F678-Y687 HydrophobicContact CD1-CD2 3.88Å; F678-Y687 AromaticContact CD1-CE2 3.72Å; F678-Y687 HydrophobicContact CD1-CE2 3.72Å; F678-Y687 HydrophobicContact CE1-CD2 4.01Å; F678-Y687 AromaticContact CE1-CE2 3.84Å; F678-Y687 HydrophobicContact CE1-CE2 3.84Å; T683-Y687 WeakPolarHBondContact O-CB 3.32Å; T683-Y687 PolarHBondContact O-N 2.95Å; Y687-T689 PolarHBondContact O-N 2.96Å; Y687-A690 PolarHBondContact O-N 3.2Å; Y687-F691 HydrophobicContact CE1-CB 4.26Å; Y687-F691 HydrophobicContact CE1-CD2 4.14Å; Y687-F691 HydrophobicContact CE1-CG 4.4Å; Y687-F691 VanDerWaalsContact O-CB 3.22Å; Y687-F691 WeakPolarHBondContact O-CB 3.36Å; Y687-F691 PolarHBondContact O-N 2.83Å; Y687-I744 HydrophobicContact CE2-CG1 4.16Å; Y687-I744 WeakPolarHBondContact OH-CG1 3.2Å; Y687-I744 PolarHBondContact OH-O 3.22Å; Y687-R751 HydrophobicContact CD2-CG 4.1Å; Y687-R751 HydrophobicContact CG-CG 4.32Å; Y687-V752 HydrophobicContact CD2-CG2 4.49Å; Y687-V752 HydrophobicContact CE1-CG1 4.33Å; Y687-V752 HydrophobicContact CE1-CG2 3.99Å; Y687-V752 HydrophobicContact CE2-CG2 3.88Å |
| 688 | G | 90.6 | Very high | 91.7 | Very high | 23 Ų | 23 | 39.9 Ų | 39.9 | 24% | 0.237 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.9 | -46.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K684 Q685 A690 F691 E692 | K684-G688 PolarHBondContact O-N 2.92Å; Q685-G688 PolarHBondContact O-N 2.97Å; G688-A690 PolarHBondContact O-N 3.47Å; G688-F691 PolarHBondContact O-N 3.23Å; G688-E692 WeakPolarHBondContact O-CB 3.42Å; G688-E692 WeakPolarHBondContact O-CG 3.5Å; G688-E692 PolarHBondContact O-N 2.96Å |
| 689 | T | 91.6 | Very high | 91.6 | Very high | 14 Ų | 14 | 40.2 Ų | 40.2 | 9% | 0.086 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61 | -46.2 | 178.5 | -54.5 | 0 | 0 | 0 | 0 | 111.7 | L632 K633 Q685 A686 Y687 L693 | L632-T689 HydrophobicContact CD2-CG2 4.47Å; K633-T689 HydrophobicContact CD-CG2 4.47Å; K633-T689 HydrophobicContact CG-CG2 3.93Å; Q685-T689 WeakPolarHBondContact O-CB 3.44Å; Q685-T689 PolarHBondContact O-N 3Å; Q685-T689 PolarHBondContact O-OG1 3.3Å; A686-T689 PolarHBondContact O-N 3.35Å; Y687-T689 PolarHBondContact O-N 2.96Å; T689-L693 VanDerWaalsContact O-CG 3.32Å; T689-L693 WeakPolarHBondContact O-CG 3.48Å; T689-L693 PolarHBondContact O-N 3.37Å |
| 690 | A | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.8 | -39.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L632 L636 F678 L681 A686 Y687 G688 L693 I694 | L632-A690 HydrophobicContact CD2-CB 4.15Å; L636-A690 HydrophobicContact CD1-CB 3.63Å; F678-A690 HydrophobicContact CE1-CB 4.39Å; F678-A690 HydrophobicContact CE2-CB 4.34Å; F678-A690 HydrophobicContact CZ-CB 3.93Å; L681-A690 HydrophobicContact CD1-CB 3.32Å; A686-A690 WeakPolarHBondContact O-CB 3.34Å; A686-A690 PolarHBondContact O-N 3.28Å; Y687-A690 PolarHBondContact O-N 3.2Å; G688-A690 PolarHBondContact O-N 3.47Å; A690-L693 PolarHBondContact O-N 3.05Å; A690-I694 PolarHBondContact O-N 3.21Å |
| 691 | F | 92.6 | Very high | 91.7 | Very high | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.3 | -47.2 | 179.3 | -174 | -82.3 | 0 | 0 | 0 | 111.5 | F678 Y687 G688 L693 I694 Y695 I744 T760 L764 | F678-F691 HydrophobicContact CE1-CB 4.46Å; Y687-F691 HydrophobicContact CE1-CB 4.26Å; Y687-F691 HydrophobicContact CE1-CD2 4.14Å; Y687-F691 HydrophobicContact CE1-CG 4.4Å; Y687-F691 VanDerWaalsContact O-CB 3.22Å; Y687-F691 WeakPolarHBondContact O-CB 3.36Å; Y687-F691 PolarHBondContact O-N 2.83Å; G688-F691 PolarHBondContact O-N 3.23Å; F691-L693 PolarHBondContact O-N 3.48Å; F691-I694 WeakPolarHBondContact O-CG1 3.45Å; F691-I694 PolarHBondContact O-N 3.35Å; F691-Y695 HydrophobicContact CD1-CG 4.48Å; F691-Y695 HydrophobicContact CE1-CD1 4.07Å; F691-Y695 AromaticContact CE1-CD2 3.98Å; F691-Y695 HydrophobicContact CE1-CD2 3.98Å; F691-Y695 AromaticContact CE1-CG 3.56Å; F691-Y695 HydrophobicContact CE1-CG 3.56Å; F691-Y695 AromaticContact CZ-CD2 3.65Å; F691-Y695 HydrophobicContact CZ-CD2 3.65Å; F691-Y695 HydrophobicContact CZ-CE2 4.41Å; F691-Y695 AromaticContact CZ-CG 3.75Å; F691-Y695 HydrophobicContact CZ-CG 3.75Å; F691-Y695 VanDerWaalsContact O-CB 3.31Å; F691-Y695 WeakPolarHBondContact O-CB 3.46Å; F691-Y695 PolarHBondContact O-N 2.65Å; F691-I744 HydrophobicContact CD2-CD1 3.69Å; F691-I744 HydrophobicContact CD2-CG1 4.11Å; F691-I744 HydrophobicContact CE2-CD1 3.83Å; F691-I744 HydrophobicContact CE2-CG1 4.28Å; F691-T760 HydrophobicContact CD1-CG2 3.89Å; F691-T760 HydrophobicContact CE1-CG2 3.19Å; F691-T760 HydrophobicContact CZ-CG2 3.64Å; F691-L764 HydrophobicContact CE2-CD1 3.98Å; F691-L764 HydrophobicContact CE2-CD2 4.41Å; F691-L764 HydrophobicContact CZ-CD1 4.2Å |
| 692 | E | 91.9 | Very high | 91.8 | Very high | 149 Ų | 149 | 42 Ų | 42 | 70% | 0.696 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -58.9 | -32 | 178.2 | -75.6 | 174.3 | -172.9 | 0 | 0 | 113.1 | G688 | G688-E692 WeakPolarHBondContact O-CB 3.42Å; G688-E692 WeakPolarHBondContact O-CG 3.5Å; G688-E692 PolarHBondContact O-N 2.96Å |
| 693 | L | 93.5 | Very high | 92.1 | Very high | 54 Ų | 54 | 39.6 Ų | 39.6 | 28% | 0.283 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -74.9 | -28.7 | -179.8 | -69 | 169 | 0 | 0 | 0 | 113.6 | K633 L636 T689 A690 F691 | K633-L693 HydrophobicContact CB-CD1 4.4Å; K633-L693 HydrophobicContact CG-CD1 3.91Å; K633-L693 HydrophobicContact CG-CD2 4.33Å; L636-L693 HydrophobicContact CB-CD1 4.12Å; L636-L693 HydrophobicContact CD1-CD1 4.04Å; T689-L693 VanDerWaalsContact O-CG 3.32Å; T689-L693 WeakPolarHBondContact O-CG 3.48Å; T689-L693 PolarHBondContact O-N 3.37Å; A690-L693 PolarHBondContact O-N 3.05Å; F691-L693 PolarHBondContact O-N 3.48Å |
| 694 | I | 94.3 | Very high | 92.1 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -102.5 | -26.2 | -174.1 | 66.4 | 159.8 | 0 | 0 | 0 | 113.2 | I643 L674 F678 A690 F691 R697 C698 F740 I744 | I643-I694 HydrophobicContact CD1-CB 3.95Å; I643-I694 HydrophobicContact CD1-CG2 3.69Å; L674-I694 HydrophobicContact CD2-CG2 3.96Å; F678-I694 HydrophobicContact CE2-CD1 3.51Å; F678-I694 HydrophobicContact CE2-CG1 4.4Å; F678-I694 HydrophobicContact CZ-CD1 3.56Å; F678-I694 HydrophobicContact CZ-CG1 4.19Å; A690-I694 PolarHBondContact O-N 3.21Å; F691-I694 WeakPolarHBondContact O-CG1 3.45Å; F691-I694 PolarHBondContact O-N 3.35Å; I694-R697 PolarHBondContact O-N 3.4Å; I694-C698 HydrophobicContact CB-CB 4.03Å; I694-C698 WeakPolarHBondContact O-CB 3.33Å; I694-C698 PolarHBondContact O-N 3.08Å; I694-F740 HydrophobicContact CD1-CE2 4.39Å; I694-F740 HydrophobicContact CD1-CZ 3.71Å; I694-I744 HydrophobicContact CD1-CD1 3.99Å |
| 695 | Y | 93.2 | Very high | 92.2 | Very high | 46 Ų | 46 | 33.6 Ų | 33.6 | 18% | 0.18 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 137.8 | -177 | -172.9 | -89.9 | 0 | 0 | 0 | 111.2 | F691 F699 L763 D767 | F691-Y695 HydrophobicContact CD1-CG 4.48Å; F691-Y695 HydrophobicContact CE1-CD1 4.07Å; F691-Y695 AromaticContact CE1-CD2 3.98Å; F691-Y695 HydrophobicContact CE1-CD2 3.98Å; F691-Y695 AromaticContact CE1-CG 3.56Å; F691-Y695 HydrophobicContact CE1-CG 3.56Å; F691-Y695 AromaticContact CZ-CD2 3.65Å; F691-Y695 HydrophobicContact CZ-CD2 3.65Å; F691-Y695 HydrophobicContact CZ-CE2 4.41Å; F691-Y695 AromaticContact CZ-CG 3.75Å; F691-Y695 HydrophobicContact CZ-CG 3.75Å; F691-Y695 VanDerWaalsContact O-CB 3.31Å; F691-Y695 WeakPolarHBondContact O-CB 3.46Å; F691-Y695 PolarHBondContact O-N 2.65Å; Y695-F699 AromaticContact CD2-CD2 3.64Å; Y695-F699 HydrophobicContact CD2-CD2 3.64Å; Y695-F699 AromaticContact CD2-CE2 3.97Å; Y695-F699 HydrophobicContact CD2-CE2 3.97Å; Y695-F699 HydrophobicContact CE2-CD2 4.09Å; Y695-L763 HydrophobicContact CE1-CD1 4.24Å; Y695-L763 WeakPolarHBondContact OH-CB 3.32Å; Y695-D767 VanDerWaalsContact CE2-OD2 3.25Å; Y695-D767 WeakPolarHBondContact CE2-OD2 3.42Å; Y695-D767 PolarHBondContact OH-OD2 3.16Å |
| 696 | P | 92.3 | Very high | 92.1 | Very high | 55 Ų | 55 | 29.7 Ų | 29.7 | 36% | 0.357 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -93.4 | -11.2 | 1.8 | 35.1 | -34.9 | 0 | 0 | 0 | 114.6 | C698 F699 Q700 | P696-C698 VanDerWaalsContact C-N 3.3Å; P696-C698 PolarHBondContact O-N 3.2Å; P696-F699 PolarHBondContact O-N 3.22Å; P696-Q700 PolarHBondContact O-N 3.39Å |
| 697 | R | 94.3 | Very high | 91.6 | Very high | 107 Ų | 107 | 32.5 Ų | 32.5 | 40% | 0.404 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -56.4 | -41.1 | -168.2 | -70.3 | -178.7 | 176.4 | 171.3 | -3.4 | 113.1 | I643 D644 Y647 I694 F699 Q700 V701 | I643-R697 HydrophobicContact CG2-CB 3.65Å; D644-R697 WeakPolarHBondContact OD1-CD 3.42Å; D644-R697 IonicContact OD1-CZ 2.81Å; D644-R697 IonicContact OD1-NE 2.89Å; D644-R697 IonicContact OD1-NH1 2.88Å; D644-R697 PolarHBondContact OD1-NH1 3.15Å; D644-R697 IonicContact OD2-NH1 3.92Å; D644-R697 PolarHBondContact OD2-NH1 3.25Å; Y647-R697 HydrophobicContact CD1-CG 4.4Å; Y647-R697 HydrophobicContact CD2-CB 4.19Å; Y647-R697 HydrophobicContact CD2-CG 4.16Å; Y647-R697 HydrophobicContact CE2-CG 4.44Å; Y647-R697 HydrophobicContact CG-CB 4.31Å; Y647-R697 HydrophobicContact CG-CG 4.14Å; I694-R697 PolarHBondContact O-N 3.4Å; R697-F699 VanDerWaalsContact C-N 3.32Å; R697-F699 PolarHBondContact O-N 3.39Å; R697-Q700 WeakPolarHBondContact O-CB 3.49Å; R697-Q700 PolarHBondContact O-N 3.23Å; R697-Q700 VanDerWaalsContact O-N 3.17Å; R697-V701 WeakPolarHBondContact O-CG2 3.31Å; R697-V701 PolarHBondContact O-N 3.03Å |
| 698 | C | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.9 | -42.3 | 178.7 | 178.4 | 0 | 0 | 0 | 0 | 112.5 | I643 L674 I694 P696 Q700 V701 F702 | I643-C698 HydrophobicContact CD1-CB 4.04Å; I643-C698 HydrophobicContact CG1-CB 4.28Å; I643-C698 HydrophobicContact CG2-CB 4.2Å; L674-C698 WeakPolarHBondContact CD1-SG 3.21Å; I694-C698 HydrophobicContact CB-CB 4.03Å; I694-C698 WeakPolarHBondContact O-CB 3.33Å; I694-C698 PolarHBondContact O-N 3.08Å; P696-C698 VanDerWaalsContact C-N 3.3Å; P696-C698 PolarHBondContact O-N 3.2Å; C698-Q700 VanDerWaalsContact C-N 3.35Å; C698-V701 PolarHBondContact O-N 3.03Å; C698-F702 WeakPolarHBondContact O-CG 3.49Å; C698-F702 PolarHBondContact O-N 3.47Å; C698-F702 WeakPolarHBondContact SG-CE2 3.35Å |
| 699 | F | 93.9 | Very high | 88.8 | Confident | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.035 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.5 | -33.5 | 178.1 | -78.4 | -86.9 | 0 | 0 | 0 | 112.4 | Y695 P696 R697 F702 L703 F740 I744 L764 D767 F768 | Y695-F699 AromaticContact CD2-CD2 3.64Å; Y695-F699 HydrophobicContact CD2-CD2 3.64Å; Y695-F699 AromaticContact CD2-CE2 3.97Å; Y695-F699 HydrophobicContact CD2-CE2 3.97Å; Y695-F699 HydrophobicContact CE2-CD2 4.09Å; P696-F699 PolarHBondContact O-N 3.22Å; R697-F699 VanDerWaalsContact C-N 3.32Å; R697-F699 PolarHBondContact O-N 3.39Å; F699-F702 PolarHBondContact O-N 3.19Å; F699-L703 WeakPolarHBondContact O-CB 3.39Å; F699-L703 PolarHBondContact O-N 2.87Å; F699-F740 HydrophobicContact CZ-CE1 4.16Å; F699-I744 HydrophobicContact CE2-CD1 4.19Å; F699-I744 HydrophobicContact CZ-CD1 4.11Å; F699-I744 HydrophobicContact CZ-CG2 4.07Å; F699-L764 HydrophobicContact CE1-CD1 4.05Å; F699-L764 HydrophobicContact CE2-CD1 4.05Å; F699-L764 HydrophobicContact CZ-CD1 3.53Å; F699-D767 HydrophobicContact CD1-CB 4.39Å; F699-F768 AromaticContact CE1-CD1 3.95Å; F699-F768 HydrophobicContact CE1-CD1 3.95Å; F699-F768 AromaticContact CE1-CE1 3.49Å; F699-F768 HydrophobicContact CE1-CE1 3.49Å; F699-F768 VanDerWaalsContact CE1-CE1 3.49Å; F699-F768 AromaticContact CZ-CE1 3.88Å; F699-F768 HydrophobicContact CZ-CE1 3.88Å |
| 700 | Q | 93.1 | Very high | 86.6 | Confident | 83 Ų | 83 | 39.7 Ų | 39.7 | 39% | 0.388 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.4 | -41.1 | 174.6 | -66.5 | 170 | -37 | 0 | 0 | 111.3 | Y647 P696 R697 C698 L703 R704 | Y647-Q700 HydrophobicContact CD2-CB 4.3Å; Y647-Q700 HydrophobicContact CE2-CB 4.12Å; P696-Q700 PolarHBondContact O-N 3.39Å; R697-Q700 WeakPolarHBondContact O-CB 3.49Å; R697-Q700 PolarHBondContact O-N 3.23Å; R697-Q700 VanDerWaalsContact O-N 3.17Å; C698-Q700 VanDerWaalsContact C-N 3.35Å; Q700-L703 PolarHBondContact O-N 3.3Å; Q700-R704 PolarHBondContact O-N 3.39Å |
| 701 | V | 92.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.8 | -48.4 | 173.2 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | L646 I650 F658 V667 R697 C698 R704 A705 | L646-V701 HydrophobicContact CB-CG1 4.01Å; L646-V701 HydrophobicContact CB-CG2 4.06Å; L646-V701 HydrophobicContact CD1-CG1 4.18Å; I650-V701 HydrophobicContact CD1-CB 4.06Å; I650-V701 HydrophobicContact CD1-CG1 4.24Å; I650-V701 HydrophobicContact CD1-CG2 3.79Å; F658-V701 HydrophobicContact CE2-CG1 4.24Å; F658-V701 HydrophobicContact CZ-CG1 4.17Å; V667-V701 HydrophobicContact CG2-CG1 3.99Å; R697-V701 WeakPolarHBondContact O-CG2 3.31Å; R697-V701 PolarHBondContact O-N 3.03Å; C698-V701 PolarHBondContact O-N 3.03Å; V701-R704 PolarHBondContact O-N 3.4Å; V701-A705 PolarHBondContact O-N 3.09Å |
| 702 | F | 94.2 | Very high | 82.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.9 | -36.1 | 179.6 | -69.9 | -16.7 | 0 | 0 | 0 | 113.5 | V667 L670 A671 L674 C698 F699 A705 C706 I737 F740 L771 | V667-F702 HydrophobicContact CG1-CD1 4Å; V667-F702 HydrophobicContact CG1-CE1 4.07Å; L670-F702 HydrophobicContact CD2-CE1 4.18Å; L670-F702 HydrophobicContact CD2-CZ 4.29Å; L670-F702 HydrophobicContact CG-CE1 4.47Å; L670-F702 HydrophobicContact CG-CZ 4.27Å; A671-F702 HydrophobicContact CB-CE1 4.03Å; A671-F702 HydrophobicContact CB-CE2 4.47Å; A671-F702 HydrophobicContact CB-CZ 3.76Å; L674-F702 HydrophobicContact CD1-CE2 4.49Å; L674-F702 HydrophobicContact CD1-CZ 4.29Å; C698-F702 WeakPolarHBondContact O-CG 3.49Å; C698-F702 PolarHBondContact O-N 3.47Å; C698-F702 WeakPolarHBondContact SG-CE2 3.35Å; F699-F702 PolarHBondContact O-N 3.19Å; F702-A705 PolarHBondContact O-N 2.87Å; F702-C706 PolarHBondContact O-N 3.36Å; F702-C706 PolarHBondContact O-SG 3.35Å; F702-I737 HydrophobicContact CB-CG2 3.7Å; F702-I737 HydrophobicContact CD1-CD1 4.19Å; F702-I737 HydrophobicContact CD1-CG1 3.96Å; F702-I737 HydrophobicContact CD1-CG2 4.43Å; F702-I737 HydrophobicContact CD2-CG2 4.11Å; F702-I737 HydrophobicContact CE1-CG1 4.32Å; F702-I737 HydrophobicContact CG-CG1 4.23Å; F702-I737 HydrophobicContact CG-CG2 3.84Å; F702-F740 AromaticContact CD2-CD1 3.91Å; F702-F740 HydrophobicContact CD2-CD1 3.91Å; F702-F740 HydrophobicContact CD2-CE1 4.04Å; F702-F740 AromaticContact CE2-CD1 3.39Å; F702-F740 HydrophobicContact CE2-CD1 3.39Å; F702-F740 AromaticContact CE2-CE1 3.55Å; F702-F740 HydrophobicContact CE2-CE1 3.55Å; F702-F740 HydrophobicContact CE2-CG 4.23Å; F702-F740 HydrophobicContact CE2-CZ 4.49Å; F702-F740 HydrophobicContact CZ-CD1 4.45Å; F702-L771 HydrophobicContact CB-CD1 4.47Å |
| 703 | L | 92.3 | Very high | 79.7 | Confident | 20 Ų | 20 | 52.3 Ų | 52.3 | 11% | 0.105 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 172.7 | -178.4 | 66.8 | 0 | 0 | 0 | 110.8 | F699 Q700 A705 C706 E707 K770 L771 V774 | F699-L703 WeakPolarHBondContact O-CB 3.39Å; F699-L703 PolarHBondContact O-N 2.87Å; Q700-L703 PolarHBondContact O-N 3.3Å; L703-A705 VanDerWaalsContact C-N 3.29Å; L703-A705 PolarHBondContact O-N 3.47Å; L703-C706 CarbonylContact O-C 3.38Å; L703-C706 PolarHBondContact O-N 3.29Å; L703-E707 WeakPolarHBondContact O-CB 3.5Å; L703-E707 PolarHBondContact O-N 3.03Å; L703-K770 HydrophobicContact CD1-CG 4.18Å; L703-K770 HydrophobicContact CD2-CD 3.66Å; L703-K770 HydrophobicContact CD2-CG 4.19Å; L703-L771 HydrophobicContact CB-CD1 4.5Å; L703-L771 HydrophobicContact CD1-CB 4.36Å; L703-L771 HydrophobicContact CD1-CD1 4.45Å; L703-V774 HydrophobicContact CD1-CB 4.2Å; L703-V774 HydrophobicContact CD1-CG1 4.44Å; L703-V774 HydrophobicContact CD1-CG2 4.12Å |
| 704 | R | 88.8 | Confident | 77.6 | Confident | 47 Ų | 47 | 53.8 Ų | 53.8 | 18% | 0.177 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 178.2 | -169.3 | 64.2 | 176.5 | 161.3 | 3.3 | 112 | I650 S655 F658 Q700 V701 C706 E707 V708 | I650-R704 HydrophobicContact CD1-CB 3.87Å; I650-R704 HydrophobicContact CD1-CG 4.14Å; I650-R704 HydrophobicContact CG1-CB 4.42Å; I650-R704 HydrophobicContact CG1-CG 4.12Å; I650-R704 HydrophobicContact CG2-CB 4.3Å; I650-R704 HydrophobicContact CG2-CG 3.86Å; S655-R704 PolarHBondContact OG-NH2 2.93Å; F658-R704 HydrophobicContact CD1-CG 4.12Å; F658-R704 HydrophobicContact CE1-CB 4.26Å; F658-R704 HydrophobicContact CE1-CG 4.01Å; Q700-R704 PolarHBondContact O-N 3.39Å; V701-R704 PolarHBondContact O-N 3.4Å; R704-C706 PolarHBondContact O-N 3.34Å; R704-E707 IonicContact CZ-OE2 2.71Å; R704-E707 IonicContact NH1-OE2 2.83Å; R704-E707 PolarHBondContact NH1-OE2 3.43Å; R704-E707 PolarHBondContact O-N 2.95Å; R704-V708 HydrophobicContact CG-CG2 4.25Å; R704-V708 VanDerWaalsContact NE-CG2 3.27Å |
| 705 | A | 88.5 | Confident | 75.3 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 2% | 0.017 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.2 | -28.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F658 V667 V701 F702 L703 W727 I737 | F658-A705 HydrophobicContact CE1-CB 4.33Å; F658-A705 HydrophobicContact CZ-CB 4.44Å; V667-A705 HydrophobicContact CG1-CB 4.02Å; V701-A705 PolarHBondContact O-N 3.09Å; F702-A705 PolarHBondContact O-N 2.87Å; L703-A705 VanDerWaalsContact C-N 3.29Å; L703-A705 PolarHBondContact O-N 3.47Å; A705-W727 HydrophobicContact CB-CE3 3.79Å; A705-W727 HydrophobicContact CB-CZ3 4.01Å; A705-W727 WeakPolarHBondContact O-CB 3.38Å; A705-I737 HydrophobicContact CB-CD1 3.86Å |
| 706 | C | 87.1 | Confident | 73.1 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -93.6 | -8.6 | 177.3 | -66.5 | 0 | 0 | 0 | 0 | 114.1 | F702 L703 R704 | F702-C706 PolarHBondContact O-N 3.36Å; F702-C706 PolarHBondContact O-SG 3.35Å; L703-C706 CarbonylContact O-C 3.38Å; L703-C706 PolarHBondContact O-N 3.29Å; R704-C706 PolarHBondContact O-N 3.34Å |
| 707 | E | 79.3 | Confident | 71.1 | Confident | 60 Ų | 60 | 62.6 Ų | 62.6 | 28% | 0.28 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -96.7 | -42.7 | -168.3 | -177.3 | -178.1 | -144.2 | 0 | 0 | 115 | L703 R704 V774 R778 | L703-E707 WeakPolarHBondContact O-CB 3.5Å; L703-E707 PolarHBondContact O-N 3.03Å; R704-E707 IonicContact CZ-OE2 2.71Å; R704-E707 IonicContact NH1-OE2 2.83Å; R704-E707 PolarHBondContact NH1-OE2 3.43Å; R704-E707 PolarHBondContact O-N 2.95Å; E707-V774 HydrophobicContact CB-CG1 3.77Å; E707-V774 HydrophobicContact CG-CG1 3.97Å; E707-R778 PolarHBondContact O-NE 3.12Å; E707-R778 VanDerWaalsContact O-NE 3.12Å |
| 708 | V | 66.4 | Low | 68.8 | Low | 16 Ų | 16 | 65.5 Ų | 65.5 | 10% | 0.097 | 36% | 0.362 | C | S | . | . | trans | -76.9 | 134.5 | -155 | 177.7 | 0 | 0 | 0 | 0 | 114.8 | F659 R704 | F659-V708 HydrophobicContact CD2-CB 4.45Å; F659-V708 HydrophobicContact CD2-CG1 4.01Å; F659-V708 HydrophobicContact CE1-CB 3.74Å; F659-V708 HydrophobicContact CE1-CG1 4.25Å; F659-V708 HydrophobicContact CE1-CG2 4.18Å; F659-V708 HydrophobicContact CE2-CB 3.51Å; F659-V708 HydrophobicContact CE2-CG1 3.4Å; F659-V708 HydrophobicContact CE2-CG2 3.47Å; F659-V708 VanDerWaalsContact CE2-CG2 3.47Å; F659-V708 HydrophobicContact CZ-CB 3.11Å; F659-V708 HydrophobicContact CZ-CG1 3.58Å; F659-V708 HydrophobicContact CZ-CG2 3.14Å; R704-V708 HydrophobicContact CG-CG2 4.25Å; R704-V708 VanDerWaalsContact NE-CG2 3.27Å | ||
| 709 | S | 57.5 | Low | 66.6 | Low | 44 Ų | 44 | 70 Ų | 70 | 31% | 0.308 | 38% | 0.382 | S | S | . | . | trans | -144.3 | 30.2 | 170.2 | 75.2 | 0 | 0 | 0 | 0 | 112.5 | Y711 R778 | S709-Y711 PolarHBondContact O-N 3.36Å; S709-R778 PolarHBondContact OG-NH1 3.11Å | ||
| 710 | D | 45.6 | Very low | 64.6 | Low | 133 Ų | 133 | 73.2 Ų | 73.2 | 71% | 0.711 | 40% | 0.4 | S | S | * | . | trans | -76.2 | 65.2 | 174.1 | -71.5 | -30.3 | 0 | 0 | 0 | 110 | ||||
| 711 | Y | 47.1 | Very low | 62.5 | Low | 137 Ų | 137 | 71.8 Ų | 71.8 | 54% | 0.537 | 40% | 0.398 | S | S | . | . | trans | -110.4 | 123.9 | 156.1 | -144.7 | -93.1 | 0 | 0 | 0 | 107.7 | S709 F713 I714 | S709-Y711 PolarHBondContact O-N 3.36Å; Y711-F713 PolarHBondContact O-N 3.14Å; Y711-I714 HydrophobicContact CD1-CD1 4.37Å; Y711-I714 HydrophobicContact CD1-CG1 4.21Å | ||
| 712 | P | 44.5 | Very low | 60.5 | Low | 108 Ų | 108 | 78.2 Ų | 78.2 | 70% | 0.701 | 43% | 0.426 | S | S | * | . | trans | -65.5 | 113.9 | -179 | 25.3 | -30.7 | 0 | 0 | 0 | 109.3 | I714 | P712-I714 PolarHBondContact O-N 3.05Š| ||
| 713 | F | 40.9 | Very low | 58.5 | Low | 176 Ų | 176 | 82.4 Ų | 82.4 | 77% | 0.772 | 45% | 0.449 | S | S | * | . | trans | 37.1 | 82.8 | 156.9 | -157.3 | -92.4 | 0 | 0 | 0 | 115.1 | Y711 P715 | Y711-F713 PolarHBondContact O-N 3.14Å; F713-P715 HydrophobicContact CD1-CG 4.29Å; F713-P715 HydrophobicContact CE1-CB 4.39Å; F713-P715 HydrophobicContact CE1-CG 4.33Å; F713-P715 WeakPolarHBondContact O-CD 3.35Å | ||
| 714 | I | 49.4 | Very low | 56.4 | Low | 84 Ų | 84 | 85.6 Ų | 85.6 | 43% | 0.431 | 47% | 0.471 | S | S | . | . | trans | -77.9 | 117.1 | 158.9 | -57.1 | 177.2 | 0 | 0 | 0 | 106.4 | Y711 P712 S716 | Y711-I714 HydrophobicContact CD1-CD1 4.37Å; Y711-I714 HydrophobicContact CD1-CG1 4.21Å; P712-I714 PolarHBondContact O-N 3.05Å; I714-S716 PolarHBondContact O-N 2.97Å | ||
| 715 | P | 45.4 | Very low | 54.9 | Low | 84 Ų | 84 | 88.4 Ų | 88.4 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | trans | -58.2 | 137.2 | 179.2 | -20.3 | 31.4 | 0 | 0 | 0 | 110.7 | F713 G717 M718 | F713-P715 HydrophobicContact CD1-CG 4.29Å; F713-P715 HydrophobicContact CE1-CB 4.39Å; F713-P715 HydrophobicContact CE1-CG 4.33Å; F713-P715 WeakPolarHBondContact O-CD 3.35Å; P715-G717 PolarHBondContact O-N 3.22Å; P715-M718 PolarHBondContact O-N 3.45Å | ||
| 716 | S | 48.5 | Very low | 54 | Low | 131 Ų | 131 | 90.3 Ų | 90.3 | 92% | 0.916 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 98.3 | 176.9 | -40.7 | 0 | 0 | 0 | 0 | 110.7 | I714 | I714-S716 PolarHBondContact O-N 2.97Š|
| 717 | G | 50 | Low | 53.8 | Low | 74 Ų | 74 | 90.5 Ų | 90.5 | 76% | 0.763 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 151 | -24.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | P715 | P715-G717 PolarHBondContact O-N 3.22Š|
| 718 | M | 45.7 | Very low | 54 | Low | 168 Ų | 168 | 88.6 Ų | 88.6 | 83% | 0.828 | 49% | 0.487 | S | S | * | . | trans | -110.4 | 31 | 174.7 | -78.9 | 179.2 | 64.8 | 0 | 0 | 112.6 | P715 N720 | P715-M718 PolarHBondContact O-N 3.45Å; M718-N720 PolarHBondContact O-N 3.46Å | ||
| 719 | F | 47 | Very low | 54.8 | Low | 94 Ų | 94 | 88.8 Ų | 88.8 | 41% | 0.412 | 49% | 0.487 | S | S | . | . | trans | -75.8 | 108.1 | 178.6 | -171.6 | -103.3 | 0 | 0 | 0 | 109.8 | P721 L726 T782 | F719-P721 HydrophobicContact CD1-CB 4.29Å; F719-P721 HydrophobicContact CE1-CB 3.8Å; F719-P721 HydrophobicContact CE1-CG 4.5Å; F719-P721 VanDerWaalsContact O-CD 3.28Å; F719-P721 WeakPolarHBondContact O-CD 3.12Å; F719-L726 HydrophobicContact CE2-CD1 4Å; F719-L726 HydrophobicContact CZ-CD1 4.19Å; F719-T782 HydrophobicContact CZ-CG2 4.44Å | ||
| 720 | N | 51.8 | Low | 56.1 | Low | 76 Ų | 76 | 88.7 Ų | 88.7 | 41% | 0.406 | 48% | 0.484 | S | S | . | . | trans | -90.3 | 107.5 | 162.4 | -170.2 | -1.3 | 0 | 0 | 0 | 108.1 | M718 F722 D723 | M718-N720 PolarHBondContact O-N 3.46Å; N720-F722 PolarHBondContact O-N 3.44Å; N720-F722 WeakPolarHBondContact OD1-CB 3.33Å; N720-F722 WeakPolarHBondContact OD1-CD2 3.49Å; N720-F722 PolarHBondContact OD1-N 3.34Å; N720-F722 VanDerWaalsContact OD1-N 3.16Å; N720-D723 PolarHBondContact O-N 3.22Å | ||
| 721 | P | 50.2 | Low | 58.1 | Low | 53 Ų | 53 | 83.5 Ų | 83.5 | 34% | 0.344 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -10.8 | 175.7 | 19.7 | -29.2 | 0 | 0 | 0 | 113.7 | F719 | F719-P721 HydrophobicContact CD1-CB 4.29Å; F719-P721 HydrophobicContact CE1-CB 3.8Å; F719-P721 HydrophobicContact CE1-CG 4.5Å; F719-P721 VanDerWaalsContact O-CD 3.28Å; F719-P721 WeakPolarHBondContact O-CD 3.12Å |
| 722 | F | 50.8 | Low | 59.9 | Low | 135 Ų | 135 | 78.6 Ų | 78.6 | 59% | 0.592 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -2.8 | 174.2 | -60.9 | -74.2 | 0 | 0 | 0 | 114.5 | N720 C724 | N720-F722 PolarHBondContact O-N 3.44Å; N720-F722 WeakPolarHBondContact OD1-CB 3.33Å; N720-F722 WeakPolarHBondContact OD1-CD2 3.49Å; N720-F722 PolarHBondContact OD1-N 3.34Å; N720-F722 VanDerWaalsContact OD1-N 3.16Å; F722-C724 PolarHBondContact O-N 2.86Å; F722-C724 PolarHBondContact O-SG 3.44Å; F722-C724 VanDerWaalsContact O-SG 3.36Å |
| 723 | D | 51.1 | Low | 62 | Low | 89 Ų | 89 | 73.4 Ų | 73.4 | 48% | 0.476 | 41% | 0.41 | S | S | . | . | trans | -67.3 | 104.3 | 174.5 | -78.2 | -27.6 | 0 | 0 | 0 | 110.4 | N720 Q725 | N720-D723 PolarHBondContact O-N 3.22Å; D723-Q725 PolarHBondContact O-N 2.87Å | ||
| 724 | C | 48.4 | Very low | 64.4 | Low | 86 Ų | 86 | 65.1 Ų | 65.1 | 58% | 0.581 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 6.5 | -165.6 | -71.5 | 0 | 0 | 0 | 0 | 116.8 | F722 | F722-C724 PolarHBondContact O-N 2.86Å; F722-C724 PolarHBondContact O-SG 3.44Å; F722-C724 VanDerWaalsContact O-SG 3.36Å |
| 725 | Q | 57.5 | Low | 66.5 | Low | 107 Ų | 107 | 61.2 Ų | 61.2 | 50% | 0.5 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -17.9 | -176.6 | -64 | -176.4 | 2.3 | 0 | 0 | 113.1 | D723 W727 | D723-Q725 PolarHBondContact O-N 2.87Å; Q725-W727 PolarHBondContact O-N 3.11Å |
| 726 | L | 70.2 | Confident | 68.7 | Low | 42 Ų | 42 | 57.3 Ų | 57.3 | 22% | 0.22 | 33% | 0.328 | C | S | . | . | trans | -92.6 | 77.9 | 179.3 | -57.3 | 174.9 | 0 | 0 | 0 | 110.9 | F719 Y728 M729 | F719-L726 HydrophobicContact CE2-CD1 4Å; F719-L726 HydrophobicContact CZ-CD1 4.19Å; L726-Y728 HydrophobicContact CB-CD1 4.3Å; L726-Y728 HydrophobicContact CB-CE1 3.8Å; L726-Y728 HydrophobicContact CD2-CE1 3.67Å; L726-Y728 HydrophobicContact CG-CE1 4.21Å; L726-Y728 PolarHBondContact O-N 3Å; L726-Y728 VanDerWaalsContact O-N 3.08Å; L726-M729 PolarHBondContact O-N 3.48Å | ||
| 727 | W | 83.5 | Confident | 71 | Confident | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.011 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -57.7 | -27.7 | -175.3 | -70 | 9.4 | 0 | 0 | 0 | 113.7 | F658 F659 K664 V667 A705 Q725 M729 D730 V733 V734 | F658-W727 HydrophobicContact CD1-CH2 4.17Å; F658-W727 HydrophobicContact CD1-CZ3 4.14Å; F658-W727 HydrophobicContact CE1-CE3 4.33Å; F658-W727 AromaticContact CE1-CH2 3.96Å; F658-W727 HydrophobicContact CE1-CH2 3.96Å; F658-W727 AromaticContact CE1-CZ3 3.51Å; F658-W727 HydrophobicContact CE1-CZ3 3.51Å; F658-W727 HydrophobicContact CZ-CH2 4.34Å; F658-W727 AromaticContact CZ-CZ3 3.9Å; F658-W727 HydrophobicContact CZ-CZ3 3.9Å; F658-W727 WeakPolarHBondContact O-CH2 3.47Å; F658-W727 WeakPolarHBondContact O-CZ2 3.45Å; F659-W727 AromaticContact CD1-CD2 3.98Å; F659-W727 HydrophobicContact CD1-CD2 3.98Å; F659-W727 AromaticContact CD1-CE2 3.77Å; F659-W727 HydrophobicContact CD1-CE3 4.43Å; F659-W727 HydrophobicContact CD1-CG 4.33Å; F659-W727 HydrophobicContact CD1-CH2 4.49Å; F659-W727 HydrophobicContact CD1-CZ2 4.05Å; F659-W727 AromaticContact CD1-NE1 4Å; F659-W727 HydrophobicContact CE1-CD2 4.11Å; F659-W727 HydrophobicContact CE1-CE3 4.21Å; F659-W727 HydrophobicContact CE1-CG 4.49Å; K664-W727 VanDerWaalsContact CA-CH2 3.43Å; K664-W727 VanDerWaalsContact CA-CZ2 3.42Å; K664-W727 HydrophobicContact CB-CH2 3.97Å; K664-W727 HydrophobicContact CB-CZ2 3.38Å; K664-W727 HydrophobicContact CG-CD2 4.21Å; K664-W727 HydrophobicContact CG-CZ2 3.92Å; V667-W727 HydrophobicContact CB-CZ3 4.44Å; V667-W727 HydrophobicContact CG2-CZ3 4.16Å; A705-W727 HydrophobicContact CB-CE3 3.79Å; A705-W727 HydrophobicContact CB-CZ3 4.01Å; A705-W727 WeakPolarHBondContact O-CB 3.38Å; Q725-W727 PolarHBondContact O-N 3.11Å; W727-M729 PolarHBondContact O-N 3.11Å; W727-D730 PolarHBondContact O-N 3.18Å; W727-V733 HydrophobicContact CB-CG1 4.45Å; W727-V733 HydrophobicContact CE3-CG1 4.21Å; W727-V734 WeakPolarHBondContact O-CG2 3.29Å |
| 728 | Y | 82.6 | Confident | 73.2 | Confident | 20 Ų | 20 | 47.5 Ų | 47.5 | 8% | 0.078 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -64.1 | -22.1 | 176.2 | 65.3 | -93.6 | 0 | 0 | 0 | 113.8 | L726 Y775 R778 | L726-Y728 HydrophobicContact CB-CD1 4.3Å; L726-Y728 HydrophobicContact CB-CE1 3.8Å; L726-Y728 HydrophobicContact CD2-CE1 3.67Å; L726-Y728 HydrophobicContact CG-CE1 4.21Å; L726-Y728 PolarHBondContact O-N 3Å; L726-Y728 VanDerWaalsContact O-N 3.08Å; Y728-Y775 VanDerWaalsContact O-CE2 3.31Å; Y728-Y775 WeakPolarHBondContact O-CE2 3.46Å; Y728-R778 HydrophobicContact CD1-CB 4.34Å; Y728-R778 HydrophobicContact CD2-CB 3.95Å; Y728-R778 HydrophobicContact CE1-CB 4.43Å; Y728-R778 HydrophobicContact CE2-CB 4.02Å; Y728-R778 HydrophobicContact CG-CB 4.12Å |
| 729 | M | 83.2 | Confident | 75.6 | Confident | 20 Ų | 20 | 42.8 Ų | 42.8 | 10% | 0.099 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -87.3 | -17.4 | 172.8 | -71.6 | -65.4 | 165 | 0 | 0 | 112.9 | L726 W727 S731 L779 T782 I793 | L726-M729 PolarHBondContact O-N 3.48Å; W727-M729 PolarHBondContact O-N 3.11Å; M729-S731 PolarHBondContact O-N 2.87Å; M729-L779 HydrophobicContact CE-CD1 3.53Å; M729-L779 HydrophobicContact SD-CD1 3.89Å; M729-T782 HydrophobicContact CE-CG2 3.39Å; M729-T782 WeakPolarHBondContact CE-OG1 3.47Å; M729-T782 HydrophobicContact SD-CG2 4.31Å; M729-I793 HydrophobicContact CB-CG2 4.26Å; M729-I793 HydrophobicContact CG-CG2 4.42Å; M729-I793 HydrophobicContact SD-CG2 3.25Å; M729-I793 WeakPolarHBondContact SD-CG2 3.43Å |
| 730 | D | 85.5 | Confident | 77.9 | Confident | 43 Ų | 43 | 38.3 Ų | 38.3 | 23% | 0.23 | 20% | 0.201 | C | C | . | . | trans | -83.2 | 100.4 | -179.3 | -166.6 | -16.9 | 0 | 0 | 0 | 110.9 | K664 W727 S732 V733 V734 | K664-D730 WeakPolarHBondContact CE-OD2 3.19Å; K664-D730 IonicContact NZ-OD2 3.59Å; K664-D730 PolarHBondContact NZ-OD2 3.14Å; W727-D730 PolarHBondContact O-N 3.18Å; D730-S732 PolarHBondContact O-N 3.04Å; D730-S732 WeakPolarHBondContact OD1-CA 3.4Å; D730-S732 WeakPolarHBondContact OD1-CB 3.18Å; D730-S732 PolarHBondContact OD1-N 3.2Å; D730-S732 PolarHBondContact OD1-OG 2.81Å; D730-S732 PolarHBondContact OD2-OG 3.37Å; D730-S732 VanDerWaalsContact OD2-OG 3.07Å; D730-V733 HydrophobicContact CB-CB 4.47Å; D730-V733 HydrophobicContact CB-CG2 4.13Å; D730-V733 PolarHBondContact O-N 2.94Å; D730-V734 PolarHBondContact O-N 2.98Å | ||
| 731 | S | 87.6 | Confident | 80 | Confident | 23 Ų | 23 | 34.8 Ų | 34.8 | 16% | 0.161 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -52.5 | -27.9 | 173.7 | -155.8 | 0 | 0 | 0 | 0 | 113.2 | M729 V733 S735 N792 K796 | M729-S731 PolarHBondContact O-N 2.87Å; S731-V733 VanDerWaalsContact C-N 3.31Å; S731-S735 WeakPolarHBondContact O-CB 3.34Å; S731-S735 PolarHBondContact O-N 3.4Å; S731-S735 PolarHBondContact O-OG 3.31Å; S731-S735 PolarHBondContact OG-OG 3.44Å; S731-N792 WeakPolarHBondContact CB-O 3.34Å; S731-N792 PolarHBondContact OG-O 2.9Å; S731-K796 PolarHBondContact OG-NZ 2.9Å |
| 732 | S | 85 | Confident | 82.1 | Confident | 34 Ų | 34 | 33.8 Ų | 33.8 | 24% | 0.238 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71.4 | -25.1 | -179.9 | 77.8 | 0 | 0 | 0 | 0 | 113.1 | T668 D730 P736 | T668-S732 WeakPolarHBondContact CG2-O 3.28Å; D730-S732 PolarHBondContact O-N 3.04Å; D730-S732 WeakPolarHBondContact OD1-CA 3.4Å; D730-S732 WeakPolarHBondContact OD1-CB 3.18Å; D730-S732 PolarHBondContact OD1-N 3.2Å; D730-S732 PolarHBondContact OD1-OG 2.81Å; D730-S732 PolarHBondContact OD2-OG 3.37Å; D730-S732 VanDerWaalsContact OD2-OG 3.07Å; S732-P736 WeakPolarHBondContact O-CD 3.36Å; S732-P736 WeakPolarHBondContact O-CG 3.44Å |
| 733 | V | 88.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -96.2 | -53.3 | 178.4 | -176.7 | 0 | 0 | 0 | 0 | 110.9 | K664 W727 D730 S731 P736 I737 | K664-V733 HydrophobicContact CD-CG2 4.14Å; K664-V733 HydrophobicContact CG-CG2 3.67Å; W727-V733 HydrophobicContact CB-CG1 4.45Å; W727-V733 HydrophobicContact CE3-CG1 4.21Å; D730-V733 HydrophobicContact CB-CB 4.47Å; D730-V733 HydrophobicContact CB-CG2 4.13Å; D730-V733 PolarHBondContact O-N 2.94Å; S731-V733 VanDerWaalsContact C-N 3.31Å; V733-P736 WeakPolarHBondContact O-CD 3.25Å; V733-P736 WeakPolarHBondContact O-CG 3.38Å; V733-I737 HydrophobicContact CG1-CD1 4.17Å; V733-I737 WeakPolarHBondContact O-CG1 3.16Å; V733-I737 PolarHBondContact O-N 3.48Å |
| 734 | V | 91 | Very high | 86.2 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -69.5 | -41.1 | -173.6 | 178.9 | 0 | 0 | 0 | 0 | 112.3 | W727 D730 I737 L738 Y775 | W727-V734 WeakPolarHBondContact O-CG2 3.29Å; D730-V734 PolarHBondContact O-N 2.98Å; V734-I737 PolarHBondContact O-N 3.47Å; V734-I737 VanDerWaalsContact O-N 3.13Å; V734-L738 HydrophobicContact CG1-CD1 3.56Å; V734-L738 HydrophobicContact CG1-CG 3.82Å; V734-L738 WeakPolarHBondContact O-CG 3.43Å; V734-L738 PolarHBondContact O-N 3.46Å; V734-Y775 HydrophobicContact CB-CE2 4.44Å; V734-Y775 HydrophobicContact CG1-CD2 4.15Å; V734-Y775 HydrophobicContact CG1-CE2 3.62Å; V734-Y775 HydrophobicContact CG2-CE2 4.12Å |
| 735 | S | 93 | Very high | 88.1 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.014 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.1 | -46.7 | -179.7 | -61.2 | 0 | 0 | 0 | 0 | 112.7 | S731 R739 K796 | S731-S735 WeakPolarHBondContact O-CB 3.34Å; S731-S735 PolarHBondContact O-N 3.4Å; S731-S735 PolarHBondContact O-OG 3.31Å; S731-S735 PolarHBondContact OG-OG 3.44Å; S735-R739 VanDerWaalsContact O-CB 3.24Å; S735-R739 WeakPolarHBondContact O-CB 2.97Å; S735-R739 WeakPolarHBondContact O-CD 3.36Å; S735-R739 WeakPolarHBondContact O-CG 3.34Å; S735-R739 PolarHBondContact O-N 3.49Å; S735-K796 VanDerWaalsContact OG-CE 3.27Å; S735-K796 WeakPolarHBondContact OG-CE 3.31Å; S735-K796 PolarHBondContact OG-NZ 3.26Å |
| 736 | P | 92.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -54.2 | -46.7 | 171.7 | -14.9 | 11.4 | 0 | 0 | 0 | 113.9 | T668 A671 R672 S732 V733 R739 F740 | T668-P736 HydrophobicContact CG2-CG 3.9Å; A671-P736 HydrophobicContact CB-CB 3.79Å; R672-P736 HydrophobicContact CG-CB 4.13Å; S732-P736 WeakPolarHBondContact O-CD 3.36Å; S732-P736 WeakPolarHBondContact O-CG 3.44Å; V733-P736 WeakPolarHBondContact O-CD 3.25Å; V733-P736 WeakPolarHBondContact O-CG 3.38Å; P736-R739 PolarHBondContact O-N 3.11Å; P736-F740 WeakPolarHBondContact O-CB 3.07Å; P736-F740 PolarHBondContact O-N 2.95Å |
| 737 | I | 95.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.9 | -54.6 | -178.9 | -66 | 170.1 | 0 | 0 | 0 | 110.1 | V667 A671 F702 A705 V733 V734 R739 F740 C741 | V667-I737 HydrophobicContact CG1-CD1 3.94Å; V667-I737 HydrophobicContact CG1-CG1 4.46Å; A671-I737 HydrophobicContact CB-CG1 4.04Å; F702-I737 HydrophobicContact CB-CG2 3.7Å; F702-I737 HydrophobicContact CD1-CD1 4.19Å; F702-I737 HydrophobicContact CD1-CG1 3.96Å; F702-I737 HydrophobicContact CD1-CG2 4.43Å; F702-I737 HydrophobicContact CD2-CG2 4.11Å; F702-I737 HydrophobicContact CE1-CG1 4.32Å; F702-I737 HydrophobicContact CG-CG1 4.23Å; F702-I737 HydrophobicContact CG-CG2 3.84Å; A705-I737 HydrophobicContact CB-CD1 3.86Å; V733-I737 HydrophobicContact CG1-CD1 4.17Å; V733-I737 WeakPolarHBondContact O-CG1 3.16Å; V733-I737 PolarHBondContact O-N 3.48Å; V734-I737 PolarHBondContact O-N 3.47Å; V734-I737 VanDerWaalsContact O-N 3.13Å; I737-R739 VanDerWaalsContact C-N 3.3Å; I737-R739 PolarHBondContact O-N 3.43Å; I737-F740 WeakPolarHBondContact O-CB 2.88Å; I737-F740 PolarHBondContact O-N 3.33Å; I737-F740 VanDerWaalsContact O-N 3.12Å; I737-C741 PolarHBondContact O-N 3.42Å; I737-C741 PolarHBondContact O-SG 3.42Å; I737-C741 VanDerWaalsContact O-SG 3.32Å |
| 738 | L | 96 | Very high | 90.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.4 | -37.7 | -179.4 | -63.9 | 178.7 | 0 | 0 | 0 | 111.9 | V734 C741 I742 L771 Y775 L800 M804 | V734-L738 HydrophobicContact CG1-CD1 3.56Å; V734-L738 HydrophobicContact CG1-CG 3.82Å; V734-L738 WeakPolarHBondContact O-CG 3.43Å; V734-L738 PolarHBondContact O-N 3.46Å; L738-C741 PolarHBondContact O-N 3.28Å; L738-I742 VanDerWaalsContact O-CG1 3.27Å; L738-I742 WeakPolarHBondContact O-CG1 3.38Å; L738-I742 PolarHBondContact O-N 3.43Å; L738-L771 HydrophobicContact CD2-CD2 3.37Å; L738-Y775 HydrophobicContact CD1-CE1 4.4Å; L738-L800 HydrophobicContact CB-CB 3.77Å; L738-L800 HydrophobicContact CB-CD1 4.14Å; L738-L800 HydrophobicContact CD1-CB 3.69Å; L738-L800 HydrophobicContact CD1-CD1 4.31Å; L738-L800 HydrophobicContact CG-CB 4.38Å; L738-M804 HydrophobicContact CD2-CE 4.38Å; L738-M804 HydrophobicContact CD2-SD 4.28Å |
| 739 | R | 96 | Very high | 90.5 | Very high | 69 Ų | 69 | 24.9 Ų | 24.9 | 26% | 0.26 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -67.5 | -34.3 | 175.9 | -74.7 | 174.6 | -177.1 | 173 | -2.7 | 113.2 | S735 P736 I737 E743 L800 | S735-R739 VanDerWaalsContact O-CB 3.24Å; S735-R739 WeakPolarHBondContact O-CB 2.97Å; S735-R739 WeakPolarHBondContact O-CD 3.36Å; S735-R739 WeakPolarHBondContact O-CG 3.34Å; S735-R739 PolarHBondContact O-N 3.49Å; P736-R739 PolarHBondContact O-N 3.11Å; I737-R739 VanDerWaalsContact C-N 3.3Å; I737-R739 PolarHBondContact O-N 3.43Å; R739-E743 WeakPolarHBondContact O-CB 3.38Å; R739-E743 PolarHBondContact O-N 3.45Å; R739-E743 VanDerWaalsContact O-N 3.08Å; R739-L800 HydrophobicContact CG-CD1 4.28Å; R739-L800 HydrophobicContact CG-CD2 3.75Å |
| 740 | F | 96.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.1 | -45.9 | 170.4 | 162.6 | -101.8 | 0 | 0 | 0 | 110.5 | L674 R675 F678 I694 F699 F702 P736 I737 I742 E743 I744 | L674-F740 HydrophobicContact CB-CD2 3.68Å; L674-F740 HydrophobicContact CB-CE2 3.53Å; L674-F740 HydrophobicContact CB-CZ 4.27Å; L674-F740 HydrophobicContact CD1-CE2 4.35Å; L674-F740 HydrophobicContact CD1-CZ 4.28Å; R675-F740 HydrophobicContact CB-CB 4.22Å; R675-F740 HydrophobicContact CB-CD2 4.46Å; F678-F740 AromaticContact CD2-CE2 3.83Å; F678-F740 HydrophobicContact CD2-CE2 3.83Å; F678-F740 HydrophobicContact CE2-CE2 4.15Å; F678-F740 HydrophobicContact CG-CE2 4.38Å; I694-F740 HydrophobicContact CD1-CE2 4.39Å; I694-F740 HydrophobicContact CD1-CZ 3.71Å; F699-F740 HydrophobicContact CZ-CE1 4.16Å; F702-F740 AromaticContact CD2-CD1 3.91Å; F702-F740 HydrophobicContact CD2-CD1 3.91Å; F702-F740 HydrophobicContact CD2-CE1 4.04Å; F702-F740 AromaticContact CE2-CD1 3.39Å; F702-F740 HydrophobicContact CE2-CD1 3.39Å; F702-F740 AromaticContact CE2-CE1 3.55Å; F702-F740 HydrophobicContact CE2-CE1 3.55Å; F702-F740 HydrophobicContact CE2-CG 4.23Å; F702-F740 HydrophobicContact CE2-CZ 4.49Å; F702-F740 HydrophobicContact CZ-CD1 4.45Å; P736-F740 WeakPolarHBondContact O-CB 3.07Å; P736-F740 PolarHBondContact O-N 2.95Å; I737-F740 WeakPolarHBondContact O-CB 2.88Å; I737-F740 PolarHBondContact O-N 3.33Å; I737-F740 VanDerWaalsContact O-N 3.12Å; F740-I742 VanDerWaalsContact C-N 3.33Å; F740-I742 PolarHBondContact O-N 2.9Å; F740-E743 WeakPolarHBondContact O-CB 3.4Å; F740-E743 PolarHBondContact O-N 3.43Å; F740-E743 VanDerWaalsContact O-N 3.1Å; F740-I744 HydrophobicContact CE1-CD1 4.46Å; F740-I744 HydrophobicContact CE1-CG2 4.46Å; F740-I744 HydrophobicContact CE2-CB 4.37Å; F740-I744 HydrophobicContact CE2-CD1 4.22Å; F740-I744 HydrophobicContact CZ-CB 4.36Å; F740-I744 HydrophobicContact CZ-CD1 3.7Å; F740-I744 HydrophobicContact CZ-CG2 4.42Å; F740-I744 PolarHBondContact O-N 2.85Å |
| 741 | C | 95.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.7 | -39.1 | 177.2 | -61.7 | 0 | 0 | 0 | 0 | 112.6 | I737 L738 I744 G745 F768 M804 | I737-C741 PolarHBondContact O-N 3.42Å; I737-C741 PolarHBondContact O-SG 3.42Å; I737-C741 VanDerWaalsContact O-SG 3.32Å; L738-C741 PolarHBondContact O-N 3.28Å; C741-I744 WeakPolarHBondContact O-CG2 3.39Å; C741-G745 PolarHBondContact O-N 3.21Å; C741-F768 HydrophobicContact CB-CE1 4.17Å; C741-F768 HydrophobicContact CB-CE2 4.37Å; C741-F768 HydrophobicContact CB-CZ 4.01Å; C741-F768 VanDerWaalsContact O-CE2 3.26Å; C741-F768 WeakPolarHBondContact O-CE2 3.47Å; C741-F768 WeakPolarHBondContact O-CZ 3.28Å; C741-M804 HydrophobicContact CB-CG 4.06Å; C741-M804 HydrophobicContact CB-SD 3.22Å; C741-M804 WeakPolarHBondContact CB-SD 2.87Å |
| 742 | I | 95.2 | Very high | 90 | Very high | 32 Ų | 32 | 26.3 Ų | 26.3 | 16% | 0.164 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61 | -46.5 | 172.2 | -66 | 160.1 | 0 | 0 | 0 | 110.6 | L738 F740 G745 T746 L800 A803 M804 | L738-I742 VanDerWaalsContact O-CG1 3.27Å; L738-I742 WeakPolarHBondContact O-CG1 3.38Å; L738-I742 PolarHBondContact O-N 3.43Å; F740-I742 VanDerWaalsContact C-N 3.33Å; F740-I742 PolarHBondContact O-N 2.9Å; I742-G745 PolarHBondContact O-N 2.68Å; I742-T746 WeakPolarHBondContact O-CB 3.41Å; I742-T746 PolarHBondContact O-N 3.3Å; I742-T746 PolarHBondContact O-OG1 3.08Å; I742-L800 HydrophobicContact CD1-CB 4.24Å; I742-L800 HydrophobicContact CD1-CD2 3.66Å; I742-A803 HydrophobicContact CD1-CB 3.64Å; I742-A803 HydrophobicContact CG1-CB 4.11Å; I742-M804 HydrophobicContact CG1-CB 3.84Å; I742-M804 HydrophobicContact CG1-CG 4.44Å |
| 743 | E | 94.5 | Very high | 89.4 | Confident | 18 Ų | 18 | 29.1 Ų | 29.1 | 8% | 0.084 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.8 | -47.1 | -177.8 | 179.3 | 54.5 | -130.2 | 0 | 0 | 111.9 | R675 F678 A679 R739 F740 G745 T746 R748 R751 | R675-E743 HydrophobicContact CG-CB 4.2Å; R675-E743 HydrophobicContact CG-CG 4.28Å; F678-E743 HydrophobicContact CB-CG 4.13Å; A679-E743 WeakPolarHBondContact CA-OE1 3.21Å; R739-E743 WeakPolarHBondContact O-CB 3.38Å; R739-E743 PolarHBondContact O-N 3.45Å; R739-E743 VanDerWaalsContact O-N 3.08Å; F740-E743 WeakPolarHBondContact O-CB 3.4Å; F740-E743 PolarHBondContact O-N 3.43Å; F740-E743 VanDerWaalsContact O-N 3.1Å; E743-G745 VanDerWaalsContact C-N 3.31Å; E743-G745 PolarHBondContact O-N 3.48Å; E743-T746 PolarHBondContact O-N 2.87Å; E743-R748 IonicContact OE1-CZ 2.96Å; E743-R748 IonicContact OE1-NH1 3.14Å; E743-R748 PolarHBondContact OE1-NH1 3.42Å; E743-R748 VanDerWaalsContact OE1-NH1 3.11Å; E743-R748 IonicContact OE1-NH2 3.32Å; E743-R748 PolarHBondContact OE1-NH2 2.83Å; E743-R748 IonicContact OE2-CZ 2.78Å; E743-R748 IonicContact OE2-NH1 3.11Å; E743-R748 PolarHBondContact OE2-NH1 3.24Å; E743-R748 IonicContact OE2-NH2 2.65Å; E743-R751 PolarHBondContact O-NH2 3.31Å; E743-R751 IonicContact OE1-CZ 3.62Å; E743-R751 IonicContact OE1-NH1 3.2Å; E743-R751 IonicContact OE1-NH2 3.1Å; E743-R751 PolarHBondContact OE1-NH2 2.93Å |
| 744 | I | 92.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.6 | -30.8 | 178.6 | -163.2 | 168.4 | 0 | 0 | 0 | 112.5 | F678 Y687 F691 I694 F699 F740 C741 F768 | F678-I744 HydrophobicContact CD1-CB 4.38Å; F678-I744 HydrophobicContact CD1-CD1 4.16Å; F678-I744 HydrophobicContact CD1-CG1 3.83Å; F678-I744 HydrophobicContact CE1-CD1 3.7Å; F678-I744 HydrophobicContact CE1-CG1 3.74Å; F678-I744 HydrophobicContact CE2-CD1 4.4Å; F678-I744 HydrophobicContact CZ-CD1 3.83Å; F678-I744 HydrophobicContact CZ-CG1 4.38Å; Y687-I744 HydrophobicContact CE2-CG1 4.16Å; Y687-I744 WeakPolarHBondContact OH-CG1 3.2Å; Y687-I744 PolarHBondContact OH-O 3.22Å; F691-I744 HydrophobicContact CD2-CD1 3.69Å; F691-I744 HydrophobicContact CD2-CG1 4.11Å; F691-I744 HydrophobicContact CE2-CD1 3.83Å; F691-I744 HydrophobicContact CE2-CG1 4.28Å; I694-I744 HydrophobicContact CD1-CD1 3.99Å; F699-I744 HydrophobicContact CE2-CD1 4.19Å; F699-I744 HydrophobicContact CZ-CD1 4.11Å; F699-I744 HydrophobicContact CZ-CG2 4.07Å; F740-I744 HydrophobicContact CE1-CD1 4.46Å; F740-I744 HydrophobicContact CE1-CG2 4.46Å; F740-I744 HydrophobicContact CE2-CB 4.37Å; F740-I744 HydrophobicContact CE2-CD1 4.22Å; F740-I744 HydrophobicContact CZ-CB 4.36Å; F740-I744 HydrophobicContact CZ-CD1 3.7Å; F740-I744 HydrophobicContact CZ-CG2 4.42Å; F740-I744 PolarHBondContact O-N 2.85Å; C741-I744 WeakPolarHBondContact O-CG2 3.39Å; I744-F768 HydrophobicContact CG2-CE1 4.16Å; I744-F768 HydrophobicContact CG2-CZ 3.72Å |
| 745 | G | 89 | Confident | 87.4 | Confident | 6 Ų | 6 | 34.6 Ų | 34.6 | 6% | 0.062 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -76.7 | -20.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | C741 I742 E743 N747 | C741-G745 PolarHBondContact O-N 3.21Å; I742-G745 PolarHBondContact O-N 2.68Å; E743-G745 VanDerWaalsContact C-N 3.31Å; E743-G745 PolarHBondContact O-N 3.48Å; G745-N747 PolarHBondContact O-N 2.6Å |
| 746 | T | 90 | Very high | 86.2 | Confident | 43 Ų | 43 | 42.3 Ų | 42.3 | 26% | 0.264 | 22% | 0.217 | S | C | . | . | trans | -76.9 | 116.1 | -177.1 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | I742 E743 R748 R751 | I742-T746 WeakPolarHBondContact O-CB 3.41Å; I742-T746 PolarHBondContact O-N 3.3Å; I742-T746 PolarHBondContact O-OG1 3.08Å; E743-T746 PolarHBondContact O-N 2.87Å; T746-R748 VanDerWaalsContact C-N 3.3Å; T746-R748 HydrophobicContact CG2-CG 3.7Å; T746-R748 PolarHBondContact O-N 3.43Å; T746-R751 PolarHBondContact O-NE 3.22Å; T746-R751 PolarHBondContact O-NH2 3.02Å | ||
| 747 | N | 87.2 | Confident | 85.2 | Confident | 27 Ų | 27 | 47.1 Ų | 47.1 | 14% | 0.144 | 25% | 0.251 | C | S | . | . | trans | -83.2 | 58.4 | -179.9 | -168.1 | 11.9 | 0 | 0 | 0 | 113.7 | G745 Q750 R751 V752 G811 | G745-N747 PolarHBondContact O-N 2.6Å; N747-Q750 VanDerWaalsContact OD1-CA 3.23Å; N747-Q750 WeakPolarHBondContact OD1-CA 3.48Å; N747-R751 PolarHBondContact OD1-N 2.92Å; N747-V752 HydrophobicContact CB-CB 4.09Å; N747-V752 HydrophobicContact CB-CG2 4.24Å; N747-V752 PolarHBondContact ND2-O 3.15Å; N747-V752 PolarHBondContact OD1-N 3.01Å; N747-G811 PolarHBondContact ND2-O 3.31Å | ||
| 748 | R | 85.4 | Confident | 84.4 | Confident | 100 Ų | 100 | 49.5 Ų | 49.5 | 38% | 0.377 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -65.8 | 140 | 173.7 | -61.5 | -161.9 | -63.7 | -104.7 | -2.4 | 110.5 | A679 E743 T746 Q750 R751 | A679-R748 PolarHBondContact O-NH2 3.42Å; E743-R748 IonicContact OE1-CZ 2.96Å; E743-R748 IonicContact OE1-NH1 3.14Å; E743-R748 PolarHBondContact OE1-NH1 3.42Å; E743-R748 VanDerWaalsContact OE1-NH1 3.11Å; E743-R748 IonicContact OE1-NH2 3.32Å; E743-R748 PolarHBondContact OE1-NH2 2.83Å; E743-R748 IonicContact OE2-CZ 2.78Å; E743-R748 IonicContact OE2-NH1 3.11Å; E743-R748 PolarHBondContact OE2-NH1 3.24Å; E743-R748 IonicContact OE2-NH2 2.65Å; T746-R748 VanDerWaalsContact C-N 3.3Å; T746-R748 HydrophobicContact CG2-CG 3.7Å; T746-R748 PolarHBondContact O-N 3.43Å; R748-Q750 PolarHBondContact O-N 3.38Å; R748-R751 WeakPolarHBondContact O-CB 3.48Å; R748-R751 VanDerWaalsContact O-CG 3.29Å; R748-R751 WeakPolarHBondContact O-CG 3.24Å; R748-R751 PolarHBondContact O-N 3.12Å; R748-R751 VanDerWaalsContact O-N 3.17Å |
| 749 | S | 80.7 | Confident | 83.6 | Confident | 101 Ų | 101 | 53.1 Ų | 53.1 | 71% | 0.706 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | 54.6 | 24.9 | 178.4 | -51.4 | 0 | 0 | 0 | 0 | 114.7 | R751 | S749-R751 PolarHBondContact O-N 3.4Š|
| 750 | Q | 82.7 | Confident | 83 | Confident | 108 Ų | 108 | 51.3 Ų | 51.3 | 51% | 0.505 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | 59.8 | 28.6 | -178 | -62.4 | -68.1 | -24.8 | 0 | 0 | 114.2 | N747 R748 V752 Q753 | N747-Q750 VanDerWaalsContact OD1-CA 3.23Å; N747-Q750 WeakPolarHBondContact OD1-CA 3.48Å; R748-Q750 PolarHBondContact O-N 3.38Å; Q750-V752 PolarHBondContact O-N 2.87Å; Q750-Q753 WeakPolarHBondContact O-CG 3.32Å |
| 751 | R | 84.4 | Confident | 82.5 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | trans | -68.9 | -28 | -178.9 | 72.5 | -172.5 | 178.8 | 172.2 | -0.5 | 114.4 | F678 L681 Y687 E743 T746 N747 R748 S749 Q753 | F678-R751 PolarHBondContact O-NH1 3.43Å; L681-R751 WeakPolarHBondContact O-CD 3.35Å; L681-R751 PolarHBondContact O-NH1 3.27Å; Y687-R751 HydrophobicContact CD2-CG 4.1Å; Y687-R751 HydrophobicContact CG-CG 4.32Å; E743-R751 PolarHBondContact O-NH2 3.31Å; E743-R751 IonicContact OE1-CZ 3.62Å; E743-R751 IonicContact OE1-NH1 3.2Å; E743-R751 IonicContact OE1-NH2 3.1Å; E743-R751 PolarHBondContact OE1-NH2 2.93Å; T746-R751 PolarHBondContact O-NE 3.22Å; T746-R751 PolarHBondContact O-NH2 3.02Å; N747-R751 PolarHBondContact OD1-N 2.92Å; R748-R751 WeakPolarHBondContact O-CB 3.48Å; R748-R751 VanDerWaalsContact O-CG 3.29Å; R748-R751 WeakPolarHBondContact O-CG 3.24Å; R748-R751 PolarHBondContact O-N 3.12Å; R748-R751 VanDerWaalsContact O-N 3.17Å; S749-R751 PolarHBondContact O-N 3.4Å; R751-Q753 PolarHBondContact O-N 2.9Å | ||
| 752 | V | 80.1 | Confident | 82.1 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.024 | 30% | 0.297 | C | S | . | . | trans | -98.8 | 74.7 | -177.4 | -165.8 | 0 | 0 | 0 | 0 | 109.3 | Y687 N747 Q750 Y754 C813 | Y687-V752 HydrophobicContact CD2-CG2 4.49Å; Y687-V752 HydrophobicContact CE1-CG1 4.33Å; Y687-V752 HydrophobicContact CE1-CG2 3.99Å; Y687-V752 HydrophobicContact CE2-CG2 3.88Å; N747-V752 HydrophobicContact CB-CB 4.09Å; N747-V752 HydrophobicContact CB-CG2 4.24Å; N747-V752 PolarHBondContact ND2-O 3.15Å; N747-V752 PolarHBondContact OD1-N 3.01Å; Q750-V752 PolarHBondContact O-N 2.87Å; V752-Y754 HydrophobicContact CG1-CD2 4.27Å; V752-Y754 HydrophobicContact CG1-CE2 3.48Å; V752-Y754 VanDerWaalsContact CG1-CE2 3.48Å; V752-C813 HydrophobicContact CG1-CB 4.39Å; V752-C813 WeakPolarHBondContact CG1-SG 3.22Å; V752-C813 PolarHBondContact O-SG 3.41Å | ||
| 753 | Q | 71.8 | Confident | 81.9 | Confident | 94 Ų | 94 | 54.5 Ų | 54.5 | 44% | 0.439 | 30% | 0.301 | S | S | . | . | trans | -121.9 | 103.2 | 175.6 | -73.7 | -172.6 | -6.3 | 0 | 0 | 110.8 | K684 Q750 R751 | K684-Q753 WeakPolarHBondContact CE-O 3.41Å; K684-Q753 PolarHBondContact NZ-O 3.25Å; Q750-Q753 WeakPolarHBondContact O-CG 3.32Å; R751-Q753 PolarHBondContact O-N 2.9Å | ||
| 754 | Y | 70.6 | Confident | 81.6 | Confident | 54 Ų | 54 | 54.2 Ų | 54.2 | 21% | 0.212 | 30% | 0.3 | C | S | . | . | trans | -91 | 141.3 | 172.8 | -56.1 | -65.7 | 0 | 0 | 0 | 109.9 | V752 V758 T760 C813 | V752-Y754 HydrophobicContact CG1-CD2 4.27Å; V752-Y754 HydrophobicContact CG1-CE2 3.48Å; V752-Y754 VanDerWaalsContact CG1-CE2 3.48Å; Y754-V758 HydrophobicContact CD1-CG1 3.99Å; Y754-V758 HydrophobicContact CG-CG1 4.49Å; Y754-T760 HydrophobicContact CD1-CG2 4.3Å; Y754-T760 HydrophobicContact CE1-CG2 3.56Å; Y754-T760 HydrophobicContact CE2-CG2 4.31Å; Y754-C813 HydrophobicContact CD2-CB 4.47Å | ||
| 755 | S | 65.8 | Low | 81.5 | Confident | 62 Ų | 62 | 54.3 Ų | 54.3 | 43% | 0.434 | 30% | 0.3 | S | S | . | . | trans | -67.8 | 154.2 | 165.5 | 53.9 | 0 | 0 | 0 | 0 | 109.4 | S757 V758 | S755-S757 PolarHBondContact O-N 3.41Å; S755-S757 PolarHBondContact OG-OG 3.41Å; S755-V758 PolarHBondContact O-N 3.34Å; S755-V758 VanDerWaalsContact OG-CG2 3.3Å; S755-V758 WeakPolarHBondContact OG-CG2 3.33Å | ||
| 756 | L | 69.3 | Low | 81.7 | Confident | 164 Ų | 164 | 59.1 Ų | 59.1 | 86% | 0.859 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -20.2 | 177.5 | -69.3 | 166.7 | 0 | 0 | 0 | 113.5 | ||
| 757 | S | 71.9 | Confident | 81.8 | Confident | 102 Ų | 102 | 58.6 Ų | 58.6 | 71% | 0.713 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -14.4 | 175.9 | 53.9 | 0 | 0 | 0 | 0 | 114.8 | S755 | S755-S757 PolarHBondContact O-N 3.41Å; S755-S757 PolarHBondContact OG-OG 3.41Å |
| 758 | V | 77 | Confident | 82.1 | Confident | 50 Ų | 50 | 57.4 Ų | 57.4 | 30% | 0.303 | 31% | 0.306 | S | S | . | . | trans | -103.1 | 116.1 | -173.4 | 172.7 | 0 | 0 | 0 | 0 | 109.4 | Y754 S755 T760 | Y754-V758 HydrophobicContact CD1-CG1 3.99Å; Y754-V758 HydrophobicContact CG-CG1 4.49Å; S755-V758 PolarHBondContact O-N 3.34Å; S755-V758 VanDerWaalsContact OG-CG2 3.3Å; S755-V758 WeakPolarHBondContact OG-CG2 3.33Å; V758-T760 WeakPolarHBondContact CG1-OG1 3.45Å; V758-T760 PolarHBondContact O-N 2.96Å; V758-T760 VanDerWaalsContact O-N 3.17Å | ||
| 759 | P | 80.7 | Confident | 82.6 | Confident | 77 Ų | 77 | 52.6 Ų | 52.6 | 50% | 0.5 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -3.2 | -174 | 31.4 | -36.2 | 0 | 0 | 0 | 113.7 | G761 Y762 L763 | P759-G761 VanDerWaalsContact C-N 3.32Å; P759-G761 PolarHBondContact O-N 3.36Å; P759-Y762 WeakPolarHBondContact O-CB 3.43Å; P759-Y762 PolarHBondContact O-N 3.24Å; P759-L763 HydrophobicContact CB-CD1 4.38Å; P759-L763 HydrophobicContact CB-CG 4.41Å; P759-L763 HydrophobicContact CG-CD1 4.34Å; P759-L763 WeakPolarHBondContact O-CG 3.36Å; P759-L763 PolarHBondContact O-N 3.38Å |
| 760 | T | 83.5 | Confident | 83.2 | Confident | 30 Ų | 30 | 53 Ų | 53 | 18% | 0.184 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -54.9 | -41.7 | -170.7 | -52.5 | 0 | 0 | 0 | 0 | 113.7 | F691 Y754 V758 Y762 L763 L764 | F691-T760 HydrophobicContact CD1-CG2 3.89Å; F691-T760 HydrophobicContact CE1-CG2 3.19Å; F691-T760 HydrophobicContact CZ-CG2 3.64Å; Y754-T760 HydrophobicContact CD1-CG2 4.3Å; Y754-T760 HydrophobicContact CE1-CG2 3.56Å; Y754-T760 HydrophobicContact CE2-CG2 4.31Å; V758-T760 WeakPolarHBondContact CG1-OG1 3.45Å; V758-T760 PolarHBondContact O-N 2.96Å; V758-T760 VanDerWaalsContact O-N 3.17Å; T760-Y762 PolarHBondContact O-N 2.86Å; T760-L763 PolarHBondContact O-N 3.15Å; T760-L764 WeakPolarHBondContact O-CB 3.23Å; T760-L764 PolarHBondContact O-N 3.36Å |
| 761 | G | 84.9 | Confident | 83.8 | Confident | 5 Ų | 5 | 48 Ų | 48 | 5% | 0.052 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P759 L764 A765 I814 | P759-G761 VanDerWaalsContact C-N 3.32Å; P759-G761 PolarHBondContact O-N 3.36Å; G761-L764 PolarHBondContact O-N 2.87Å; G761-A765 WeakPolarHBondContact O-CB 3.32Å; G761-A765 PolarHBondContact O-N 3.4Å; G761-I814 WeakPolarHBondContact O-CG2 3.04Å |
| 762 | Y | 88.1 | Confident | 84.3 | Confident | 49 Ų | 49 | 47.8 Ų | 47.8 | 19% | 0.192 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.5 | -41.3 | 178.9 | -59.5 | -80.8 | 0 | 0 | 0 | 111.6 | P759 T760 A765 R766 I814 V818 F819 | P759-Y762 WeakPolarHBondContact O-CB 3.43Å; P759-Y762 PolarHBondContact O-N 3.24Å; T760-Y762 PolarHBondContact O-N 2.86Å; Y762-A765 PolarHBondContact O-N 3.32Å; Y762-R766 WeakPolarHBondContact O-CB 3.11Å; Y762-R766 PolarHBondContact O-N 2.98Å; Y762-I814 HydrophobicContact CD1-CB 4.24Å; Y762-I814 HydrophobicContact CD1-CG2 4.04Å; Y762-I814 HydrophobicContact CE1-CB 4.03Å; Y762-I814 HydrophobicContact CE1-CG2 4.19Å; Y762-I814 HydrophobicContact CG-CG2 4.22Å; Y762-V818 HydrophobicContact CD1-CB 4.28Å; Y762-V818 HydrophobicContact CD1-CG1 4.21Å; Y762-V818 HydrophobicContact CE1-CB 3.65Å; Y762-V818 HydrophobicContact CE1-CG1 3.89Å; Y762-V818 HydrophobicContact CE1-CG2 3.82Å; Y762-F819 AromaticContact CD1-CE2 3.87Å; Y762-F819 HydrophobicContact CD1-CE2 3.87Å; Y762-F819 HydrophobicContact CD1-CZ 4.29Å |
| 763 | L | 89.2 | Confident | 85.1 | Confident | 47 Ų | 47 | 49.5 Ų | 49.5 | 25% | 0.246 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 176.1 | -69.1 | 176.8 | 0 | 0 | 0 | 111.7 | Y695 P759 T760 A765 R766 D767 | Y695-L763 HydrophobicContact CE1-CD1 4.24Å; Y695-L763 WeakPolarHBondContact OH-CB 3.32Å; P759-L763 HydrophobicContact CB-CD1 4.38Å; P759-L763 HydrophobicContact CB-CG 4.41Å; P759-L763 HydrophobicContact CG-CD1 4.34Å; P759-L763 WeakPolarHBondContact O-CG 3.36Å; P759-L763 PolarHBondContact O-N 3.38Å; T760-L763 PolarHBondContact O-N 3.15Å; L763-A765 PolarHBondContact O-N 3.21Å; L763-R766 WeakPolarHBondContact O-CB 3.37Å; L763-R766 PolarHBondContact O-N 2.83Å; L763-D767 PolarHBondContact O-N 3.42Å |
| 764 | L | 89.3 | Confident | 86.1 | Confident | 12 Ų | 12 | 46.1 Ų | 46.1 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.6 | -46.5 | 176.5 | -172.6 | 66.9 | 0 | 0 | 0 | 111.6 | F691 F699 T760 G761 R766 D767 F768 | F691-L764 HydrophobicContact CE2-CD1 3.98Å; F691-L764 HydrophobicContact CE2-CD2 4.41Å; F691-L764 HydrophobicContact CZ-CD1 4.2Å; F699-L764 HydrophobicContact CE1-CD1 4.05Å; F699-L764 HydrophobicContact CE2-CD1 4.05Å; F699-L764 HydrophobicContact CZ-CD1 3.53Å; T760-L764 WeakPolarHBondContact O-CB 3.23Å; T760-L764 PolarHBondContact O-N 3.36Å; G761-L764 PolarHBondContact O-N 2.87Å; L764-R766 VanDerWaalsContact C-N 3.3Å; L764-R766 PolarHBondContact O-N 3.01Å; L764-D767 PolarHBondContact O-N 2.61Å; L764-F768 HydrophobicContact CD1-CD1 3.95Å; L764-F768 HydrophobicContact CD1-CE1 3.31Å; L764-F768 HydrophobicContact CD1-CZ 3.99Å; L764-F768 HydrophobicContact CD2-CE1 4.4Å; L764-F768 HydrophobicContact CD2-CZ 4.32Å; L764-F768 HydrophobicContact CG-CD1 4.1Å; L764-F768 HydrophobicContact CG-CE1 3.67Å; L764-F768 HydrophobicContact CG-CZ 4.04Å; L764-F768 WeakPolarHBondContact O-CB 3.37Å; L764-F768 WeakPolarHBondContact O-CD1 3.23Å; L764-F768 PolarHBondContact O-N 2.87Å |
| 765 | A | 90.1 | Very high | 87.2 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 2% | 0.017 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.4 | -36.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G761 Y762 L763 S769 I808 I814 F819 I827 | G761-A765 WeakPolarHBondContact O-CB 3.32Å; G761-A765 PolarHBondContact O-N 3.4Å; Y762-A765 PolarHBondContact O-N 3.32Å; L763-A765 PolarHBondContact O-N 3.21Å; A765-S769 VanDerWaalsContact O-CB 3.28Å; A765-S769 WeakPolarHBondContact O-CB 3.46Å; A765-S769 PolarHBondContact O-N 3.41Å; A765-S769 PolarHBondContact O-OG 2.93Å; A765-I808 HydrophobicContact CB-CD1 4.45Å; A765-I808 HydrophobicContact CB-CG2 4.05Å; A765-I814 HydrophobicContact CB-CD1 3.59Å; A765-F819 HydrophobicContact CB-CZ 4.06Å; A765-I827 HydrophobicContact CB-CD1 4.31Å |
| 766 | R | 91.9 | Very high | 88.4 | Confident | 107 Ų | 107 | 40.8 Ų | 40.8 | 40% | 0.404 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.2 | -45.1 | 173.9 | -170.1 | -178.4 | 67.4 | -177.7 | 0.5 | 112 | Y762 L763 L764 S769 K770 | Y762-R766 WeakPolarHBondContact O-CB 3.11Å; Y762-R766 PolarHBondContact O-N 2.98Å; L763-R766 WeakPolarHBondContact O-CB 3.37Å; L763-R766 PolarHBondContact O-N 2.83Å; L764-R766 VanDerWaalsContact C-N 3.3Å; L764-R766 PolarHBondContact O-N 3.01Å; R766-S769 WeakPolarHBondContact O-CB 3.41Å; R766-S769 PolarHBondContact O-N 2.93Å; R766-K770 WeakPolarHBondContact O-CB 3.46Å; R766-K770 PolarHBondContact O-N 3.4Å |
| 767 | D | 92.9 | Very high | 89.5 | Confident | 32 Ų | 32 | 35.6 Ų | 35.6 | 17% | 0.171 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.5 | -38.4 | 179.3 | -71.7 | -34.4 | 0 | 0 | 0 | 111.9 | Y695 F699 L763 L764 K770 L771 | Y695-D767 VanDerWaalsContact CE2-OD2 3.25Å; Y695-D767 WeakPolarHBondContact CE2-OD2 3.42Å; Y695-D767 PolarHBondContact OH-OD2 3.16Å; F699-D767 HydrophobicContact CD1-CB 4.39Å; L763-D767 PolarHBondContact O-N 3.42Å; L764-D767 PolarHBondContact O-N 2.61Å; D767-K770 PolarHBondContact O-N 3.23Å; D767-L771 WeakPolarHBondContact O-CB 3.37Å; D767-L771 PolarHBondContact O-N 3.45Å |
| 768 | F | 94.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.8 | -45.6 | 172.5 | -82.2 | 33.7 | 0 | 0 | 0 | 111.3 | F699 C741 I744 L764 K770 L771 I772 M804 I808 | F699-F768 AromaticContact CE1-CD1 3.95Å; F699-F768 HydrophobicContact CE1-CD1 3.95Å; F699-F768 AromaticContact CE1-CE1 3.49Å; F699-F768 HydrophobicContact CE1-CE1 3.49Å; F699-F768 VanDerWaalsContact CE1-CE1 3.49Å; F699-F768 AromaticContact CZ-CE1 3.88Å; F699-F768 HydrophobicContact CZ-CE1 3.88Å; C741-F768 HydrophobicContact CB-CE1 4.17Å; C741-F768 HydrophobicContact CB-CE2 4.37Å; C741-F768 HydrophobicContact CB-CZ 4.01Å; C741-F768 VanDerWaalsContact O-CE2 3.26Å; C741-F768 WeakPolarHBondContact O-CE2 3.47Å; C741-F768 WeakPolarHBondContact O-CZ 3.28Å; I744-F768 HydrophobicContact CG2-CE1 4.16Å; I744-F768 HydrophobicContact CG2-CZ 3.72Å; L764-F768 HydrophobicContact CD1-CD1 3.95Å; L764-F768 HydrophobicContact CD1-CE1 3.31Å; L764-F768 HydrophobicContact CD1-CZ 3.99Å; L764-F768 HydrophobicContact CD2-CE1 4.4Å; L764-F768 HydrophobicContact CD2-CZ 4.32Å; L764-F768 HydrophobicContact CG-CD1 4.1Å; L764-F768 HydrophobicContact CG-CE1 3.67Å; L764-F768 HydrophobicContact CG-CZ 4.04Å; L764-F768 WeakPolarHBondContact O-CB 3.37Å; L764-F768 WeakPolarHBondContact O-CD1 3.23Å; L764-F768 PolarHBondContact O-N 2.87Å; F768-K770 VanDerWaalsContact C-N 3.32Å; F768-K770 PolarHBondContact O-N 3.43Å; F768-L771 PolarHBondContact O-N 2.87Å; F768-I772 WeakPolarHBondContact O-CD1 3.49Å; F768-I772 VanDerWaalsContact O-CG1 3.31Å; F768-I772 WeakPolarHBondContact O-CG1 3.22Å; F768-I772 PolarHBondContact O-N 2.92Å; F768-M804 HydrophobicContact CB-CE 4.28Å; F768-M804 HydrophobicContact CD2-CG 3.38Å; F768-M804 HydrophobicContact CD2-SD 3.94Å; F768-M804 HydrophobicContact CE2-CG 3.67Å; F768-M804 HydrophobicContact CE2-SD 4.33Å; F768-M804 HydrophobicContact CG-CE 4.46Å; F768-M804 HydrophobicContact CG-CG 4.17Å; F768-M804 HydrophobicContact CG-SD 4.17Å; F768-I808 HydrophobicContact CB-CD1 3.61Å; F768-I808 HydrophobicContact CD2-CD1 3.42Å; F768-I808 VanDerWaalsContact CD2-CD1 3.42Å; F768-I808 HydrophobicContact CD2-CG1 3.65Å; F768-I808 HydrophobicContact CE2-CD1 4.38Å; F768-I808 HydrophobicContact CE2-CG1 4.14Å; F768-I808 HydrophobicContact CG-CD1 3.89Å; F768-I808 HydrophobicContact CG-CG1 4.47Å |
| 769 | S | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.2 | -44 | 178.1 | -62.8 | 0 | 0 | 0 | 0 | 111.6 | A765 R766 I772 T773 S826 I827 | A765-S769 VanDerWaalsContact O-CB 3.28Å; A765-S769 WeakPolarHBondContact O-CB 3.46Å; A765-S769 PolarHBondContact O-N 3.41Å; A765-S769 PolarHBondContact O-OG 2.93Å; R766-S769 WeakPolarHBondContact O-CB 3.41Å; R766-S769 PolarHBondContact O-N 2.93Å; S769-I772 PolarHBondContact O-N 3.35Å; S769-T773 WeakPolarHBondContact O-CB 3.3Å; S769-T773 PolarHBondContact O-N 2.79Å; S769-T773 PolarHBondContact O-OG1 2.65Å; S769-S826 VanDerWaalsContact CB-O 3.26Å; S769-S826 WeakPolarHBondContact CB-O 3.44Å; S769-I827 WeakPolarHBondContact OG-CD1 3.49Å |
| 770 | K | 95 | Very high | 91.2 | Very high | 109 Ų | 109 | 30.8 Ų | 30.8 | 47% | 0.474 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -62.3 | -44.8 | 175.2 | -169.3 | 177.6 | -176.7 | -168.7 | 0 | 111.3 | L703 R766 D767 F768 I772 T773 V774 | L703-K770 HydrophobicContact CD1-CG 4.18Å; L703-K770 HydrophobicContact CD2-CD 3.66Å; L703-K770 HydrophobicContact CD2-CG 4.19Å; R766-K770 WeakPolarHBondContact O-CB 3.46Å; R766-K770 PolarHBondContact O-N 3.4Å; D767-K770 PolarHBondContact O-N 3.23Å; F768-K770 VanDerWaalsContact C-N 3.32Å; F768-K770 PolarHBondContact O-N 3.43Å; K770-I772 PolarHBondContact O-N 3.06Å; K770-T773 PolarHBondContact O-N 3.35Å; K770-V774 HydrophobicContact CG-CG2 4.34Å; K770-V774 WeakPolarHBondContact O-CB 3.37Å; K770-V774 VanDerWaalsContact O-CG2 3.26Å; K770-V774 WeakPolarHBondContact O-CG2 3.39Å; K770-V774 PolarHBondContact O-N 3.11Å |
| 771 | L | 95.1 | Very high | 91.4 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 178.5 | -167.2 | 118.5 | 0 | 0 | 0 | 112 | F702 L703 L738 D767 F768 Y775 M804 | F702-L771 HydrophobicContact CB-CD1 4.47Å; L703-L771 HydrophobicContact CB-CD1 4.5Å; L703-L771 HydrophobicContact CD1-CB 4.36Å; L703-L771 HydrophobicContact CD1-CD1 4.45Å; L738-L771 HydrophobicContact CD2-CD2 3.37Å; D767-L771 WeakPolarHBondContact O-CB 3.37Å; D767-L771 PolarHBondContact O-N 3.45Å; F768-L771 PolarHBondContact O-N 2.87Å; L771-Y775 WeakPolarHBondContact O-CB 3.21Å; L771-Y775 PolarHBondContact O-N 3.06Å; L771-M804 HydrophobicContact CD2-CE 3.84Å; L771-M804 HydrophobicContact CD2-SD 4.14Å |
| 772 | I | 95.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.8 | -48.7 | 176.3 | -66.7 | 159.2 | 0 | 0 | 0 | 110.9 | F768 S769 K770 Y775 G776 C801 M804 L805 A830 M833 M837 | F768-I772 WeakPolarHBondContact O-CD1 3.49Å; F768-I772 VanDerWaalsContact O-CG1 3.31Å; F768-I772 WeakPolarHBondContact O-CG1 3.22Å; F768-I772 PolarHBondContact O-N 2.92Å; S769-I772 PolarHBondContact O-N 3.35Å; K770-I772 PolarHBondContact O-N 3.06Å; I772-Y775 PolarHBondContact O-N 3.25Å; I772-G776 PolarHBondContact O-N 3.08Å; I772-C801 HydrophobicContact CG1-CB 4.31Å; I772-C801 HydrophobicContact CG2-CB 4.39Å; I772-M804 HydrophobicContact CB-CE 4.47Å; I772-M804 HydrophobicContact CD1-CE 3.41Å; I772-M804 VanDerWaalsContact CD1-CE 3.41Å; I772-M804 HydrophobicContact CG1-CE 3.09Å; I772-L805 HydrophobicContact CD1-CD1 4.13Å; I772-L805 HydrophobicContact CD1-CD2 3.38Å; I772-L805 HydrophobicContact CD1-CG 3.42Å; I772-L805 VanDerWaalsContact CD1-CG 3.42Å; I772-A830 HydrophobicContact CD1-CB 4.44Å; I772-M833 HydrophobicContact CG2-CB 4.32Å; I772-M833 HydrophobicContact CG2-CG 4.07Å; I772-M837 HydrophobicContact CG2-CE 3.95Å |
| 773 | T | 95.3 | Very high | 90.9 | Very high | 39 Ų | 39 | 37.5 Ų | 37.5 | 24% | 0.239 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.2 | -46.1 | -176.2 | -54.6 | 0 | 0 | 0 | 0 | 110.4 | S769 K770 S777 D829 | S769-T773 WeakPolarHBondContact O-CB 3.3Å; S769-T773 PolarHBondContact O-N 2.79Å; S769-T773 PolarHBondContact O-OG1 2.65Å; K770-T773 PolarHBondContact O-N 3.35Å; T773-S777 WeakPolarHBondContact O-CB 3.48Å; T773-S777 PolarHBondContact O-N 3.06Å; T773-S777 PolarHBondContact O-OG 3.43Å; T773-D829 HydrophobicContact CG2-CB 4.48Å |
| 774 | V | 92.5 | Very high | 90.3 | Very high | 23 Ų | 23 | 38.5 Ų | 38.5 | 14% | 0.139 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.3 | -52.5 | 176.2 | 170 | 0 | 0 | 0 | 0 | 110.5 | L703 E707 K770 G776 S777 R778 | L703-V774 HydrophobicContact CD1-CB 4.2Å; L703-V774 HydrophobicContact CD1-CG1 4.44Å; L703-V774 HydrophobicContact CD1-CG2 4.12Å; E707-V774 HydrophobicContact CB-CG1 3.77Å; E707-V774 HydrophobicContact CG-CG1 3.97Å; K770-V774 HydrophobicContact CG-CG2 4.34Å; K770-V774 WeakPolarHBondContact O-CB 3.37Å; K770-V774 VanDerWaalsContact O-CG2 3.26Å; K770-V774 WeakPolarHBondContact O-CG2 3.39Å; K770-V774 PolarHBondContact O-N 3.11Å; V774-G776 PolarHBondContact O-N 3.32Å; V774-S777 PolarHBondContact O-N 3.4Å; V774-S777 PolarHBondContact O-OG 3.09Å; V774-R778 WeakPolarHBondContact O-CG 3.22Å; V774-R778 PolarHBondContact O-N 3.31Å |
| 775 | Y | 93.6 | Very high | 89.9 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.5 | -50.1 | -179.2 | 177.9 | -111.2 | 0 | 0 | 0 | 112.6 | Y728 V734 L738 L771 I772 S777 R778 L779 G797 C801 | Y728-Y775 VanDerWaalsContact O-CE2 3.31Å; Y728-Y775 WeakPolarHBondContact O-CE2 3.46Å; V734-Y775 HydrophobicContact CB-CE2 4.44Å; V734-Y775 HydrophobicContact CG1-CD2 4.15Å; V734-Y775 HydrophobicContact CG1-CE2 3.62Å; V734-Y775 HydrophobicContact CG2-CE2 4.12Å; L738-Y775 HydrophobicContact CD1-CE1 4.4Å; L771-Y775 WeakPolarHBondContact O-CB 3.21Å; L771-Y775 PolarHBondContact O-N 3.06Å; I772-Y775 PolarHBondContact O-N 3.25Å; Y775-S777 PolarHBondContact O-N 3.4Å; Y775-R778 PolarHBondContact O-N 3.26Å; Y775-L779 HydrophobicContact CE1-CD2 3.78Å; Y775-L779 WeakPolarHBondContact O-CB 3.16Å; Y775-L779 PolarHBondContact O-N 3.35Å; Y775-G797 WeakPolarHBondContact OH-CA 3.47Å; Y775-C801 VanDerWaalsContact CD1-SG 3.5Å |
| 776 | G | 92.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.1 | -40 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I772 V774 R778 L779 L780 M833 | I772-G776 PolarHBondContact O-N 3.08Å; V774-G776 PolarHBondContact O-N 3.32Å; G776-R778 PolarHBondContact O-N 2.7Å; G776-L779 PolarHBondContact O-N 3.1Å; G776-L780 WeakPolarHBondContact O-CB 3.49Å; G776-L780 WeakPolarHBondContact O-CG 3.4Å; G776-L780 PolarHBondContact O-N 3.17Å; G776-M833 VanDerWaalsContact C-SD 3.5Å; G776-M833 VanDerWaalsContact CA-SD 3.52Å |
| 777 | S | 91.4 | Very high | 89 | Confident | 55 Ų | 55 | 44.3 Ų | 44.3 | 39% | 0.385 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.2 | -26 | 176.7 | 72.9 | 0 | 0 | 0 | 0 | 113.7 | T773 V774 Y775 P781 | T773-S777 WeakPolarHBondContact O-CB 3.48Å; T773-S777 PolarHBondContact O-N 3.06Å; T773-S777 PolarHBondContact O-OG 3.43Å; V774-S777 PolarHBondContact O-N 3.4Å; V774-S777 PolarHBondContact O-OG 3.09Å; Y775-S777 PolarHBondContact O-N 3.4Å; S777-P781 WeakPolarHBondContact O-CD 3.26Å; S777-P781 VanDerWaalsContact O-CG 3.29Å; S777-P781 WeakPolarHBondContact O-CG 3.43Å |
| 778 | R | 87.5 | Confident | 88.5 | Confident | 93 Ų | 93 | 50 Ų | 50 | 35% | 0.351 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -87.2 | -35.7 | 174 | -62.6 | -57.2 | -172.2 | -166.2 | -2.6 | 112.5 | E707 S709 Y728 V774 Y775 G776 T782 | E707-R778 PolarHBondContact O-NE 3.12Å; E707-R778 VanDerWaalsContact O-NE 3.12Å; S709-R778 PolarHBondContact OG-NH1 3.11Å; Y728-R778 HydrophobicContact CD1-CB 4.34Å; Y728-R778 HydrophobicContact CD2-CB 3.95Å; Y728-R778 HydrophobicContact CE1-CB 4.43Å; Y728-R778 HydrophobicContact CE2-CB 4.02Å; Y728-R778 HydrophobicContact CG-CB 4.12Å; V774-R778 WeakPolarHBondContact O-CG 3.22Å; V774-R778 PolarHBondContact O-N 3.31Å; Y775-R778 PolarHBondContact O-N 3.26Å; G776-R778 PolarHBondContact O-N 2.7Å; R778-T782 PolarHBondContact O-OG1 2.95Å |
| 779 | L | 88.7 | Confident | 88 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71.3 | -47.6 | -177.7 | -175.5 | 61.9 | 0 | 0 | 0 | 112.4 | M729 Y775 G776 T782 R794 M798 | M729-L779 HydrophobicContact CE-CD1 3.53Å; M729-L779 HydrophobicContact SD-CD1 3.89Å; Y775-L779 HydrophobicContact CE1-CD2 3.78Å; Y775-L779 WeakPolarHBondContact O-CB 3.16Å; Y775-L779 PolarHBondContact O-N 3.35Å; G776-L779 PolarHBondContact O-N 3.1Å; L779-T782 WeakPolarHBondContact O-CB 3.15Å; L779-T782 PolarHBondContact O-N 3.33Å; L779-R794 HydrophobicContact CD1-CG 4.12Å; L779-R794 HydrophobicContact CD2-CG 4.21Å; L779-R794 HydrophobicContact CG-CG 4.15Å; L779-M798 HydrophobicContact CD2-CE 3.74Å; L779-M798 HydrophobicContact CD2-CG 3.81Å; L779-M798 HydrophobicContact CG-CE 4.2Å |
| 780 | L | 89.3 | Confident | 87.7 | Confident | 35 Ų | 35 | 54.3 Ų | 54.3 | 18% | 0.183 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -45.8 | -172.8 | -72.6 | 172.9 | 0 | 0 | 0 | 114.3 | G776 T782 R794 M798 M833 E836 M837 D840 | G776-L780 WeakPolarHBondContact O-CB 3.49Å; G776-L780 WeakPolarHBondContact O-CG 3.4Å; G776-L780 PolarHBondContact O-N 3.17Å; L780-T782 PolarHBondContact O-N 3.13Å; L780-T782 VanDerWaalsContact O-N 3.14Å; L780-R794 PolarHBondContact O-NH2 3.17Å; L780-M798 HydrophobicContact CD2-CE 3.89Å; L780-M833 HydrophobicContact CD1-CE 4.47Å; L780-M833 HydrophobicContact CD1-SD 3.66Å; L780-E836 HydrophobicContact CD1-CB 3.79Å; L780-M837 HydrophobicContact CD1-CG 4.5Å; L780-M837 HydrophobicContact CD2-CG 4.3Å; L780-M837 HydrophobicContact CG-CG 4.45Å; L780-D840 HydrophobicContact CD2-CB 3.63Å |
| 781 | P | 87.8 | Confident | 87.5 | Confident | 95 Ų | 95 | 51.8 Ų | 51.8 | 62% | 0.617 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -11.8 | -178.5 | -20.7 | 34.4 | 0 | 0 | 0 | 114.4 | S777 T783 | S777-P781 WeakPolarHBondContact O-CD 3.26Å; S777-P781 VanDerWaalsContact O-CG 3.29Å; S777-P781 WeakPolarHBondContact O-CG 3.43Å; P781-T783 PolarHBondContact O-N 3.22Å |
| 782 | T | 82.1 | Confident | 87.1 | Confident | 16 Ų | 16 | 55.2 Ų | 55.2 | 10% | 0.098 | 31% | 0.306 | C | S | . | . | trans | -76.2 | 121.6 | -175.1 | -58.3 | 0 | 0 | 0 | 0 | 110.6 | F719 M729 R778 L779 L780 I785 R794 | F719-T782 HydrophobicContact CZ-CG2 4.44Å; M729-T782 HydrophobicContact CE-CG2 3.39Å; M729-T782 WeakPolarHBondContact CE-OG1 3.47Å; M729-T782 HydrophobicContact SD-CG2 4.31Å; R778-T782 PolarHBondContact O-OG1 2.95Å; L779-T782 WeakPolarHBondContact O-CB 3.15Å; L779-T782 PolarHBondContact O-N 3.33Å; L780-T782 PolarHBondContact O-N 3.13Å; L780-T782 VanDerWaalsContact O-N 3.14Å; T782-I785 HydrophobicContact CG2-CD1 4.47Å; T782-I785 HydrophobicContact CG2-CG1 4.45Å; T782-R794 PolarHBondContact O-NH1 2.95Å | ||
| 783 | T | 80.7 | Confident | 86.7 | Confident | 115 Ų | 115 | 56.8 Ų | 56.8 | 71% | 0.706 | 31% | 0.314 | S | S | * | . | trans | -112.5 | 159.6 | 178.7 | 55.9 | 0 | 0 | 0 | 0 | 111.4 | P781 | P781-T783 PolarHBondContact O-N 3.22Š| ||
| 784 | G | 77.1 | Confident | 86.4 | Confident | 67 Ų | 67 | 56.1 Ų | 56.1 | 69% | 0.691 | 31% | 0.307 | S | S | * | . | trans | 88 | 21.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | P786 | G784-P786 WeakPolarHBondContact O-CD 3.24Š| ||
| 785 | I | 80.3 | Confident | 86.5 | Confident | 28 Ų | 28 | 55.7 Ų | 55.7 | 14% | 0.144 | 30% | 0.303 | C | S | . | . | trans | -75 | 124.4 | 174.7 | -57.7 | 169.8 | 0 | 0 | 0 | 109.1 | T782 I790 I793 R794 | T782-I785 HydrophobicContact CG2-CD1 4.47Å; T782-I785 HydrophobicContact CG2-CG1 4.45Å; I785-I790 HydrophobicContact CG2-CB 4.26Å; I785-I790 HydrophobicContact CG2-CG1 4.48Å; I785-I793 HydrophobicContact CD1-CG2 3.9Å; I785-I793 HydrophobicContact CG1-CG2 4.49Å; I785-I793 HydrophobicContact CG2-CB 4.34Å; I785-I793 HydrophobicContact CG2-CD1 4.07Å; I785-R794 HydrophobicContact CD1-CB 4.25Å; I785-R794 HydrophobicContact CD1-CG 4.48Å | ||
| 786 | P | 81.7 | Confident | 86.5 | Confident | 47 Ų | 47 | 57.2 Ų | 57.2 | 31% | 0.305 | 31% | 0.31 | S | S | . | . | trans | -56.8 | 139.7 | 174.8 | -25.5 | 34.9 | 0 | 0 | 0 | 112.1 | G784 E788 H789 I790 | G784-P786 WeakPolarHBondContact O-CD 3.24Å; P786-E788 HydrophobicContact CB-CG 3.79Å; P786-E788 PolarHBondContact O-N 3.08Å; P786-E788 VanDerWaalsContact O-N 3.14Å; P786-H789 PolarHBondContact O-N 3.24Å; P786-I790 PolarHBondContact O-N 3.37Å | ||
| 787 | Q | 81.9 | Confident | 86.5 | Confident | 168 Ų | 168 | 57.3 Ų | 57.3 | 79% | 0.785 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -27.5 | -176.6 | -165.2 | 169.8 | -1.8 | 0 | 0 | 112.7 | H789 I790 | Q787-H789 VanDerWaalsContact C-N 3.31Å; Q787-H789 PolarHBondContact O-N 3.39Å; Q787-I790 VanDerWaalsContact O-CG2 3.26Å; Q787-I790 WeakPolarHBondContact O-CG2 2.75Å |
| 788 | E | 82.1 | Confident | 86.7 | Confident | 151 Ų | 151 | 54.7 Ų | 54.7 | 71% | 0.706 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -26.2 | 173.5 | 58.2 | -177.9 | 172.5 | 0 | 0 | 114.3 | P786 | P786-E788 HydrophobicContact CB-CG 3.79Å; P786-E788 PolarHBondContact O-N 3.08Å; P786-E788 VanDerWaalsContact O-N 3.14Å |
| 789 | H | 83.6 | Confident | 87.2 | Confident | 62 Ų | 62 | 51.4 Ų | 51.4 | 29% | 0.287 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -7.9 | -175.2 | -65.8 | -31.4 | 0 | 0 | 0 | 113.6 | P786 Q787 Y791 N792 I793 | P786-H789 PolarHBondContact O-N 3.24Å; Q787-H789 VanDerWaalsContact C-N 3.31Å; Q787-H789 PolarHBondContact O-N 3.39Å; H789-Y791 PolarHBondContact O-N 3.2Å; H789-Y791 VanDerWaalsContact O-N 3.15Å; H789-N792 PolarHBondContact O-N 3.14Å; H789-I793 HydrophobicContact CB-CD1 3.84Å; H789-I793 HydrophobicContact CB-CG1 4.45Å; H789-I793 PolarHBondContact O-N 2.87Å; H789-I793 VanDerWaalsContact O-N 3.11Å |
| 790 | I | 88.5 | Confident | 87.6 | Confident | 31 Ų | 31 | 52 Ų | 52 | 16% | 0.159 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -53.3 | -38.8 | -176.6 | -161.3 | 167.7 | 0 | 0 | 0 | 113 | I785 P786 Q787 R794 Y795 | I785-I790 HydrophobicContact CG2-CB 4.26Å; I785-I790 HydrophobicContact CG2-CG1 4.48Å; P786-I790 PolarHBondContact O-N 3.37Å; Q787-I790 VanDerWaalsContact O-CG2 3.26Å; Q787-I790 WeakPolarHBondContact O-CG2 2.75Å; I790-R794 HydrophobicContact CG1-CB 4.28Å; I790-R794 WeakPolarHBondContact O-CA 3.21Å; I790-R794 VanDerWaalsContact O-CB 3.24Å; I790-R794 WeakPolarHBondContact O-CB 3.09Å; I790-R794 PolarHBondContact O-N 3.41Å; I790-Y795 HydrophobicContact CD1-CE1 4.35Å; I790-Y795 HydrophobicContact CD1-CE2 4.27Å; I790-Y795 WeakPolarHBondContact CD1-OH 3.36Å; I790-Y795 HydrophobicContact CG1-CE1 4.29Å; I790-Y795 HydrophobicContact CG1-CE2 4.13Å; I790-Y795 HydrophobicContact CG2-CD2 4.34Å; I790-Y795 HydrophobicContact CG2-CE2 3.88Å; I790-Y795 PolarHBondContact O-N 3.13Å |
| 791 | Y | 90.6 | Very high | 87.9 | Confident | 55 Ų | 55 | 50.4 Ų | 50.4 | 22% | 0.216 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -62.1 | -48.6 | 178.4 | 178.5 | -96.1 | 0 | 0 | 0 | 111.8 | H789 Y795 K796 Y849 | H789-Y791 PolarHBondContact O-N 3.2Å; H789-Y791 VanDerWaalsContact O-N 3.15Å; Y791-Y795 HydrophobicContact CD2-CD2 4.47Å; Y791-Y795 PolarHBondContact O-N 3.05Å; Y791-K796 HydrophobicContact CE1-CB 4.22Å; Y791-K796 HydrophobicContact CE1-CD 4.32Å; Y791-K796 WeakPolarHBondContact O-CB 3.18Å; Y791-K796 PolarHBondContact O-N 3.17Å; Y791-Y849 AromaticContact CD2-CD1 3.55Å; Y791-Y849 HydrophobicContact CD2-CD1 3.55Å; Y791-Y849 AromaticContact CD2-CE1 3.66Å; Y791-Y849 HydrophobicContact CD2-CE1 3.66Å; Y791-Y849 HydrophobicContact CD2-CG 4.02Å; Y791-Y849 AromaticContact CE2-CD1 3.89Å; Y791-Y849 HydrophobicContact CE2-CD1 3.89Å; Y791-Y849 HydrophobicContact CE2-CE1 4.42Å; Y791-Y849 HydrophobicContact CE2-CG 4.28Å; Y791-Y849 HydrophobicContact CG-CD1 4.4Å; Y791-Y849 HydrophobicContact CG-CE1 4.11Å |
| 792 | N | 87.5 | Confident | 88.4 | Confident | 75 Ų | 75 | 45.9 Ų | 45.9 | 40% | 0.401 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -73 | -37.7 | -173.9 | -79 | -44.8 | 0 | 0 | 0 | 113 | S731 H789 | S731-N792 WeakPolarHBondContact CB-O 3.34Å; S731-N792 PolarHBondContact OG-O 2.9Å; H789-N792 PolarHBondContact O-N 3.14Å |
| 793 | I | 85.8 | Confident | 89 | Confident | 34 Ų | 34 | 46.1 Ų | 46.1 | 17% | 0.174 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -82.3 | -40.3 | -176 | -63.8 | 175.2 | 0 | 0 | 0 | 110.9 | M729 I785 H789 | M729-I793 HydrophobicContact CB-CG2 4.26Å; M729-I793 HydrophobicContact CG-CG2 4.42Å; M729-I793 HydrophobicContact SD-CG2 3.25Å; M729-I793 WeakPolarHBondContact SD-CG2 3.43Å; I785-I793 HydrophobicContact CD1-CG2 3.9Å; I785-I793 HydrophobicContact CG1-CG2 4.49Å; I785-I793 HydrophobicContact CG2-CB 4.34Å; I785-I793 HydrophobicContact CG2-CD1 4.07Å; H789-I793 HydrophobicContact CB-CD1 3.84Å; H789-I793 HydrophobicContact CB-CG1 4.45Å; H789-I793 PolarHBondContact O-N 2.87Å; H789-I793 VanDerWaalsContact O-N 3.11Å |
| 794 | R | 90.3 | Very high | 89.7 | Confident | 24 Ų | 24 | 40.7 Ų | 40.7 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -111.7 | -68.5 | -169.5 | -156.7 | 179.4 | -173.4 | 114.9 | -4 | 112.6 | L779 L780 T782 I785 I790 K796 G797 M798 D840 | L779-R794 HydrophobicContact CD1-CG 4.12Å; L779-R794 HydrophobicContact CD2-CG 4.21Å; L779-R794 HydrophobicContact CG-CG 4.15Å; L780-R794 PolarHBondContact O-NH2 3.17Å; T782-R794 PolarHBondContact O-NH1 2.95Å; I785-R794 HydrophobicContact CD1-CB 4.25Å; I785-R794 HydrophobicContact CD1-CG 4.48Å; I790-R794 HydrophobicContact CG1-CB 4.28Å; I790-R794 WeakPolarHBondContact O-CA 3.21Å; I790-R794 VanDerWaalsContact O-CB 3.24Å; I790-R794 WeakPolarHBondContact O-CB 3.09Å; I790-R794 PolarHBondContact O-N 3.41Å; R794-K796 PolarHBondContact O-N 3.43Å; R794-G797 PolarHBondContact O-N 3.41Å; R794-G797 VanDerWaalsContact O-N 3.17Å; R794-M798 HydrophobicContact CG-CE 3.76Å; R794-M798 HydrophobicContact CG-SD 4.28Å; R794-M798 WeakPolarHBondContact O-CG 3.34Å; R794-M798 PolarHBondContact O-N 2.96Å; R794-M798 VanDerWaalsContact O-N 3.16Å; R794-D840 IonicContact CZ-OD1 3.02Å; R794-D840 IonicContact CZ-OD2 3.93Å; R794-D840 IonicContact NE-OD1 3.03Å; R794-D840 IonicContact NE-OD2 2.71Å; R794-D840 PolarHBondContact NE-OD2 3.03Å; R794-D840 IonicContact NH2-OD1 3.3Å; R794-D840 PolarHBondContact NH2-OD1 3.22Å; R794-D840 IonicContact NH2-OD2 3.47Å; R794-D840 PolarHBondContact NH2-OD2 3.37Å |
| 795 | Y | 93.7 | Very high | 90.5 | Very high | 15 Ų | 15 | 37.5 Ų | 37.5 | 6% | 0.059 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -65.4 | -36.5 | -169 | -58.7 | -26.6 | 0 | 0 | 0 | 113.9 | I790 Y791 G797 M798 M799 I841 Q845 Y849 L852 | I790-Y795 HydrophobicContact CD1-CE1 4.35Å; I790-Y795 HydrophobicContact CD1-CE2 4.27Å; I790-Y795 WeakPolarHBondContact CD1-OH 3.36Å; I790-Y795 HydrophobicContact CG1-CE1 4.29Å; I790-Y795 HydrophobicContact CG1-CE2 4.13Å; I790-Y795 HydrophobicContact CG2-CD2 4.34Å; I790-Y795 HydrophobicContact CG2-CE2 3.88Å; I790-Y795 PolarHBondContact O-N 3.13Å; Y791-Y795 HydrophobicContact CD2-CD2 4.47Å; Y791-Y795 PolarHBondContact O-N 3.05Å; Y795-G797 VanDerWaalsContact C-N 3.34Å; Y795-G797 PolarHBondContact O-N 3.08Å; Y795-M798 HydrophobicContact CD1-SD 4.41Å; Y795-M798 PolarHBondContact O-N 2.71Å; Y795-M799 VanDerWaalsContact O-CB 3.28Å; Y795-M799 WeakPolarHBondContact O-CB 3.18Å; Y795-M799 PolarHBondContact O-N 3.09Å; Y795-I841 HydrophobicContact CD1-CG1 3.83Å; Y795-I841 HydrophobicContact CE1-CB 4.43Å; Y795-I841 HydrophobicContact CE1-CG1 4.06Å; Y795-Q845 HydrophobicContact CE2-CB 4.41Å; Y795-Q845 HydrophobicContact CE2-CG 4.26Å; Y795-Y849 HydrophobicContact CD2-CD2 4.01Å; Y795-Y849 AromaticContact CD2-CE2 3.74Å; Y795-Y849 HydrophobicContact CD2-CE2 3.74Å; Y795-Y849 HydrophobicContact CE2-CD2 4.26Å; Y795-Y849 AromaticContact CE2-CE2 3.74Å; Y795-Y849 HydrophobicContact CE2-CE2 3.74Å; Y795-L852 HydrophobicContact CG-CD2 4.29Å |
| 796 | K | 93.5 | Very high | 91.1 | Very high | 35 Ų | 35 | 40 Ų | 40 | 15% | 0.152 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.8 | -36.9 | 177.7 | -178.8 | 179.2 | 168.6 | -154.7 | 0 | 112.2 | S731 S735 Y791 R794 M799 L800 | S731-K796 PolarHBondContact OG-NZ 2.9Å; S735-K796 VanDerWaalsContact OG-CE 3.27Å; S735-K796 WeakPolarHBondContact OG-CE 3.31Å; S735-K796 PolarHBondContact OG-NZ 3.26Å; Y791-K796 HydrophobicContact CE1-CB 4.22Å; Y791-K796 HydrophobicContact CE1-CD 4.32Å; Y791-K796 WeakPolarHBondContact O-CB 3.18Å; Y791-K796 PolarHBondContact O-N 3.17Å; R794-K796 PolarHBondContact O-N 3.43Å; K796-M799 HydrophobicContact CG-CE 4.34Å; K796-L800 HydrophobicContact CG-CD1 4.48Å; K796-L800 VanDerWaalsContact O-CG 3.23Å; K796-L800 WeakPolarHBondContact O-CG 3.45Å; K796-L800 PolarHBondContact O-N 3.5Å; K796-L800 VanDerWaalsContact O-N 3.09Å |
| 797 | G | 93.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 38 Ų | 38 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.2 | -50 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y775 R794 Y795 M799 L800 C801 | Y775-G797 WeakPolarHBondContact OH-CA 3.47Å; R794-G797 PolarHBondContact O-N 3.41Å; R794-G797 VanDerWaalsContact O-N 3.17Å; Y795-G797 VanDerWaalsContact C-N 3.34Å; Y795-G797 PolarHBondContact O-N 3.08Å; G797-M799 PolarHBondContact O-N 3.04Å; G797-L800 PolarHBondContact O-N 3.47Å; G797-L800 VanDerWaalsContact O-N 3.1Å; G797-C801 PolarHBondContact O-N 2.94Å; G797-C801 PolarHBondContact O-SG 3.5Å |
| 798 | M | 95.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.9 | -46.2 | 176.3 | -62.9 | 174.1 | 168.4 | 0 | 0 | 112 | L779 L780 R794 Y795 L800 C801 F802 M837 D840 I841 | L779-M798 HydrophobicContact CD2-CE 3.74Å; L779-M798 HydrophobicContact CD2-CG 3.81Å; L779-M798 HydrophobicContact CG-CE 4.2Å; L780-M798 HydrophobicContact CD2-CE 3.89Å; R794-M798 HydrophobicContact CG-CE 3.76Å; R794-M798 HydrophobicContact CG-SD 4.28Å; R794-M798 WeakPolarHBondContact O-CG 3.34Å; R794-M798 PolarHBondContact O-N 2.96Å; R794-M798 VanDerWaalsContact O-N 3.16Å; Y795-M798 HydrophobicContact CD1-SD 4.41Å; Y795-M798 PolarHBondContact O-N 2.71Å; M798-L800 VanDerWaalsContact C-N 3.29Å; M798-L800 PolarHBondContact O-N 2.79Å; M798-C801 WeakPolarHBondContact O-CB 3.46Å; M798-C801 PolarHBondContact O-N 3.48Å; M798-C801 VanDerWaalsContact O-N 3.09Å; M798-F802 HydrophobicContact CB-CE1 4.45Å; M798-F802 HydrophobicContact CB-CZ 4.27Å; M798-F802 WeakPolarHBondContact O-CD1 3.39Å; M798-F802 WeakPolarHBondContact O-CG 3.46Å; M798-F802 PolarHBondContact O-N 2.9Å; M798-M837 HydrophobicContact CB-CB 4.48Å; M798-M837 HydrophobicContact CB-SD 4.26Å; M798-M837 HydrophobicContact CE-CB 4.19Å; M798-M837 HydrophobicContact CE-CG 4.07Å; M798-M837 HydrophobicContact CG-CB 4.07Å; M798-M837 HydrophobicContact CG-CG 4.11Å; M798-M837 HydrophobicContact CG-SD 3.76Å; M798-M837 HydrophobicContact SD-CB 4.09Å; M798-M837 HydrophobicContact SD-CG 4.44Å; M798-D840 WeakPolarHBondContact CE-OD2 3.41Å; M798-I841 HydrophobicContact CB-CD1 4.13Å; M798-I841 HydrophobicContact SD-CD1 3.82Å; M798-I841 HydrophobicContact SD-CG1 3.61Å |
| 799 | M | 96.7 | Very high | 92.1 | Very high | 24 Ų | 24 | 23.9 Ų | 23.9 | 12% | 0.118 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -54.9 | -44.4 | 174.3 | -172.7 | -177.5 | 64.5 | 0 | 0 | 111.7 | Y795 K796 G797 F802 A803 K851 L852 T855 | Y795-M799 VanDerWaalsContact O-CB 3.28Å; Y795-M799 WeakPolarHBondContact O-CB 3.18Å; Y795-M799 PolarHBondContact O-N 3.09Å; K796-M799 HydrophobicContact CG-CE 4.34Å; G797-M799 PolarHBondContact O-N 3.04Å; M799-F802 WeakPolarHBondContact O-CB 3.41Å; M799-F802 PolarHBondContact O-N 2.93Å; M799-A803 PolarHBondContact O-N 3.41Å; M799-K851 HydrophobicContact SD-CB 4.11Å; M799-L852 HydrophobicContact CB-CD1 3.64Å; M799-L852 HydrophobicContact CG-CD1 4.11Å; M799-T855 HydrophobicContact CG-CG2 4.07Å; M799-T855 WeakPolarHBondContact CG-OG1 3.39Å; M799-T855 WeakPolarHBondContact O-CG2 3.26Å |
| 800 | L | 96.9 | Very high | 92.2 | Very high | 13 Ų | 13 | 24.7 Ų | 24.7 | 7% | 0.068 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69.1 | -35.1 | 178.2 | -68.6 | 171.4 | 0 | 0 | 0 | 112 | L738 R739 I742 K796 G797 M798 F802 A803 M804 | L738-L800 HydrophobicContact CB-CB 3.77Å; L738-L800 HydrophobicContact CB-CD1 4.14Å; L738-L800 HydrophobicContact CD1-CB 3.69Å; L738-L800 HydrophobicContact CD1-CD1 4.31Å; L738-L800 HydrophobicContact CG-CB 4.38Å; R739-L800 HydrophobicContact CG-CD1 4.28Å; R739-L800 HydrophobicContact CG-CD2 3.75Å; I742-L800 HydrophobicContact CD1-CB 4.24Å; I742-L800 HydrophobicContact CD1-CD2 3.66Å; K796-L800 HydrophobicContact CG-CD1 4.48Å; K796-L800 VanDerWaalsContact O-CG 3.23Å; K796-L800 WeakPolarHBondContact O-CG 3.45Å; K796-L800 PolarHBondContact O-N 3.5Å; K796-L800 VanDerWaalsContact O-N 3.09Å; G797-L800 PolarHBondContact O-N 3.47Å; G797-L800 VanDerWaalsContact O-N 3.1Å; M798-L800 VanDerWaalsContact C-N 3.29Å; M798-L800 PolarHBondContact O-N 2.79Å; L800-F802 VanDerWaalsContact C-N 3.33Å; L800-A803 PolarHBondContact O-N 3.42Å; L800-M804 VanDerWaalsContact O-CB 3.3Å; L800-M804 WeakPolarHBondContact O-CB 3.5Å; L800-M804 PolarHBondContact O-N 3.37Å |
| 801 | C | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.7 | -41 | 170.8 | -67.3 | 0 | 0 | 0 | 0 | 112 | I772 Y775 G797 M798 M804 L805 M837 | I772-C801 HydrophobicContact CG1-CB 4.31Å; I772-C801 HydrophobicContact CG2-CB 4.39Å; Y775-C801 VanDerWaalsContact CD1-SG 3.5Å; G797-C801 PolarHBondContact O-N 2.94Å; G797-C801 PolarHBondContact O-SG 3.5Å; M798-C801 WeakPolarHBondContact O-CB 3.46Å; M798-C801 PolarHBondContact O-N 3.48Å; M798-C801 VanDerWaalsContact O-N 3.09Å; C801-M804 WeakPolarHBondContact O-CB 3.33Å; C801-M804 PolarHBondContact O-N 3.13Å; C801-L805 PolarHBondContact O-N 3.5Å; C801-M837 HydrophobicContact CB-CE 3.92Å |
| 802 | F | 97.1 | Very high | 91 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.8 | -45.8 | 177.4 | -58.4 | -8.8 | 0 | 0 | 0 | 111 | M798 M799 L800 M804 L805 R806 F834 M837 A838 I841 L852 T855 Y856 | M798-F802 HydrophobicContact CB-CE1 4.45Å; M798-F802 HydrophobicContact CB-CZ 4.27Å; M798-F802 WeakPolarHBondContact O-CD1 3.39Å; M798-F802 WeakPolarHBondContact O-CG 3.46Å; M798-F802 PolarHBondContact O-N 2.9Å; M799-F802 WeakPolarHBondContact O-CB 3.41Å; M799-F802 PolarHBondContact O-N 2.93Å; L800-F802 VanDerWaalsContact C-N 3.33Å; F802-M804 VanDerWaalsContact C-N 3.28Å; F802-M804 PolarHBondContact O-N 3.45Å; F802-L805 PolarHBondContact O-N 3.4Å; F802-R806 PolarHBondContact O-N 3.25Å; F802-F834 HydrophobicContact CB-CE2 4.39Å; F802-F834 AromaticContact CD1-CD2 3.26Å; F802-F834 HydrophobicContact CD1-CD2 3.26Å; F802-F834 AromaticContact CD1-CE2 3.55Å; F802-F834 HydrophobicContact CD1-CE2 3.55Å; F802-F834 HydrophobicContact CD1-CG 4.48Å; F802-F834 HydrophobicContact CD2-CE2 4.03Å; F802-F834 AromaticContact CE1-CD2 3.31Å; F802-F834 HydrophobicContact CE1-CD2 3.31Å; F802-F834 AromaticContact CE1-CE2 3.64Å; F802-F834 HydrophobicContact CE1-CE2 3.64Å; F802-F834 HydrophobicContact CE1-CG 4.35Å; F802-F834 HydrophobicContact CE2-CE2 4.13Å; F802-F834 AromaticContact CG-CD2 3.92Å; F802-F834 HydrophobicContact CG-CD2 3.92Å; F802-F834 AromaticContact CG-CE2 3.73Å; F802-F834 HydrophobicContact CG-CE2 3.73Å; F802-F834 HydrophobicContact CZ-CD2 4.04Å; F802-F834 AromaticContact CZ-CE2 3.94Å; F802-F834 HydrophobicContact CZ-CE2 3.94Å; F802-M837 HydrophobicContact CD1-CE 4.44Å; F802-M837 HydrophobicContact CE1-CB 4Å; F802-M837 HydrophobicContact CE1-CE 3.97Å; F802-M837 HydrophobicContact CZ-CB 4.14Å; F802-A838 HydrophobicContact CZ-CB 4.4Å; F802-I841 HydrophobicContact CE2-CD1 3.84Å; F802-I841 HydrophobicContact CZ-CD1 3.85Å; F802-L852 HydrophobicContact CE2-CD1 4.35Å; F802-T855 HydrophobicContact CB-CG2 3.92Å; F802-Y856 HydrophobicContact CE2-CD2 4.2Å |
| 803 | A | 96.2 | Very high | 90.2 | Very high | 22 Ų | 22 | 25 Ų | 25 | 18% | 0.182 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.3 | -35.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I742 M799 L800 R806 S807 T855 | I742-A803 HydrophobicContact CD1-CB 3.64Å; I742-A803 HydrophobicContact CG1-CB 4.11Å; M799-A803 PolarHBondContact O-N 3.41Å; L800-A803 PolarHBondContact O-N 3.42Å; A803-R806 WeakPolarHBondContact O-CB 3.46Å; A803-R806 PolarHBondContact O-N 3.1Å; A803-S807 PolarHBondContact O-N 3.4Å; A803-T855 HydrophobicContact CB-CG2 3.73Å |
| 804 | M | 95.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68 | -44.1 | 177.8 | -170.7 | 172.5 | 73.6 | 0 | 0 | 111.5 | L738 C741 I742 F768 L771 I772 L800 C801 F802 R806 S807 | L738-M804 HydrophobicContact CD2-CE 4.38Å; L738-M804 HydrophobicContact CD2-SD 4.28Å; C741-M804 HydrophobicContact CB-CG 4.06Å; C741-M804 HydrophobicContact CB-SD 3.22Å; C741-M804 WeakPolarHBondContact CB-SD 2.87Å; I742-M804 HydrophobicContact CG1-CB 3.84Å; I742-M804 HydrophobicContact CG1-CG 4.44Å; F768-M804 HydrophobicContact CB-CE 4.28Å; F768-M804 HydrophobicContact CD2-CG 3.38Å; F768-M804 HydrophobicContact CD2-SD 3.94Å; F768-M804 HydrophobicContact CE2-CG 3.67Å; F768-M804 HydrophobicContact CE2-SD 4.33Å; F768-M804 HydrophobicContact CG-CE 4.46Å; F768-M804 HydrophobicContact CG-CG 4.17Å; F768-M804 HydrophobicContact CG-SD 4.17Å; L771-M804 HydrophobicContact CD2-CE 3.84Å; L771-M804 HydrophobicContact CD2-SD 4.14Å; I772-M804 HydrophobicContact CB-CE 4.47Å; I772-M804 HydrophobicContact CD1-CE 3.41Å; I772-M804 VanDerWaalsContact CD1-CE 3.41Å; I772-M804 HydrophobicContact CG1-CE 3.09Å; L800-M804 VanDerWaalsContact O-CB 3.3Å; L800-M804 WeakPolarHBondContact O-CB 3.5Å; L800-M804 PolarHBondContact O-N 3.37Å; C801-M804 WeakPolarHBondContact O-CB 3.33Å; C801-M804 PolarHBondContact O-N 3.13Å; F802-M804 VanDerWaalsContact C-N 3.28Å; F802-M804 PolarHBondContact O-N 3.45Å; M804-R806 VanDerWaalsContact C-N 3.35Å; M804-R806 PolarHBondContact O-N 3.31Å; M804-S807 PolarHBondContact O-N 3.02Å; M804-S807 PolarHBondContact O-OG 3.32Å |
| 805 | L | 93.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.5 | -48.1 | 171.2 | -74.7 | 171.5 | 0 | 0 | 0 | 110.9 | I772 C801 F802 S807 I808 F809 A830 F834 F859 | I772-L805 HydrophobicContact CD1-CD1 4.13Å; I772-L805 HydrophobicContact CD1-CD2 3.38Å; I772-L805 HydrophobicContact CD1-CG 3.42Å; I772-L805 VanDerWaalsContact CD1-CG 3.42Å; C801-L805 PolarHBondContact O-N 3.5Å; F802-L805 PolarHBondContact O-N 3.4Å; L805-S807 PolarHBondContact O-N 2.93Å; L805-I808 WeakPolarHBondContact O-CB 3.21Å; L805-I808 PolarHBondContact O-N 3.49Å; L805-F809 WeakPolarHBondContact O-CD2 3.36Å; L805-F809 PolarHBondContact O-N 3.06Å; L805-A830 HydrophobicContact CD2-CB 4.11Å; L805-F834 HydrophobicContact CD1-CB 3.85Å; L805-F834 HydrophobicContact CD1-CD2 4.39Å; L805-F834 HydrophobicContact CD1-CG 4.37Å; L805-F859 HydrophobicContact CB-CD2 3.8Å; L805-F859 HydrophobicContact CB-CE1 4.18Å; L805-F859 HydrophobicContact CB-CE2 3.4Å; L805-F859 HydrophobicContact CB-CG 4.37Å; L805-F859 HydrophobicContact CB-CZ 3.59Å; L805-F859 HydrophobicContact CD1-CE1 3.82Å; L805-F859 HydrophobicContact CD1-CE2 4.45Å; L805-F859 HydrophobicContact CD1-CZ 3.76Å; L805-F859 HydrophobicContact CG-CE2 4.44Å; L805-F859 HydrophobicContact CG-CZ 4.19Å |
| 806 | R | 93.6 | Very high | 88.8 | Confident | 81 Ų | 81 | 28 Ų | 28 | 31% | 0.306 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -52.1 | -43.9 | 176.9 | -173.8 | -165.4 | -179.2 | 173.2 | 13.6 | 112.1 | F802 A803 M804 I808 F809 T810 D858 F859 A862 | F802-R806 PolarHBondContact O-N 3.25Å; A803-R806 WeakPolarHBondContact O-CB 3.46Å; A803-R806 PolarHBondContact O-N 3.1Å; M804-R806 VanDerWaalsContact C-N 3.35Å; M804-R806 PolarHBondContact O-N 3.31Å; R806-I808 PolarHBondContact O-N 3.12Å; R806-F809 PolarHBondContact O-N 3.19Å; R806-F809 VanDerWaalsContact O-N 3.14Å; R806-T810 HydrophobicContact CG-CG2 3.94Å; R806-T810 PolarHBondContact O-N 2.65Å; R806-T810 PolarHBondContact O-OG1 3.44Å; R806-D858 VanDerWaalsContact CZ-CB 3.41Å; R806-D858 IonicContact CZ-OD1 2.81Å; R806-D858 IonicContact CZ-OD2 3.9Å; R806-D858 VanDerWaalsContact NH1-CB 3.33Å; R806-D858 IonicContact NH1-OD1 2.6Å; R806-D858 PolarHBondContact NH1-OD1 3.17Å; R806-D858 IonicContact NH1-OD2 3.88Å; R806-D858 PolarHBondContact NH1-OD2 2.77Å; R806-D858 VanDerWaalsContact NH2-CG 3.27Å; R806-D858 IonicContact NH2-OD1 3.77Å; R806-D858 PolarHBondContact NH2-OD1 2.76Å; R806-D858 IonicContact NH2-OD2 3.01Å; R806-F859 HydrophobicContact CB-CB 4.25Å; R806-F859 HydrophobicContact CB-CD2 4.02Å; R806-A862 HydrophobicContact CG-CB 4.27Å |
| 807 | S | 90.5 | Very high | 88 | Confident | 5 Ų | 5 | 27.5 Ų | 27.5 | 4% | 0.035 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59 | -31.4 | -179.5 | 75.6 | 0 | 0 | 0 | 0 | 113.6 | A803 M804 L805 G811 | A803-S807 PolarHBondContact O-N 3.4Å; M804-S807 PolarHBondContact O-N 3.02Å; M804-S807 PolarHBondContact O-OG 3.32Å; L805-S807 PolarHBondContact O-N 2.93Å; S807-G811 PolarHBondContact O-N 2.9Å |
| 808 | I | 87.6 | Confident | 87.5 | Confident | 15 Ų | 15 | 29.1 Ų | 29.1 | 8% | 0.077 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -74 | -47.3 | 175.3 | -59.8 | 165.7 | 0 | 0 | 0 | 110.5 | A765 F768 L805 R806 T810 G811 I814 F816 | A765-I808 HydrophobicContact CB-CD1 4.45Å; A765-I808 HydrophobicContact CB-CG2 4.05Å; F768-I808 HydrophobicContact CB-CD1 3.61Å; F768-I808 HydrophobicContact CD2-CD1 3.42Å; F768-I808 VanDerWaalsContact CD2-CD1 3.42Å; F768-I808 HydrophobicContact CD2-CG1 3.65Å; F768-I808 HydrophobicContact CE2-CD1 4.38Å; F768-I808 HydrophobicContact CE2-CG1 4.14Å; F768-I808 HydrophobicContact CG-CD1 3.89Å; F768-I808 HydrophobicContact CG-CG1 4.47Å; L805-I808 WeakPolarHBondContact O-CB 3.21Å; L805-I808 PolarHBondContact O-N 3.49Å; R806-I808 PolarHBondContact O-N 3.12Å; I808-T810 PolarHBondContact O-N 3.01Å; I808-G811 PolarHBondContact O-N 3.47Å; I808-I814 HydrophobicContact CG2-CD1 3.66Å; I808-I814 HydrophobicContact CG2-CG1 4.27Å; I808-F816 HydrophobicContact CG2-CE1 3.78Å; I808-F816 HydrophobicContact CG2-CZ 3.84Å |
| 809 | F | 87.6 | Confident | 87 | Confident | 7 Ų | 7 | 29.8 Ų | 29.8 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.2 | -31.5 | -176.4 | -80.1 | -97.3 | 0 | 0 | 0 | 113.3 | L805 R806 F816 I827 L831 F859 A862 L863 Y867 | L805-F809 WeakPolarHBondContact O-CD2 3.36Å; L805-F809 PolarHBondContact O-N 3.06Å; R806-F809 PolarHBondContact O-N 3.19Å; R806-F809 VanDerWaalsContact O-N 3.14Å; F809-F816 HydrophobicContact CB-CZ 4.37Å; F809-F816 HydrophobicContact CD1-CE1 4.31Å; F809-F816 AromaticContact CD1-CE2 3.89Å; F809-F816 HydrophobicContact CD1-CE2 3.89Å; F809-F816 AromaticContact CD1-CZ 3.67Å; F809-F816 HydrophobicContact CD1-CZ 3.67Å; F809-F816 HydrophobicContact CD2-CE1 4.25Å; F809-F816 AromaticContact CD2-CZ 3.97Å; F809-F816 HydrophobicContact CD2-CZ 3.97Å; F809-F816 HydrophobicContact CE1-CE1 4.05Å; F809-F816 HydrophobicContact CE1-CE2 4.13Å; F809-F816 AromaticContact CE1-CZ 3.85Å; F809-F816 HydrophobicContact CE1-CZ 3.85Å; F809-F816 HydrophobicContact CE2-CE1 4.01Å; F809-F816 HydrophobicContact CE2-CZ 4.16Å; F809-F816 HydrophobicContact CG-CE1 4.42Å; F809-F816 HydrophobicContact CG-CE2 4.33Å; F809-F816 AromaticContact CG-CZ 3.74Å; F809-F816 HydrophobicContact CG-CZ 3.74Å; F809-F816 HydrophobicContact CZ-CD1 4.45Å; F809-F816 AromaticContact CZ-CE1 3.91Å; F809-F816 HydrophobicContact CZ-CE1 3.91Å; F809-F816 HydrophobicContact CZ-CZ 4.1Å; F809-I827 HydrophobicContact CZ-CG2 4.24Å; F809-L831 HydrophobicContact CE2-CD2 4.37Å; F809-L831 HydrophobicContact CZ-CD2 4.16Å; F809-F859 AromaticContact CD2-CE2 3.66Å; F809-F859 HydrophobicContact CD2-CE2 3.66Å; F809-F859 HydrophobicContact CD2-CZ 4.35Å; F809-F859 AromaticContact CE2-CE2 3.94Å; F809-F859 HydrophobicContact CE2-CE2 3.94Å; F809-F859 HydrophobicContact CE2-CZ 4.18Å; F809-F859 HydrophobicContact CG-CE2 4.21Å; F809-A862 HydrophobicContact CB-CB 4.06Å; F809-L863 HydrophobicContact CD1-CD1 4.42Å; F809-L863 HydrophobicContact CE1-CD1 3.68Å; F809-L863 HydrophobicContact CZ-CD1 3.75Å; F809-Y867 AromaticContact CE1-CD2 3.79Å; F809-Y867 HydrophobicContact CE1-CD2 3.79Å; F809-Y867 HydrophobicContact CE1-CE2 4.32Å; F809-Y867 HydrophobicContact CE1-CG 4.15Å |
| 810 | T | 86 | Confident | 86.2 | Confident | 79 Ų | 79 | 32.9 Ų | 32.9 | 49% | 0.485 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -90.2 | -13.2 | 177.8 | 61.3 | 0 | 0 | 0 | 0 | 113.6 | R806 I808 N812 A862 | R806-T810 HydrophobicContact CG-CG2 3.94Å; R806-T810 PolarHBondContact O-N 2.65Å; R806-T810 PolarHBondContact O-OG1 3.44Å; I808-T810 PolarHBondContact O-N 3.01Å; T810-N812 VanDerWaalsContact C-N 3.28Å; T810-N812 PolarHBondContact O-N 3.42Å; T810-A862 HydrophobicContact CG2-CB 3.81Å |
| 811 | G | 77.7 | Confident | 85.4 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -69.8 | -19.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N747 S807 I808 C813 | N747-G811 PolarHBondContact ND2-O 3.31Å; S807-G811 PolarHBondContact O-N 2.9Å; I808-G811 PolarHBondContact O-N 3.47Å; G811-C813 PolarHBondContact O-N 2.96Å; G811-C813 PolarHBondContact O-SG 2.78Å |
| 812 | N | 76.7 | Confident | 84.9 | Confident | 132 Ų | 132 | 48.6 Ų | 48.6 | 71% | 0.706 | 26% | 0.261 | S | S | * | . | trans | 52.7 | 27.7 | -172.3 | -67.7 | -18.8 | 0 | 0 | 0 | 113.8 | T810 | T810-N812 VanDerWaalsContact C-N 3.28Å; T810-N812 PolarHBondContact O-N 3.42Å | ||
| 813 | C | 69.7 | Low | 84.3 | Confident | 32 Ų | 32 | 51.8 Ų | 51.8 | 22% | 0.216 | 29% | 0.294 | C | S | . | . | trans | -89.2 | -18.5 | -174 | -54 | 0 | 0 | 0 | 0 | 113.8 | V752 Y754 G811 | V752-C813 HydrophobicContact CG1-CB 4.39Å; V752-C813 WeakPolarHBondContact CG1-SG 3.22Å; V752-C813 PolarHBondContact O-SG 3.41Å; Y754-C813 HydrophobicContact CD2-CB 4.47Å; G811-C813 PolarHBondContact O-N 2.96Å; G811-C813 PolarHBondContact O-SG 2.78Å | ||
| 814 | I | 78.2 | Confident | 83.8 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 11% | 0.113 | 30% | 0.299 | C | S | . | . | trans | -137.3 | 147.2 | -172.9 | 54.2 | 165.3 | 0 | 0 | 0 | 111.2 | G761 Y762 A765 I808 F816 F819 | G761-I814 WeakPolarHBondContact O-CG2 3.04Å; Y762-I814 HydrophobicContact CD1-CB 4.24Å; Y762-I814 HydrophobicContact CD1-CG2 4.04Å; Y762-I814 HydrophobicContact CE1-CB 4.03Å; Y762-I814 HydrophobicContact CE1-CG2 4.19Å; Y762-I814 HydrophobicContact CG-CG2 4.22Å; A765-I814 HydrophobicContact CB-CD1 3.59Å; I808-I814 HydrophobicContact CG2-CD1 3.66Å; I808-I814 HydrophobicContact CG2-CG1 4.27Å; I814-F816 HydrophobicContact CD1-CD1 3.52Å; I814-F816 HydrophobicContact CD1-CE1 3.32Å; I814-F816 HydrophobicContact CD1-CE2 4.4Å; I814-F816 HydrophobicContact CD1-CG 4.16Å; I814-F816 HydrophobicContact CD1-CZ 3.79Å; I814-F816 HydrophobicContact CG1-CD1 4.25Å; I814-F816 HydrophobicContact CG1-CD2 4.47Å; I814-F816 HydrophobicContact CG1-CE1 4.02Å; I814-F816 HydrophobicContact CG1-CE2 4.22Å; I814-F816 HydrophobicContact CG1-CG 4.46Å; I814-F816 HydrophobicContact CG1-CZ 3.98Å; I814-F819 HydrophobicContact CD1-CE2 4.04Å | ||
| 815 | N | 81.5 | Confident | 83.6 | Confident | 104 Ų | 104 | 56 Ų | 56 | 56% | 0.556 | 32% | 0.318 | S | S | * | . | trans | -94.4 | 106.6 | 164 | -176.6 | -18.5 | 0 | 0 | 0 | 108.4 | G817 V818 | N815-G817 PolarHBondContact O-N 3.34Å; N815-G817 VanDerWaalsContact O-N 3.16Å; N815-G817 PolarHBondContact OD1-N 3.46Å; N815-V818 HydrophobicContact CB-CG2 4.28Å; N815-V818 WeakPolarHBondContact O-CB 3.39Å; N815-V818 VanDerWaalsContact O-CG2 3.3Å; N815-V818 WeakPolarHBondContact O-CG2 3.25Å; N815-V818 PolarHBondContact O-N 3.17Å; N815-V818 VanDerWaalsContact O-N 3.09Å | ||
| 816 | F | 80.3 | Confident | 83.4 | Confident | 10 Ų | 10 | 56.6 Ų | 56.6 | 4% | 0.044 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -19 | -174.5 | -59 | -92.7 | 0 | 0 | 0 | 114.2 | I808 F809 I814 V818 F819 I827 Y867 | I808-F816 HydrophobicContact CG2-CE1 3.78Å; I808-F816 HydrophobicContact CG2-CZ 3.84Å; F809-F816 HydrophobicContact CB-CZ 4.37Å; F809-F816 HydrophobicContact CD1-CE1 4.31Å; F809-F816 AromaticContact CD1-CE2 3.89Å; F809-F816 HydrophobicContact CD1-CE2 3.89Å; F809-F816 AromaticContact CD1-CZ 3.67Å; F809-F816 HydrophobicContact CD1-CZ 3.67Å; F809-F816 HydrophobicContact CD2-CE1 4.25Å; F809-F816 AromaticContact CD2-CZ 3.97Å; F809-F816 HydrophobicContact CD2-CZ 3.97Å; F809-F816 HydrophobicContact CE1-CE1 4.05Å; F809-F816 HydrophobicContact CE1-CE2 4.13Å; F809-F816 AromaticContact CE1-CZ 3.85Å; F809-F816 HydrophobicContact CE1-CZ 3.85Å; F809-F816 HydrophobicContact CE2-CE1 4.01Å; F809-F816 HydrophobicContact CE2-CZ 4.16Å; F809-F816 HydrophobicContact CG-CE1 4.42Å; F809-F816 HydrophobicContact CG-CE2 4.33Å; F809-F816 AromaticContact CG-CZ 3.74Å; F809-F816 HydrophobicContact CG-CZ 3.74Å; F809-F816 HydrophobicContact CZ-CD1 4.45Å; F809-F816 AromaticContact CZ-CE1 3.91Å; F809-F816 HydrophobicContact CZ-CE1 3.91Å; F809-F816 HydrophobicContact CZ-CZ 4.1Å; I814-F816 HydrophobicContact CD1-CD1 3.52Å; I814-F816 HydrophobicContact CD1-CE1 3.32Å; I814-F816 HydrophobicContact CD1-CE2 4.4Å; I814-F816 HydrophobicContact CD1-CG 4.16Å; I814-F816 HydrophobicContact CD1-CZ 3.79Å; I814-F816 HydrophobicContact CG1-CD1 4.25Å; I814-F816 HydrophobicContact CG1-CD2 4.47Å; I814-F816 HydrophobicContact CG1-CE1 4.02Å; I814-F816 HydrophobicContact CG1-CE2 4.22Å; I814-F816 HydrophobicContact CG1-CG 4.46Å; I814-F816 HydrophobicContact CG1-CZ 3.98Å; F816-V818 PolarHBondContact O-N 2.94Å; F816-V818 VanDerWaalsContact O-N 3.08Å; F816-F819 WeakPolarHBondContact O-CB 3.24Å; F816-F819 PolarHBondContact O-N 3.18Å; F816-I827 HydrophobicContact CD1-CD1 4.1Å; F816-I827 HydrophobicContact CD1-CG1 4.22Å; F816-I827 HydrophobicContact CD1-CG2 4.36Å; F816-I827 HydrophobicContact CE1-CD1 4.1Å; F816-Y867 HydrophobicContact CB-CE2 3.41Å; F816-Y867 VanDerWaalsContact CB-CE2 3.41Å; F816-Y867 VanDerWaalsContact CB-CZ 3.44Å; F816-Y867 WeakPolarHBondContact CB-OH 3.08Å; F816-Y867 HydrophobicContact CD1-CE2 4.48Å; F816-Y867 AromaticContact CD2-CE2 3.87Å; F816-Y867 HydrophobicContact CD2-CE2 3.87Å; F816-Y867 AromaticContact CG-CE2 3.72Å; F816-Y867 HydrophobicContact CG-CE2 3.72Å; F816-Y867 PolarHBondContact O-OH 3.15Å |
| 817 | G | 77.4 | Confident | 83.3 | Confident | 26 Ų | 26 | 53 Ų | 53 | 27% | 0.268 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61 | -16.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N815 F819 S820 L821 | N815-G817 PolarHBondContact O-N 3.34Å; N815-G817 VanDerWaalsContact O-N 3.16Å; N815-G817 PolarHBondContact OD1-N 3.46Å; G817-F819 VanDerWaalsContact C-N 3.34Å; G817-S820 PolarHBondContact O-OG 3.4Å; G817-L821 VanDerWaalsContact O-CG 3.29Å; G817-L821 WeakPolarHBondContact O-CG 3.18Å; G817-L821 PolarHBondContact O-N 3.32Å |
| 818 | V | 82.1 | Confident | 83.2 | Confident | 37 Ų | 37 | 55.8 Ų | 55.8 | 22% | 0.224 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66 | -36.1 | 172.8 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | Y762 N815 F816 S820 L821 Y822 | Y762-V818 HydrophobicContact CD1-CB 4.28Å; Y762-V818 HydrophobicContact CD1-CG1 4.21Å; Y762-V818 HydrophobicContact CE1-CB 3.65Å; Y762-V818 HydrophobicContact CE1-CG1 3.89Å; Y762-V818 HydrophobicContact CE1-CG2 3.82Å; N815-V818 HydrophobicContact CB-CG2 4.28Å; N815-V818 WeakPolarHBondContact O-CB 3.39Å; N815-V818 VanDerWaalsContact O-CG2 3.3Å; N815-V818 WeakPolarHBondContact O-CG2 3.25Å; N815-V818 PolarHBondContact O-N 3.17Å; N815-V818 VanDerWaalsContact O-N 3.09Å; F816-V818 PolarHBondContact O-N 2.94Å; F816-V818 VanDerWaalsContact O-N 3.08Å; V818-S820 PolarHBondContact O-N 3.45Å; V818-L821 PolarHBondContact O-N 3.16Å; V818-Y822 HydrophobicContact CG1-CD2 3.6Å; V818-Y822 HydrophobicContact CG1-CE2 3.68Å; V818-Y822 WeakPolarHBondContact O-CD2 3.38Å; V818-Y822 PolarHBondContact O-N 2.9Å; V818-Y822 VanDerWaalsContact O-N 3.08Å |
| 819 | F | 84.6 | Confident | 83.5 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 6% | 0.057 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 179 | -73.6 | -90.9 | 0 | 0 | 0 | 111.1 | Y762 A765 I814 F816 G817 L821 Y822 G823 D824 S826 I827 | Y762-F819 AromaticContact CD1-CE2 3.87Å; Y762-F819 HydrophobicContact CD1-CE2 3.87Å; Y762-F819 HydrophobicContact CD1-CZ 4.29Å; A765-F819 HydrophobicContact CB-CZ 4.06Å; I814-F819 HydrophobicContact CD1-CE2 4.04Å; F816-F819 WeakPolarHBondContact O-CB 3.24Å; F816-F819 PolarHBondContact O-N 3.18Å; G817-F819 VanDerWaalsContact C-N 3.34Å; F819-L821 PolarHBondContact O-N 3.03Å; F819-Y822 PolarHBondContact O-N 3.21Å; F819-G823 PolarHBondContact O-N 3.13Å; F819-D824 HydrophobicContact CB-CB 4.48Å; F819-D824 HydrophobicContact CD1-CB 3.86Å; F819-D824 PolarHBondContact O-N 2.88Å; F819-S826 WeakPolarHBondContact CD1-OG 3.28Å; F819-S826 WeakPolarHBondContact CE1-OG 3.39Å; F819-I827 HydrophobicContact CD1-CG1 4.04Å; F819-I827 HydrophobicContact CD2-CG1 3.94Å; F819-I827 HydrophobicContact CE1-CG1 4.11Å; F819-I827 HydrophobicContact CE2-CD1 4.45Å; F819-I827 HydrophobicContact CE2-CG1 3.99Å; F819-I827 HydrophobicContact CG-CG1 3.97Å; F819-I827 HydrophobicContact CZ-CD1 4.42Å; F819-I827 HydrophobicContact CZ-CG1 4.09Å |
| 820 | S | 80.4 | Confident | 83.8 | Confident | 90 Ų | 90 | 56.8 Ų | 56.8 | 63% | 0.629 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.1 | -34.4 | 176.9 | 60.4 | 0 | 0 | 0 | 0 | 112.9 | G817 V818 G823 | G817-S820 PolarHBondContact O-OG 3.4Å; V818-S820 PolarHBondContact O-N 3.45Å; S820-G823 PolarHBondContact O-N 3.45Å |
| 821 | L | 81 | Confident | 84.2 | Confident | 144 Ų | 144 | 53 Ų | 53 | 75% | 0.754 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.2 | -37.6 | 175.4 | -75.7 | 169.4 | 0 | 0 | 0 | 113.3 | G817 V818 F819 | G817-L821 VanDerWaalsContact O-CG 3.29Å; G817-L821 WeakPolarHBondContact O-CG 3.18Å; G817-L821 PolarHBondContact O-N 3.32Å; V818-L821 PolarHBondContact O-N 3.16Å; F819-L821 PolarHBondContact O-N 3.03Å |
| 822 | Y | 85.7 | Confident | 84.9 | Confident | 199 Ų | 199 | 58.9 Ų | 58.9 | 78% | 0.78 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -91 | -2.4 | 178.6 | -75.4 | -79.1 | 0 | 0 | 0 | 113.8 | V818 F819 D824 | V818-Y822 HydrophobicContact CG1-CD2 3.6Å; V818-Y822 HydrophobicContact CG1-CE2 3.68Å; V818-Y822 WeakPolarHBondContact O-CD2 3.38Å; V818-Y822 PolarHBondContact O-N 2.9Å; V818-Y822 VanDerWaalsContact O-N 3.08Å; F819-Y822 PolarHBondContact O-N 3.21Å; Y822-D824 VanDerWaalsContact C-N 3.29Å |
| 823 | G | 83.8 | Confident | 85.8 | Confident | 67 Ų | 67 | 53.2 Ų | 53.2 | 69% | 0.691 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 24.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F819 S820 | F819-G823 PolarHBondContact O-N 3.13Å; S820-G823 PolarHBondContact O-N 3.45Å |
| 824 | D | 87.5 | Confident | 87.1 | Confident | 54 Ų | 54 | 51.7 Ų | 51.7 | 29% | 0.289 | 29% | 0.287 | S | S | . | . | trans | -84.5 | 114.8 | 175.8 | -170.7 | -21.1 | 0 | 0 | 0 | 109.7 | F819 Y822 S826 | F819-D824 HydrophobicContact CB-CB 4.48Å; F819-D824 HydrophobicContact CD1-CB 3.86Å; F819-D824 PolarHBondContact O-N 2.88Å; Y822-D824 VanDerWaalsContact C-N 3.29Å; D824-S826 VanDerWaalsContact C-N 3.31Å; D824-S826 PolarHBondContact O-N 3.35Å; D824-S826 VanDerWaalsContact OD1-CB 3.25Å; D824-S826 WeakPolarHBondContact OD1-CB 3.46Å; D824-S826 PolarHBondContact OD1-N 3.01Å; D824-S826 PolarHBondContact OD1-OG 3.05Å | ||
| 825 | S | 89.4 | Confident | 87.9 | Confident | 57 Ų | 57 | 51 Ų | 51 | 40% | 0.399 | 28% | 0.283 | S | S | . | . | trans | -84.7 | 2.9 | -177.9 | 65.8 | 0 | 0 | 0 | 0 | 114.2 | I827 D828 D829 | S825-I827 VanDerWaalsContact C-N 3.34Å; S825-I827 PolarHBondContact O-N 3.35Å; S825-D828 PolarHBondContact O-N 2.87Å; S825-D828 VanDerWaalsContact O-N 3.08Å; S825-D829 VanDerWaalsContact O-CG 3.24Å; S825-D829 PolarHBondContact O-N 3.46Å; S825-D829 PolarHBondContact OG-OD2 2.96Å | ||
| 826 | S | 90.5 | Very high | 88.5 | Confident | 13 Ų | 13 | 50 Ų | 50 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56 | -46 | -167.9 | 70.8 | 0 | 0 | 0 | 0 | 113.3 | S769 F819 D824 D829 A830 | S769-S826 VanDerWaalsContact CB-O 3.26Å; S769-S826 WeakPolarHBondContact CB-O 3.44Å; F819-S826 WeakPolarHBondContact CD1-OG 3.28Å; F819-S826 WeakPolarHBondContact CE1-OG 3.39Å; D824-S826 VanDerWaalsContact C-N 3.31Å; D824-S826 PolarHBondContact O-N 3.35Å; D824-S826 VanDerWaalsContact OD1-CB 3.25Å; D824-S826 WeakPolarHBondContact OD1-CB 3.46Å; D824-S826 PolarHBondContact OD1-N 3.01Å; D824-S826 PolarHBondContact OD1-OG 3.05Å; S826-D829 PolarHBondContact O-N 3.44Å; S826-A830 PolarHBondContact O-N 2.91Å; S826-A830 VanDerWaalsContact O-N 3.08Å |
| 827 | I | 90.7 | Very high | 89.2 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67 | -43.2 | -180 | -62.5 | -70.4 | 0 | 0 | 0 | 110.5 | A765 S769 F809 F816 F819 S825 D829 A830 L831 | A765-I827 HydrophobicContact CB-CD1 4.31Å; S769-I827 WeakPolarHBondContact OG-CD1 3.49Å; F809-I827 HydrophobicContact CZ-CG2 4.24Å; F816-I827 HydrophobicContact CD1-CD1 4.1Å; F816-I827 HydrophobicContact CD1-CG1 4.22Å; F816-I827 HydrophobicContact CD1-CG2 4.36Å; F816-I827 HydrophobicContact CE1-CD1 4.1Å; F819-I827 HydrophobicContact CD1-CG1 4.04Å; F819-I827 HydrophobicContact CD2-CG1 3.94Å; F819-I827 HydrophobicContact CE1-CG1 4.11Å; F819-I827 HydrophobicContact CE2-CD1 4.45Å; F819-I827 HydrophobicContact CE2-CG1 3.99Å; F819-I827 HydrophobicContact CG-CG1 3.97Å; F819-I827 HydrophobicContact CZ-CD1 4.42Å; F819-I827 HydrophobicContact CZ-CG1 4.09Å; S825-I827 VanDerWaalsContact C-N 3.34Å; S825-I827 PolarHBondContact O-N 3.35Å; I827-D829 VanDerWaalsContact C-N 3.3Å; I827-D829 PolarHBondContact O-N 3.04Å; I827-A830 PolarHBondContact O-N 3.14Å; I827-L831 HydrophobicContact CG2-CD1 4.08Å; I827-L831 HydrophobicContact CG2-CG 4.28Å; I827-L831 VanDerWaalsContact O-CG 3.3Å; I827-L831 WeakPolarHBondContact O-CG 3.33Å; I827-L831 PolarHBondContact O-N 3.41Å |
| 828 | D | 89.7 | Confident | 90 | Very high | 64 Ų | 64 | 48.3 Ų | 48.3 | 34% | 0.342 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 178.8 | -67 | -37.3 | 0 | 0 | 0 | 111.9 | S825 L831 R832 | S825-D828 PolarHBondContact O-N 2.87Å; S825-D828 VanDerWaalsContact O-N 3.08Å; D828-L831 PolarHBondContact O-N 3Å; D828-R832 WeakPolarHBondContact O-CB 3.46Å; D828-R832 PolarHBondContact O-N 3.09Å |
| 829 | D | 92.6 | Very high | 90.5 | Very high | 43 Ų | 43 | 50.1 Ų | 50.1 | 23% | 0.23 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 176.3 | -65.4 | -30.8 | 0 | 0 | 0 | 111.4 | T773 S825 S826 I827 R832 M833 | T773-D829 HydrophobicContact CG2-CB 4.48Å; S825-D829 VanDerWaalsContact O-CG 3.24Å; S825-D829 PolarHBondContact O-N 3.46Å; S825-D829 PolarHBondContact OG-OD2 2.96Å; S826-D829 PolarHBondContact O-N 3.44Å; I827-D829 VanDerWaalsContact C-N 3.3Å; I827-D829 PolarHBondContact O-N 3.04Å; D829-R832 PolarHBondContact O-N 2.92Å; D829-R832 IonicContact OD1-CZ 2.7Å; D829-R832 IonicContact OD1-NH1 2.67Å; D829-R832 PolarHBondContact OD1-NH1 2.91Å; D829-R832 IonicContact OD1-NH2 3.09Å; D829-R832 PolarHBondContact OD1-NH2 3.44Å; D829-M833 WeakPolarHBondContact O-CB 3.08Å; D829-M833 PolarHBondContact O-N 3.15Å |
| 830 | A | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.8 | -37.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I772 L805 S826 I827 M833 F834 | I772-A830 HydrophobicContact CD1-CB 4.44Å; L805-A830 HydrophobicContact CD2-CB 4.11Å; S826-A830 PolarHBondContact O-N 2.91Å; S826-A830 VanDerWaalsContact O-N 3.08Å; I827-A830 PolarHBondContact O-N 3.14Å; A830-M833 PolarHBondContact O-N 3Å; A830-F834 PolarHBondContact O-N 2.82Å |
| 831 | L | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.2 | -40.3 | 174 | -69.5 | 178.8 | 0 | 0 | 0 | 111.8 | F809 I827 D828 M833 F834 F835 F859 L863 Y867 F870 | F809-L831 HydrophobicContact CE2-CD2 4.37Å; F809-L831 HydrophobicContact CZ-CD2 4.16Å; I827-L831 HydrophobicContact CG2-CD1 4.08Å; I827-L831 HydrophobicContact CG2-CG 4.28Å; I827-L831 VanDerWaalsContact O-CG 3.3Å; I827-L831 WeakPolarHBondContact O-CG 3.33Å; I827-L831 PolarHBondContact O-N 3.41Å; D828-L831 PolarHBondContact O-N 3Å; L831-M833 VanDerWaalsContact C-N 3.34Å; L831-F834 WeakPolarHBondContact O-CB 3.39Å; L831-F834 PolarHBondContact O-N 2.65Å; L831-F835 WeakPolarHBondContact O-CD2 3.47Å; L831-F835 PolarHBondContact O-N 3.31Å; L831-F835 VanDerWaalsContact O-N 3.12Å; L831-F859 HydrophobicContact CD2-CE1 4.24Å; L831-F859 HydrophobicContact CD2-CZ 3.71Å; L831-L863 HydrophobicContact CD1-CD1 3.99Å; L831-L863 HydrophobicContact CD2-CD1 3.54Å; L831-L863 HydrophobicContact CD2-CD2 4.23Å; L831-L863 HydrophobicContact CG-CD1 4.44Å; L831-Y867 HydrophobicContact CD1-CD1 4.4Å; L831-F870 HydrophobicContact CB-CE1 3.86Å; L831-F870 HydrophobicContact CB-CZ 3.7Å; L831-F870 HydrophobicContact CD1-CD1 4.08Å; L831-F870 HydrophobicContact CD1-CD2 4.28Å; L831-F870 HydrophobicContact CD1-CE1 3.93Å; L831-F870 HydrophobicContact CD1-CE2 4.11Å; L831-F870 HydrophobicContact CD1-CG 4.26Å; L831-F870 HydrophobicContact CD1-CZ 3.93Å; L831-F870 HydrophobicContact CG-CE1 4.48Å; L831-F870 HydrophobicContact CG-CZ 4.48Å |
| 832 | R | 93 | Very high | 91.8 | Very high | 125 Ų | 125 | 42.7 Ų | 42.7 | 47% | 0.472 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.5 | -47 | 173.9 | -167.9 | -177.4 | -51.5 | 107.6 | 9.2 | 110.7 | D828 D829 F834 F835 E836 | D828-R832 WeakPolarHBondContact O-CB 3.46Å; D828-R832 PolarHBondContact O-N 3.09Å; D829-R832 PolarHBondContact O-N 2.92Å; D829-R832 IonicContact OD1-CZ 2.7Å; D829-R832 IonicContact OD1-NH1 2.67Å; D829-R832 PolarHBondContact OD1-NH1 2.91Å; D829-R832 IonicContact OD1-NH2 3.09Å; D829-R832 PolarHBondContact OD1-NH2 3.44Å; R832-F834 VanDerWaalsContact C-N 3.31Å; R832-F834 PolarHBondContact O-N 3.38Å; R832-F835 PolarHBondContact O-N 3.44Å; R832-E836 WeakPolarHBondContact O-CG 3.5Å; R832-E836 PolarHBondContact O-N 3.43Å |
| 833 | M | 95.8 | Very high | 91.8 | Very high | 13 Ų | 13 | 37.3 Ų | 37.3 | 6% | 0.064 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.1 | -38.2 | 175.9 | -172.8 | 53.7 | 60.8 | 0 | 0 | 112.2 | I772 G776 L780 D829 A830 L831 F835 E836 M837 | I772-M833 HydrophobicContact CG2-CB 4.32Å; I772-M833 HydrophobicContact CG2-CG 4.07Å; G776-M833 VanDerWaalsContact C-SD 3.5Å; G776-M833 VanDerWaalsContact CA-SD 3.52Å; L780-M833 HydrophobicContact CD1-CE 4.47Å; L780-M833 HydrophobicContact CD1-SD 3.66Å; D829-M833 WeakPolarHBondContact O-CB 3.08Å; D829-M833 PolarHBondContact O-N 3.15Å; A830-M833 PolarHBondContact O-N 3Å; L831-M833 VanDerWaalsContact C-N 3.34Å; M833-F835 PolarHBondContact O-N 3.38Å; M833-E836 PolarHBondContact O-N 2.9Å; M833-M837 HydrophobicContact CG-CE 3.97Å; M833-M837 HydrophobicContact CG-SD 4.44Å; M833-M837 WeakPolarHBondContact O-CB 3.5Å; M833-M837 VanDerWaalsContact O-CG 3.31Å; M833-M837 WeakPolarHBondContact O-CG 3.17Å; M833-M837 PolarHBondContact O-N 3.34Å; M833-M837 HydrophobicContact SD-CG 4.26Å |
| 834 | F | 96.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.9 | -49.9 | 172.8 | 163.2 | -99.6 | 0 | 0 | 0 | 112.1 | F802 L805 A830 L831 R832 M837 A838 Y856 F859 L860 | F802-F834 HydrophobicContact CB-CE2 4.39Å; F802-F834 AromaticContact CD1-CD2 3.26Å; F802-F834 HydrophobicContact CD1-CD2 3.26Å; F802-F834 AromaticContact CD1-CE2 3.55Å; F802-F834 HydrophobicContact CD1-CE2 3.55Å; F802-F834 HydrophobicContact CD1-CG 4.48Å; F802-F834 HydrophobicContact CD2-CE2 4.03Å; F802-F834 AromaticContact CE1-CD2 3.31Å; F802-F834 HydrophobicContact CE1-CD2 3.31Å; F802-F834 AromaticContact CE1-CE2 3.64Å; F802-F834 HydrophobicContact CE1-CE2 3.64Å; F802-F834 HydrophobicContact CE1-CG 4.35Å; F802-F834 HydrophobicContact CE2-CE2 4.13Å; F802-F834 AromaticContact CG-CD2 3.92Å; F802-F834 HydrophobicContact CG-CD2 3.92Å; F802-F834 AromaticContact CG-CE2 3.73Å; F802-F834 HydrophobicContact CG-CE2 3.73Å; F802-F834 HydrophobicContact CZ-CD2 4.04Å; F802-F834 AromaticContact CZ-CE2 3.94Å; F802-F834 HydrophobicContact CZ-CE2 3.94Å; L805-F834 HydrophobicContact CD1-CB 3.85Å; L805-F834 HydrophobicContact CD1-CD2 4.39Å; L805-F834 HydrophobicContact CD1-CG 4.37Å; A830-F834 PolarHBondContact O-N 2.82Å; L831-F834 WeakPolarHBondContact O-CB 3.39Å; L831-F834 PolarHBondContact O-N 2.65Å; R832-F834 VanDerWaalsContact C-N 3.31Å; R832-F834 PolarHBondContact O-N 3.38Å; F834-M837 PolarHBondContact O-N 3.1Å; F834-A838 WeakPolarHBondContact O-CB 3.1Å; F834-A838 PolarHBondContact O-N 3.46Å; F834-Y856 HydrophobicContact CE1-CE2 4.19Å; F834-Y856 AromaticContact CE2-CD2 3.87Å; F834-Y856 HydrophobicContact CE2-CD2 3.87Å; F834-Y856 HydrophobicContact CE2-CE2 4.19Å; F834-Y856 AromaticContact CZ-CD2 3.53Å; F834-Y856 HydrophobicContact CZ-CD2 3.53Å; F834-Y856 AromaticContact CZ-CE2 3.45Å; F834-Y856 HydrophobicContact CZ-CE2 3.45Å; F834-Y856 VanDerWaalsContact CZ-CE2 3.45Å; F834-F859 HydrophobicContact CB-CE1 4.4Å; F834-F859 HydrophobicContact CD1-CD1 4.24Å; F834-F859 AromaticContact CD1-CE1 3.78Å; F834-F859 HydrophobicContact CD1-CE1 3.78Å; F834-F859 AromaticContact CD2-CD1 3.62Å; F834-F859 HydrophobicContact CD2-CD1 3.62Å; F834-F859 AromaticContact CD2-CE1 3.66Å; F834-F859 HydrophobicContact CD2-CE1 3.66Å; F834-F859 AromaticContact CE1-CD1 3.97Å; F834-F859 HydrophobicContact CE1-CD1 3.97Å; F834-F859 AromaticContact CE1-CE1 3.9Å; F834-F859 HydrophobicContact CE1-CE1 3.9Å; F834-F859 AromaticContact CE2-CD1 3.37Å; F834-F859 HydrophobicContact CE2-CD1 3.37Å; F834-F859 AromaticContact CE2-CE1 3.85Å; F834-F859 HydrophobicContact CE2-CE1 3.85Å; F834-F859 HydrophobicContact CE2-CG 4.49Å; F834-F859 HydrophobicContact CG-CD1 4.08Å; F834-F859 AromaticContact CG-CE1 3.66Å; F834-F859 HydrophobicContact CG-CE1 3.66Å; F834-F859 AromaticContact CZ-CD1 3.54Å; F834-F859 HydrophobicContact CZ-CD1 3.54Å; F834-F859 AromaticContact CZ-CE1 3.95Å; F834-F859 HydrophobicContact CZ-CE1 3.95Å; F834-L860 HydrophobicContact CE1-CD2 3.92Å; F834-L860 HydrophobicContact CZ-CD2 4.09Å; F834-L860 HydrophobicContact CZ-CG 4.4Å |
| 835 | F | 94.8 | Very high | 92 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.035 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.9 | -35.9 | 179.9 | -74 | -67.3 | 0 | 0 | 0 | 112.5 | L831 R832 M833 A838 L839 L860 L863 F870 L874 V878 V882 | L831-F835 WeakPolarHBondContact O-CD2 3.47Å; L831-F835 PolarHBondContact O-N 3.31Å; L831-F835 VanDerWaalsContact O-N 3.12Å; R832-F835 PolarHBondContact O-N 3.44Å; M833-F835 PolarHBondContact O-N 3.38Å; F835-A838 PolarHBondContact O-N 3.43Å; F835-L839 WeakPolarHBondContact O-CB 3.48Å; F835-L839 WeakPolarHBondContact O-CD1 3.15Å; F835-L839 VanDerWaalsContact O-CG 3.23Å; F835-L839 WeakPolarHBondContact O-CG 3.21Å; F835-L839 PolarHBondContact O-N 3.19Å; F835-L860 HydrophobicContact CE1-CD2 4.29Å; F835-L860 HydrophobicContact CZ-CD2 4.35Å; F835-L863 HydrophobicContact CE2-CD2 4.28Å; F835-L863 HydrophobicContact CZ-CD2 4.07Å; F835-F870 HydrophobicContact CD2-CE1 4.27Å; F835-F870 HydrophobicContact CE2-CD1 4.37Å; F835-F870 AromaticContact CE2-CE1 3.77Å; F835-F870 HydrophobicContact CE2-CE1 3.77Å; F835-L874 HydrophobicContact CD1-CD1 4.26Å; F835-L874 HydrophobicContact CD2-CD1 4.39Å; F835-L874 HydrophobicContact CD2-CD2 3.88Å; F835-L874 HydrophobicContact CE1-CD1 3.71Å; F835-L874 HydrophobicContact CE2-CD1 3.9Å; F835-L874 HydrophobicContact CE2-CD2 3.84Å; F835-L874 HydrophobicContact CE2-CG 4.49Å; F835-L874 HydrophobicContact CG-CD2 4.48Å; F835-L874 HydrophobicContact CZ-CD1 3.52Å; F835-L874 HydrophobicContact CZ-CD2 4.34Å; F835-V878 HydrophobicContact CB-CG1 4Å; F835-V878 HydrophobicContact CD1-CG1 3.67Å; F835-V878 HydrophobicContact CE1-CG1 4.42Å; F835-V878 HydrophobicContact CG-CG1 3.91Å; F835-V882 HydrophobicContact CD1-CG2 4.18Å; F835-V882 HydrophobicContact CE1-CG2 3.6Å |
| 836 | E | 95.1 | Very high | 92 | Very high | 83 Ų | 83 | 38.3 Ų | 38.3 | 39% | 0.388 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.6 | -45.3 | 173.2 | -71.7 | 173 | -172.5 | 0 | 0 | 111.6 | L780 R832 M833 L839 D840 | L780-E836 HydrophobicContact CD1-CB 3.79Å; R832-E836 WeakPolarHBondContact O-CG 3.5Å; R832-E836 PolarHBondContact O-N 3.43Å; M833-E836 PolarHBondContact O-N 2.9Å; E836-L839 PolarHBondContact O-N 2.9Å; E836-D840 WeakPolarHBondContact O-CB 3.26Å; E836-D840 PolarHBondContact O-N 3.49Å; E836-D840 VanDerWaalsContact O-N 3.08Å |
| 837 | M | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.1 | -40 | 174.2 | -69.8 | -172.4 | -66.9 | 0 | 0 | 112.6 | I772 L780 M798 C801 F802 M833 F834 D840 I841 | I772-M837 HydrophobicContact CG2-CE 3.95Å; L780-M837 HydrophobicContact CD1-CG 4.5Å; L780-M837 HydrophobicContact CD2-CG 4.3Å; L780-M837 HydrophobicContact CG-CG 4.45Å; M798-M837 HydrophobicContact CB-CB 4.48Å; M798-M837 HydrophobicContact CB-SD 4.26Å; M798-M837 HydrophobicContact CE-CB 4.19Å; M798-M837 HydrophobicContact CE-CG 4.07Å; M798-M837 HydrophobicContact CG-CB 4.07Å; M798-M837 HydrophobicContact CG-CG 4.11Å; M798-M837 HydrophobicContact CG-SD 3.76Å; M798-M837 HydrophobicContact SD-CB 4.09Å; M798-M837 HydrophobicContact SD-CG 4.44Å; C801-M837 HydrophobicContact CB-CE 3.92Å; F802-M837 HydrophobicContact CD1-CE 4.44Å; F802-M837 HydrophobicContact CE1-CB 4Å; F802-M837 HydrophobicContact CE1-CE 3.97Å; F802-M837 HydrophobicContact CZ-CB 4.14Å; M833-M837 HydrophobicContact CG-CE 3.97Å; M833-M837 HydrophobicContact CG-SD 4.44Å; M833-M837 WeakPolarHBondContact O-CB 3.5Å; M833-M837 VanDerWaalsContact O-CG 3.31Å; M833-M837 WeakPolarHBondContact O-CG 3.17Å; M833-M837 PolarHBondContact O-N 3.34Å; M833-M837 HydrophobicContact SD-CG 4.26Å; F834-M837 PolarHBondContact O-N 3.1Å; M837-D840 PolarHBondContact O-N 2.86Å; M837-I841 WeakPolarHBondContact O-CD1 2.86Å; M837-I841 VanDerWaalsContact O-CG1 3.31Å; M837-I841 WeakPolarHBondContact O-CG1 3.16Å; M837-I841 PolarHBondContact O-N 3.41Å; M837-I841 VanDerWaalsContact O-N 3.09Å |
| 838 | A | 94 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.3 | -46.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F802 F834 F835 D840 I841 G842 Y856 Y881 | F802-A838 HydrophobicContact CZ-CB 4.4Å; F834-A838 WeakPolarHBondContact O-CB 3.1Å; F834-A838 PolarHBondContact O-N 3.46Å; F835-A838 PolarHBondContact O-N 3.43Å; A838-D840 VanDerWaalsContact C-N 3.28Å; A838-D840 PolarHBondContact O-N 3.02Å; A838-I841 WeakPolarHBondContact O-CB 3.49Å; A838-I841 PolarHBondContact O-N 2.94Å; A838-G842 PolarHBondContact O-N 3.46Å; A838-Y856 HydrophobicContact CB-CD2 4.27Å; A838-Y856 HydrophobicContact CB-CE2 3.73Å; A838-Y881 HydrophobicContact CB-CE1 4.02Å; A838-Y881 PolarHBondContact O-OH 3.02Å |
| 839 | L | 93.4 | Very high | 91.5 | Very high | 76 Ų | 76 | 47.4 Ų | 47.4 | 40% | 0.398 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60 | -39.2 | 177.3 | -71.2 | 165.8 | 0 | 0 | 0 | 112.2 | F835 E836 G842 V878 Y881 | F835-L839 WeakPolarHBondContact O-CB 3.48Å; F835-L839 WeakPolarHBondContact O-CD1 3.15Å; F835-L839 VanDerWaalsContact O-CG 3.23Å; F835-L839 WeakPolarHBondContact O-CG 3.21Å; F835-L839 PolarHBondContact O-N 3.19Å; E836-L839 PolarHBondContact O-N 2.9Å; L839-G842 PolarHBondContact O-N 3.34Å; L839-V878 HydrophobicContact CD1-CG2 4.06Å; L839-Y881 HydrophobicContact CD2-CD1 3.89Å; L839-Y881 HydrophobicContact CD2-CD2 3.74Å; L839-Y881 HydrophobicContact CD2-CE1 4.4Å; L839-Y881 HydrophobicContact CD2-CE2 4.24Å; L839-Y881 HydrophobicContact CD2-CG 3.53Å |
| 840 | D | 91.6 | Very high | 91.2 | Very high | 64 Ų | 64 | 48.7 Ų | 48.7 | 34% | 0.342 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.1 | -36.5 | 177 | -177.3 | 83.3 | 0 | 0 | 0 | 113.2 | L780 R794 M798 E836 M837 A838 G842 | L780-D840 HydrophobicContact CD2-CB 3.63Å; R794-D840 IonicContact CZ-OD1 3.02Å; R794-D840 IonicContact CZ-OD2 3.93Å; R794-D840 IonicContact NE-OD1 3.03Å; R794-D840 IonicContact NE-OD2 2.71Å; R794-D840 PolarHBondContact NE-OD2 3.03Å; R794-D840 IonicContact NH2-OD1 3.3Å; R794-D840 PolarHBondContact NH2-OD1 3.22Å; R794-D840 IonicContact NH2-OD2 3.47Å; R794-D840 PolarHBondContact NH2-OD2 3.37Å; M798-D840 WeakPolarHBondContact CE-OD2 3.41Å; E836-D840 WeakPolarHBondContact O-CB 3.26Å; E836-D840 PolarHBondContact O-N 3.49Å; E836-D840 VanDerWaalsContact O-N 3.08Å; M837-D840 PolarHBondContact O-N 2.86Å; A838-D840 VanDerWaalsContact C-N 3.28Å; A838-D840 PolarHBondContact O-N 3.02Å; D840-G842 VanDerWaalsContact C-N 3.28Å; D840-G842 PolarHBondContact O-N 3.32Å |
| 841 | I | 91.8 | Very high | 91.1 | Very high | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 173.1 | -69 | 160.6 | 0 | 0 | 0 | 110.7 | Y795 M798 F802 M837 A838 Q845 F846 L852 | Y795-I841 HydrophobicContact CD1-CG1 3.83Å; Y795-I841 HydrophobicContact CE1-CB 4.43Å; Y795-I841 HydrophobicContact CE1-CG1 4.06Å; M798-I841 HydrophobicContact CB-CD1 4.13Å; M798-I841 HydrophobicContact SD-CD1 3.82Å; M798-I841 HydrophobicContact SD-CG1 3.61Å; F802-I841 HydrophobicContact CE2-CD1 3.84Å; F802-I841 HydrophobicContact CZ-CD1 3.85Å; M837-I841 WeakPolarHBondContact O-CD1 2.86Å; M837-I841 VanDerWaalsContact O-CG1 3.31Å; M837-I841 WeakPolarHBondContact O-CG1 3.16Å; M837-I841 PolarHBondContact O-N 3.41Å; M837-I841 VanDerWaalsContact O-N 3.09Å; A838-I841 WeakPolarHBondContact O-CB 3.49Å; A838-I841 PolarHBondContact O-N 2.94Å; I841-Q845 HydrophobicContact CG2-CB 3.76Å; I841-Q845 HydrophobicContact CG2-CG 4.48Å; I841-Q845 WeakPolarHBondContact O-CB 3.39Å; I841-Q845 WeakPolarHBondContact O-CG 3.33Å; I841-F846 HydrophobicContact CG2-CE1 4.32Å; I841-F846 HydrophobicContact CG2-CZ 4.32Å; I841-L852 HydrophobicContact CD1-CD1 4.03Å; I841-L852 HydrophobicContact CD1-CD2 4.15Å; I841-L852 HydrophobicContact CD1-CG 4.47Å; I841-L852 HydrophobicContact CG1-CD2 4.45Å; I841-L852 HydrophobicContact CG2-CD2 3.67Å |
| 842 | G | 88.4 | Confident | 91.2 | Very high | 23 Ų | 23 | 56 Ų | 56 | 24% | 0.237 | 27% | 0.274 | C | S | . | . | trans | 72.9 | 157 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A838 L839 D840 E844 | A838-G842 PolarHBondContact O-N 3.46Å; L839-G842 PolarHBondContact O-N 3.34Å; D840-G842 VanDerWaalsContact C-N 3.28Å; D840-G842 PolarHBondContact O-N 3.32Å; G842-E844 PolarHBondContact O-N 3.13Å | ||
| 843 | R | 86.5 | Confident | 91.1 | Very high | 85 Ų | 85 | 50.3 Ų | 50.3 | 32% | 0.321 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.4 | -35.6 | -173.1 | 68.2 | -173.7 | -61.2 | -170.9 | -5.4 | 113.9 | Q845 F846 D888 | R843-Q845 PolarHBondContact O-N 3.28Å; R843-F846 PolarHBondContact O-N 2.95Å; R843-D888 IonicContact CZ-OD1 2.69Å; R843-D888 IonicContact CZ-OD2 3.34Å; R843-D888 IonicContact NE-OD2 2.59Å; R843-D888 PolarHBondContact NE-OD2 3.33Å; R843-D888 VanDerWaalsContact NH2-CG 3.26Å; R843-D888 IonicContact NH2-OD1 2.92Å; R843-D888 PolarHBondContact NH2-OD1 3.29Å; R843-D888 IonicContact NH2-OD2 3.42Å; R843-D888 PolarHBondContact NH2-OD2 2.88Å |
| 844 | E | 86.7 | Confident | 91.1 | Very high | 141 Ų | 141 | 53 Ų | 53 | 66% | 0.659 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.6 | -32.8 | -174.3 | -61.1 | 177.5 | -176.9 | 0 | 0 | 111.5 | G842 F846 L847 V848 | G842-E844 PolarHBondContact O-N 3.13Å; E844-F846 VanDerWaalsContact C-N 3.3Å; E844-F846 PolarHBondContact O-N 2.9Å; E844-L847 WeakPolarHBondContact O-CB 3.25Å; E844-L847 PolarHBondContact O-N 3.45Å; E844-V848 PolarHBondContact O-N 3.25Å |
| 845 | Q | 88 | Confident | 91.1 | Very high | 45 Ų | 45 | 54.1 Ų | 54.1 | 21% | 0.21 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.3 | -23.6 | -178.1 | -56.2 | -57.4 | -42.6 | 0 | 0 | 112.6 | Y795 I841 R843 L847 V848 Y849 | Y795-Q845 HydrophobicContact CE2-CB 4.41Å; Y795-Q845 HydrophobicContact CE2-CG 4.26Å; I841-Q845 HydrophobicContact CG2-CB 3.76Å; I841-Q845 HydrophobicContact CG2-CG 4.48Å; I841-Q845 WeakPolarHBondContact O-CB 3.39Å; I841-Q845 WeakPolarHBondContact O-CG 3.33Å; R843-Q845 PolarHBondContact O-N 3.28Å; Q845-L847 VanDerWaalsContact C-N 3.28Å; Q845-L847 PolarHBondContact O-N 2.91Å; Q845-V848 PolarHBondContact O-N 3.43Å; Q845-Y849 HydrophobicContact CB-CD2 4.35Å; Q845-Y849 WeakPolarHBondContact O-CD2 3.17Å; Q845-Y849 PolarHBondContact O-N 3.35Å |
| 846 | F | 89.3 | Confident | 91.2 | Very high | 14 Ų | 14 | 53.7 Ų | 53.7 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.1 | -31.2 | 173.4 | -71.8 | -54.5 | 0 | 0 | 0 | 112.4 | I841 R843 E844 L852 A853 Y856 Y881 T885 | I841-F846 HydrophobicContact CG2-CE1 4.32Å; I841-F846 HydrophobicContact CG2-CZ 4.32Å; R843-F846 PolarHBondContact O-N 2.95Å; E844-F846 VanDerWaalsContact C-N 3.3Å; E844-F846 PolarHBondContact O-N 2.9Å; F846-L852 HydrophobicContact CD1-CD2 4.26Å; F846-L852 HydrophobicContact CD1-CG 3.95Å; F846-L852 HydrophobicContact CE1-CD2 4.27Å; F846-L852 HydrophobicContact CE1-CG 3.8Å; F846-A853 HydrophobicContact CB-CB 3.86Å; F846-A853 VanDerWaalsContact CD1-CA 3.49Å; F846-A853 HydrophobicContact CD1-CB 3.88Å; F846-A853 HydrophobicContact CG-CB 4.23Å; F846-A853 WeakPolarHBondContact O-CB 3.26Å; F846-Y856 HydrophobicContact CE1-CD1 4.3Å; F846-Y856 HydrophobicContact CE1-CD2 4.35Å; F846-Y856 AromaticContact CE1-CG 3.86Å; F846-Y856 HydrophobicContact CE1-CG 3.86Å; F846-Y856 HydrophobicContact CE2-CD1 4.24Å; F846-Y856 HydrophobicContact CE2-CE1 4.36Å; F846-Y856 HydrophobicContact CE2-CG 4.32Å; F846-Y856 AromaticContact CZ-CD1 3.91Å; F846-Y856 HydrophobicContact CZ-CD1 3.91Å; F846-Y856 AromaticContact CZ-CD2 3.73Å; F846-Y856 HydrophobicContact CZ-CD2 3.73Å; F846-Y856 HydrophobicContact CZ-CE1 4.37Å; F846-Y856 HydrophobicContact CZ-CE2 4.2Å; F846-Y856 AromaticContact CZ-CG 3.56Å; F846-Y856 HydrophobicContact CZ-CG 3.56Å; F846-Y881 VanDerWaalsContact CE2-OH 3.25Å; F846-Y881 WeakPolarHBondContact CE2-OH 3.1Å; F846-T885 HydrophobicContact CD2-CG2 4.18Å; F846-T885 HydrophobicContact CE2-CG2 4.01Å |
| 847 | L | 83.1 | Confident | 91.2 | Very high | 125 Ų | 125 | 50 Ų | 50 | 65% | 0.654 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -70.3 | -37.4 | 173.6 | -61.8 | 172.6 | 0 | 0 | 0 | 111.2 | E844 Q845 | E844-L847 WeakPolarHBondContact O-CB 3.25Å; E844-L847 PolarHBondContact O-N 3.45Å; Q845-L847 VanDerWaalsContact C-N 3.28Å; Q845-L847 PolarHBondContact O-N 2.91Å |
| 848 | V | 86.6 | Confident | 91.2 | Very high | 89 Ų | 89 | 50.7 Ų | 50.7 | 54% | 0.539 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -73.8 | -35.2 | 178.8 | -178.4 | 0 | 0 | 0 | 0 | 112.2 | E844 Q845 P850 | E844-V848 PolarHBondContact O-N 3.25Å; Q845-V848 PolarHBondContact O-N 3.43Å; V848-P850 WeakPolarHBondContact O-CD 3.37Å |
| 849 | Y | 90.7 | Very high | 91.3 | Very high | 58 Ų | 58 | 50.7 Ų | 50.7 | 23% | 0.227 | 26% | 0.256 | C | S | . | . | trans | -120.2 | 82.9 | -175.4 | -58.2 | -71.4 | 0 | 0 | 0 | 112.7 | Y791 Y795 Q845 K851 L852 A853 | Y791-Y849 AromaticContact CD2-CD1 3.55Å; Y791-Y849 HydrophobicContact CD2-CD1 3.55Å; Y791-Y849 AromaticContact CD2-CE1 3.66Å; Y791-Y849 HydrophobicContact CD2-CE1 3.66Å; Y791-Y849 HydrophobicContact CD2-CG 4.02Å; Y791-Y849 AromaticContact CE2-CD1 3.89Å; Y791-Y849 HydrophobicContact CE2-CD1 3.89Å; Y791-Y849 HydrophobicContact CE2-CE1 4.42Å; Y791-Y849 HydrophobicContact CE2-CG 4.28Å; Y791-Y849 HydrophobicContact CG-CD1 4.4Å; Y791-Y849 HydrophobicContact CG-CE1 4.11Å; Y795-Y849 HydrophobicContact CD2-CD2 4.01Å; Y795-Y849 AromaticContact CD2-CE2 3.74Å; Y795-Y849 HydrophobicContact CD2-CE2 3.74Å; Y795-Y849 HydrophobicContact CE2-CD2 4.26Å; Y795-Y849 AromaticContact CE2-CE2 3.74Å; Y795-Y849 HydrophobicContact CE2-CE2 3.74Å; Q845-Y849 HydrophobicContact CB-CD2 4.35Å; Q845-Y849 WeakPolarHBondContact O-CD2 3.17Å; Q845-Y849 PolarHBondContact O-N 3.35Å; Y849-K851 VanDerWaalsContact C-N 3.28Å; Y849-K851 PolarHBondContact O-N 3.37Å; Y849-K851 VanDerWaalsContact O-N 3.11Å; Y849-L852 VanDerWaalsContact O-CB 3.31Å; Y849-L852 WeakPolarHBondContact O-CB 3.34Å; Y849-L852 PolarHBondContact O-N 3.05Å; Y849-A853 PolarHBondContact O-N 3.48Å | ||
| 850 | P | 87.9 | Confident | 91.3 | Very high | 69 Ų | 69 | 47 Ų | 47 | 45% | 0.448 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.1 | -32.5 | -176 | -28.2 | 34.3 | 0 | 0 | 0 | 115.3 | V848 L852 A853 K854 | V848-P850 WeakPolarHBondContact O-CD 3.37Å; P850-L852 VanDerWaalsContact C-N 3.31Å; P850-L852 PolarHBondContact O-N 3.42Å; P850-A853 PolarHBondContact O-N 2.71Å; P850-K854 WeakPolarHBondContact O-CB 3.46Å; P850-K854 PolarHBondContact O-N 2.83Å |
| 851 | K | 92.3 | Very high | 91.5 | Very high | 155 Ų | 155 | 46.8 Ų | 46.8 | 67% | 0.674 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -65.3 | -35.6 | 176.6 | -69.3 | 179.9 | -179.7 | 173.1 | 0 | 112.4 | M799 Y849 T855 | M799-K851 HydrophobicContact SD-CB 4.11Å; Y849-K851 VanDerWaalsContact C-N 3.28Å; Y849-K851 PolarHBondContact O-N 3.37Å; Y849-K851 VanDerWaalsContact O-N 3.11Å; K851-T855 PolarHBondContact O-N 2.71Å; K851-T855 PolarHBondContact O-OG1 3.24Å |
| 852 | L | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.6 | -46.7 | 176.6 | 178.2 | 64.4 | 0 | 0 | 0 | 110 | Y795 M799 F802 I841 F846 Y849 P850 T855 Y856 | Y795-L852 HydrophobicContact CG-CD2 4.29Å; M799-L852 HydrophobicContact CB-CD1 3.64Å; M799-L852 HydrophobicContact CG-CD1 4.11Å; F802-L852 HydrophobicContact CE2-CD1 4.35Å; I841-L852 HydrophobicContact CD1-CD1 4.03Å; I841-L852 HydrophobicContact CD1-CD2 4.15Å; I841-L852 HydrophobicContact CD1-CG 4.47Å; I841-L852 HydrophobicContact CG1-CD2 4.45Å; I841-L852 HydrophobicContact CG2-CD2 3.67Å; F846-L852 HydrophobicContact CD1-CD2 4.26Å; F846-L852 HydrophobicContact CD1-CG 3.95Å; F846-L852 HydrophobicContact CE1-CD2 4.27Å; F846-L852 HydrophobicContact CE1-CG 3.8Å; Y849-L852 VanDerWaalsContact O-CB 3.31Å; Y849-L852 WeakPolarHBondContact O-CB 3.34Å; Y849-L852 PolarHBondContact O-N 3.05Å; P850-L852 VanDerWaalsContact C-N 3.31Å; P850-L852 PolarHBondContact O-N 3.42Å; L852-T855 PolarHBondContact O-N 3.39Å; L852-Y856 WeakPolarHBondContact O-CB 3.35Å; L852-Y856 PolarHBondContact O-N 2.92Å |
| 853 | A | 92.8 | Very high | 91.6 | Very high | 5 Ų | 5 | 46 Ų | 46 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.2 | -48.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F846 Y849 P850 T855 Y856 H857 I897 | F846-A853 HydrophobicContact CB-CB 3.86Å; F846-A853 VanDerWaalsContact CD1-CA 3.49Å; F846-A853 HydrophobicContact CD1-CB 3.88Å; F846-A853 HydrophobicContact CG-CB 4.23Å; F846-A853 WeakPolarHBondContact O-CB 3.26Å; Y849-A853 PolarHBondContact O-N 3.48Å; P850-A853 PolarHBondContact O-N 2.71Å; A853-T855 VanDerWaalsContact C-N 3.33Å; A853-T855 PolarHBondContact O-N 2.84Å; A853-Y856 WeakPolarHBondContact O-CB 3.11Å; A853-Y856 PolarHBondContact O-N 3.22Å; A853-H857 PolarHBondContact O-CD2 3.39Å; A853-H857 PolarHBondContact O-N 3.3Å; A853-I897 HydrophobicContact CB-CD1 3.82Å |
| 854 | K | 94.8 | Very high | 91.8 | Very high | 69 Ų | 69 | 42 Ų | 42 | 30% | 0.3 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -52.4 | -51.5 | 174.6 | 178.1 | 175.4 | -178.8 | 168.3 | 0 | 111.4 | P850 Y856 H857 D858 D896 I897 | P850-K854 WeakPolarHBondContact O-CB 3.46Å; P850-K854 PolarHBondContact O-N 2.83Å; K854-Y856 VanDerWaalsContact C-N 3.33Å; K854-Y856 PolarHBondContact O-N 3.41Å; K854-H857 PolarHBondContact O-N 3.07Å; K854-D858 WeakPolarHBondContact CG-OD2 3.23Å; K854-D858 WeakPolarHBondContact O-CB 3.41Å; K854-D858 PolarHBondContact O-N 3.49Å; K854-D896 HydrophobicContact CD-CB 3.91Å; K854-D896 HydrophobicContact CG-CB 4.41Å; K854-D896 IonicContact NZ-OD2 2.67Å; K854-D896 PolarHBondContact NZ-OD2 3.47Å; K854-I897 HydrophobicContact CB-CG1 4.06Å |
| 855 | T | 95.5 | Very high | 91.8 | Very high | 23 Ų | 23 | 41 Ų | 41 | 14% | 0.141 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.7 | -35.7 | -177.4 | -48.8 | 0 | 0 | 0 | 0 | 112.7 | M799 F802 A803 K851 L852 A853 F859 | M799-T855 HydrophobicContact CG-CG2 4.07Å; M799-T855 WeakPolarHBondContact CG-OG1 3.39Å; M799-T855 WeakPolarHBondContact O-CG2 3.26Å; F802-T855 HydrophobicContact CB-CG2 3.92Å; A803-T855 HydrophobicContact CB-CG2 3.73Å; K851-T855 PolarHBondContact O-N 2.71Å; K851-T855 PolarHBondContact O-OG1 3.24Å; L852-T855 PolarHBondContact O-N 3.39Å; A853-T855 VanDerWaalsContact C-N 3.33Å; A853-T855 PolarHBondContact O-N 2.84Å; T855-F859 PolarHBondContact O-N 3.4Å; T855-F859 VanDerWaalsContact O-N 3.15Å |
| 856 | Y | 96.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.7 | -51.7 | 174.3 | 171.2 | -99 | 0 | 0 | 0 | 111.9 | F802 F834 A838 F846 L852 A853 K854 F859 L860 T885 | F802-Y856 HydrophobicContact CE2-CD2 4.2Å; F834-Y856 HydrophobicContact CE1-CE2 4.19Å; F834-Y856 AromaticContact CE2-CD2 3.87Å; F834-Y856 HydrophobicContact CE2-CD2 3.87Å; F834-Y856 HydrophobicContact CE2-CE2 4.19Å; F834-Y856 AromaticContact CZ-CD2 3.53Å; F834-Y856 HydrophobicContact CZ-CD2 3.53Å; F834-Y856 AromaticContact CZ-CE2 3.45Å; F834-Y856 HydrophobicContact CZ-CE2 3.45Å; F834-Y856 VanDerWaalsContact CZ-CE2 3.45Å; A838-Y856 HydrophobicContact CB-CD2 4.27Å; A838-Y856 HydrophobicContact CB-CE2 3.73Å; F846-Y856 HydrophobicContact CE1-CD1 4.3Å; F846-Y856 HydrophobicContact CE1-CD2 4.35Å; F846-Y856 AromaticContact CE1-CG 3.86Å; F846-Y856 HydrophobicContact CE1-CG 3.86Å; F846-Y856 HydrophobicContact CE2-CD1 4.24Å; F846-Y856 HydrophobicContact CE2-CE1 4.36Å; F846-Y856 HydrophobicContact CE2-CG 4.32Å; F846-Y856 AromaticContact CZ-CD1 3.91Å; F846-Y856 HydrophobicContact CZ-CD1 3.91Å; F846-Y856 AromaticContact CZ-CD2 3.73Å; F846-Y856 HydrophobicContact CZ-CD2 3.73Å; F846-Y856 HydrophobicContact CZ-CE1 4.37Å; F846-Y856 HydrophobicContact CZ-CE2 4.2Å; F846-Y856 AromaticContact CZ-CG 3.56Å; F846-Y856 HydrophobicContact CZ-CG 3.56Å; L852-Y856 WeakPolarHBondContact O-CB 3.35Å; L852-Y856 PolarHBondContact O-N 2.92Å; A853-Y856 WeakPolarHBondContact O-CB 3.11Å; A853-Y856 PolarHBondContact O-N 3.22Å; K854-Y856 VanDerWaalsContact C-N 3.33Å; K854-Y856 PolarHBondContact O-N 3.41Å; Y856-F859 PolarHBondContact O-N 3.12Å; Y856-L860 HydrophobicContact CD1-CD1 4.03Å; Y856-L860 HydrophobicContact CE1-CD1 3.31Å; Y856-L860 HydrophobicContact CE1-CG 4.13Å; Y856-L860 HydrophobicContact CE2-CD1 4.21Å; Y856-L860 HydrophobicContact CE2-CG 4.31Å; Y856-L860 VanDerWaalsContact CZ-CD1 3.43Å; Y856-L860 PolarHBondContact O-N 3.06Å; Y856-T885 HydrophobicContact CE1-CG2 4.23Å; Y856-T885 WeakPolarHBondContact CE1-OG1 3.37Å; Y856-T885 PolarHBondContact OH-OG1 3.5Å |
| 857 | H | 96 | Very high | 91.1 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.019 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.9 | -40.4 | 180 | -74.4 | -68.2 | 0 | 0 | 0 | 112.4 | A853 K854 F859 L860 E861 T885 I897 P900 | A853-H857 PolarHBondContact O-CD2 3.39Å; A853-H857 PolarHBondContact O-N 3.3Å; K854-H857 PolarHBondContact O-N 3.07Å; H857-F859 VanDerWaalsContact C-N 3.25Å; H857-F859 PolarHBondContact O-N 3.3Å; H857-L860 PolarHBondContact O-N 2.83Å; H857-E861 PolarHBondContact O-N 3.42Å; H857-T885 PolarHBondContact CE1-O 3.26Å; H857-I897 VanDerWaalsContact CD2-CG2 3.49Å; H857-I897 WeakPolarHBondContact CD2-CG2 3.42Å; H857-P900 HydrophobicContact CB-CB 4.18Å; H857-P900 HydrophobicContact CB-CG 4Å |
| 858 | D | 95.2 | Very high | 91.1 | Very high | 15 Ų | 15 | 40.1 Ų | 40.1 | 8% | 0.08 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.3 | -40.4 | 173.1 | -88.2 | -33.2 | 0 | 0 | 0 | 112.4 | R806 K854 A862 | R806-D858 VanDerWaalsContact CZ-CB 3.41Å; R806-D858 IonicContact CZ-OD1 2.81Å; R806-D858 IonicContact CZ-OD2 3.9Å; R806-D858 VanDerWaalsContact NH1-CB 3.33Å; R806-D858 IonicContact NH1-OD1 2.6Å; R806-D858 PolarHBondContact NH1-OD1 3.17Å; R806-D858 IonicContact NH1-OD2 3.88Å; R806-D858 PolarHBondContact NH1-OD2 2.77Å; R806-D858 VanDerWaalsContact NH2-CG 3.27Å; R806-D858 IonicContact NH2-OD1 3.77Å; R806-D858 PolarHBondContact NH2-OD1 2.76Å; R806-D858 IonicContact NH2-OD2 3.01Å; K854-D858 WeakPolarHBondContact CG-OD2 3.23Å; K854-D858 WeakPolarHBondContact O-CB 3.41Å; K854-D858 PolarHBondContact O-N 3.49Å; D858-A862 PolarHBondContact O-N 2.93Å |
| 859 | F | 95.7 | Very high | 91 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -76 | -41.6 | 176.5 | 175.8 | -118.6 | 0 | 0 | 0 | 112.1 | L805 R806 F809 L831 F834 T855 Y856 H857 E861 A862 L863 | L805-F859 HydrophobicContact CB-CD2 3.8Å; L805-F859 HydrophobicContact CB-CE1 4.18Å; L805-F859 HydrophobicContact CB-CE2 3.4Å; L805-F859 HydrophobicContact CB-CG 4.37Å; L805-F859 HydrophobicContact CB-CZ 3.59Å; L805-F859 HydrophobicContact CD1-CE1 3.82Å; L805-F859 HydrophobicContact CD1-CE2 4.45Å; L805-F859 HydrophobicContact CD1-CZ 3.76Å; L805-F859 HydrophobicContact CG-CE2 4.44Å; L805-F859 HydrophobicContact CG-CZ 4.19Å; R806-F859 HydrophobicContact CB-CB 4.25Å; R806-F859 HydrophobicContact CB-CD2 4.02Å; F809-F859 AromaticContact CD2-CE2 3.66Å; F809-F859 HydrophobicContact CD2-CE2 3.66Å; F809-F859 HydrophobicContact CD2-CZ 4.35Å; F809-F859 AromaticContact CE2-CE2 3.94Å; F809-F859 HydrophobicContact CE2-CE2 3.94Å; F809-F859 HydrophobicContact CE2-CZ 4.18Å; F809-F859 HydrophobicContact CG-CE2 4.21Å; L831-F859 HydrophobicContact CD2-CE1 4.24Å; L831-F859 HydrophobicContact CD2-CZ 3.71Å; F834-F859 HydrophobicContact CB-CE1 4.4Å; F834-F859 HydrophobicContact CD1-CD1 4.24Å; F834-F859 AromaticContact CD1-CE1 3.78Å; F834-F859 HydrophobicContact CD1-CE1 3.78Å; F834-F859 AromaticContact CD2-CD1 3.62Å; F834-F859 HydrophobicContact CD2-CD1 3.62Å; F834-F859 AromaticContact CD2-CE1 3.66Å; F834-F859 HydrophobicContact CD2-CE1 3.66Å; F834-F859 AromaticContact CE1-CD1 3.97Å; F834-F859 HydrophobicContact CE1-CD1 3.97Å; F834-F859 AromaticContact CE1-CE1 3.9Å; F834-F859 HydrophobicContact CE1-CE1 3.9Å; F834-F859 AromaticContact CE2-CD1 3.37Å; F834-F859 HydrophobicContact CE2-CD1 3.37Å; F834-F859 AromaticContact CE2-CE1 3.85Å; F834-F859 HydrophobicContact CE2-CE1 3.85Å; F834-F859 HydrophobicContact CE2-CG 4.49Å; F834-F859 HydrophobicContact CG-CD1 4.08Å; F834-F859 AromaticContact CG-CE1 3.66Å; F834-F859 HydrophobicContact CG-CE1 3.66Å; F834-F859 AromaticContact CZ-CD1 3.54Å; F834-F859 HydrophobicContact CZ-CD1 3.54Å; F834-F859 AromaticContact CZ-CE1 3.95Å; F834-F859 HydrophobicContact CZ-CE1 3.95Å; T855-F859 PolarHBondContact O-N 3.4Å; T855-F859 VanDerWaalsContact O-N 3.15Å; Y856-F859 PolarHBondContact O-N 3.12Å; H857-F859 VanDerWaalsContact C-N 3.25Å; H857-F859 PolarHBondContact O-N 3.3Å; F859-E861 VanDerWaalsContact C-N 3.27Å; F859-E861 PolarHBondContact O-N 3.28Å; F859-A862 PolarHBondContact O-N 2.84Å; F859-L863 HydrophobicContact CE1-CD2 4.38Å; F859-L863 HydrophobicContact CE2-CB 4.35Å; F859-L863 HydrophobicContact CZ-CB 4.25Å; F859-L863 HydrophobicContact CZ-CD1 4.3Å; F859-L863 HydrophobicContact CZ-CD2 4.46Å; F859-L863 WeakPolarHBondContact O-CB 3.39Å; F859-L863 PolarHBondContact O-N 2.72Å |
| 860 | L | 94.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.3 | -41.2 | 175.7 | -79.7 | -174.6 | 0 | 0 | 0 | 112.4 | F834 F835 Y856 H857 L863 V864 V882 L886 T904 | F834-L860 HydrophobicContact CE1-CD2 3.92Å; F834-L860 HydrophobicContact CZ-CD2 4.09Å; F834-L860 HydrophobicContact CZ-CG 4.4Å; F835-L860 HydrophobicContact CE1-CD2 4.29Å; F835-L860 HydrophobicContact CZ-CD2 4.35Å; Y856-L860 HydrophobicContact CD1-CD1 4.03Å; Y856-L860 HydrophobicContact CE1-CD1 3.31Å; Y856-L860 HydrophobicContact CE1-CG 4.13Å; Y856-L860 HydrophobicContact CE2-CD1 4.21Å; Y856-L860 HydrophobicContact CE2-CG 4.31Å; Y856-L860 VanDerWaalsContact CZ-CD1 3.43Å; Y856-L860 PolarHBondContact O-N 3.06Å; H857-L860 PolarHBondContact O-N 2.83Å; L860-L863 PolarHBondContact O-N 2.95Å; L860-V864 WeakPolarHBondContact O-CB 3.38Å; L860-V864 WeakPolarHBondContact O-CG2 3.4Å; L860-V864 PolarHBondContact O-N 3.1Å; L860-V882 HydrophobicContact CD1-CG1 4.25Å; L860-L886 HydrophobicContact CD1-CD2 4.4Å; L860-T904 HydrophobicContact CB-CG2 4.18Å |
| 861 | E | 94.6 | Very high | 90.5 | Very high | 59 Ų | 59 | 35.8 Ų | 35.8 | 28% | 0.276 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.1 | -47.6 | 176.4 | -178.2 | -170.5 | -169 | 0 | 0 | 111.2 | H857 F859 V864 Q865 P900 A903 T904 K907 | H857-E861 PolarHBondContact O-N 3.42Å; F859-E861 VanDerWaalsContact C-N 3.27Å; F859-E861 PolarHBondContact O-N 3.28Å; E861-V864 PolarHBondContact O-N 2.79Å; E861-Q865 PolarHBondContact O-N 2.78Å; E861-Q865 VanDerWaalsContact O-N 3.15Å; E861-P900 HydrophobicContact CB-CB 3.99Å; E861-P900 WeakPolarHBondContact OE2-CB 3.29Å; E861-A903 HydrophobicContact CG-CB 3.9Å; E861-A903 WeakPolarHBondContact OE1-CB 3.45Å; E861-T904 VanDerWaalsContact CA-OG1 3.29Å; E861-T904 WeakPolarHBondContact CA-OG1 3.42Å; E861-T904 PolarHBondContact N-OG1 3.26Å; E861-K907 PolarHBondContact O-NZ 3.14Å |
| 862 | A | 91.8 | Very high | 90 | Very high | 10 Ų | 10 | 28.4 Ų | 28.4 | 8% | 0.083 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.2 | -42.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | R806 F809 T810 D858 F859 Q865 | R806-A862 HydrophobicContact CG-CB 4.27Å; F809-A862 HydrophobicContact CB-CB 4.06Å; T810-A862 HydrophobicContact CG2-CB 3.81Å; D858-A862 PolarHBondContact O-N 2.93Å; F859-A862 PolarHBondContact O-N 2.84Å; A862-Q865 WeakPolarHBondContact O-CB 3.38Å; A862-Q865 PolarHBondContact O-N 3.29Å |
| 863 | L | 91.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61 | -47.4 | 176.7 | -179.2 | 64.8 | 0 | 0 | 0 | 110.9 | F809 L831 F835 F859 L860 Q865 D866 Y867 V871 | F809-L863 HydrophobicContact CD1-CD1 4.42Å; F809-L863 HydrophobicContact CE1-CD1 3.68Å; F809-L863 HydrophobicContact CZ-CD1 3.75Å; L831-L863 HydrophobicContact CD1-CD1 3.99Å; L831-L863 HydrophobicContact CD2-CD1 3.54Å; L831-L863 HydrophobicContact CD2-CD2 4.23Å; L831-L863 HydrophobicContact CG-CD1 4.44Å; F835-L863 HydrophobicContact CE2-CD2 4.28Å; F835-L863 HydrophobicContact CZ-CD2 4.07Å; F859-L863 HydrophobicContact CE1-CD2 4.38Å; F859-L863 HydrophobicContact CE2-CB 4.35Å; F859-L863 HydrophobicContact CZ-CB 4.25Å; F859-L863 HydrophobicContact CZ-CD1 4.3Å; F859-L863 HydrophobicContact CZ-CD2 4.46Å; F859-L863 WeakPolarHBondContact O-CB 3.39Å; F859-L863 PolarHBondContact O-N 2.72Å; L860-L863 PolarHBondContact O-N 2.95Å; L863-Q865 PolarHBondContact O-N 3.17Å; L863-D866 PolarHBondContact O-N 2.81Å; L863-Y867 HydrophobicContact CD1-CG 4.33Å; L863-Y867 CarbonylContact O-C 3.56Å; L863-Y867 VanDerWaalsContact O-CA 3.28Å; L863-Y867 WeakPolarHBondContact O-CA 3.27Å; L863-Y867 WeakPolarHBondContact O-CB 3.38Å; L863-Y867 PolarHBondContact O-N 3.46Å; L863-V871 HydrophobicContact CD2-CG2 3.65Å; L863-V871 HydrophobicContact CG-CG2 3.98Å |
| 864 | V | 90.5 | Very high | 89.1 | Confident | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.2 | -13.1 | -177.9 | 166.1 | 0 | 0 | 0 | 0 | 112.5 | L860 E861 V868 V871 T904 K907 V908 | L860-V864 WeakPolarHBondContact O-CB 3.38Å; L860-V864 WeakPolarHBondContact O-CG2 3.4Å; L860-V864 PolarHBondContact O-N 3.1Å; E861-V864 PolarHBondContact O-N 2.79Å; V864-V868 HydrophobicContact CG1-CB 4.19Å; V864-V868 HydrophobicContact CG1-CG2 4.01Å; V864-V871 HydrophobicContact CG2-CB 4.18Å; V864-V871 HydrophobicContact CG2-CG1 4.3Å; V864-V871 HydrophobicContact CG2-CG2 3.76Å; V864-T904 HydrophobicContact CB-CG2 4.33Å; V864-T904 HydrophobicContact CG2-CG2 3.88Å; V864-K907 HydrophobicContact CG1-CB 3.53Å; V864-K907 HydrophobicContact CG1-CG 4.08Å; V864-K907 VanDerWaalsContact O-CE 3.27Å; V864-K907 WeakPolarHBondContact O-CE 3.34Å; V864-V908 HydrophobicContact CG1-CG2 4.14Å; V864-V908 HydrophobicContact CG2-CG2 4.02Å |
| 865 | Q | 86.5 | Confident | 88.6 | Confident | 120 Ų | 120 | 35.7 Ų | 35.7 | 56% | 0.561 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -60.2 | -50.5 | 172.9 | -171.3 | 65.8 | 20 | 0 | 0 | 112.8 | E861 A862 L863 | E861-Q865 PolarHBondContact O-N 2.78Å; E861-Q865 VanDerWaalsContact O-N 3.15Å; A862-Q865 WeakPolarHBondContact O-CB 3.38Å; A862-Q865 PolarHBondContact O-N 3.29Å; L863-Q865 PolarHBondContact O-N 3.17Å |
| 866 | D | 79 | Confident | 87.8 | Confident | 95 Ų | 95 | 36.8 Ų | 36.8 | 51% | 0.508 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -113.7 | -20.2 | -175.7 | -61.4 | -37.8 | 0 | 0 | 0 | 113 | L863 | L863-D866 PolarHBondContact O-N 2.81Å |
| 867 | Y | 83.1 | Confident | 87.1 | Confident | 44 Ų | 44 | 42 Ų | 42 | 17% | 0.173 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -118.4 | 27.7 | -171.2 | -86.5 | -108.5 | 0 | 0 | 0 | 113.4 | F809 F816 L831 L863 V869 F870 V871 | F809-Y867 AromaticContact CE1-CD2 3.79Å; F809-Y867 HydrophobicContact CE1-CD2 3.79Å; F809-Y867 HydrophobicContact CE1-CE2 4.32Å; F809-Y867 HydrophobicContact CE1-CG 4.15Å; F816-Y867 HydrophobicContact CB-CE2 3.41Å; F816-Y867 VanDerWaalsContact CB-CE2 3.41Å; F816-Y867 VanDerWaalsContact CB-CZ 3.44Å; F816-Y867 WeakPolarHBondContact CB-OH 3.08Å; F816-Y867 HydrophobicContact CD1-CE2 4.48Å; F816-Y867 AromaticContact CD2-CE2 3.87Å; F816-Y867 HydrophobicContact CD2-CE2 3.87Å; F816-Y867 AromaticContact CG-CE2 3.72Å; F816-Y867 HydrophobicContact CG-CE2 3.72Å; F816-Y867 PolarHBondContact O-OH 3.15Å; L831-Y867 HydrophobicContact CD1-CD1 4.4Å; L863-Y867 HydrophobicContact CD1-CG 4.33Å; L863-Y867 CarbonylContact O-C 3.56Å; L863-Y867 VanDerWaalsContact O-CA 3.28Å; L863-Y867 WeakPolarHBondContact O-CA 3.27Å; L863-Y867 WeakPolarHBondContact O-CB 3.38Å; L863-Y867 PolarHBondContact O-N 3.46Å; Y867-V869 PolarHBondContact O-N 3.06Å; Y867-V869 VanDerWaalsContact O-N 3.11Å; Y867-F870 HydrophobicContact CD1-CB 4.09Å; Y867-F870 VanDerWaalsContact O-CB 3.3Å; Y867-F870 WeakPolarHBondContact O-CB 3.42Å; Y867-F870 PolarHBondContact O-N 3.34Å; Y867-V871 PolarHBondContact O-N 3.16Å |
| 868 | V | 84.1 | Confident | 86.6 | Confident | 26 Ų | 26 | 42.8 Ų | 42.8 | 16% | 0.158 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -53.8 | -35.8 | 179.4 | 67.6 | 0 | 0 | 0 | 0 | 113.2 | V864 F870 V871 T872 H911 | V864-V868 HydrophobicContact CG1-CB 4.19Å; V864-V868 HydrophobicContact CG1-CG2 4.01Å; V868-F870 VanDerWaalsContact C-N 3.27Å; V868-F870 PolarHBondContact O-N 3.13Å; V868-V871 PolarHBondContact O-N 3.27Å; V868-T872 HydrophobicContact CG2-CG2 4.34Å; V868-T872 WeakPolarHBondContact O-CG2 3.36Å; V868-T872 PolarHBondContact O-N 2.6Å; V868-T872 PolarHBondContact O-OG1 3.16Å; V868-H911 HydrophobicContact CG1-CB 4.21Å; V868-H911 HydrophobicContact CG2-CB 3.59Å |
| 869 | V | 83.4 | Confident | 86.1 | Confident | 68 Ų | 68 | 42.1 Ų | 42.1 | 41% | 0.412 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.8 | -33.9 | 178.3 | -177.7 | 0 | 0 | 0 | 0 | 111.9 | Y867 T872 N873 | Y867-V869 PolarHBondContact O-N 3.06Å; Y867-V869 VanDerWaalsContact O-N 3.11Å; V869-T872 PolarHBondContact O-OG1 3.23Å; V869-N873 WeakPolarHBondContact CG1-ND2 3.4Å; V869-N873 WeakPolarHBondContact O-CB 3.38Å; V869-N873 PolarHBondContact O-N 2.79Å; V869-N873 PolarHBondContact O-ND2 3.14Å |
| 870 | F | 84.1 | Confident | 85.6 | Confident | 55 Ų | 55 | 43 Ų | 43 | 24% | 0.241 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.6 | -47.6 | 176.4 | -177.7 | -87.4 | 0 | 0 | 0 | 110.3 | L831 F835 Y867 V868 T872 N873 L874 | L831-F870 HydrophobicContact CB-CE1 3.86Å; L831-F870 HydrophobicContact CB-CZ 3.7Å; L831-F870 HydrophobicContact CD1-CD1 4.08Å; L831-F870 HydrophobicContact CD1-CD2 4.28Å; L831-F870 HydrophobicContact CD1-CE1 3.93Å; L831-F870 HydrophobicContact CD1-CE2 4.11Å; L831-F870 HydrophobicContact CD1-CG 4.26Å; L831-F870 HydrophobicContact CD1-CZ 3.93Å; L831-F870 HydrophobicContact CG-CE1 4.48Å; L831-F870 HydrophobicContact CG-CZ 4.48Å; F835-F870 HydrophobicContact CD2-CE1 4.27Å; F835-F870 HydrophobicContact CE2-CD1 4.37Å; F835-F870 AromaticContact CE2-CE1 3.77Å; F835-F870 HydrophobicContact CE2-CE1 3.77Å; Y867-F870 HydrophobicContact CD1-CB 4.09Å; Y867-F870 VanDerWaalsContact O-CB 3.3Å; Y867-F870 WeakPolarHBondContact O-CB 3.42Å; Y867-F870 PolarHBondContact O-N 3.34Å; V868-F870 VanDerWaalsContact C-N 3.27Å; V868-F870 PolarHBondContact O-N 3.13Å; F870-T872 PolarHBondContact O-N 2.76Å; F870-N873 PolarHBondContact O-N 3.38Å; F870-L874 HydrophobicContact CD1-CD2 4.21Å; F870-L874 HydrophobicContact CE1-CD2 3.75Å; F870-L874 HydrophobicContact CZ-CD2 4.43Å; F870-L874 PolarHBondContact O-N 2.9Å |
| 871 | V | 84.3 | Confident | 85.3 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.9 | -41.8 | -178.4 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | L863 V864 Y867 V868 N873 L874 V882 V908 | L863-V871 HydrophobicContact CD2-CG2 3.65Å; L863-V871 HydrophobicContact CG-CG2 3.98Å; V864-V871 HydrophobicContact CG2-CB 4.18Å; V864-V871 HydrophobicContact CG2-CG1 4.3Å; V864-V871 HydrophobicContact CG2-CG2 3.76Å; Y867-V871 PolarHBondContact O-N 3.16Å; V868-V871 PolarHBondContact O-N 3.27Å; V871-N873 VanDerWaalsContact C-N 3.27Å; V871-N873 PolarHBondContact O-N 2.9Å; V871-L874 HydrophobicContact CB-CD1 4.49Å; V871-L874 HydrophobicContact CG1-CD1 4.15Å; V871-L874 WeakPolarHBondContact O-CB 3.38Å; V871-L874 WeakPolarHBondContact O-CD1 3.48Å; V871-L874 VanDerWaalsContact O-CG 3.28Å; V871-L874 WeakPolarHBondContact O-CG 2.99Å; V871-L874 PolarHBondContact O-N 3.03Å; V871-V882 HydrophobicContact CG1-CG1 4.49Å; V871-V908 HydrophobicContact CG1-CG2 4.42Å |
| 872 | T | 82 | Confident | 85.1 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -72.8 | -18.2 | 179.3 | 56.8 | 0 | 0 | 0 | 0 | 113.9 | V868 V869 F870 V908 H911 M912 S936 | V868-T872 HydrophobicContact CG2-CG2 4.34Å; V868-T872 WeakPolarHBondContact O-CG2 3.36Å; V868-T872 PolarHBondContact O-N 2.6Å; V868-T872 PolarHBondContact O-OG1 3.16Å; V869-T872 PolarHBondContact O-OG1 3.23Å; F870-T872 PolarHBondContact O-N 2.76Å; T872-V908 HydrophobicContact CG2-CG1 4.37Å; T872-H911 PolarHBondContact OG1-CD2 3.08Å; T872-M912 HydrophobicContact CG2-CE 4.33Å; T872-M912 HydrophobicContact CG2-CG 4.35Å; T872-S936 WeakPolarHBondContact O-CB 3.19Å; T872-S936 PolarHBondContact O-N 3.22Å |
| 873 | N | 83.1 | Confident | 85 | Confident | 52 Ų | 52 | 41 Ų | 41 | 28% | 0.278 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 4.9 | 175.4 | -74.8 | -51.6 | 0 | 0 | 0 | 114.4 | V869 F870 V871 D934 N935 | V869-N873 WeakPolarHBondContact CG1-ND2 3.4Å; V869-N873 WeakPolarHBondContact O-CB 3.38Å; V869-N873 PolarHBondContact O-N 2.79Å; V869-N873 PolarHBondContact O-ND2 3.14Å; F870-N873 PolarHBondContact O-N 3.38Å; V871-N873 VanDerWaalsContact C-N 3.27Å; V871-N873 PolarHBondContact O-N 2.9Å; N873-D934 PolarHBondContact OD1-OD1 3.38Å; N873-N935 PolarHBondContact O-ND2 3.05Å; N873-N935 VanDerWaalsContact O-ND2 3.1Å |
| 874 | L | 85 | Confident | 84.8 | Confident | 19 Ų | 19 | 43.1 Ų | 43.1 | 10% | 0.099 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -53.7 | 155.8 | 172.3 | -69.9 | 171.5 | 0 | 0 | 0 | 111.3 | F835 F870 V871 V878 L879 V882 N935 | F835-L874 HydrophobicContact CD1-CD1 4.26Å; F835-L874 HydrophobicContact CD2-CD1 4.39Å; F835-L874 HydrophobicContact CD2-CD2 3.88Å; F835-L874 HydrophobicContact CE1-CD1 3.71Å; F835-L874 HydrophobicContact CE2-CD1 3.9Å; F835-L874 HydrophobicContact CE2-CD2 3.84Å; F835-L874 HydrophobicContact CE2-CG 4.49Å; F835-L874 HydrophobicContact CG-CD2 4.48Å; F835-L874 HydrophobicContact CZ-CD1 3.52Å; F835-L874 HydrophobicContact CZ-CD2 4.34Å; F870-L874 HydrophobicContact CD1-CD2 4.21Å; F870-L874 HydrophobicContact CE1-CD2 3.75Å; F870-L874 HydrophobicContact CZ-CD2 4.43Å; F870-L874 PolarHBondContact O-N 2.9Å; V871-L874 HydrophobicContact CB-CD1 4.49Å; V871-L874 HydrophobicContact CG1-CD1 4.15Å; V871-L874 WeakPolarHBondContact O-CB 3.38Å; V871-L874 WeakPolarHBondContact O-CD1 3.48Å; V871-L874 VanDerWaalsContact O-CG 3.28Å; V871-L874 WeakPolarHBondContact O-CG 2.99Å; V871-L874 PolarHBondContact O-N 3.03Å; L874-V878 HydrophobicContact CB-CB 4.31Å; L874-V878 HydrophobicContact CB-CG1 4.46Å; L874-V878 HydrophobicContact CD1-CG1 4.08Å; L874-L879 HydrophobicContact CB-CB 4.4Å; L874-V882 HydrophobicContact CD1-CG2 4.31Å; L874-N935 WeakPolarHBondContact O-CB 3.44Å; L874-N935 PolarHBondContact O-ND2 3.4Å |
| 875 | K | 83.4 | Confident | 84.9 | Confident | 156 Ų | 156 | 43.1 Ų | 43.1 | 68% | 0.678 | 22% | 0.218 | S | C | * | . | trans | -53.1 | 143.6 | 172.7 | -68.2 | 179.8 | -179 | 175.7 | 0 | 109.4 | D877 V878 L879 | K875-D877 VanDerWaalsContact C-N 3.26Å; K875-D877 PolarHBondContact O-N 3.17Å; K875-D877 VanDerWaalsContact O-N 3.12Å; K875-V878 HydrophobicContact CB-CG2 4.12Å; K875-V878 PolarHBondContact O-N 3.05Å; K875-L879 PolarHBondContact O-N 2.91Å | ||
| 876 | P | 79.2 | Confident | 85.1 | Confident | 47 Ų | 47 | 37.5 Ų | 37.5 | 31% | 0.305 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -50.1 | -43.1 | -174.6 | -30 | 35.6 | 0 | 0 | 0 | 114.2 | V878 L879 V880 V957 | P876-V878 VanDerWaalsContact C-N 3.35Å; P876-V878 PolarHBondContact O-N 3.49Å; P876-L879 PolarHBondContact O-N 2.86Å; P876-V880 VanDerWaalsContact O-CG2 3.31Å; P876-V880 WeakPolarHBondContact O-CG2 3.27Å; P876-V880 PolarHBondContact O-N 3.43Å; P876-V957 HydrophobicContact CB-CG1 4Å |
| 877 | D | 81.3 | Confident | 85.5 | Confident | 110 Ų | 110 | 33.8 Ų | 33.8 | 59% | 0.588 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -64.1 | -38.9 | -179.8 | -55.5 | -40.5 | 0 | 0 | 0 | 112.7 | K875 Y881 | K875-D877 VanDerWaalsContact C-N 3.26Å; K875-D877 PolarHBondContact O-N 3.17Å; K875-D877 VanDerWaalsContact O-N 3.12Å; D877-Y881 WeakPolarHBondContact O-CB 3.46Å; D877-Y881 PolarHBondContact O-N 2.99Å |
| 878 | V | 86.2 | Confident | 85.7 | Confident | 19 Ų | 19 | 33.4 Ų | 33.4 | 12% | 0.115 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -72.1 | -40.1 | 178.8 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | F835 L839 L874 K875 P876 Y881 V882 | F835-V878 HydrophobicContact CB-CG1 4Å; F835-V878 HydrophobicContact CD1-CG1 3.67Å; F835-V878 HydrophobicContact CE1-CG1 4.42Å; F835-V878 HydrophobicContact CG-CG1 3.91Å; L839-V878 HydrophobicContact CD1-CG2 4.06Å; L874-V878 HydrophobicContact CB-CB 4.31Å; L874-V878 HydrophobicContact CB-CG1 4.46Å; L874-V878 HydrophobicContact CD1-CG1 4.08Å; K875-V878 HydrophobicContact CB-CG2 4.12Å; K875-V878 PolarHBondContact O-N 3.05Å; P876-V878 VanDerWaalsContact C-N 3.35Å; P876-V878 PolarHBondContact O-N 3.49Å; V878-Y881 WeakPolarHBondContact O-CB 3.26Å; V878-Y881 PolarHBondContact O-N 3.16Å; V878-V882 WeakPolarHBondContact O-CG2 3.43Å; V878-V882 PolarHBondContact O-N 3.13Å |
| 879 | L | 85.6 | Confident | 85.8 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.4 | -42.5 | 175.6 | -179.6 | 59.1 | 0 | 0 | 0 | 111.4 | L874 K875 P876 Y881 V882 L883 M912 V939 | L874-L879 HydrophobicContact CB-CB 4.4Å; K875-L879 PolarHBondContact O-N 2.91Å; P876-L879 PolarHBondContact O-N 2.86Å; L879-Y881 VanDerWaalsContact C-N 3.34Å; L879-Y881 PolarHBondContact O-N 3.15Å; L879-V882 PolarHBondContact O-N 3.25Å; L879-L883 HydrophobicContact CD1-CG 4.44Å; L879-L883 HydrophobicContact CG-CD1 4.36Å; L879-L883 WeakPolarHBondContact O-CG 3.2Å; L879-L883 PolarHBondContact O-N 3.11Å; L879-M912 HydrophobicContact CD1-CE 4.26Å; L879-M912 HydrophobicContact CD2-CE 4.25Å; L879-V939 HydrophobicContact CD2-CG2 4.12Å |
| 880 | V | 84.7 | Confident | 85.9 | Confident | 17 Ų | 17 | 29.3 Ų | 29.3 | 10% | 0.103 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.3 | -45.1 | 173.9 | 169 | 0 | 0 | 0 | 0 | 110.8 | P876 V882 L883 Q884 V957 V960 V961 I964 | P876-V880 VanDerWaalsContact O-CG2 3.31Å; P876-V880 WeakPolarHBondContact O-CG2 3.27Å; P876-V880 PolarHBondContact O-N 3.43Å; V880-V882 PolarHBondContact O-N 3.48Å; V880-L883 PolarHBondContact O-N 3.5Å; V880-Q884 HydrophobicContact CG1-CG 4.41Å; V880-Q884 VanDerWaalsContact O-CG 3.3Å; V880-Q884 WeakPolarHBondContact O-CG 3.32Å; V880-Q884 PolarHBondContact O-N 2.78Å; V880-V957 HydrophobicContact CG2-CG1 4.41Å; V880-V960 HydrophobicContact CG1-CG1 4.32Å; V880-V961 HydrophobicContact CG2-CB 4.36Å; V880-V961 HydrophobicContact CG2-CG1 4.11Å; V880-V961 HydrophobicContact CG2-CG2 3.54Å; V880-I964 HydrophobicContact CG1-CD1 3.92Å |
| 881 | Y | 88.8 | Confident | 85.9 | Confident | 20 Ų | 20 | 30.7 Ų | 30.7 | 8% | 0.078 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.1 | -48 | 175.5 | 173.6 | -90.8 | 0 | 0 | 0 | 111.9 | A838 L839 F846 D877 V878 L879 L883 Q884 T885 | A838-Y881 HydrophobicContact CB-CE1 4.02Å; A838-Y881 PolarHBondContact O-OH 3.02Å; L839-Y881 HydrophobicContact CD2-CD1 3.89Å; L839-Y881 HydrophobicContact CD2-CD2 3.74Å; L839-Y881 HydrophobicContact CD2-CE1 4.4Å; L839-Y881 HydrophobicContact CD2-CE2 4.24Å; L839-Y881 HydrophobicContact CD2-CG 3.53Å; F846-Y881 VanDerWaalsContact CE2-OH 3.25Å; F846-Y881 WeakPolarHBondContact CE2-OH 3.1Å; D877-Y881 WeakPolarHBondContact O-CB 3.46Å; D877-Y881 PolarHBondContact O-N 2.99Å; V878-Y881 WeakPolarHBondContact O-CB 3.26Å; V878-Y881 PolarHBondContact O-N 3.16Å; L879-Y881 VanDerWaalsContact C-N 3.34Å; L879-Y881 PolarHBondContact O-N 3.15Å; Y881-L883 PolarHBondContact O-N 3.33Å; Y881-Q884 PolarHBondContact O-N 3.09Å; Y881-T885 HydrophobicContact CD1-CG2 4.25Å; Y881-T885 HydrophobicContact CE1-CG2 3.76Å; Y881-T885 HydrophobicContact CE2-CG2 4.16Å; Y881-T885 WeakPolarHBondContact O-CG2 3.34Å; Y881-T885 PolarHBondContact O-N 2.82Å; Y881-T885 PolarHBondContact O-OG1 2.82Å |
| 882 | V | 90.1 | Very high | 85.7 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.6 | -47.6 | 176.8 | 172 | 0 | 0 | 0 | 0 | 110.7 | F835 L860 V871 L874 V878 L879 V880 Q884 T885 L886 | F835-V882 HydrophobicContact CD1-CG2 4.18Å; F835-V882 HydrophobicContact CE1-CG2 3.6Å; L860-V882 HydrophobicContact CD1-CG1 4.25Å; V871-V882 HydrophobicContact CG1-CG1 4.49Å; L874-V882 HydrophobicContact CD1-CG2 4.31Å; V878-V882 WeakPolarHBondContact O-CG2 3.43Å; V878-V882 PolarHBondContact O-N 3.13Å; L879-V882 PolarHBondContact O-N 3.25Å; V880-V882 PolarHBondContact O-N 3.48Å; V882-Q884 VanDerWaalsContact C-N 3.31Å; V882-Q884 PolarHBondContact O-N 3.01Å; V882-T885 PolarHBondContact O-N 3.4Å; V882-T885 PolarHBondContact O-OG1 3.47Å; V882-L886 HydrophobicContact CG1-CD1 4.08Å; V882-L886 HydrophobicContact CG1-CG 4.44Å; V882-L886 VanDerWaalsContact O-CG 3.32Å; V882-L886 WeakPolarHBondContact O-CG 3.47Å; V882-L886 PolarHBondContact O-N 3.25Å |
| 883 | L | 88.3 | Confident | 85.5 | Confident | 8 Ų | 8 | 36.2 Ų | 36.2 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.3 | -37.2 | 178.2 | -68.5 | 173.9 | 0 | 0 | 0 | 112.5 | L879 V880 Y881 L886 L887 V961 I964 | L879-L883 HydrophobicContact CD1-CG 4.44Å; L879-L883 HydrophobicContact CG-CD1 4.36Å; L879-L883 WeakPolarHBondContact O-CG 3.2Å; L879-L883 PolarHBondContact O-N 3.11Å; V880-L883 PolarHBondContact O-N 3.5Å; Y881-L883 PolarHBondContact O-N 3.33Å; L883-L886 HydrophobicContact CD2-CD1 4.5Å; L883-L886 PolarHBondContact O-N 3.45Å; L883-L887 PolarHBondContact O-N 2.65Å; L883-V961 HydrophobicContact CD1-CG1 3.85Å; L883-I964 HydrophobicContact CB-CB 4.36Å; L883-I964 HydrophobicContact CB-CD1 4.33Å; L883-I964 HydrophobicContact CB-CG2 3.73Å; L883-I964 WeakPolarHBondContact O-CG2 3.4Å |
| 884 | Q | 89.1 | Confident | 85.3 | Confident | 44 Ų | 44 | 36.3 Ų | 36.3 | 21% | 0.206 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.4 | -45.1 | 175.4 | -73.6 | 176.6 | -5.8 | 0 | 0 | 111.9 | V880 Y881 V882 L886 L887 D888 I964 | V880-Q884 HydrophobicContact CG1-CG 4.41Å; V880-Q884 VanDerWaalsContact O-CG 3.3Å; V880-Q884 WeakPolarHBondContact O-CG 3.32Å; V880-Q884 PolarHBondContact O-N 2.78Å; Y881-Q884 PolarHBondContact O-N 3.09Å; V882-Q884 VanDerWaalsContact C-N 3.31Å; V882-Q884 PolarHBondContact O-N 3.01Å; Q884-L886 VanDerWaalsContact C-N 3.27Å; Q884-L886 PolarHBondContact O-N 3.38Å; Q884-L887 WeakPolarHBondContact O-CB 3.49Å; Q884-L887 PolarHBondContact O-N 3.49Å; Q884-L887 VanDerWaalsContact O-N 3.17Å; Q884-D888 VanDerWaalsContact O-CG 3.31Å; Q884-D888 PolarHBondContact O-N 2.93Å; Q884-I964 HydrophobicContact CG-CD1 3.62Å; Q884-I964 HydrophobicContact CG-CG1 4.2Å |
| 885 | T | 91.4 | Very high | 85.3 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.5 | -34.1 | 175.4 | 60.4 | 0 | 0 | 0 | 0 | 111.9 | F846 Y856 H857 Y881 V882 D888 G889 | F846-T885 HydrophobicContact CD2-CG2 4.18Å; F846-T885 HydrophobicContact CE2-CG2 4.01Å; Y856-T885 HydrophobicContact CE1-CG2 4.23Å; Y856-T885 WeakPolarHBondContact CE1-OG1 3.37Å; Y856-T885 PolarHBondContact OH-OG1 3.5Å; H857-T885 PolarHBondContact CE1-O 3.26Å; Y881-T885 HydrophobicContact CD1-CG2 4.25Å; Y881-T885 HydrophobicContact CE1-CG2 3.76Å; Y881-T885 HydrophobicContact CE2-CG2 4.16Å; Y881-T885 WeakPolarHBondContact O-CG2 3.34Å; Y881-T885 PolarHBondContact O-N 2.82Å; Y881-T885 PolarHBondContact O-OG1 2.82Å; V882-T885 PolarHBondContact O-N 3.4Å; V882-T885 PolarHBondContact O-OG1 3.47Å; T885-D888 PolarHBondContact O-N 3.01Å; T885-G889 PolarHBondContact O-N 3.28Å |
| 886 | L | 91.3 | Very high | 85.4 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.2 | -39 | 173.2 | -70.8 | 173.7 | 0 | 0 | 0 | 112.2 | L860 V882 L883 Q884 G889 V890 A901 T904 V905 | L860-L886 HydrophobicContact CD1-CD2 4.4Å; V882-L886 HydrophobicContact CG1-CD1 4.08Å; V882-L886 HydrophobicContact CG1-CG 4.44Å; V882-L886 VanDerWaalsContact O-CG 3.32Å; V882-L886 WeakPolarHBondContact O-CG 3.47Å; V882-L886 PolarHBondContact O-N 3.25Å; L883-L886 HydrophobicContact CD2-CD1 4.5Å; L883-L886 PolarHBondContact O-N 3.45Å; Q884-L886 VanDerWaalsContact C-N 3.27Å; Q884-L886 PolarHBondContact O-N 3.38Å; L886-G889 PolarHBondContact O-N 3.36Å; L886-V890 WeakPolarHBondContact O-CB 3.47Å; L886-V890 VanDerWaalsContact O-CG2 3.23Å; L886-V890 WeakPolarHBondContact O-CG2 3.32Å; L886-V890 PolarHBondContact O-N 2.8Å; L886-A901 HydrophobicContact CD2-CB 4.24Å; L886-T904 HydrophobicContact CD1-CG2 3.98Å; L886-T904 HydrophobicContact CD2-CG2 3.82Å; L886-V905 HydrophobicContact CB-CG2 3.92Å; L886-V905 HydrophobicContact CD1-CG2 3.97Å; L886-V905 HydrophobicContact CD2-CG2 4.35Å; L886-V905 HydrophobicContact CG-CG2 4.31Å |
| 887 | L | 87.6 | Confident | 85.9 | Confident | 18 Ų | 18 | 31.3 Ų | 31.3 | 9% | 0.094 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.5 | -46.5 | 171.5 | 175.6 | 62.6 | 0 | 0 | 0 | 111 | L883 Q884 G889 V890 N891 I964 K967 I968 | L883-L887 PolarHBondContact O-N 2.65Å; Q884-L887 WeakPolarHBondContact O-CB 3.49Å; Q884-L887 PolarHBondContact O-N 3.49Å; Q884-L887 VanDerWaalsContact O-N 3.17Å; L887-G889 VanDerWaalsContact C-N 3.31Å; L887-G889 PolarHBondContact O-N 2.94Å; L887-V890 PolarHBondContact O-N 3Å; L887-N891 VanDerWaalsContact O-CG 3.22Å; L887-N891 PolarHBondContact O-N 3.45Å; L887-N891 VanDerWaalsContact O-N 3.14Å; L887-N891 PolarHBondContact O-ND2 2.84Å; L887-I964 HydrophobicContact CB-CG2 4.36Å; L887-K967 HydrophobicContact CD1-CB 4.03Å; L887-K967 HydrophobicContact CD2-CB 3.8Å; L887-K967 HydrophobicContact CD2-CD 4.04Å; L887-I968 HydrophobicContact CB-CD1 4.41Å; L887-I968 HydrophobicContact CB-CG1 3.87Å; L887-I968 HydrophobicContact CD1-CG1 3.83Å; L887-I968 HydrophobicContact CG-CG1 4.41Å |
| 888 | D | 86.2 | Confident | 86.2 | Confident | 36 Ų | 36 | 26.3 Ų | 26.3 | 19% | 0.193 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.1 | -38.9 | 177.7 | -61.6 | -20.9 | 0 | 0 | 0 | 111.1 | R843 Q884 T885 N891 S892 | R843-D888 IonicContact CZ-OD1 2.69Å; R843-D888 IonicContact CZ-OD2 3.34Å; R843-D888 IonicContact NE-OD2 2.59Å; R843-D888 PolarHBondContact NE-OD2 3.33Å; R843-D888 VanDerWaalsContact NH2-CG 3.26Å; R843-D888 IonicContact NH2-OD1 2.92Å; R843-D888 PolarHBondContact NH2-OD1 3.29Å; R843-D888 IonicContact NH2-OD2 3.42Å; R843-D888 PolarHBondContact NH2-OD2 2.88Å; Q884-D888 VanDerWaalsContact O-CG 3.31Å; Q884-D888 PolarHBondContact O-N 2.93Å; T885-D888 PolarHBondContact O-N 3.01Å; D888-N891 CarbonylContact O-C 3.55Å; D888-N891 PolarHBondContact O-N 3.05Å; D888-S892 PolarHBondContact O-N 2.75Å |
| 889 | G | 86.2 | Confident | 86.4 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.7 | -38 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | T885 L886 L887 N891 S892 | T885-G889 PolarHBondContact O-N 3.28Å; L886-G889 PolarHBondContact O-N 3.36Å; L887-G889 VanDerWaalsContact C-N 3.31Å; L887-G889 PolarHBondContact O-N 2.94Å; G889-N891 VanDerWaalsContact C-N 3.25Å; G889-N891 PolarHBondContact O-N 3.26Å; G889-S892 WeakPolarHBondContact O-CB 3.46Å; G889-S892 PolarHBondContact O-N 3.13Å |
| 890 | V | 86.1 | Confident | 86.7 | Confident | 6 Ų | 6 | 28.5 Ų | 28.5 | 4% | 0.036 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.2 | -33.8 | 172.9 | 167 | 0 | 0 | 0 | 0 | 111.1 | L886 L887 S892 A901 V905 L972 | L886-V890 WeakPolarHBondContact O-CB 3.47Å; L886-V890 VanDerWaalsContact O-CG2 3.23Å; L886-V890 WeakPolarHBondContact O-CG2 3.32Å; L886-V890 PolarHBondContact O-N 2.8Å; L887-V890 PolarHBondContact O-N 3Å; V890-S892 VanDerWaalsContact C-N 3.28Å; V890-S892 PolarHBondContact O-N 2.91Å; V890-A901 HydrophobicContact CG2-CB 4.29Å; V890-V905 HydrophobicContact CG2-CG2 4.41Å; V890-L972 HydrophobicContact CG1-CD2 3.46Å; V890-L972 VanDerWaalsContact CG1-CD2 3.46Å; V890-L972 HydrophobicContact CG1-CG 3.9Å; V890-L972 HydrophobicContact CG2-CD2 4.49Å |
| 891 | N | 83.3 | Confident | 87.1 | Confident | 83 Ų | 83 | 27.7 Ų | 27.7 | 44% | 0.444 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 4.1 | 177.5 | -62.9 | -12.5 | 0 | 0 | 0 | 113.5 | L887 D888 G889 S971 | L887-N891 VanDerWaalsContact O-CG 3.22Å; L887-N891 PolarHBondContact O-N 3.45Å; L887-N891 VanDerWaalsContact O-N 3.14Å; L887-N891 PolarHBondContact O-ND2 2.84Å; D888-N891 CarbonylContact O-C 3.55Å; D888-N891 PolarHBondContact O-N 3.05Å; G889-N891 VanDerWaalsContact C-N 3.25Å; G889-N891 PolarHBondContact O-N 3.26Å; N891-S971 VanDerWaalsContact OD1-CB 3.32Å; N891-S971 WeakPolarHBondContact OD1-CB 3.47Å; N891-S971 PolarHBondContact OD1-OG 3.34Å |
| 892 | S | 81.9 | Confident | 87.2 | Confident | 25 Ų | 25 | 26.7 Ų | 26.7 | 18% | 0.175 | 15% | 0.15 | C | C | . | . | trans | -70.9 | 140.8 | -176.7 | -170.9 | 0 | 0 | 0 | 0 | 111.3 | D888 G889 V890 N894 V898 | D888-S892 PolarHBondContact O-N 2.75Å; G889-S892 WeakPolarHBondContact O-CB 3.46Å; G889-S892 PolarHBondContact O-N 3.13Å; V890-S892 VanDerWaalsContact C-N 3.28Å; V890-S892 PolarHBondContact O-N 2.91Å; S892-N894 PolarHBondContact O-N 3.39Å; S892-N894 PolarHBondContact OG-N 3.4Å; S892-V898 WeakPolarHBondContact O-CG2 3.26Å | ||
| 893 | P | 76.4 | Confident | 87.3 | Confident | 93 Ų | 93 | 27.8 Ų | 27.8 | 60% | 0.604 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -69.6 | -14.9 | 172.2 | 28.7 | -35.6 | 0 | 0 | 0 | 113 | ||
| 894 | N | 80.2 | Confident | 87.5 | Confident | 54 Ų | 54 | 27.4 Ų | 27.4 | 29% | 0.289 | 16% | 0.157 | S | C | . | . | trans | -92 | 114.3 | -178.5 | -172.3 | -6.6 | 0 | 0 | 0 | 111.5 | S892 D896 I897 V898 | S892-N894 PolarHBondContact O-N 3.39Å; S892-N894 PolarHBondContact OG-N 3.4Å; N894-D896 PolarHBondContact O-N 2.96Å; N894-D896 VanDerWaalsContact O-N 3.14Å; N894-D896 WeakPolarHBondContact OD1-CB 3.44Å; N894-D896 PolarHBondContact OD1-N 3.05Å; N894-I897 HydrophobicContact CB-CD1 4.04Å; N894-I897 HydrophobicContact CB-CG1 4.19Å; N894-I897 WeakPolarHBondContact O-CB 3.5Å; N894-I897 PolarHBondContact O-N 3.46Å; N894-V898 PolarHBondContact O-N 3.01Å | ||
| 895 | T | 83.7 | Confident | 87.6 | Confident | 38 Ų | 38 | 25.5 Ų | 25.5 | 23% | 0.233 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -54.5 | -33.4 | 177.2 | -45.5 | 0 | 0 | 0 | 0 | 112.9 | I897 V898 I899 R982 C983 | T895-I897 PolarHBondContact O-N 3.44Å; T895-V898 PolarHBondContact O-N 3.31Å; T895-I899 HydrophobicContact CG2-CD1 3.77Å; T895-I899 HydrophobicContact CG2-CG1 4.13Å; T895-I899 WeakPolarHBondContact O-CG1 3.45Å; T895-I899 PolarHBondContact O-N 3.28Å; T895-I899 VanDerWaalsContact O-N 3.12Å; T895-R982 HydrophobicContact CG2-CB 4.42Å; T895-R982 WeakPolarHBondContact OG1-CD 3.4Å; T895-C983 HydrophobicContact CG2-CB 4.17Å |
| 896 | D | 86.1 | Confident | 87.5 | Confident | 75 Ų | 75 | 25.6 Ų | 25.6 | 40% | 0.401 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -64.5 | -19.3 | 177.5 | -73 | -15.4 | 0 | 0 | 0 | 113.5 | K854 N894 P900 | K854-D896 HydrophobicContact CD-CB 3.91Å; K854-D896 HydrophobicContact CG-CB 4.41Å; K854-D896 IonicContact NZ-OD2 2.67Å; K854-D896 PolarHBondContact NZ-OD2 3.47Å; N894-D896 PolarHBondContact O-N 2.96Å; N894-D896 VanDerWaalsContact O-N 3.14Å; N894-D896 WeakPolarHBondContact OD1-CB 3.44Å; N894-D896 PolarHBondContact OD1-N 3.05Å; D896-P900 WeakPolarHBondContact O-CD 3.32Å; D896-P900 WeakPolarHBondContact O-CG 3.44Å |
| 897 | I | 88.8 | Confident | 87.4 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -96.6 | -41.2 | 177.5 | -62.6 | 175.9 | 0 | 0 | 0 | 110 | A853 K854 H857 N894 T895 I899 P900 A901 | A853-I897 HydrophobicContact CB-CD1 3.82Å; K854-I897 HydrophobicContact CB-CG1 4.06Å; H857-I897 VanDerWaalsContact CD2-CG2 3.49Å; H857-I897 WeakPolarHBondContact CD2-CG2 3.42Å; N894-I897 HydrophobicContact CB-CD1 4.04Å; N894-I897 HydrophobicContact CB-CG1 4.19Å; N894-I897 WeakPolarHBondContact O-CB 3.5Å; N894-I897 PolarHBondContact O-N 3.46Å; T895-I897 PolarHBondContact O-N 3.44Å; I897-I899 PolarHBondContact O-N 3.06Å; I897-P900 VanDerWaalsContact O-CD 3.31Å; I897-P900 WeakPolarHBondContact O-CD 3.47Å; I897-P900 WeakPolarHBondContact O-CG 3.17Å; I897-A901 VanDerWaalsContact O-CB 3.23Å; I897-A901 WeakPolarHBondContact O-CB 3.27Å; I897-A901 PolarHBondContact O-N 3.38Å |
| 898 | V | 88.4 | Confident | 87.4 | Confident | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.024 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.8 | -45.4 | -178.3 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | S892 N894 T895 A901 C902 C983 M987 | S892-V898 WeakPolarHBondContact O-CG2 3.26Å; N894-V898 PolarHBondContact O-N 3.01Å; T895-V898 PolarHBondContact O-N 3.31Å; V898-A901 PolarHBondContact O-N 2.88Å; V898-C902 WeakPolarHBondContact O-CB 3.44Å; V898-C902 PolarHBondContact O-N 3.47Å; V898-C902 PolarHBondContact O-SG 3.42Å; V898-C983 VanDerWaalsContact CG1-SG 3.57Å; V898-M987 HydrophobicContact CG1-CE 3.49Å; V898-M987 VanDerWaalsContact CG1-CE 3.49Å; V898-M987 HydrophobicContact CG1-CG 4.04Å |
| 899 | I | 90.9 | Very high | 87.3 | Confident | 63 Ų | 63 | 25.6 Ų | 25.6 | 32% | 0.323 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -57.2 | -57.7 | -179 | -67.3 | 170.7 | 0 | 0 | 0 | 111.7 | T895 I897 A901 C902 A903 C983 | T895-I899 HydrophobicContact CG2-CD1 3.77Å; T895-I899 HydrophobicContact CG2-CG1 4.13Å; T895-I899 WeakPolarHBondContact O-CG1 3.45Å; T895-I899 PolarHBondContact O-N 3.28Å; T895-I899 VanDerWaalsContact O-N 3.12Å; I897-I899 PolarHBondContact O-N 3.06Å; I899-A901 VanDerWaalsContact C-N 3.33Å; I899-A901 PolarHBondContact O-N 3.42Å; I899-C902 PolarHBondContact O-N 3.02Å; I899-A903 WeakPolarHBondContact O-CB 3.38Å; I899-A903 PolarHBondContact O-N 3.07Å; I899-C983 HydrophobicContact CD1-CB 4.36Å; I899-C983 HydrophobicContact CG1-CB 3.94Å |
| 900 | P | 91.9 | Very high | 87.3 | Confident | 4 Ų | 4 | 26 Ų | 26 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.5 | -34.1 | 179.4 | 22.7 | -32.3 | 0 | 0 | 0 | 112.6 | H857 E861 D896 I897 A903 T904 | H857-P900 HydrophobicContact CB-CB 4.18Å; H857-P900 HydrophobicContact CB-CG 4Å; E861-P900 HydrophobicContact CB-CB 3.99Å; E861-P900 WeakPolarHBondContact OE2-CB 3.29Å; D896-P900 WeakPolarHBondContact O-CD 3.32Å; D896-P900 WeakPolarHBondContact O-CG 3.44Å; I897-P900 VanDerWaalsContact O-CD 3.31Å; I897-P900 WeakPolarHBondContact O-CD 3.47Å; I897-P900 WeakPolarHBondContact O-CG 3.17Å; P900-A903 PolarHBondContact O-N 2.75Å; P900-T904 WeakPolarHBondContact O-CB 3.35Å; P900-T904 PolarHBondContact O-N 2.9Å; P900-T904 PolarHBondContact O-OG1 3.22Å |
| 901 | A | 92 | Very high | 87.1 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.2 | -48.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L886 V890 I897 V898 I899 A903 T904 V905 | L886-A901 HydrophobicContact CD2-CB 4.24Å; V890-A901 HydrophobicContact CG2-CB 4.29Å; I897-A901 VanDerWaalsContact O-CB 3.23Å; I897-A901 WeakPolarHBondContact O-CB 3.27Å; I897-A901 PolarHBondContact O-N 3.38Å; V898-A901 PolarHBondContact O-N 2.88Å; I899-A901 VanDerWaalsContact C-N 3.33Å; I899-A901 PolarHBondContact O-N 3.42Å; A901-A903 PolarHBondContact O-N 2.75Å; A901-T904 WeakPolarHBondContact O-CB 3.25Å; A901-T904 PolarHBondContact O-N 3.24Å; A901-V905 WeakPolarHBondContact O-CG2 3.28Å; A901-V905 PolarHBondContact O-N 2.68Å |
| 902 | C | 91.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 178.2 | -66.7 | 0 | 0 | 0 | 0 | 112.1 | V898 I899 T904 V905 D906 S986 P990 | V898-C902 WeakPolarHBondContact O-CB 3.44Å; V898-C902 PolarHBondContact O-N 3.47Å; V898-C902 PolarHBondContact O-SG 3.42Å; I899-C902 PolarHBondContact O-N 3.02Å; C902-T904 VanDerWaalsContact C-N 3.3Å; C902-T904 PolarHBondContact O-N 2.95Å; C902-V905 PolarHBondContact O-N 3.01Å; C902-D906 WeakPolarHBondContact O-CB 3.43Å; C902-D906 PolarHBondContact O-N 3.01Å; C902-S986 VanDerWaalsContact CB-O 3.28Å; C902-S986 WeakPolarHBondContact CB-O 3.34Å; C902-P990 HydrophobicContact CB-CG 4.49Å |
| 903 | A | 91.8 | Very high | 86.7 | Confident | 24 Ų | 24 | 22.7 Ų | 22.7 | 20% | 0.198 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61 | -41 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E861 I899 P900 A901 D906 K907 | E861-A903 HydrophobicContact CG-CB 3.9Å; E861-A903 WeakPolarHBondContact OE1-CB 3.45Å; I899-A903 WeakPolarHBondContact O-CB 3.38Å; I899-A903 PolarHBondContact O-N 3.07Å; P900-A903 PolarHBondContact O-N 2.75Å; A901-A903 PolarHBondContact O-N 2.75Å; A903-D906 PolarHBondContact O-N 3.42Å; A903-K907 WeakPolarHBondContact O-CG 3.32Å; A903-K907 PolarHBondContact O-N 2.87Å |
| 904 | T | 92.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.8 | -48.1 | 175.3 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | L860 E861 V864 L886 P900 A901 C902 D906 K907 V908 | L860-T904 HydrophobicContact CB-CG2 4.18Å; E861-T904 VanDerWaalsContact CA-OG1 3.29Å; E861-T904 WeakPolarHBondContact CA-OG1 3.42Å; E861-T904 PolarHBondContact N-OG1 3.26Å; V864-T904 HydrophobicContact CB-CG2 4.33Å; V864-T904 HydrophobicContact CG2-CG2 3.88Å; L886-T904 HydrophobicContact CD1-CG2 3.98Å; L886-T904 HydrophobicContact CD2-CG2 3.82Å; P900-T904 WeakPolarHBondContact O-CB 3.35Å; P900-T904 PolarHBondContact O-N 2.9Å; P900-T904 PolarHBondContact O-OG1 3.22Å; A901-T904 WeakPolarHBondContact O-CB 3.25Å; A901-T904 PolarHBondContact O-N 3.24Å; C902-T904 VanDerWaalsContact C-N 3.3Å; C902-T904 PolarHBondContact O-N 2.95Å; T904-D906 VanDerWaalsContact C-N 3.33Å; T904-D906 PolarHBondContact O-N 3.28Å; T904-K907 PolarHBondContact O-N 3.49Å; T904-V908 HydrophobicContact CG2-CG2 4.25Å; T904-V908 WeakPolarHBondContact O-CB 3.41Å; T904-V908 VanDerWaalsContact O-CG2 3.3Å; T904-V908 WeakPolarHBondContact O-CG2 3.33Å; T904-V908 PolarHBondContact O-N 3.42Å |
| 905 | V | 91 | Very high | 86.2 | Confident | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57 | -47.1 | 176.1 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | L886 V890 A901 C902 K907 V908 V909 I968 P990 L994 | L886-V905 HydrophobicContact CB-CG2 3.92Å; L886-V905 HydrophobicContact CD1-CG2 3.97Å; L886-V905 HydrophobicContact CD2-CG2 4.35Å; L886-V905 HydrophobicContact CG-CG2 4.31Å; V890-V905 HydrophobicContact CG2-CG2 4.41Å; A901-V905 WeakPolarHBondContact O-CG2 3.28Å; A901-V905 PolarHBondContact O-N 2.68Å; C902-V905 PolarHBondContact O-N 3.01Å; V905-K907 VanDerWaalsContact C-N 3.32Å; V905-K907 PolarHBondContact O-N 2.93Å; V905-V908 PolarHBondContact O-N 2.91Å; V905-V909 HydrophobicContact CG1-CG2 3.87Å; V905-V909 VanDerWaalsContact O-CB 3.28Å; V905-V909 WeakPolarHBondContact O-CB 3.48Å; V905-V909 WeakPolarHBondContact O-CG2 3.43Å; V905-V909 PolarHBondContact O-N 3.2Å; V905-I968 HydrophobicContact CG1-CG2 4.03Å; V905-I968 HydrophobicContact CG2-CD1 4.43Å; V905-I968 HydrophobicContact CG2-CG2 4.42Å; V905-P990 HydrophobicContact CB-CB 4.2Å; V905-P990 HydrophobicContact CG1-CB 3.63Å; V905-P990 HydrophobicContact CG1-CG 4.42Å; V905-L994 HydrophobicContact CG1-CD1 4.28Å |
| 906 | D | 89.5 | Confident | 85.4 | Confident | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -52.8 | -50.1 | -179.3 | -178.2 | 28.3 | 0 | 0 | 0 | 110.9 | C902 A903 T904 S910 R989 P990 K1040 | C902-D906 WeakPolarHBondContact O-CB 3.43Å; C902-D906 PolarHBondContact O-N 3.01Å; A903-D906 PolarHBondContact O-N 3.42Å; T904-D906 VanDerWaalsContact C-N 3.33Å; T904-D906 PolarHBondContact O-N 3.28Å; D906-S910 WeakPolarHBondContact O-CB 3.45Å; D906-S910 PolarHBondContact O-N 2.94Å; D906-S910 PolarHBondContact O-OG 3.48Å; D906-R989 IonicContact OD2-CZ 4Å; D906-R989 IonicContact OD2-NE 3.37Å; D906-R989 PolarHBondContact OD2-NE 3.35Å; D906-R989 IonicContact OD2-NH2 2.94Å; D906-R989 PolarHBondContact OD2-NH2 2.93Å; D906-R989 VanDerWaalsContact OD2-NH2 3.1Å; D906-P990 HydrophobicContact CB-CB 4.2Å; D906-K1040 WeakPolarHBondContact OD1-CE 3.42Å; D906-K1040 IonicContact OD1-NZ 3.22Å; D906-K1040 PolarHBondContact OD1-NZ 3.3Å; D906-K1040 IonicContact OD2-NZ 3.4Å; D906-K1040 PolarHBondContact OD2-NZ 3.07Å |
| 907 | K | 89.4 | Confident | 84.4 | Confident | 47 Ų | 47 | 23.7 Ų | 23.7 | 20% | 0.204 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -79.4 | -35.2 | -174.8 | -29.1 | -144.3 | -74.6 | -85.5 | 0 | 112.6 | E861 V864 A903 T904 V905 S910 H911 | E861-K907 PolarHBondContact O-NZ 3.14Å; V864-K907 HydrophobicContact CG1-CB 3.53Å; V864-K907 HydrophobicContact CG1-CG 4.08Å; V864-K907 VanDerWaalsContact O-CE 3.27Å; V864-K907 WeakPolarHBondContact O-CE 3.34Å; A903-K907 WeakPolarHBondContact O-CG 3.32Å; A903-K907 PolarHBondContact O-N 2.87Å; T904-K907 PolarHBondContact O-N 3.49Å; V905-K907 VanDerWaalsContact C-N 3.32Å; V905-K907 PolarHBondContact O-N 2.93Å; K907-S910 PolarHBondContact O-N 2.88Å; K907-H911 WeakPolarHBondContact O-CB 2.82Å; K907-H911 PolarHBondContact O-N 3.43Å |
| 908 | V | 88 | Confident | 82.8 | Confident | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.012 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.8 | -50.3 | 173.8 | 170 | 0 | 0 | 0 | 0 | 110.5 | V864 V871 T872 T904 V905 S910 H911 M912 | V864-V908 HydrophobicContact CG1-CG2 4.14Å; V864-V908 HydrophobicContact CG2-CG2 4.02Å; V871-V908 HydrophobicContact CG1-CG2 4.42Å; T872-V908 HydrophobicContact CG2-CG1 4.37Å; T904-V908 HydrophobicContact CG2-CG2 4.25Å; T904-V908 WeakPolarHBondContact O-CB 3.41Å; T904-V908 VanDerWaalsContact O-CG2 3.3Å; T904-V908 WeakPolarHBondContact O-CG2 3.33Å; T904-V908 PolarHBondContact O-N 3.42Å; V905-V908 PolarHBondContact O-N 2.91Å; V908-S910 VanDerWaalsContact C-N 3.33Å; V908-S910 PolarHBondContact O-N 2.79Å; V908-H911 PolarHBondContact O-N 2.67Å; V908-M912 HydrophobicContact CG1-CE 3.71Å; V908-M912 HydrophobicContact CG1-SD 4.11Å; V908-M912 WeakPolarHBondContact O-CB 3.42Å; V908-M912 WeakPolarHBondContact O-CG 3.24Å; V908-M912 PolarHBondContact O-N 3.42Å |
| 909 | V | 84.4 | Confident | 80.9 | Confident | 7 Ų | 7 | 31.6 Ų | 31.6 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.4 | -40.4 | 179 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | V905 H911 M912 Y913 G993 L994 L997 | V905-V909 HydrophobicContact CG1-CG2 3.87Å; V905-V909 VanDerWaalsContact O-CB 3.28Å; V905-V909 WeakPolarHBondContact O-CB 3.48Å; V905-V909 WeakPolarHBondContact O-CG2 3.43Å; V905-V909 PolarHBondContact O-N 3.2Å; V909-H911 VanDerWaalsContact C-N 3.34Å; V909-H911 PolarHBondContact O-N 3.36Å; V909-M912 PolarHBondContact O-N 2.86Å; V909-Y913 WeakPolarHBondContact O-CB 3.42Å; V909-Y913 PolarHBondContact O-N 2.89Å; V909-G993 WeakPolarHBondContact CG1-O 3.2Å; V909-L994 HydrophobicContact CG1-CD2 4.22Å; V909-L994 HydrophobicContact CG1-CG 4.24Å; V909-L994 HydrophobicContact CG2-CD2 3.66Å; V909-L994 HydrophobicContact CG2-CG 4.13Å; V909-L997 HydrophobicContact CG1-CD2 4.39Å |
| 910 | S | 84.6 | Confident | 78.9 | Confident | 11 Ų | 11 | 31.8 Ų | 31.8 | 8% | 0.077 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.7 | -43.1 | 176.2 | -61.8 | 0 | 0 | 0 | 0 | 112.7 | D906 K907 V908 Y913 Q914 K1040 | D906-S910 WeakPolarHBondContact O-CB 3.45Å; D906-S910 PolarHBondContact O-N 2.94Å; D906-S910 PolarHBondContact O-OG 3.48Å; K907-S910 PolarHBondContact O-N 2.88Å; V908-S910 VanDerWaalsContact C-N 3.33Å; V908-S910 PolarHBondContact O-N 2.79Å; S910-Y913 PolarHBondContact O-N 2.85Å; S910-Q914 WeakPolarHBondContact O-CG 3.07Å; S910-Q914 PolarHBondContact O-N 3.14Å; S910-K1040 PolarHBondContact OG-NZ 3.44Å |
| 911 | H | 82.4 | Confident | 76.8 | Confident | 26 Ų | 26 | 32.5 Ų | 32.5 | 12% | 0.12 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.1 | -42.6 | 177 | -171.3 | 76.3 | 0 | 0 | 0 | 111.8 | V868 T872 K907 V908 V909 Y913 Q914 R915 | V868-H911 HydrophobicContact CG1-CB 4.21Å; V868-H911 HydrophobicContact CG2-CB 3.59Å; T872-H911 PolarHBondContact OG1-CD2 3.08Å; K907-H911 WeakPolarHBondContact O-CB 2.82Å; K907-H911 PolarHBondContact O-N 3.43Å; V908-H911 PolarHBondContact O-N 2.67Å; V909-H911 VanDerWaalsContact C-N 3.34Å; V909-H911 PolarHBondContact O-N 3.36Å; H911-Y913 VanDerWaalsContact C-N 3.34Å; H911-Y913 PolarHBondContact O-N 2.97Å; H911-Q914 PolarHBondContact O-N 2.87Å; H911-R915 WeakPolarHBondContact O-CB 3.43Å; H911-R915 PolarHBondContact O-N 3.24Å |
| 912 | M | 79.3 | Confident | 74.6 | Confident | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59 | -44.1 | 174.9 | -76.4 | -178.1 | 178.8 | 0 | 0 | 112 | T872 L879 V908 V909 R915 Y916 I940 | T872-M912 HydrophobicContact CG2-CE 4.33Å; T872-M912 HydrophobicContact CG2-CG 4.35Å; L879-M912 HydrophobicContact CD1-CE 4.26Å; L879-M912 HydrophobicContact CD2-CE 4.25Å; V908-M912 HydrophobicContact CG1-CE 3.71Å; V908-M912 HydrophobicContact CG1-SD 4.11Å; V908-M912 WeakPolarHBondContact O-CB 3.42Å; V908-M912 WeakPolarHBondContact O-CG 3.24Å; V908-M912 PolarHBondContact O-N 3.42Å; V909-M912 PolarHBondContact O-N 2.86Å; M912-R915 PolarHBondContact O-N 3.38Å; M912-Y916 WeakPolarHBondContact O-CB 3.47Å; M912-Y916 PolarHBondContact O-N 3.07Å; M912-I940 HydrophobicContact CB-CD1 3.98Å; M912-I940 HydrophobicContact CG-CD1 4.33Å |
| 913 | Y | 76.9 | Confident | 72.5 | Confident | 11 Ų | 11 | 43.3 Ų | 43.3 | 4% | 0.043 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.1 | -50.9 | 176.5 | 177.3 | -94.3 | 0 | 0 | 0 | 112 | V909 S910 H911 R915 Y916 Y917 L996 R1033 L1035 | V909-Y913 WeakPolarHBondContact O-CB 3.42Å; V909-Y913 PolarHBondContact O-N 2.89Å; S910-Y913 PolarHBondContact O-N 2.85Å; H911-Y913 VanDerWaalsContact C-N 3.34Å; H911-Y913 PolarHBondContact O-N 2.97Å; Y913-R915 PolarHBondContact O-N 2.84Å; Y913-Y916 PolarHBondContact O-N 2.76Å; Y913-Y916 VanDerWaalsContact O-N 3.16Å; Y913-Y917 AromaticContact CD2-CD2 3.35Å; Y913-Y917 HydrophobicContact CD2-CD2 3.35Å; Y913-Y917 AromaticContact CD2-CE2 3.68Å; Y913-Y917 HydrophobicContact CD2-CE2 3.68Å; Y913-Y917 HydrophobicContact CD2-CG 4.36Å; Y913-Y917 AromaticContact CE2-CD2 3.18Å; Y913-Y917 HydrophobicContact CE2-CD2 3.18Å; Y913-Y917 AromaticContact CE2-CE2 3.52Å; Y913-Y917 HydrophobicContact CE2-CE2 3.52Å; Y913-Y917 AromaticContact CE2-CG 3.87Å; Y913-Y917 HydrophobicContact CE2-CG 3.87Å; Y913-Y917 HydrophobicContact CG-CD2 4.14Å; Y913-Y917 AromaticContact CZ-CD2 3.9Å; Y913-Y917 PolarHBondContact O-N 3.25Å; Y913-L996 HydrophobicContact CD2-CB 3.8Å; Y913-L996 HydrophobicContact CE1-CD1 4.46Å; Y913-L996 HydrophobicContact CE2-CB 3.54Å; Y913-L996 HydrophobicContact CE2-CD1 3.99Å; Y913-L996 HydrophobicContact CE2-CG 4.33Å; Y913-R1033 PolarHBondContact OH-O 2.82Å; Y913-L1035 HydrophobicContact CD1-CD1 3.54Å; Y913-L1035 HydrophobicContact CD1-CG 3.85Å; Y913-L1035 HydrophobicContact CE1-CD1 4.4Å; Y913-L1035 HydrophobicContact CE1-CG 4.25Å; Y913-L1035 HydrophobicContact CG-CD1 3.66Å; Y913-L1035 HydrophobicContact CG-CG 4.32Å |
| 914 | Q | 76.2 | Confident | 70.3 | Confident | 113 Ų | 113 | 45 Ų | 45 | 53% | 0.528 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.3 | -36.4 | 178.3 | -75.7 | 176.8 | -4.6 | 0 | 0 | 112.3 | S910 H911 G918 | S910-Q914 WeakPolarHBondContact O-CG 3.07Å; S910-Q914 PolarHBondContact O-N 3.14Å; H911-Q914 PolarHBondContact O-N 2.87Å; Q914-G918 WeakPolarHBondContact O-CA 3.33Å; Q914-G918 PolarHBondContact O-N 2.95Å |
| 915 | R | 70 | Confident | 67.8 | Low | 81 Ų | 81 | 49 Ų | 49 | 31% | 0.306 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -77.8 | -30.2 | -179.6 | -158.5 | 159.3 | -176.4 | 128.4 | -0.1 | 113 | H911 M912 Y913 D934 | H911-R915 WeakPolarHBondContact O-CB 3.43Å; H911-R915 PolarHBondContact O-N 3.24Å; M912-R915 PolarHBondContact O-N 3.38Å; Y913-R915 PolarHBondContact O-N 2.84Å; R915-D934 IonicContact CZ-OD1 3.31Å; R915-D934 IonicContact CZ-OD2 3.55Å; R915-D934 VanDerWaalsContact NE-CG 3.27Å; R915-D934 IonicContact NE-OD1 2.69Å; R915-D934 PolarHBondContact NE-OD1 3.24Å; R915-D934 VanDerWaalsContact NE-OD1 3.08Å; R915-D934 IonicContact NE-OD2 3.06Å; R915-D934 PolarHBondContact NE-OD2 3.44Å; R915-D934 VanDerWaalsContact NH2-CG 3.27Å; R915-D934 IonicContact NH2-OD1 2.71Å; R915-D934 PolarHBondContact NH2-OD1 3.4Å; R915-D934 IonicContact NH2-OD2 3.56Å; R915-D934 PolarHBondContact NH2-OD2 3.49Å |
| 916 | Y | 67.4 | Low | 65.6 | Low | 48 Ų | 48 | 54 Ų | 54 | 19% | 0.188 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -79.9 | -42 | 177.7 | -168.8 | -94.4 | 0 | 0 | 0 | 113.1 | M912 Y913 I924 L937 I940 R941 | M912-Y916 WeakPolarHBondContact O-CB 3.47Å; M912-Y916 PolarHBondContact O-N 3.07Å; Y913-Y916 PolarHBondContact O-N 2.76Å; Y913-Y916 VanDerWaalsContact O-N 3.16Å; Y916-I924 PolarHBondContact O-N 2.83Å; Y916-L937 HydrophobicContact CD2-CD2 4.36Å; Y916-I940 HydrophobicContact CD2-CB 3.88Å; Y916-I940 HydrophobicContact CD2-CD1 4.36Å; Y916-I940 HydrophobicContact CD2-CG2 3.36Å; Y916-I940 HydrophobicContact CE2-CB 4.06Å; Y916-I940 HydrophobicContact CE2-CG2 3.36Å; Y916-I940 HydrophobicContact CG-CG2 4.03Å; Y916-R941 HydrophobicContact CE2-CG 3.87Å |
| 917 | Y | 65.1 | Low | 63.1 | Low | 39 Ų | 39 | 60.2 Ų | 60.2 | 15% | 0.153 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -104.2 | -0.8 | -175.4 | -69.5 | -82.4 | 0 | 0 | 0 | 114.9 | Y913 G921 E922 | Y913-Y917 AromaticContact CD2-CD2 3.35Å; Y913-Y917 HydrophobicContact CD2-CD2 3.35Å; Y913-Y917 AromaticContact CD2-CE2 3.68Å; Y913-Y917 HydrophobicContact CD2-CE2 3.68Å; Y913-Y917 HydrophobicContact CD2-CG 4.36Å; Y913-Y917 AromaticContact CE2-CD2 3.18Å; Y913-Y917 HydrophobicContact CE2-CD2 3.18Å; Y913-Y917 AromaticContact CE2-CE2 3.52Å; Y913-Y917 HydrophobicContact CE2-CE2 3.52Å; Y913-Y917 AromaticContact CE2-CG 3.87Å; Y913-Y917 HydrophobicContact CE2-CG 3.87Å; Y913-Y917 HydrophobicContact CG-CD2 4.14Å; Y913-Y917 AromaticContact CZ-CD2 3.9Å; Y913-Y917 PolarHBondContact O-N 3.25Å; Y917-G921 PolarHBondContact O-N 3.22Å; Y917-E922 CarbonylContact C-O 3.24Å; Y917-E922 VanDerWaalsContact C-O 3.24Å; Y917-E922 CarbonylContact O-C 3.57Å; Y917-E922 PolarHBondContact O-N 3.2Å |
| 918 | G | 55.3 | Low | 60.6 | Low | 20 Ų | 20 | 61.9 Ų | 61.9 | 21% | 0.206 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | 60.6 | -169.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q914 G920 | Q914-G918 WeakPolarHBondContact O-CA 3.33Å; Q914-G918 PolarHBondContact O-N 2.95Å; G918-G920 PolarHBondContact O-N 2.94Å |
| 919 | V | 49.1 | Very low | 58.2 | Low | 154 Ų | 154 | 65.6 Ų | 65.6 | 93% | 0.933 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -74.8 | -5.1 | -178.3 | -173.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 920 | G | 48 | Very low | 56 | Low | 68 Ų | 68 | 70.6 Ų | 70.6 | 70% | 0.701 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -119.4 | -1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | G918 E922 | G918-G920 PolarHBondContact O-N 2.94Å; G920-E922 VanDerWaalsContact C-N 3.28Å; G920-E922 PolarHBondContact O-N 2.97Å |
| 921 | G | 48.2 | Very low | 53.9 | Low | 18 Ų | 18 | 77.7 Ų | 77.7 | 19% | 0.186 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 4.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y917 | Y917-G921 PolarHBondContact O-N 3.22Š|
| 922 | E | 45.8 | Very low | 51.9 | Low | 165 Ų | 165 | 85 Ų | 85 | 77% | 0.771 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -100 | 131.5 | 174.3 | -70 | -174.1 | 168.6 | 0 | 0 | 110.3 | Y917 G920 I924 | Y917-E922 CarbonylContact C-O 3.24Å; Y917-E922 VanDerWaalsContact C-O 3.24Å; Y917-E922 CarbonylContact O-C 3.57Å; Y917-E922 PolarHBondContact O-N 3.2Å; G920-E922 VanDerWaalsContact C-N 3.28Å; G920-E922 PolarHBondContact O-N 2.97Å; E922-I924 PolarHBondContact O-N 3.46Å |
| 923 | A | 47.1 | Very low | 50.1 | Low | 63 Ų | 63 | 91.1 Ų | 91.1 | 52% | 0.521 | 54% | 0.535 | S | S | . | . | trans | -56.8 | 123.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | S925 | A923-S925 PolarHBondContact O-N 3.45Å; A923-S925 VanDerWaalsContact O-N 3.08Å | ||
| 924 | I | 46.6 | Very low | 49.1 | Very low | 58 Ų | 58 | 91.1 Ų | 91.1 | 30% | 0.297 | 54% | 0.536 | S | S | . | . | trans | -66.2 | 113 | -178.4 | -57.7 | 175 | 0 | 0 | 0 | 109.4 | Y916 E922 L930 R941 | Y916-I924 PolarHBondContact O-N 2.83Å; E922-I924 PolarHBondContact O-N 3.46Å; I924-L930 HydrophobicContact CG2-CD1 4.4Å; I924-R941 PolarHBondContact O-NH2 2.94Å | ||
| 925 | S | 40.4 | Very low | 48.2 | Very low | 84 Ų | 84 | 87.1 Ų | 87.1 | 59% | 0.587 | 52% | 0.518 | S | S | * | . | trans | -67.6 | 139.4 | 171.4 | 179 | 0 | 0 | 0 | 0 | 111.4 | A923 T927 | A923-S925 PolarHBondContact O-N 3.45Å; A923-S925 VanDerWaalsContact O-N 3.08Å; S925-T927 PolarHBondContact O-N 2.85Å | ||
| 926 | V | 43.7 | Very low | 47.5 | Very low | 110 Ų | 110 | 83.3 Ų | 83.3 | 67% | 0.667 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 3.6 | -167.4 | -170.4 | 0 | 0 | 0 | 0 | 114.8 | R941 | V926-R941 VanDerWaalsContact CG2-NH1 3.3Š|
| 927 | T | 36.4 | Very low | 46.6 | Very low | 134 Ų | 134 | 82 Ų | 82 | 82% | 0.822 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -10.7 | 179.7 | 40.6 | 0 | 0 | 0 | 0 | 114.7 | S925 | S925-T927 PolarHBondContact O-N 2.85Š|
| 928 | S | 38.6 | Very low | 46.1 | Very low | 81 Ų | 81 | 86 Ų | 86 | 57% | 0.566 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -92.2 | 115.4 | 169.4 | -162.6 | 0 | 0 | 0 | 0 | 108.9 | L930 | S928-L930 PolarHBondContact O-N 3.37Š|
| 929 | G | 37.4 | Very low | 46 | Very low | 80 Ų | 80 | 85.8 Ų | 85.8 | 83% | 0.825 | 51% | 0.513 | S | S | * | . | trans | -62.2 | 63.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 930 | L | 36.7 | Very low | 46.1 | Very low | 113 Ų | 113 | 79 Ų | 79 | 59% | 0.592 | 47% | 0.471 | S | S | * | . | trans | -80.3 | 125.2 | 169.8 | -70.4 | 168.8 | 0 | 0 | 0 | 109 | I924 S928 | I924-L930 HydrophobicContact CG2-CD1 4.4Å; S928-L930 PolarHBondContact O-N 3.37Å | ||
| 931 | M | 40.5 | Very low | 46.1 | Very low | 159 Ų | 159 | 80.4 Ų | 80.4 | 78% | 0.783 | 46% | 0.455 | S | S | * | . | trans | -52.7 | 138.2 | -159.8 | -47.8 | -163.9 | 83.5 | 0 | 0 | 114.6 | N933 | M931-N933 PolarHBondContact O-N 2.89Š| ||
| 932 | E | 41.2 | Very low | 45.8 | Very low | 179 Ų | 179 | 83.1 Ų | 83.1 | 84% | 0.836 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -4.3 | -178.4 | -68.7 | 177.3 | 140.7 | 0 | 0 | 116.7 | K938 | E932-K938 PolarHBondContact O-NZ 3.05Š|
| 933 | N | 42.6 | Very low | 45.3 | Very low | 135 Ų | 135 | 82.7 Ų | 82.7 | 72% | 0.722 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 15.6 | -172.4 | -73.3 | -20.7 | 0 | 0 | 0 | 115.1 | M931 N935 | M931-N933 PolarHBondContact O-N 2.89Å; N933-N935 PolarHBondContact O-N 3.24Å |
| 934 | D | 54.4 | Low | 44.9 | Very low | 11 Ų | 11 | 84.1 Ų | 84.1 | 6% | 0.059 | 46% | 0.463 | C | S | . | . | trans | -88 | 89.7 | -173.5 | -140 | -26.4 | 0 | 0 | 0 | 112.7 | N873 R915 S936 L937 K938 | N873-D934 PolarHBondContact OD1-OD1 3.38Å; R915-D934 IonicContact CZ-OD1 3.31Å; R915-D934 IonicContact CZ-OD2 3.55Å; R915-D934 VanDerWaalsContact NE-CG 3.27Å; R915-D934 IonicContact NE-OD1 2.69Å; R915-D934 PolarHBondContact NE-OD1 3.24Å; R915-D934 VanDerWaalsContact NE-OD1 3.08Å; R915-D934 IonicContact NE-OD2 3.06Å; R915-D934 PolarHBondContact NE-OD2 3.44Å; R915-D934 VanDerWaalsContact NH2-CG 3.27Å; R915-D934 IonicContact NH2-OD1 2.71Å; R915-D934 PolarHBondContact NH2-OD1 3.4Å; R915-D934 IonicContact NH2-OD2 3.56Å; R915-D934 PolarHBondContact NH2-OD2 3.49Å; D934-S936 PolarHBondContact O-N 3.38Å; D934-S936 PolarHBondContact OD1-OG 3.18Å; D934-L937 HydrophobicContact CB-CB 4.27Å; D934-L937 HydrophobicContact CB-CD1 4Å; D934-L937 HydrophobicContact CB-CG 4.3Å; D934-L937 PolarHBondContact O-N 3.46Å; D934-L937 WeakPolarHBondContact OD2-CD1 3.38Å; D934-K938 PolarHBondContact O-N 3.49Å | ||
| 935 | N | 58.5 | Low | 44.4 | Very low | 29 Ų | 29 | 89.9 Ų | 89.9 | 16% | 0.155 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -61.5 | -30.3 | 179.8 | -70.4 | -29.5 | 0 | 0 | 0 | 112.2 | N873 L874 N933 L937 K938 V939 | N873-N935 PolarHBondContact O-ND2 3.05Å; N873-N935 VanDerWaalsContact O-ND2 3.1Å; L874-N935 WeakPolarHBondContact O-CB 3.44Å; L874-N935 PolarHBondContact O-ND2 3.4Å; N933-N935 PolarHBondContact O-N 3.24Å; N935-L937 PolarHBondContact O-N 3.21Å; N935-K938 PolarHBondContact O-N 3.13Å; N935-V939 WeakPolarHBondContact O-CG2 3.33Å; N935-V939 PolarHBondContact O-N 3.46Å; N935-V939 VanDerWaalsContact O-N 3.16Å |
| 936 | S | 53.7 | Low | 44.1 | Very low | 1 Ų | 1 | 91.9 Ų | 91.9 | 1% | 0.007 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 177.3 | 72.5 | 0 | 0 | 0 | 0 | 113.1 | T872 D934 I940 | T872-S936 WeakPolarHBondContact O-CB 3.19Å; T872-S936 PolarHBondContact O-N 3.22Å; D934-S936 PolarHBondContact O-N 3.38Å; D934-S936 PolarHBondContact OD1-OG 3.18Å; S936-I940 WeakPolarHBondContact O-CG1 3.37Å; S936-I940 PolarHBondContact O-N 3.09Å |
| 937 | L | 49.8 | Very low | 43.4 | Very low | 20 Ų | 20 | 91.8 Ų | 91.8 | 11% | 0.105 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -75.3 | -34.8 | 179.1 | -71.3 | 173.4 | 0 | 0 | 0 | 112.1 | Y916 D934 N935 V939 I940 R941 | Y916-L937 HydrophobicContact CD2-CD2 4.36Å; D934-L937 HydrophobicContact CB-CB 4.27Å; D934-L937 HydrophobicContact CB-CD1 4Å; D934-L937 HydrophobicContact CB-CG 4.3Å; D934-L937 PolarHBondContact O-N 3.46Å; D934-L937 WeakPolarHBondContact OD2-CD1 3.38Å; N935-L937 PolarHBondContact O-N 3.21Å; L937-V939 VanDerWaalsContact C-N 3.26Å; L937-V939 PolarHBondContact O-N 3.43Å; L937-I940 PolarHBondContact O-N 3.21Å; L937-R941 WeakPolarHBondContact O-CB 3.38Å; L937-R941 WeakPolarHBondContact O-CG 3.38Å; L937-R941 PolarHBondContact O-N 3.03Å |
| 938 | K | 53.7 | Low | 43.1 | Very low | 123 Ų | 123 | 94.3 Ų | 94.3 | 54% | 0.535 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.4 | -37.7 | 173.8 | -71.6 | 178.7 | -176.9 | 168.4 | 0 | 111.5 | E932 D934 N935 | E932-K938 PolarHBondContact O-NZ 3.05Å; D934-K938 PolarHBondContact O-N 3.49Å; N935-K938 PolarHBondContact O-N 3.13Å |
| 939 | V | 52.9 | Low | 42.9 | Very low | 16 Ų | 16 | 99.2 Ų | 99.2 | 10% | 0.097 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -66.6 | -37.9 | 176.9 | 159.4 | 0 | 0 | 0 | 0 | 113.1 | L879 N935 L937 V961 | L879-V939 HydrophobicContact CD2-CG2 4.12Å; N935-V939 WeakPolarHBondContact O-CG2 3.33Å; N935-V939 PolarHBondContact O-N 3.46Å; N935-V939 VanDerWaalsContact O-N 3.16Å; L937-V939 VanDerWaalsContact C-N 3.26Å; L937-V939 PolarHBondContact O-N 3.43Å; V939-V961 HydrophobicContact CB-CG1 4.22Å; V939-V961 HydrophobicContact CG1-CB 3.77Å; V939-V961 HydrophobicContact CG1-CG1 3.24Å; V939-V961 HydrophobicContact CG2-CB 4.42Å; V939-V961 HydrophobicContact CG2-CG1 3.98Å; V939-V961 HydrophobicContact CG2-CG2 4.32Å |
| 940 | I | 51.2 | Low | 42.5 | Very low | 11 Ų | 11 | 100 Ų | 100 | 6% | 0.056 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -88.4 | -34.9 | -173.8 | -56.3 | 162.5 | 0 | 0 | 0 | 111.9 | M912 Y916 S936 L937 E942 R962 L997 | M912-I940 HydrophobicContact CB-CD1 3.98Å; M912-I940 HydrophobicContact CG-CD1 4.33Å; Y916-I940 HydrophobicContact CD2-CB 3.88Å; Y916-I940 HydrophobicContact CD2-CD1 4.36Å; Y916-I940 HydrophobicContact CD2-CG2 3.36Å; Y916-I940 HydrophobicContact CE2-CB 4.06Å; Y916-I940 HydrophobicContact CE2-CG2 3.36Å; Y916-I940 HydrophobicContact CG-CG2 4.03Å; S936-I940 WeakPolarHBondContact O-CG1 3.37Å; S936-I940 PolarHBondContact O-N 3.09Å; L937-I940 PolarHBondContact O-N 3.21Å; I940-E942 PolarHBondContact O-N 3.25Å; I940-R962 PolarHBondContact O-NE 2.95Å; I940-R962 VanDerWaalsContact O-NE 3.17Å; I940-R962 PolarHBondContact O-NH2 3.14Å; I940-L997 HydrophobicContact CD1-CD1 4.17Å; I940-L997 HydrophobicContact CG2-CD1 4.31Å |
| 941 | R | 49 | Very low | 42.4 | Very low | 98 Ų | 98 | 101.7 Ų | 101.7 | 37% | 0.37 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -76 | -20.6 | -163.4 | -83.1 | -176.1 | 172.2 | 178.5 | -2 | 117.6 | Y916 I924 V926 L937 K943 | Y916-R941 HydrophobicContact CE2-CG 3.87Å; I924-R941 PolarHBondContact O-NH2 2.94Å; V926-R941 VanDerWaalsContact CG2-NH1 3.3Å; L937-R941 WeakPolarHBondContact O-CB 3.38Å; L937-R941 WeakPolarHBondContact O-CG 3.38Å; L937-R941 PolarHBondContact O-N 3.03Å; R941-K943 PolarHBondContact O-N 3.46Å; R941-K943 VanDerWaalsContact O-N 3.08Å |
| 942 | E | 41.3 | Very low | 41.9 | Very low | 76 Ų | 76 | 99.1 Ų | 99.1 | 36% | 0.355 | 51% | 0.505 | S | S | . | . | trans | -75.1 | 108.1 | -176.2 | -72.5 | -168.5 | 168.8 | 0 | 0 | 112.1 | I940 W955 P958 | I940-E942 PolarHBondContact O-N 3.25Å; E942-W955 WeakPolarHBondContact OE1-CZ3 3.46Å; E942-P958 WeakPolarHBondContact OE2-CB 3.44Å; E942-P958 WeakPolarHBondContact OE2-CG 3.32Å | ||
| 943 | K | 36 | Very low | 41.8 | Very low | 156 Ų | 156 | 101 Ų | 101 | 68% | 0.678 | 51% | 0.511 | S | S | * | . | trans | -66.6 | 138.4 | 171.7 | -73 | -173 | 175.2 | -176.6 | 0 | 109.8 | R941 Q945 | R941-K943 PolarHBondContact O-N 3.46Å; R941-K943 VanDerWaalsContact O-N 3.08Å; K943-Q945 PolarHBondContact O-N 3.46Å | ||
| 944 | P | 38.8 | Very low | 41.6 | Very low | 93 Ų | 93 | 102.9 Ų | 102.9 | 60% | 0.604 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -5.5 | -176.4 | 22.6 | -31.4 | 0 | 0 | 0 | 115.6 | ||
| 945 | Q | 35.2 | Very low | 40.4 | Very low | 179 Ų | 179 | 111.5 Ų | 111.5 | 84% | 0.836 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -8.3 | -171.8 | -73.3 | -180 | -15.3 | 0 | 0 | 116.1 | K943 | K943-Q945 PolarHBondContact O-N 3.46Š|
| 946 | V | 33.8 | Very low | 39.4 | Very low | 126 Ų | 126 | 118.9 Ų | 118.9 | 76% | 0.764 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -104.8 | 5 | -175.2 | -172 | 0 | 0 | 0 | 0 | 114.1 | ||
| 947 | L | 29.1 | Very low | 38.7 | Very low | 108 Ų | 108 | 121.3 Ų | 121.3 | 57% | 0.565 | 59% | 0.592 | S | S | * | * | trans | -127 | 41 | -177.2 | -71.6 | 170.5 | 0 | 0 | 0 | 114.1 | E949 | L947-E949 VanDerWaalsContact C-N 3.29Š| ||
| 948 | Q | 31.3 | Very low | 38.3 | Very low | 186 Ų | 186 | 121.6 Ų | 121.6 | 87% | 0.869 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -82.4 | -2.9 | 166.3 | -136.1 | 172.6 | 8 | 0 | 0 | 113.3 | ||
| 949 | E | 33.8 | Very low | 37.8 | Very low | 185 Ų | 185 | 122.7 Ų | 122.7 | 86% | 0.864 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -119.2 | 6.2 | -172.6 | -83.3 | -168 | 159.9 | 0 | 0 | 117.9 | L947 | L947-E949 VanDerWaalsContact C-N 3.29Š|
| 950 | V | 29.2 | Very low | 37.6 | Very low | 97 Ų | 97 | 124.4 Ų | 124.4 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | trans | -132.2 | 80.7 | 173.3 | -168.9 | 0 | 0 | 0 | 0 | 112.1 | T952 | V950-T952 HydrophobicContact CG1-CG2 4.34Å; V950-T952 WeakPolarHBondContact CG1-OG1 3.23Å; V950-T952 PolarHBondContact O-N 2.87Å | ||
| 951 | V | 33.6 | Very low | 37.6 | Very low | 148 Ų | 148 | 124 Ų | 124 | 90% | 0.897 | 61% | 0.609 | S | S | * | * | trans | -72.5 | 76.3 | 161.9 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 952 | T | 31.3 | Very low | 38.1 | Very low | 105 Ų | 105 | 121.3 Ų | 121.3 | 64% | 0.644 | 60% | 0.599 | S | S | * | * | trans | -130.6 | 135.4 | 163.7 | 52.1 | 0 | 0 | 0 | 0 | 110.7 | V950 Q954 | V950-T952 HydrophobicContact CG1-CG2 4.34Å; V950-T952 WeakPolarHBondContact CG1-OG1 3.23Å; V950-T952 PolarHBondContact O-N 2.87Å; T952-Q954 PolarHBondContact O-N 3.28Å | ||
| 953 | K | 39.6 | Very low | 39.3 | Very low | 219 Ų | 219 | 121.4 Ų | 121.4 | 95% | 0.952 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | 16.8 | -159.5 | -72.6 | 177.9 | 170.8 | 177.3 | 0 | 119 | ||
| 954 | Q | 37.3 | Very low | 41.1 | Very low | 174 Ų | 174 | 114.3 Ų | 114.3 | 81% | 0.813 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120 | -3.2 | -171.9 | -88.3 | 176 | -18.9 | 0 | 0 | 117.6 | T952 | T952-Q954 PolarHBondContact O-N 3.28Š|
| 955 | W | 30.1 | Very low | 43 | Very low | 191 Ų | 191 | 110.5 Ų | 110.5 | 72% | 0.723 | 54% | 0.543 | S | S | * | . | trans | -129.9 | 44.5 | -175.2 | -83.1 | 57.8 | 0 | 0 | 0 | 114.5 | E942 V957 P958 | E942-W955 WeakPolarHBondContact OE1-CZ3 3.46Å; W955-V957 PolarHBondContact O-N 3.03Å; W955-P958 HydrophobicContact CE3-CG 4.28Å; W955-P958 WeakPolarHBondContact O-CD 3.48Å | ||
| 956 | K | 36 | Very low | 45 | Very low | 185 Ų | 185 | 104.5 Ų | 104.5 | 80% | 0.804 | 52% | 0.515 | S | S | * | . | trans | -72.8 | -5.2 | 172.1 | -81.7 | -172.4 | 176.3 | -176 | 0 | 114.5 | V960 | K956-V960 WeakPolarHBondContact O-CG2 3.32Š| ||
| 957 | V | 40.5 | Very low | 47.1 | Very low | 52 Ų | 52 | 102.9 Ų | 102.9 | 32% | 0.315 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.8 | -48.8 | -170.3 | -171.1 | 0 | 0 | 0 | 0 | 113 | P876 V880 W955 F959 V960 V961 | P876-V957 HydrophobicContact CB-CG1 4Å; V880-V957 HydrophobicContact CG2-CG1 4.41Å; W955-V957 PolarHBondContact O-N 3.03Å; V957-F959 PolarHBondContact O-N 2.94Å; V957-V960 PolarHBondContact O-N 3.37Å; V957-V961 HydrophobicContact CG1-CG2 4.3Å; V957-V961 WeakPolarHBondContact O-CG2 3.41Å |
| 958 | P | 40.9 | Very low | 49.6 | Very low | 26 Ų | 26 | 97.9 Ų | 97.9 | 17% | 0.169 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -63.5 | -38.5 | -171.4 | -23.6 | 35.2 | 0 | 0 | 0 | 114.8 | E942 W955 V960 V961 | E942-P958 WeakPolarHBondContact OE2-CB 3.44Å; E942-P958 WeakPolarHBondContact OE2-CG 3.32Å; W955-P958 HydrophobicContact CE3-CG 4.28Å; W955-P958 WeakPolarHBondContact O-CD 3.48Å; P958-V960 PolarHBondContact O-N 2.48Å; P958-V961 PolarHBondContact O-N 3.37Å |
| 959 | F | 42.7 | Very low | 52.1 | Low | 145 Ų | 145 | 89 Ų | 89 | 64% | 0.636 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -65 | -35.7 | -179.5 | -174.7 | -103.7 | 0 | 0 | 0 | 113 | V957 V961 | V957-F959 PolarHBondContact O-N 2.94Å; F959-V961 VanDerWaalsContact C-N 3.28Å; F959-V961 PolarHBondContact O-N 2.89Å |
| 960 | V | 48.7 | Very low | 54.2 | Low | 53 Ų | 53 | 81 Ų | 81 | 32% | 0.321 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.7 | -29.8 | 177.6 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | V880 K956 V957 P958 Q963 I964 | V880-V960 HydrophobicContact CG1-CG1 4.32Å; K956-V960 WeakPolarHBondContact O-CG2 3.32Å; V957-V960 PolarHBondContact O-N 3.37Å; P958-V960 PolarHBondContact O-N 2.48Å; V960-Q963 PolarHBondContact O-N 3.42Å; V960-I964 HydrophobicContact CG1-CD1 4.12Å; V960-I964 PolarHBondContact O-N 2.93Å |
| 961 | V | 51.9 | Low | 56.4 | Low | 2 Ų | 2 | 77.6 Ų | 77.6 | 1% | 0.012 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -79 | -29.5 | -169.8 | -153.7 | 0 | 0 | 0 | 0 | 113.8 | V880 L883 V939 V957 P958 F959 P965 | V880-V961 HydrophobicContact CG2-CB 4.36Å; V880-V961 HydrophobicContact CG2-CG1 4.11Å; V880-V961 HydrophobicContact CG2-CG2 3.54Å; L883-V961 HydrophobicContact CD1-CG1 3.85Å; V939-V961 HydrophobicContact CB-CG1 4.22Å; V939-V961 HydrophobicContact CG1-CB 3.77Å; V939-V961 HydrophobicContact CG1-CG1 3.24Å; V939-V961 HydrophobicContact CG2-CB 4.42Å; V939-V961 HydrophobicContact CG2-CG1 3.98Å; V939-V961 HydrophobicContact CG2-CG2 4.32Å; V957-V961 HydrophobicContact CG1-CG2 4.3Å; V957-V961 WeakPolarHBondContact O-CG2 3.41Å; P958-V961 PolarHBondContact O-N 3.37Å; F959-V961 VanDerWaalsContact C-N 3.28Å; F959-V961 PolarHBondContact O-N 2.89Å; V961-P965 WeakPolarHBondContact O-CD 3.44Å; V961-P965 WeakPolarHBondContact O-CG 3.21Å |
| 962 | R | 59.8 | Low | 58.7 | Low | 42 Ų | 42 | 70.6 Ų | 70.6 | 16% | 0.158 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -76.7 | -26.2 | 170 | -81.4 | -171.3 | 176 | -148.4 | -0.9 | 112.8 | I940 I964 F966 | I940-R962 PolarHBondContact O-NE 2.95Å; I940-R962 VanDerWaalsContact O-NE 3.17Å; I940-R962 PolarHBondContact O-NH2 3.14Å; R962-I964 VanDerWaalsContact C-N 3.34Å; R962-I964 PolarHBondContact O-N 3.23Å; R962-F966 PolarHBondContact O-N 2.89Å |
| 963 | Q | 66.8 | Low | 60.9 | Low | 77 Ų | 77 | 65.6 Ų | 65.6 | 36% | 0.36 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.3 | -32.5 | 177.6 | -73.4 | -167.9 | -0.6 | 0 | 0 | 112.9 | V960 F966 K967 | V960-Q963 PolarHBondContact O-N 3.42Å; Q963-F966 PolarHBondContact O-N 2.89Å; Q963-K967 WeakPolarHBondContact O-CB 3.44Å; Q963-K967 VanDerWaalsContact O-CG 3.29Å; Q963-K967 WeakPolarHBondContact O-CG 3.44Å; Q963-K967 PolarHBondContact O-N 3.46Å |
| 964 | I | 73.8 | Confident | 62.4 | Low | 8 Ų | 8 | 57.2 Ų | 57.2 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.8 | -51.8 | -176.6 | -59.8 | 156.5 | 0 | 0 | 0 | 111.6 | V880 L883 Q884 L887 V960 R962 F966 K967 I968 | V880-I964 HydrophobicContact CG1-CD1 3.92Å; L883-I964 HydrophobicContact CB-CB 4.36Å; L883-I964 HydrophobicContact CB-CD1 4.33Å; L883-I964 HydrophobicContact CB-CG2 3.73Å; L883-I964 WeakPolarHBondContact O-CG2 3.4Å; Q884-I964 HydrophobicContact CG-CD1 3.62Å; Q884-I964 HydrophobicContact CG-CG1 4.2Å; L887-I964 HydrophobicContact CB-CG2 4.36Å; V960-I964 HydrophobicContact CG1-CD1 4.12Å; V960-I964 PolarHBondContact O-N 2.93Å; R962-I964 VanDerWaalsContact C-N 3.34Å; R962-I964 PolarHBondContact O-N 3.23Å; I964-F966 PolarHBondContact O-N 2.89Å; I964-K967 WeakPolarHBondContact O-CB 3.44Å; I964-K967 PolarHBondContact O-N 2.9Å; I964-I968 HydrophobicContact CG2-CD1 3.99Å; I964-I968 HydrophobicContact CG2-CG1 4.37Å; I964-I968 WeakPolarHBondContact O-CG1 3.42Å; I964-I968 PolarHBondContact O-N 3.08Å |
| 965 | P | 77.1 | Confident | 64 | Low | 12 Ų | 12 | 49.5 Ų | 49.5 | 8% | 0.078 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.3 | -37.1 | 171.6 | -28 | 37.6 | 0 | 0 | 0 | 112.9 | V961 I968 L969 L994 L998 | V961-P965 WeakPolarHBondContact O-CD 3.44Å; V961-P965 WeakPolarHBondContact O-CG 3.21Å; P965-I968 PolarHBondContact O-N 2.92Å; P965-L969 WeakPolarHBondContact O-CB 3.02Å; P965-L969 PolarHBondContact O-N 3.24Å; P965-L994 HydrophobicContact CB-CD2 3.95Å; P965-L998 HydrophobicContact CB-CD1 3.87Å |
| 966 | F | 77.3 | Confident | 66 | Low | 53 Ų | 53 | 40.4 Ų | 40.4 | 23% | 0.232 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.1 | -44.3 | 173.6 | 176.4 | -104.2 | 0 | 0 | 0 | 112.4 | R962 Q963 I964 I968 L969 S970 L998 Y1001 L1005 | R962-F966 PolarHBondContact O-N 2.89Å; Q963-F966 PolarHBondContact O-N 2.89Å; I964-F966 PolarHBondContact O-N 2.89Å; F966-I968 VanDerWaalsContact C-N 3.32Å; F966-I968 PolarHBondContact O-N 3.31Å; F966-L969 PolarHBondContact O-N 3.44Å; F966-S970 WeakPolarHBondContact O-CB 3.35Å; F966-S970 PolarHBondContact O-N 3.43Å; F966-L998 HydrophobicContact CB-CD1 4.23Å; F966-Y1001 HydrophobicContact CD2-CD1 4.23Å; F966-Y1001 HydrophobicContact CD2-CG 4.13Å; F966-Y1001 HydrophobicContact CE2-CD1 4.48Å; F966-L1005 HydrophobicContact CD2-CD1 4.49Å; F966-L1005 HydrophobicContact CE2-CB 4.06Å; F966-L1005 HydrophobicContact CE2-CD1 3.64Å; F966-L1005 HydrophobicContact CE2-CG 4.5Å; F966-L1005 HydrophobicContact CZ-CB 4.41Å; F966-L1005 HydrophobicContact CZ-CD1 3.75Å |
| 967 | K | 77.8 | Confident | 67.5 | Low | 92 Ų | 92 | 32 Ų | 32 | 40% | 0.4 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.4 | -37.9 | 174.3 | -75.4 | 177.4 | 179.9 | -173.4 | 0 | 112.1 | L887 Q963 I964 S970 S971 | L887-K967 HydrophobicContact CD1-CB 4.03Å; L887-K967 HydrophobicContact CD2-CB 3.8Å; L887-K967 HydrophobicContact CD2-CD 4.04Å; Q963-K967 WeakPolarHBondContact O-CB 3.44Å; Q963-K967 VanDerWaalsContact O-CG 3.29Å; Q963-K967 WeakPolarHBondContact O-CG 3.44Å; Q963-K967 PolarHBondContact O-N 3.46Å; I964-K967 WeakPolarHBondContact O-CB 3.44Å; I964-K967 PolarHBondContact O-N 2.9Å; K967-S970 PolarHBondContact O-N 2.92Å; K967-S971 WeakPolarHBondContact O-CB 3.32Å; K967-S971 PolarHBondContact O-N 3.42Å |
| 968 | I | 82.7 | Confident | 68.5 | Low | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.015 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.7 | -48.2 | 174.2 | -65.6 | 168.9 | 0 | 0 | 0 | 109.6 | L887 V905 I964 P965 F966 S970 S971 L972 L994 | L887-I968 HydrophobicContact CB-CD1 4.41Å; L887-I968 HydrophobicContact CB-CG1 3.87Å; L887-I968 HydrophobicContact CD1-CG1 3.83Å; L887-I968 HydrophobicContact CG-CG1 4.41Å; V905-I968 HydrophobicContact CG1-CG2 4.03Å; V905-I968 HydrophobicContact CG2-CD1 4.43Å; V905-I968 HydrophobicContact CG2-CG2 4.42Å; I964-I968 HydrophobicContact CG2-CD1 3.99Å; I964-I968 HydrophobicContact CG2-CG1 4.37Å; I964-I968 WeakPolarHBondContact O-CG1 3.42Å; I964-I968 PolarHBondContact O-N 3.08Å; P965-I968 PolarHBondContact O-N 2.92Å; F966-I968 VanDerWaalsContact C-N 3.32Å; F966-I968 PolarHBondContact O-N 3.31Å; I968-S970 VanDerWaalsContact C-N 3.35Å; I968-S970 PolarHBondContact O-N 3.28Å; I968-S971 PolarHBondContact O-N 3.46Å; I968-L972 HydrophobicContact CG2-CD1 3.69Å; I968-L972 HydrophobicContact CG2-CG 4.21Å; I968-L972 WeakPolarHBondContact O-CB 3.34Å; I968-L972 VanDerWaalsContact O-CG 3.24Å; I968-L972 WeakPolarHBondContact O-CG 3.37Å; I968-L972 PolarHBondContact O-N 2.92Å; I968-L994 HydrophobicContact CG2-CD1 3.86Å |
| 969 | L | 82.7 | Confident | 69.4 | Low | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.7 | -46.4 | 176.4 | 177.2 | 59.4 | 0 | 0 | 0 | 111.6 | P965 F966 S971 L972 L973 I991 L994 I995 L998 Y1002 | P965-L969 WeakPolarHBondContact O-CB 3.02Å; P965-L969 PolarHBondContact O-N 3.24Å; F966-L969 PolarHBondContact O-N 3.44Å; L969-S971 VanDerWaalsContact C-N 3.35Å; L969-L972 PolarHBondContact O-N 3.37Å; L969-L973 HydrophobicContact CD1-CD1 3.62Å; L969-L973 HydrophobicContact CD1-CG 3.95Å; L969-L973 HydrophobicContact CG-CD1 3.9Å; L969-L973 WeakPolarHBondContact O-CB 3.15Å; L969-L973 WeakPolarHBondContact O-CG 3.21Å; L969-L973 PolarHBondContact O-N 2.73Å; L969-I991 HydrophobicContact CD1-CG2 4.06Å; L969-L994 HydrophobicContact CB-CB 4.09Å; L969-L994 HydrophobicContact CB-CD1 4.13Å; L969-L994 HydrophobicContact CD1-CB 3.84Å; L969-L994 HydrophobicContact CD1-CD1 4.46Å; L969-L994 HydrophobicContact CD2-CB 4.39Å; L969-L994 HydrophobicContact CG-CB 4.32Å; L969-I995 HydrophobicContact CD1-CG1 4.11Å; L969-L998 HydrophobicContact CD2-CD1 4.26Å; L969-Y1002 HydrophobicContact CD2-CD2 4.46Å |
| 970 | S | 77.5 | Confident | 70 | Confident | 17 Ų | 17 | 29.3 Ų | 29.3 | 12% | 0.119 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 177.5 | -175 | 0 | 0 | 0 | 0 | 111.8 | F966 K967 I968 N974 | F966-S970 WeakPolarHBondContact O-CB 3.35Å; F966-S970 PolarHBondContact O-N 3.43Å; K967-S970 PolarHBondContact O-N 2.92Å; I968-S970 VanDerWaalsContact C-N 3.35Å; I968-S970 PolarHBondContact O-N 3.28Å; S970-N974 VanDerWaalsContact O-CB 3.27Å; S970-N974 WeakPolarHBondContact O-CB 3.4Å; S970-N974 VanDerWaalsContact O-CG 3.24Å; S970-N974 PolarHBondContact O-N 3.35Å; S970-N974 PolarHBondContact O-ND2 3.23Å |
| 971 | S | 76.7 | Confident | 70.5 | Confident | 26 Ų | 26 | 27.8 Ų | 27.8 | 18% | 0.182 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.8 | -46.8 | 178.6 | -174.2 | 0 | 0 | 0 | 0 | 111.5 | N891 K967 I968 L969 N974 A975 | N891-S971 VanDerWaalsContact OD1-CB 3.32Å; N891-S971 WeakPolarHBondContact OD1-CB 3.47Å; N891-S971 PolarHBondContact OD1-OG 3.34Å; K967-S971 WeakPolarHBondContact O-CB 3.32Å; K967-S971 PolarHBondContact O-N 3.42Å; I968-S971 PolarHBondContact O-N 3.46Å; L969-S971 VanDerWaalsContact C-N 3.35Å; S971-N974 PolarHBondContact O-N 3.16Å; S971-A975 VanDerWaalsContact O-CB 3.29Å; S971-A975 WeakPolarHBondContact O-CB 3.34Å; S971-A975 PolarHBondContact O-N 3.11Å |
| 972 | L | 81.5 | Confident | 71 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 178.7 | -70.6 | 171 | 0 | 0 | 0 | 112.4 | V890 I968 L969 A975 V976 M987 P990 I991 L994 | V890-L972 HydrophobicContact CG1-CD2 3.46Å; V890-L972 VanDerWaalsContact CG1-CD2 3.46Å; V890-L972 HydrophobicContact CG1-CG 3.9Å; V890-L972 HydrophobicContact CG2-CD2 4.49Å; I968-L972 HydrophobicContact CG2-CD1 3.69Å; I968-L972 HydrophobicContact CG2-CG 4.21Å; I968-L972 WeakPolarHBondContact O-CB 3.34Å; I968-L972 VanDerWaalsContact O-CG 3.24Å; I968-L972 WeakPolarHBondContact O-CG 3.37Å; I968-L972 PolarHBondContact O-N 2.92Å; L969-L972 PolarHBondContact O-N 3.37Å; L972-A975 PolarHBondContact O-N 3.18Å; L972-V976 WeakPolarHBondContact O-CB 3.49Å; L972-V976 WeakPolarHBondContact O-CG2 3.47Å; L972-V976 PolarHBondContact O-N 2.91Å; L972-M987 HydrophobicContact CD2-CB 4.01Å; L972-M987 HydrophobicContact CD2-CG 4.25Å; L972-P990 HydrophobicContact CD1-CB 4.17Å; L972-P990 HydrophobicContact CD1-CG 3.6Å; L972-I991 HydrophobicContact CB-CD1 4.07Å; L972-I991 HydrophobicContact CB-CG1 3.97Å; L972-I991 HydrophobicContact CD1-CG1 4.27Å; L972-L994 HydrophobicContact CD1-CD1 3.71Å |
| 973 | L | 77 | Confident | 71.7 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.4 | -41.2 | 176 | -77.7 | 170.6 | 0 | 0 | 0 | 111.3 | L969 V976 L977 I991 Y1002 L1005 L1009 | L969-L973 HydrophobicContact CD1-CD1 3.62Å; L969-L973 HydrophobicContact CD1-CG 3.95Å; L969-L973 HydrophobicContact CG-CD1 3.9Å; L969-L973 WeakPolarHBondContact O-CB 3.15Å; L969-L973 WeakPolarHBondContact O-CG 3.21Å; L969-L973 PolarHBondContact O-N 2.73Å; L973-V976 PolarHBondContact O-N 3.46Å; L973-L977 HydrophobicContact CB-CD1 4.36Å; L973-L977 HydrophobicContact CD2-CD1 4.29Å; L973-L977 WeakPolarHBondContact O-CB 3.39Å; L973-L977 WeakPolarHBondContact O-CG 3.42Å; L973-L977 PolarHBondContact O-N 3.14Å; L973-I991 HydrophobicContact CD2-CD1 4.16Å; L973-I991 HydrophobicContact CD2-CG2 3.95Å; L973-I991 HydrophobicContact CG-CD1 4.5Å; L973-I991 HydrophobicContact CG-CG2 4.39Å; L973-Y1002 HydrophobicContact CD1-CD2 4.3Å; L973-Y1002 HydrophobicContact CD1-CE2 4.15Å; L973-L1005 HydrophobicContact CB-CD2 4.49Å; L973-L1005 HydrophobicContact CD1-CD2 3.35Å; L973-L1009 HydrophobicContact CB-CD1 4.29Å; L973-L1009 HydrophobicContact CD1-CD1 4.47Å |
| 974 | N | 71.1 | Confident | 72.1 | Confident | 42 Ų | 42 | 32.2 Ų | 32.2 | 23% | 0.225 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.9 | -45.3 | 176.5 | -78.8 | -27.9 | 0 | 0 | 0 | 111.9 | S970 S971 F978 L1009 | S970-N974 VanDerWaalsContact O-CB 3.27Å; S970-N974 WeakPolarHBondContact O-CB 3.4Å; S970-N974 VanDerWaalsContact O-CG 3.24Å; S970-N974 PolarHBondContact O-N 3.35Å; S970-N974 PolarHBondContact O-ND2 3.23Å; S971-N974 PolarHBondContact O-N 3.16Å; N974-F978 HydrophobicContact CB-CD2 4.49Å; N974-F978 WeakPolarHBondContact O-CB 3.37Å; N974-F978 WeakPolarHBondContact O-CD2 3.29Å; N974-F978 PolarHBondContact O-N 3.39Å; N974-L1009 WeakPolarHBondContact OD1-CD2 3.24Å |
| 975 | A | 71 | Confident | 72.4 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 10% | 0.099 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.9 | -52.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | S971 L972 L977 D979 C981 M987 | S971-A975 VanDerWaalsContact O-CB 3.29Å; S971-A975 WeakPolarHBondContact O-CB 3.34Å; S971-A975 PolarHBondContact O-N 3.11Å; L972-A975 PolarHBondContact O-N 3.18Å; A975-L977 PolarHBondContact O-N 2.79Å; A975-D979 WeakPolarHBondContact O-CA 3.13Å; A975-D979 VanDerWaalsContact O-CB 3.25Å; A975-D979 WeakPolarHBondContact O-CB 3.32Å; A975-D979 PolarHBondContact O-N 2.88Å; A975-C981 PolarHBondContact O-SG 3.12Å; A975-M987 HydrophobicContact CB-SD 4.06Å |
| 976 | V | 72.1 | Confident | 72.8 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -72.1 | -31.2 | -173.6 | -174.9 | 0 | 0 | 0 | 0 | 113.4 | L972 L973 C981 H984 M987 I991 I1047 F1051 | L972-V976 WeakPolarHBondContact O-CB 3.49Å; L972-V976 WeakPolarHBondContact O-CG2 3.47Å; L972-V976 PolarHBondContact O-N 2.91Å; L973-V976 PolarHBondContact O-N 3.46Å; V976-C981 WeakPolarHBondContact CA-SG 3.2Å; V976-H984 VanDerWaalsContact CG1-CE1 3.45Å; V976-H984 WeakPolarHBondContact CG1-CE1 3.47Å; V976-H984 VanDerWaalsContact CG1-NE2 3.26Å; V976-H984 WeakPolarHBondContact CG1-NE2 3.31Å; V976-M987 HydrophobicContact CG2-CB 3.67Å; V976-M987 HydrophobicContact CG2-SD 4.44Å; V976-I991 HydrophobicContact CG2-CD1 4.19Å; V976-I1047 HydrophobicContact CB-CG2 4.17Å; V976-I1047 HydrophobicContact CG1-CG2 3.18Å; V976-F1051 WeakPolarHBondContact O-CD2 3.38Å |
| 977 | L | 68 | Low | 73 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -85.7 | -32.9 | -179.7 | -64.7 | 173 | 0 | 0 | 0 | 113.4 | L973 A975 L1009 I1050 | L973-L977 HydrophobicContact CB-CD1 4.36Å; L973-L977 HydrophobicContact CD2-CD1 4.29Å; L973-L977 WeakPolarHBondContact O-CB 3.39Å; L973-L977 WeakPolarHBondContact O-CG 3.42Å; L973-L977 PolarHBondContact O-N 3.14Å; A975-L977 PolarHBondContact O-N 2.79Å; L977-L1009 HydrophobicContact CD1-CD1 3.8Å; L977-I1050 HydrophobicContact CD2-CB 4.01Å; L977-I1050 HydrophobicContact CD2-CG2 3.39Å |
| 978 | F | 62.1 | Low | 73.3 | Confident | 35 Ų | 35 | 32 Ų | 32 | 15% | 0.154 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -119.1 | -17.8 | -171.1 | -54.3 | -80.4 | 0 | 0 | 0 | 115.1 | G117 N974 L1009 L1013 | G117-F978 WeakPolarHBondContact CA-O 3.45Å; N974-F978 HydrophobicContact CB-CD2 4.49Å; N974-F978 WeakPolarHBondContact O-CB 3.37Å; N974-F978 WeakPolarHBondContact O-CD2 3.29Å; N974-F978 PolarHBondContact O-N 3.39Å; F978-L1009 HydrophobicContact CE2-CD2 3.79Å; F978-L1009 HydrophobicContact CZ-CD2 4.22Å; F978-L1013 HydrophobicContact CE1-CD2 3.65Å; F978-L1013 HydrophobicContact CE1-CG 4.18Å; F978-L1013 HydrophobicContact CZ-CD2 4.34Å; F978-L1013 HydrophobicContact CZ-CG 4.44Å |
| 979 | D | 58.6 | Low | 73.4 | Confident | 30 Ų | 30 | 34.8 Ų | 34.8 | 16% | 0.16 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -102.2 | 151 | 176.8 | -78.9 | -26.9 | 0 | 0 | 0 | 112.9 | L115 V116 G117 A975 C981 F1051 | L115-D979 WeakPolarHBondContact CA-OD1 3.35Å; L115-D979 WeakPolarHBondContact CB-OD1 3.43Å; L115-D979 WeakPolarHBondContact CD2-OD2 3.43Å; V116-D979 PolarHBondContact N-OD1 3.1Å; G117-D979 PolarHBondContact N-OD1 2.72Å; A975-D979 WeakPolarHBondContact O-CA 3.13Å; A975-D979 VanDerWaalsContact O-CB 3.25Å; A975-D979 WeakPolarHBondContact O-CB 3.32Å; A975-D979 PolarHBondContact O-N 2.88Å; D979-C981 VanDerWaalsContact C-N 3.25Å; D979-C981 PolarHBondContact O-N 3.15Å; D979-F1051 WeakPolarHBondContact O-CE2 3.48Å |
| 980 | E | 56.2 | Low | 73.6 | Confident | 102 Ų | 102 | 34.8 Ų | 34.8 | 48% | 0.477 | 16% | 0.164 | S | C | . | . | trans | -69.1 | 85.8 | 163.1 | -72.6 | -169.8 | 170.1 | 0 | 0 | 109.6 | R982 | E980-R982 PolarHBondContact O-N 2.63Š| ||
| 981 | C | 59.6 | Low | 74 | Confident | 22 Ų | 22 | 34 Ų | 34 | 15% | 0.149 | 16% | 0.158 | C | C | . | . | trans | -64.6 | 109.2 | 179.5 | -73.8 | 0 | 0 | 0 | 0 | 112.1 | A975 V976 D979 C983 H984 M987 | A975-C981 PolarHBondContact O-SG 3.12Å; V976-C981 WeakPolarHBondContact CA-SG 3.2Å; D979-C981 VanDerWaalsContact C-N 3.25Å; D979-C981 PolarHBondContact O-N 3.15Å; C981-C983 PolarHBondContact O-N 2.63Å; C981-C983 VanDerWaalsContact O-N 3.1Å; C981-H984 HydrophobicContact CB-CB 3.97Å; C981-H984 PolarHBondContact O-N 2.94Å; C981-M987 HydrophobicContact CB-SD 4.02Å; C981-M987 PolarHBondContact SG-SD 3.2Å | ||
| 982 | R | 62.1 | Low | 74.4 | Confident | 176 Ų | 176 | 32.9 Ų | 32.9 | 66% | 0.664 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -27.3 | 171 | -62.6 | 179.9 | -178 | 173 | -1 | 113.4 | T895 E980 | T895-R982 HydrophobicContact CG2-CB 4.42Å; T895-R982 WeakPolarHBondContact OG1-CD 3.4Å; E980-R982 PolarHBondContact O-N 2.63Å |
| 983 | C | 73.2 | Confident | 74.4 | Confident | 14 Ų | 14 | 32.9 Ų | 32.9 | 10% | 0.095 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.1 | 52.7 | 179.9 | 57.8 | 0 | 0 | 0 | 0 | 112.2 | T895 V898 I899 C981 Y985 S986 M987 | T895-C983 HydrophobicContact CG2-CB 4.17Å; V898-C983 VanDerWaalsContact CG1-SG 3.57Å; I899-C983 HydrophobicContact CD1-CB 4.36Å; I899-C983 HydrophobicContact CG1-CB 3.94Å; C981-C983 PolarHBondContact O-N 2.63Å; C981-C983 VanDerWaalsContact O-N 3.1Å; C983-Y985 PolarHBondContact O-N 2.81Å; C983-Y985 VanDerWaalsContact O-N 3.09Å; C983-S986 PolarHBondContact O-N 3.43Å; C983-M987 PolarHBondContact O-N 3.19Å; C983-M987 VanDerWaalsContact O-N 3.09Å |
| 984 | H | 75.4 | Confident | 74.8 | Confident | 23 Ų | 23 | 32.9 Ų | 32.9 | 11% | 0.106 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -47 | -42.6 | -178.2 | -171.4 | -57.8 | 0 | 0 | 0 | 113.2 | V976 C981 S988 Q1048 | V976-H984 VanDerWaalsContact CG1-CE1 3.45Å; V976-H984 WeakPolarHBondContact CG1-CE1 3.47Å; V976-H984 VanDerWaalsContact CG1-NE2 3.26Å; V976-H984 WeakPolarHBondContact CG1-NE2 3.31Å; C981-H984 HydrophobicContact CB-CB 3.97Å; C981-H984 PolarHBondContact O-N 2.94Å; H984-S988 PolarHBondContact CE1-OG 3.2Å; H984-S988 PolarHBondContact ND1-OG 2.94Å; H984-S988 VanDerWaalsContact O-CB 3.25Å; H984-S988 WeakPolarHBondContact O-CB 3.19Å; H984-S988 PolarHBondContact O-N 2.98Å; H984-S988 PolarHBondContact O-OG 3.19Å; H984-Q1048 WeakPolarHBondContact CE1-CG 2.96Å |
| 985 | Y | 81.7 | Confident | 75.3 | Confident | 111 Ų | 111 | 31.1 Ų | 31.1 | 44% | 0.435 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -58.7 | -53.9 | 177.9 | -175.8 | -103.1 | 0 | 0 | 0 | 112 | C983 M987 S988 R989 D1041 V1044 | C983-Y985 PolarHBondContact O-N 2.81Å; C983-Y985 VanDerWaalsContact O-N 3.09Å; Y985-M987 PolarHBondContact O-N 3.25Å; Y985-S988 PolarHBondContact O-N 3.22Å; Y985-R989 HydrophobicContact CE1-CG 4.35Å; Y985-R989 WeakPolarHBondContact O-CG 3.43Å; Y985-R989 PolarHBondContact O-N 3.2Å; Y985-R989 PolarHBondContact OH-NH1 3.2Å; Y985-D1041 PolarHBondContact OH-OD1 3.21Å; Y985-D1041 VanDerWaalsContact OH-OD1 3.13Å; Y985-V1044 HydrophobicContact CD2-CG1 4.1Å |
| 986 | S | 83.7 | Confident | 75.7 | Confident | 27 Ų | 27 | 31.2 Ų | 31.2 | 19% | 0.189 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.1 | -42.7 | -177.6 | -55.7 | 0 | 0 | 0 | 0 | 112.3 | C902 C983 P990 | C902-S986 VanDerWaalsContact CB-O 3.28Å; C902-S986 WeakPolarHBondContact CB-O 3.34Å; C983-S986 PolarHBondContact O-N 3.43Å; S986-P990 WeakPolarHBondContact O-CD 3.32Å |
| 987 | M | 83.1 | Confident | 75.9 | Confident | 22 Ų | 22 | 32.1 Ų | 32.1 | 11% | 0.108 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.9 | -33.2 | 178.6 | -70.4 | -178 | 168.9 | 0 | 0 | 113 | V898 L972 A975 V976 C981 C983 Y985 P990 | V898-M987 HydrophobicContact CG1-CE 3.49Å; V898-M987 VanDerWaalsContact CG1-CE 3.49Å; V898-M987 HydrophobicContact CG1-CG 4.04Å; L972-M987 HydrophobicContact CD2-CB 4.01Å; L972-M987 HydrophobicContact CD2-CG 4.25Å; A975-M987 HydrophobicContact CB-SD 4.06Å; V976-M987 HydrophobicContact CG2-CB 3.67Å; V976-M987 HydrophobicContact CG2-SD 4.44Å; C981-M987 HydrophobicContact CB-SD 4.02Å; C981-M987 PolarHBondContact SG-SD 3.2Å; C983-M987 PolarHBondContact O-N 3.19Å; C983-M987 VanDerWaalsContact O-N 3.09Å; Y985-M987 PolarHBondContact O-N 3.25Å; M987-P990 WeakPolarHBondContact O-CD 3.36Å; M987-P990 WeakPolarHBondContact O-CG 3.1Å |
| 988 | S | 83.4 | Confident | 76.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -77.7 | -32.2 | -176.3 | -60.3 | 0 | 0 | 0 | 0 | 113.5 | H984 Y985 I991 | H984-S988 PolarHBondContact CE1-OG 3.2Å; H984-S988 PolarHBondContact ND1-OG 2.94Å; H984-S988 VanDerWaalsContact O-CB 3.25Å; H984-S988 WeakPolarHBondContact O-CB 3.19Å; H984-S988 PolarHBondContact O-N 2.98Å; H984-S988 PolarHBondContact O-OG 3.19Å; Y985-S988 PolarHBondContact O-N 3.22Å; S988-I991 WeakPolarHBondContact O-CB 3.48Å; S988-I991 PolarHBondContact O-N 3.4Å; S988-I991 VanDerWaalsContact O-N 3.1Å |
| 989 | R | 84.7 | Confident | 76.8 | Confident | 62 Ų | 62 | 33.9 Ų | 33.9 | 23% | 0.234 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -52.6 | -47.7 | -178 | -77.8 | -179.5 | 67.2 | 98.8 | 8.9 | 115.4 | D906 Y985 I991 V1044 | D906-R989 IonicContact OD2-CZ 4Å; D906-R989 IonicContact OD2-NE 3.37Å; D906-R989 PolarHBondContact OD2-NE 3.35Å; D906-R989 IonicContact OD2-NH2 2.94Å; D906-R989 PolarHBondContact OD2-NH2 2.93Å; D906-R989 VanDerWaalsContact OD2-NH2 3.1Å; Y985-R989 HydrophobicContact CE1-CG 4.35Å; Y985-R989 WeakPolarHBondContact O-CG 3.43Å; Y985-R989 PolarHBondContact O-N 3.2Å; Y985-R989 PolarHBondContact OH-NH1 3.2Å; R989-I991 VanDerWaalsContact C-N 3.25Å; R989-I991 PolarHBondContact O-N 3.29Å; R989-V1044 HydrophobicContact CG-CG2 4.17Å |
| 990 | P | 87.5 | Confident | 77.4 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.2 | -17.9 | 179.1 | 23.6 | -33.8 | 0 | 0 | 0 | 114.5 | C902 V905 D906 L972 S986 M987 L992 G993 L994 | C902-P990 HydrophobicContact CB-CG 4.49Å; V905-P990 HydrophobicContact CB-CB 4.2Å; V905-P990 HydrophobicContact CG1-CB 3.63Å; V905-P990 HydrophobicContact CG1-CG 4.42Å; D906-P990 HydrophobicContact CB-CB 4.2Å; L972-P990 HydrophobicContact CD1-CB 4.17Å; L972-P990 HydrophobicContact CD1-CG 3.6Å; S986-P990 WeakPolarHBondContact O-CD 3.32Å; M987-P990 WeakPolarHBondContact O-CD 3.36Å; M987-P990 WeakPolarHBondContact O-CG 3.1Å; P990-L992 PolarHBondContact O-N 2.67Å; P990-G993 PolarHBondContact O-N 2.84Å; P990-L994 HydrophobicContact CB-CD1 4.31Å; P990-L994 WeakPolarHBondContact O-CG 3.49Å; P990-L994 PolarHBondContact O-N 3.12Å |
| 991 | I | 86.1 | Confident | 78 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62 | -46 | -171.3 | -65.6 | 178 | 0 | 0 | 0 | 111.6 | L969 L972 L973 V976 S988 R989 G993 L994 I995 I1047 | L969-I991 HydrophobicContact CD1-CG2 4.06Å; L972-I991 HydrophobicContact CB-CD1 4.07Å; L972-I991 HydrophobicContact CB-CG1 3.97Å; L972-I991 HydrophobicContact CD1-CG1 4.27Å; L973-I991 HydrophobicContact CD2-CD1 4.16Å; L973-I991 HydrophobicContact CD2-CG2 3.95Å; L973-I991 HydrophobicContact CG-CD1 4.5Å; L973-I991 HydrophobicContact CG-CG2 4.39Å; V976-I991 HydrophobicContact CG2-CD1 4.19Å; S988-I991 WeakPolarHBondContact O-CB 3.48Å; S988-I991 PolarHBondContact O-N 3.4Å; S988-I991 VanDerWaalsContact O-N 3.1Å; R989-I991 VanDerWaalsContact C-N 3.25Å; R989-I991 PolarHBondContact O-N 3.29Å; I991-G993 VanDerWaalsContact C-N 3.3Å; I991-G993 PolarHBondContact O-N 3.14Å; I991-L994 PolarHBondContact O-N 2.86Å; I991-L994 VanDerWaalsContact O-N 3.1Å; I991-I995 HydrophobicContact CG2-CD1 3.61Å; I991-I995 HydrophobicContact CG2-CG1 4.06Å; I991-I995 VanDerWaalsContact O-CG1 3.31Å; I991-I995 WeakPolarHBondContact O-CG1 3.47Å; I991-I995 PolarHBondContact O-N 3.43Å; I991-I1047 HydrophobicContact CB-CD1 4.08Å; I991-I1047 HydrophobicContact CD1-CD1 3.77Å; I991-I1047 HydrophobicContact CG2-CD1 3.86Å |
| 992 | L | 84 | Confident | 78.7 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.9 | -44.8 | 178.5 | -177 | 61 | 0 | 0 | 0 | 111.7 | P990 L994 I995 L996 L1031 L1035 N1039 K1040 C1043 | P990-L992 PolarHBondContact O-N 2.67Å; L992-L994 VanDerWaalsContact C-N 3.31Å; L992-L994 PolarHBondContact O-N 3.38Å; L992-I995 PolarHBondContact O-N 3.38Å; L992-L996 HydrophobicContact CD1-CD1 4.39Å; L992-L996 HydrophobicContact CD1-CG 4.35Å; L992-L996 HydrophobicContact CG-CD1 4.34Å; L992-L996 WeakPolarHBondContact O-CG 3.19Å; L992-L996 PolarHBondContact O-N 3.18Å; L992-L1031 HydrophobicContact CD1-CB 4.44Å; L992-L1031 HydrophobicContact CD1-CD1 3.94Å; L992-L1035 HydrophobicContact CB-CD2 4.35Å; L992-L1035 HydrophobicContact CD2-CD2 4.02Å; L992-L1035 HydrophobicContact CG-CD2 3.83Å; L992-N1039 HydrophobicContact CD2-CB 4.03Å; L992-K1040 HydrophobicContact CD2-CG 4.16Å; L992-C1043 HydrophobicContact CB-CB 4.01Å; L992-C1043 HydrophobicContact CD1-CB 4.46Å; L992-C1043 HydrophobicContact CD2-CB 4.22Å; L992-C1043 HydrophobicContact CG-CB 4.46Å |
| 993 | G | 82.3 | Confident | 79.3 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.5 | -41.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V909 P990 I991 L997 | V909-G993 WeakPolarHBondContact CG1-O 3.2Å; P990-G993 PolarHBondContact O-N 2.84Å; I991-G993 VanDerWaalsContact C-N 3.3Å; I991-G993 PolarHBondContact O-N 3.14Å; G993-L997 WeakPolarHBondContact O-CB 3.46Å; G993-L997 PolarHBondContact O-N 3.44Å |
| 994 | L | 84.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70.4 | -39.6 | 179.8 | -72.9 | 167.4 | 0 | 0 | 0 | 112.2 | V905 V909 P965 I968 L969 L972 P990 I991 L992 L997 L998 | V905-L994 HydrophobicContact CG1-CD1 4.28Å; V909-L994 HydrophobicContact CG1-CD2 4.22Å; V909-L994 HydrophobicContact CG1-CG 4.24Å; V909-L994 HydrophobicContact CG2-CD2 3.66Å; V909-L994 HydrophobicContact CG2-CG 4.13Å; P965-L994 HydrophobicContact CB-CD2 3.95Å; I968-L994 HydrophobicContact CG2-CD1 3.86Å; L969-L994 HydrophobicContact CB-CB 4.09Å; L969-L994 HydrophobicContact CB-CD1 4.13Å; L969-L994 HydrophobicContact CD1-CB 3.84Å; L969-L994 HydrophobicContact CD1-CD1 4.46Å; L969-L994 HydrophobicContact CD2-CB 4.39Å; L969-L994 HydrophobicContact CG-CB 4.32Å; L972-L994 HydrophobicContact CD1-CD1 3.71Å; P990-L994 HydrophobicContact CB-CD1 4.31Å; P990-L994 WeakPolarHBondContact O-CG 3.49Å; P990-L994 PolarHBondContact O-N 3.12Å; I991-L994 PolarHBondContact O-N 2.86Å; I991-L994 VanDerWaalsContact O-N 3.1Å; L992-L994 VanDerWaalsContact C-N 3.31Å; L992-L994 PolarHBondContact O-N 3.38Å; L994-L997 PolarHBondContact O-N 2.88Å; L994-L998 VanDerWaalsContact O-CB 3.27Å; L994-L998 WeakPolarHBondContact O-CB 3.17Å; L994-L998 WeakPolarHBondContact O-CG 3.23Å; L994-L998 PolarHBondContact O-N 3.17Å |
| 995 | I | 81.8 | Confident | 78.9 | Confident | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.1 | -50.4 | 174.9 | -69.5 | 173.4 | 0 | 0 | 0 | 109.8 | L969 I991 L992 L997 L998 E999 Y1002 | L969-I995 HydrophobicContact CD1-CG1 4.11Å; I991-I995 HydrophobicContact CG2-CD1 3.61Å; I991-I995 HydrophobicContact CG2-CG1 4.06Å; I991-I995 VanDerWaalsContact O-CG1 3.31Å; I991-I995 WeakPolarHBondContact O-CG1 3.47Å; I991-I995 PolarHBondContact O-N 3.43Å; L992-I995 PolarHBondContact O-N 3.38Å; I995-L997 VanDerWaalsContact C-N 3.29Å; I995-L997 PolarHBondContact O-N 3.4Å; I995-L998 CarbonylContact O-C 3.58Å; I995-L998 PolarHBondContact O-N 3.2Å; I995-E999 PolarHBondContact O-N 3.31Å; I995-E999 VanDerWaalsContact O-N 3.11Å; I995-Y1002 HydrophobicContact CD1-CD2 4.1Å; I995-Y1002 HydrophobicContact CD1-CE2 3.68Å; I995-Y1002 HydrophobicContact CG1-CD2 3.7Å; I995-Y1002 HydrophobicContact CG1-CE2 3.84Å; I995-Y1002 HydrophobicContact CG1-CG 4.18Å; I995-Y1002 HydrophobicContact CG2-CD1 4.02Å; I995-Y1002 HydrophobicContact CG2-CD2 4.38Å; I995-Y1002 HydrophobicContact CG2-CE1 4.31Å; I995-Y1002 HydrophobicContact CG2-CG 4.04Å |
| 996 | L | 79.3 | Confident | 78.5 | Confident | 13 Ų | 13 | 32.6 Ų | 32.6 | 7% | 0.068 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.2 | -30.2 | -178.8 | -67.3 | -178.5 | 0 | 0 | 0 | 112.9 | Y913 L992 L1035 | Y913-L996 HydrophobicContact CD2-CB 3.8Å; Y913-L996 HydrophobicContact CE1-CD1 4.46Å; Y913-L996 HydrophobicContact CE2-CB 3.54Å; Y913-L996 HydrophobicContact CE2-CD1 3.99Å; Y913-L996 HydrophobicContact CE2-CG 4.33Å; L992-L996 HydrophobicContact CD1-CD1 4.39Å; L992-L996 HydrophobicContact CD1-CG 4.35Å; L992-L996 HydrophobicContact CG-CD1 4.34Å; L992-L996 WeakPolarHBondContact O-CG 3.19Å; L992-L996 PolarHBondContact O-N 3.18Å; L996-L1035 HydrophobicContact CD1-CD2 3.8Å; L996-L1035 HydrophobicContact CD1-CG 4.25Å |
| 997 | L | 76.1 | Confident | 78 | Confident | 19 Ų | 19 | 37 Ų | 37 | 10% | 0.099 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -78.4 | -25.3 | 176.1 | -168.2 | 69.2 | 0 | 0 | 0 | 112.8 | V909 I940 G993 L994 I995 | V909-L997 HydrophobicContact CG1-CD2 4.39Å; I940-L997 HydrophobicContact CD1-CD1 4.17Å; I940-L997 HydrophobicContact CG2-CD1 4.31Å; G993-L997 WeakPolarHBondContact O-CB 3.46Å; G993-L997 PolarHBondContact O-N 3.44Å; L994-L997 PolarHBondContact O-N 2.88Å; I995-L997 VanDerWaalsContact C-N 3.29Å; I995-L997 PolarHBondContact O-N 3.4Å |
| 998 | L | 76.3 | Confident | 77.1 | Confident | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | trans | -127.2 | 37.4 | -169.7 | -56.7 | 171 | 0 | 0 | 0 | 113.2 | P965 F966 L969 L994 I995 D1000 Y1001 Y1002 | P965-L998 HydrophobicContact CB-CD1 3.87Å; F966-L998 HydrophobicContact CB-CD1 4.23Å; L969-L998 HydrophobicContact CD2-CD1 4.26Å; L994-L998 VanDerWaalsContact O-CB 3.27Å; L994-L998 WeakPolarHBondContact O-CB 3.17Å; L994-L998 WeakPolarHBondContact O-CG 3.23Å; L994-L998 PolarHBondContact O-N 3.17Å; I995-L998 CarbonylContact O-C 3.58Å; I995-L998 PolarHBondContact O-N 3.2Å; L998-D1000 VanDerWaalsContact C-N 3.31Å; L998-D1000 PolarHBondContact O-N 2.87Å; L998-Y1001 HydrophobicContact CB-CD2 4.4Å; L998-Y1001 HydrophobicContact CD2-CD2 4.28Å; L998-Y1001 PolarHBondContact O-N 2.88Å; L998-Y1002 PolarHBondContact O-N 2.94Å | ||
| 999 | E | 72.7 | Confident | 76.3 | Confident | 74 Ų | 74 | 40.9 Ų | 40.9 | 35% | 0.346 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -47.9 | -48.7 | -174.1 | -66.1 | -175.1 | 164.1 | 0 | 0 | 113.1 | I995 Y1001 Y1002 S1003 R1033 | I995-E999 PolarHBondContact O-N 3.31Å; I995-E999 VanDerWaalsContact O-N 3.11Å; E999-Y1001 VanDerWaalsContact C-N 3.26Å; E999-Y1001 PolarHBondContact O-N 2.7Å; E999-Y1002 PolarHBondContact O-N 3.4Å; E999-S1003 PolarHBondContact O-N 2.78Å; E999-S1003 VanDerWaalsContact O-N 3.17Å; E999-S1003 PolarHBondContact O-OG 3.4Å; E999-R1033 IonicContact OE1-NH2 3.17Å |
| 1000 | D | 70.9 | Confident | 75.5 | Confident | 123 Ų | 123 | 38.9 Ų | 38.9 | 66% | 0.658 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -58.1 | -35.4 | 179.6 | -64.7 | -33.3 | 0 | 0 | 0 | 113.4 | L998 | L998-D1000 VanDerWaalsContact C-N 3.31Å; L998-D1000 PolarHBondContact O-N 2.87Å |
| 1001 | Y | 70.1 | Confident | 74.5 | Confident | 55 Ų | 55 | 44.3 Ų | 44.3 | 22% | 0.216 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -86.1 | -34.1 | -178.4 | -65.2 | -88 | 0 | 0 | 0 | 111.8 | F966 L998 E999 S1003 R1004 L1005 | F966-Y1001 HydrophobicContact CD2-CD1 4.23Å; F966-Y1001 HydrophobicContact CD2-CG 4.13Å; F966-Y1001 HydrophobicContact CE2-CD1 4.48Å; L998-Y1001 HydrophobicContact CB-CD2 4.4Å; L998-Y1001 HydrophobicContact CD2-CD2 4.28Å; L998-Y1001 PolarHBondContact O-N 2.88Å; E999-Y1001 VanDerWaalsContact C-N 3.26Å; E999-Y1001 PolarHBondContact O-N 2.7Å; Y1001-S1003 VanDerWaalsContact C-N 3.31Å; Y1001-S1003 PolarHBondContact O-N 3Å; Y1001-R1004 PolarHBondContact O-N 3.4Å; Y1001-L1005 WeakPolarHBondContact O-CB 3.37Å; Y1001-L1005 PolarHBondContact O-N 3.11Å |
| 1002 | Y | 74.2 | Confident | 73.3 | Confident | 6 Ų | 6 | 48 Ų | 48 | 2% | 0.024 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.2 | -41.2 | 174.7 | 175 | -104 | 0 | 0 | 0 | 111.2 | L969 L973 I995 L998 E999 R1004 L1005 K1006 M1025 T1029 | L969-Y1002 HydrophobicContact CD2-CD2 4.46Å; L973-Y1002 HydrophobicContact CD1-CD2 4.3Å; L973-Y1002 HydrophobicContact CD1-CE2 4.15Å; I995-Y1002 HydrophobicContact CD1-CD2 4.1Å; I995-Y1002 HydrophobicContact CD1-CE2 3.68Å; I995-Y1002 HydrophobicContact CG1-CD2 3.7Å; I995-Y1002 HydrophobicContact CG1-CE2 3.84Å; I995-Y1002 HydrophobicContact CG1-CG 4.18Å; I995-Y1002 HydrophobicContact CG2-CD1 4.02Å; I995-Y1002 HydrophobicContact CG2-CD2 4.38Å; I995-Y1002 HydrophobicContact CG2-CE1 4.31Å; I995-Y1002 HydrophobicContact CG2-CG 4.04Å; L998-Y1002 PolarHBondContact O-N 2.94Å; E999-Y1002 PolarHBondContact O-N 3.4Å; Y1002-R1004 VanDerWaalsContact C-N 3.27Å; Y1002-R1004 PolarHBondContact O-N 2.91Å; Y1002-L1005 PolarHBondContact O-N 3.45Å; Y1002-K1006 VanDerWaalsContact O-CB 3.31Å; Y1002-K1006 WeakPolarHBondContact O-CB 3.44Å; Y1002-K1006 PolarHBondContact O-N 3.43Å; Y1002-M1025 HydrophobicContact CE2-CE 3.72Å; Y1002-M1025 VanDerWaalsContact OH-CE 3.32Å; Y1002-M1025 WeakPolarHBondContact OH-CE 3.45Å; Y1002-M1025 PolarHBondContact OH-O 3.46Å; Y1002-M1025 VanDerWaalsContact OH-O 3.05Å; Y1002-T1029 HydrophobicContact CD1-CG2 4.18Å; Y1002-T1029 HydrophobicContact CE1-CG2 3.5Å |
| 1003 | S | 74.1 | Confident | 72.3 | Confident | 73 Ų | 73 | 48.6 Ų | 48.6 | 51% | 0.51 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.2 | -38.9 | 175.8 | -57.9 | 0 | 0 | 0 | 0 | 112.7 | E999 Y1001 L1007 | E999-S1003 PolarHBondContact O-N 2.78Å; E999-S1003 VanDerWaalsContact O-N 3.17Å; E999-S1003 PolarHBondContact O-OG 3.4Å; Y1001-S1003 VanDerWaalsContact C-N 3.31Å; Y1001-S1003 PolarHBondContact O-N 3Å; S1003-L1007 PolarHBondContact O-N 3.01Å |
| 1004 | R | 71.9 | Confident | 71.3 | Confident | 173 Ų | 173 | 51 Ų | 51 | 65% | 0.653 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -69.5 | -45.1 | 175.8 | -64.8 | -177.6 | -176.2 | -173 | -0.6 | 111.8 | Y1001 Y1002 K1006 L1007 Q1008 | Y1001-R1004 PolarHBondContact O-N 3.4Å; Y1002-R1004 VanDerWaalsContact C-N 3.27Å; Y1002-R1004 PolarHBondContact O-N 2.91Å; R1004-K1006 VanDerWaalsContact C-N 3.34Å; R1004-L1007 PolarHBondContact O-N 3.01Å; R1004-Q1008 WeakPolarHBondContact O-CG 3.37Å; R1004-Q1008 PolarHBondContact O-N 3.22Å |
| 1005 | L | 69.6 | Low | 70.3 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.2 | -39.2 | -179.6 | -172.3 | 139.2 | 0 | 0 | 0 | 111.5 | F966 L973 Y1001 Y1002 L1007 Q1008 L1009 | F966-L1005 HydrophobicContact CD2-CD1 4.49Å; F966-L1005 HydrophobicContact CE2-CB 4.06Å; F966-L1005 HydrophobicContact CE2-CD1 3.64Å; F966-L1005 HydrophobicContact CE2-CG 4.5Å; F966-L1005 HydrophobicContact CZ-CB 4.41Å; F966-L1005 HydrophobicContact CZ-CD1 3.75Å; L973-L1005 HydrophobicContact CB-CD2 4.49Å; L973-L1005 HydrophobicContact CD1-CD2 3.35Å; Y1001-L1005 WeakPolarHBondContact O-CB 3.37Å; Y1001-L1005 PolarHBondContact O-N 3.11Å; Y1002-L1005 PolarHBondContact O-N 3.45Å; L1005-L1007 PolarHBondContact O-N 3.19Å; L1005-Q1008 PolarHBondContact O-N 2.85Å; L1005-L1009 HydrophobicContact CD2-CD1 3.47Å; L1005-L1009 VanDerWaalsContact CD2-CD1 3.47Å; L1005-L1009 HydrophobicContact CD2-CG 3.94Å; L1005-L1009 HydrophobicContact CG-CD1 4.47Å; L1005-L1009 HydrophobicContact CG-CG 4.46Å; L1005-L1009 WeakPolarHBondContact O-CG 3.36Å; L1005-L1009 PolarHBondContact O-N 3.35Å |
| 1006 | K | 72.8 | Confident | 69.2 | Low | 18 Ų | 18 | 60 Ų | 60 | 8% | 0.078 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56 | -50.9 | 173.1 | 175.8 | 176.5 | 173.4 | 167.4 | 0 | 111.8 | Y1002 R1004 Q1008 L1009 I1010 S1022 M1025 D1026 | Y1002-K1006 VanDerWaalsContact O-CB 3.31Å; Y1002-K1006 WeakPolarHBondContact O-CB 3.44Å; Y1002-K1006 PolarHBondContact O-N 3.43Å; R1004-K1006 VanDerWaalsContact C-N 3.34Å; K1006-Q1008 VanDerWaalsContact C-N 3.27Å; K1006-Q1008 PolarHBondContact O-N 3.39Å; K1006-L1009 PolarHBondContact O-N 3.46Å; K1006-I1010 HydrophobicContact CD-CD1 4.43Å; K1006-I1010 HydrophobicContact CG-CD1 3.76Å; K1006-I1010 WeakPolarHBondContact O-CD1 3.13Å; K1006-I1010 VanDerWaalsContact O-CG1 3.26Å; K1006-I1010 WeakPolarHBondContact O-CG1 3.41Å; K1006-I1010 PolarHBondContact O-N 3Å; K1006-S1022 PolarHBondContact NZ-O 2.82Å; K1006-M1025 HydrophobicContact CB-CE 4.32Å; K1006-M1025 HydrophobicContact CD-CB 3.97Å; K1006-M1025 HydrophobicContact CG-CB 4.31Å; K1006-M1025 HydrophobicContact CG-CE 4.32Å; K1006-D1026 IonicContact NZ-OD1 3.08Å; K1006-D1026 PolarHBondContact NZ-OD1 3.4Å; K1006-D1026 IonicContact NZ-OD2 3.46Å; K1006-D1026 PolarHBondContact NZ-OD2 3.23Å |
| 1007 | L | 72 | Confident | 68.5 | Low | 119 Ų | 119 | 60.6 Ų | 60.6 | 62% | 0.623 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -58.7 | -41.3 | 178.5 | -72.5 | 171.6 | 0 | 0 | 0 | 111.6 | S1003 R1004 L1005 V1011 | S1003-L1007 PolarHBondContact O-N 3.01Å; R1004-L1007 PolarHBondContact O-N 3.01Å; L1005-L1007 PolarHBondContact O-N 3.19Å; L1007-V1011 WeakPolarHBondContact O-CG2 3.36Å; L1007-V1011 PolarHBondContact O-N 3.18Å |
| 1008 | Q | 64.7 | Low | 68.1 | Low | 89 Ų | 89 | 62.4 Ų | 62.4 | 42% | 0.416 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.9 | -43.6 | 178.8 | -70.6 | 177.6 | -14.9 | 0 | 0 | 112.7 | N24 R1004 L1005 K1006 I1010 V1011 S1012 | N24-Q1008 VanDerWaalsContact ND2-CD 3.31Å; N24-Q1008 PolarHBondContact ND2-OE1 2.94Å; R1004-Q1008 WeakPolarHBondContact O-CG 3.37Å; R1004-Q1008 PolarHBondContact O-N 3.22Å; L1005-Q1008 PolarHBondContact O-N 2.85Å; K1006-Q1008 VanDerWaalsContact C-N 3.27Å; K1006-Q1008 PolarHBondContact O-N 3.39Å; Q1008-I1010 VanDerWaalsContact C-N 3.34Å; Q1008-I1010 PolarHBondContact O-N 2.84Å; Q1008-V1011 PolarHBondContact O-N 2.94Å; Q1008-S1012 PolarHBondContact O-N 3.04Å |
| 1009 | L | 67.3 | Low | 67.9 | Low | 14 Ų | 14 | 68.1 Ų | 68.1 | 7% | 0.073 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 177.5 | -72.2 | -175.8 | 0 | 0 | 0 | 112.1 | L973 N974 L977 F978 L1005 K1006 V1011 S1012 M1025 | L973-L1009 HydrophobicContact CB-CD1 4.29Å; L973-L1009 HydrophobicContact CD1-CD1 4.47Å; N974-L1009 WeakPolarHBondContact OD1-CD2 3.24Å; L977-L1009 HydrophobicContact CD1-CD1 3.8Å; F978-L1009 HydrophobicContact CE2-CD2 3.79Å; F978-L1009 HydrophobicContact CZ-CD2 4.22Å; L1005-L1009 HydrophobicContact CD2-CD1 3.47Å; L1005-L1009 VanDerWaalsContact CD2-CD1 3.47Å; L1005-L1009 HydrophobicContact CD2-CG 3.94Å; L1005-L1009 HydrophobicContact CG-CD1 4.47Å; L1005-L1009 HydrophobicContact CG-CG 4.46Å; L1005-L1009 WeakPolarHBondContact O-CG 3.36Å; L1005-L1009 PolarHBondContact O-N 3.35Å; K1006-L1009 PolarHBondContact O-N 3.46Å; L1009-V1011 PolarHBondContact O-N 2.96Å; L1009-S1012 PolarHBondContact O-N 2.9Å; L1009-S1012 PolarHBondContact O-OG 2.94Å; L1009-M1025 HydrophobicContact CD1-CE 4.12Å |
| 1010 | I | 67.2 | Low | 67.7 | Low | 20 Ų | 20 | 68.5 Ų | 68.5 | 10% | 0.103 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 178 | -68 | 164.3 | 0 | 0 | 0 | 110.7 | K1006 Q1008 S1012 L1013 Q1018 | K1006-I1010 HydrophobicContact CD-CD1 4.43Å; K1006-I1010 HydrophobicContact CG-CD1 3.76Å; K1006-I1010 WeakPolarHBondContact O-CD1 3.13Å; K1006-I1010 VanDerWaalsContact O-CG1 3.26Å; K1006-I1010 WeakPolarHBondContact O-CG1 3.41Å; K1006-I1010 PolarHBondContact O-N 3Å; Q1008-I1010 VanDerWaalsContact C-N 3.34Å; Q1008-I1010 PolarHBondContact O-N 2.84Å; I1010-S1012 PolarHBondContact O-N 3.48Å; I1010-L1013 PolarHBondContact O-N 3.44Å; I1010-L1013 VanDerWaalsContact O-N 3.13Å; I1010-Q1018 HydrophobicContact CG2-CB 3.81Å; I1010-Q1018 HydrophobicContact CG2-CG 4.05Å; I1010-Q1018 WeakPolarHBondContact O-CG 3.48Å; I1010-Q1018 PolarHBondContact O-NE2 3.44Å |
| 1011 | V | 67.5 | Low | 67.6 | Low | 114 Ų | 114 | 62.9 Ų | 62.9 | 69% | 0.691 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.7 | -29.5 | 179.7 | 173 | 0 | 0 | 0 | 0 | 112.2 | L1007 Q1008 L1009 L1013 | L1007-V1011 WeakPolarHBondContact O-CG2 3.36Å; L1007-V1011 PolarHBondContact O-N 3.18Å; Q1008-V1011 PolarHBondContact O-N 2.94Å; L1009-V1011 PolarHBondContact O-N 2.96Å; V1011-L1013 VanDerWaalsContact C-N 3.25Å; V1011-L1013 PolarHBondContact O-N 3.43Å |
| 1012 | S | 60.4 | Low | 67.7 | Low | 77 Ų | 77 | 61.9 Ų | 61.9 | 54% | 0.538 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -11 | 178.6 | 74.8 | 0 | 0 | 0 | 0 | 114.8 | Q1008 L1009 I1010 | Q1008-S1012 PolarHBondContact O-N 3.04Å; L1009-S1012 PolarHBondContact O-N 2.9Å; L1009-S1012 PolarHBondContact O-OG 2.94Å; I1010-S1012 PolarHBondContact O-N 3.48Å |
| 1013 | L | 63.3 | Low | 67.6 | Low | 17 Ų | 17 | 68 Ų | 68 | 9% | 0.089 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -94.9 | 154.3 | -178.2 | -73.1 | 162.9 | 0 | 0 | 0 | 112.1 | F978 I1010 V1011 Q1018 V1021 | F978-L1013 HydrophobicContact CE1-CD2 3.65Å; F978-L1013 HydrophobicContact CE1-CG 4.18Å; F978-L1013 HydrophobicContact CZ-CD2 4.34Å; F978-L1013 HydrophobicContact CZ-CG 4.44Å; I1010-L1013 PolarHBondContact O-N 3.44Å; I1010-L1013 VanDerWaalsContact O-N 3.13Å; V1011-L1013 VanDerWaalsContact C-N 3.25Å; V1011-L1013 PolarHBondContact O-N 3.43Å; L1013-Q1018 HydrophobicContact CB-CG 4.31Å; L1013-Q1018 WeakPolarHBondContact O-CG 3.32Å; L1013-Q1018 PolarHBondContact O-NE2 3.44Å; L1013-V1021 HydrophobicContact CD1-CB 3.81Å; L1013-V1021 HydrophobicContact CD1-CG1 3.72Å; L1013-V1021 HydrophobicContact CD1-CG2 3.76Å |
| 1014 | P | 61.1 | Low | 67.2 | Low | 51 Ų | 51 | 65.7 Ų | 65.7 | 33% | 0.331 | 35% | 0.352 | S | S | . | . | trans | -57.4 | 144 | 173.6 | -21.3 | 31.6 | 0 | 0 | 0 | 111.9 | S1016 Q1017 Q1018 | P1014-S1016 PolarHBondContact O-N 3Å; P1014-Q1017 PolarHBondContact O-N 3.21Å; P1014-Q1018 WeakPolarHBondContact O-CG 3.47Å; P1014-Q1018 PolarHBondContact O-N 3.5Å | ||
| 1015 | P | 64 | Low | 67.1 | Low | 91 Ų | 91 | 57.5 Ų | 57.5 | 59% | 0.591 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -52.4 | -32.6 | -176.8 | -26.2 | 32.7 | 0 | 0 | 0 | 114.4 | Q1017 | P1015-Q1017 VanDerWaalsContact C-N 3.28Å; P1015-Q1017 PolarHBondContact O-N 2.86Å |
| 1016 | S | 58.5 | Low | 67.3 | Low | 105 Ų | 105 | 60.4 Ų | 60.4 | 73% | 0.734 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65 | -26.2 | 177.2 | 53.3 | 0 | 0 | 0 | 0 | 114 | P1014 | P1014-S1016 PolarHBondContact O-N 3Å |
| 1017 | Q | 63.1 | Low | 67.2 | Low | 25 Ų | 25 | 64.8 Ų | 64.8 | 12% | 0.117 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -101.4 | -18.9 | -178.2 | -64.5 | -175.9 | -5.3 | 0 | 0 | 113.2 | P1014 P1015 N1019 F1020 V1021 L1057 | P1014-Q1017 PolarHBondContact O-N 3.21Å; P1015-Q1017 VanDerWaalsContact C-N 3.28Å; P1015-Q1017 PolarHBondContact O-N 2.86Å; Q1017-N1019 PolarHBondContact O-N 3.3Å; Q1017-F1020 PolarHBondContact O-N 3.45Å; Q1017-V1021 PolarHBondContact O-N 2.82Å; Q1017-L1057 HydrophobicContact CG-CD1 4.18Å |
| 1018 | Q | 68.3 | Low | 67 | Low | 56 Ų | 56 | 59.5 Ų | 59.5 | 26% | 0.262 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -56.1 | -47 | -173.3 | -69 | -173.2 | -1.5 | 0 | 0 | 113.1 | I1010 L1013 P1014 S1022 | I1010-Q1018 HydrophobicContact CG2-CB 3.81Å; I1010-Q1018 HydrophobicContact CG2-CG 4.05Å; I1010-Q1018 WeakPolarHBondContact O-CG 3.48Å; I1010-Q1018 PolarHBondContact O-NE2 3.44Å; L1013-Q1018 HydrophobicContact CB-CG 4.31Å; L1013-Q1018 WeakPolarHBondContact O-CG 3.32Å; L1013-Q1018 PolarHBondContact O-NE2 3.44Å; P1014-Q1018 WeakPolarHBondContact O-CG 3.47Å; P1014-Q1018 PolarHBondContact O-N 3.5Å; Q1018-S1022 VanDerWaalsContact O-CB 3.24Å; Q1018-S1022 WeakPolarHBondContact O-CB 3.15Å; Q1018-S1022 PolarHBondContact O-N 2.82Å |
| 1019 | N | 72.3 | Confident | 67.2 | Low | 126 Ų | 126 | 58.8 Ų | 58.8 | 67% | 0.674 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.3 | -44.5 | -180 | -71.1 | -19.1 | 0 | 0 | 0 | 111.8 | Q1017 S1022 E1023 | Q1017-N1019 PolarHBondContact O-N 3.3Å; N1019-S1022 WeakPolarHBondContact O-CB 3.35Å; N1019-S1022 PolarHBondContact O-N 3.45Å; N1019-E1023 PolarHBondContact O-N 3.33Å |
| 1020 | F | 69.2 | Low | 67.4 | Low | 82 Ų | 82 | 65.5 Ų | 65.5 | 36% | 0.36 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.5 | -47 | -178.7 | 179.4 | -99.5 | 0 | 0 | 0 | 112.3 | Q1017 S1022 E1023 L1024 P1053 | Q1017-F1020 PolarHBondContact O-N 3.45Å; F1020-S1022 VanDerWaalsContact C-N 3.32Å; F1020-S1022 PolarHBondContact O-N 3.47Å; F1020-E1023 PolarHBondContact O-N 3.31Å; F1020-L1024 HydrophobicContact CD1-CD1 3.9Å; F1020-L1024 HydrophobicContact CE1-CD1 3.24Å; F1020-L1024 HydrophobicContact CE1-CG 4.32Å; F1020-L1024 HydrophobicContact CE2-CD1 4.19Å; F1020-L1024 HydrophobicContact CZ-CD1 3.44Å; F1020-L1024 VanDerWaalsContact CZ-CD1 3.44Å; F1020-L1024 HydrophobicContact CZ-CG 4.27Å; F1020-L1024 PolarHBondContact O-N 2.93Å; F1020-L1024 VanDerWaalsContact O-N 3.12Å; F1020-P1053 HydrophobicContact CD1-CB 4.26Å; F1020-P1053 HydrophobicContact CE1-CB 3.48Å; F1020-P1053 VanDerWaalsContact CE1-CB 3.48Å; F1020-P1053 HydrophobicContact CE1-CG 3.48Å; F1020-P1053 VanDerWaalsContact CE1-CG 3.48Å; F1020-P1053 HydrophobicContact CZ-CB 4.02Å; F1020-P1053 HydrophobicContact CZ-CG 3.64Å |
| 1021 | V | 67.6 | Low | 67.6 | Low | 6 Ų | 6 | 65.7 Ų | 65.7 | 4% | 0.036 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.2 | -35.4 | 176.4 | 177.1 | 0 | 0 | 0 | 0 | 111 | L1013 Q1017 L1024 M1025 I1050 | L1013-V1021 HydrophobicContact CD1-CB 3.81Å; L1013-V1021 HydrophobicContact CD1-CG1 3.72Å; L1013-V1021 HydrophobicContact CD1-CG2 3.76Å; Q1017-V1021 PolarHBondContact O-N 2.82Å; V1021-L1024 PolarHBondContact O-N 2.84Å; V1021-M1025 HydrophobicContact CG1-CG 3.95Å; V1021-M1025 VanDerWaalsContact O-CB 3.25Å; V1021-M1025 WeakPolarHBondContact O-CB 3.29Å; V1021-M1025 WeakPolarHBondContact O-CG 3.42Å; V1021-M1025 PolarHBondContact O-N 3.29Å; V1021-I1050 HydrophobicContact CG1-CG2 4.16Å; V1021-I1050 HydrophobicContact CG2-CG2 4.31Å |
| 1022 | S | 73.3 | Confident | 67.6 | Low | 33 Ų | 33 | 63.3 Ų | 63.3 | 23% | 0.231 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.3 | -47.7 | 174.5 | -173.2 | 0 | 0 | 0 | 0 | 112 | K1006 Q1018 N1019 F1020 M1025 D1026 | K1006-S1022 PolarHBondContact NZ-O 2.82Å; Q1018-S1022 VanDerWaalsContact O-CB 3.24Å; Q1018-S1022 WeakPolarHBondContact O-CB 3.15Å; Q1018-S1022 PolarHBondContact O-N 2.82Å; N1019-S1022 WeakPolarHBondContact O-CB 3.35Å; N1019-S1022 PolarHBondContact O-N 3.45Å; F1020-S1022 VanDerWaalsContact C-N 3.32Å; F1020-S1022 PolarHBondContact O-N 3.47Å; S1022-M1025 PolarHBondContact O-N 2.95Å; S1022-D1026 PolarHBondContact O-N 3.41Å; S1022-D1026 VanDerWaalsContact O-OD2 3.06Å |
| 1023 | E | 70.7 | Confident | 68.1 | Low | 134 Ų | 134 | 66.8 Ų | 66.8 | 63% | 0.626 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.9 | -46 | 178.4 | -76.4 | -177.2 | 175.6 | 0 | 0 | 111.9 | N1019 F1020 D1026 E1027 | N1019-E1023 PolarHBondContact O-N 3.33Å; F1020-E1023 PolarHBondContact O-N 3.31Å; E1023-D1026 WeakPolarHBondContact O-CB 3.28Å; E1023-D1026 PolarHBondContact O-N 2.91Å; E1023-E1027 PolarHBondContact O-N 2.99Å |
| 1024 | L | 66.6 | Low | 68.6 | Low | 26 Ų | 26 | 68.1 Ų | 68.1 | 14% | 0.136 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.5 | -38.4 | 178.2 | -69.6 | 175.4 | 0 | 0 | 0 | 112.8 | F1020 V1021 D1026 E1027 L1028 I1050 | F1020-L1024 HydrophobicContact CD1-CD1 3.9Å; F1020-L1024 HydrophobicContact CE1-CD1 3.24Å; F1020-L1024 HydrophobicContact CE1-CG 4.32Å; F1020-L1024 HydrophobicContact CE2-CD1 4.19Å; F1020-L1024 HydrophobicContact CZ-CD1 3.44Å; F1020-L1024 VanDerWaalsContact CZ-CD1 3.44Å; F1020-L1024 HydrophobicContact CZ-CG 4.27Å; F1020-L1024 PolarHBondContact O-N 2.93Å; F1020-L1024 VanDerWaalsContact O-N 3.12Å; V1021-L1024 PolarHBondContact O-N 2.84Å; L1024-D1026 PolarHBondContact O-N 3.49Å; L1024-E1027 WeakPolarHBondContact O-CB 3.36Å; L1024-E1027 PolarHBondContact O-N 3.06Å; L1024-L1028 PolarHBondContact O-N 3.07Å; L1024-I1050 HydrophobicContact CB-CD1 3.88Å; L1024-I1050 HydrophobicContact CB-CG1 3.41Å; L1024-I1050 VanDerWaalsContact CB-CG1 3.41Å; L1024-I1050 HydrophobicContact CD1-CB 4.16Å; L1024-I1050 HydrophobicContact CD1-CG1 3.55Å; L1024-I1050 HydrophobicContact CG-CG1 4.09Å |
| 1025 | M | 70.2 | Confident | 69.5 | Low | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.3 | -27.1 | 173.4 | -71.4 | -77.8 | -79.1 | 0 | 0 | 112 | Y1002 K1006 L1009 V1021 S1022 L1028 I1050 | Y1002-M1025 HydrophobicContact CE2-CE 3.72Å; Y1002-M1025 VanDerWaalsContact OH-CE 3.32Å; Y1002-M1025 WeakPolarHBondContact OH-CE 3.45Å; Y1002-M1025 PolarHBondContact OH-O 3.46Å; Y1002-M1025 VanDerWaalsContact OH-O 3.05Å; K1006-M1025 HydrophobicContact CB-CE 4.32Å; K1006-M1025 HydrophobicContact CD-CB 3.97Å; K1006-M1025 HydrophobicContact CG-CB 4.31Å; K1006-M1025 HydrophobicContact CG-CE 4.32Å; L1009-M1025 HydrophobicContact CD1-CE 4.12Å; V1021-M1025 HydrophobicContact CG1-CG 3.95Å; V1021-M1025 VanDerWaalsContact O-CB 3.25Å; V1021-M1025 WeakPolarHBondContact O-CB 3.29Å; V1021-M1025 WeakPolarHBondContact O-CG 3.42Å; V1021-M1025 PolarHBondContact O-N 3.29Å; S1022-M1025 PolarHBondContact O-N 2.95Å; M1025-L1028 HydrophobicContact SD-CD1 3.94Å; M1025-I1050 HydrophobicContact CG-CD1 4.3Å; M1025-I1050 HydrophobicContact SD-CD1 4.12Å |
| 1026 | D | 74 | Confident | 70.2 | Confident | 64 Ų | 64 | 69.2 Ų | 69.2 | 34% | 0.342 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -71 | -37.6 | 168 | -76 | -42.7 | 0 | 0 | 0 | 111.6 | K1006 S1022 E1023 L1024 L1028 T1029 K1030 | K1006-D1026 IonicContact NZ-OD1 3.08Å; K1006-D1026 PolarHBondContact NZ-OD1 3.4Å; K1006-D1026 IonicContact NZ-OD2 3.46Å; K1006-D1026 PolarHBondContact NZ-OD2 3.23Å; S1022-D1026 PolarHBondContact O-N 3.41Å; S1022-D1026 VanDerWaalsContact O-OD2 3.06Å; E1023-D1026 WeakPolarHBondContact O-CB 3.28Å; E1023-D1026 PolarHBondContact O-N 2.91Å; L1024-D1026 PolarHBondContact O-N 3.49Å; D1026-L1028 VanDerWaalsContact C-N 3.27Å; D1026-L1028 PolarHBondContact O-N 3.12Å; D1026-T1029 PolarHBondContact O-N 2.86Å; D1026-T1029 PolarHBondContact O-OG1 3.39Å; D1026-K1030 PolarHBondContact O-N 2.71Å |
| 1027 | E | 70.7 | Confident | 71.1 | Confident | 111 Ų | 111 | 67.1 Ų | 67.1 | 52% | 0.519 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.4 | -37.7 | 174.6 | -65.5 | -156.1 | 146.2 | 0 | 0 | 112.7 | E1023 L1024 T1029 K1030 | E1023-E1027 PolarHBondContact O-N 2.99Å; L1024-E1027 WeakPolarHBondContact O-CB 3.36Å; L1024-E1027 PolarHBondContact O-N 3.06Å; E1027-T1029 PolarHBondContact O-N 3.23Å; E1027-K1030 WeakPolarHBondContact O-CB 3.21Å; E1027-K1030 PolarHBondContact O-N 3.42Å |
| 1028 | L | 67.7 | Low | 71.8 | Confident | 7 Ų | 7 | 69.2 Ų | 69.2 | 4% | 0.037 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.7 | -30.4 | 174.3 | -63.3 | 177.8 | 0 | 0 | 0 | 112.8 | L1024 M1025 D1026 I1047 I1050 | L1024-L1028 PolarHBondContact O-N 3.07Å; M1025-L1028 HydrophobicContact SD-CD1 3.94Å; D1026-L1028 VanDerWaalsContact C-N 3.27Å; D1026-L1028 PolarHBondContact O-N 3.12Å; L1028-I1047 HydrophobicContact CD1-CG1 3.9Å; L1028-I1047 HydrophobicContact CD2-CG1 3.97Å; L1028-I1050 HydrophobicContact CD1-CD1 3.87Å; L1028-I1050 HydrophobicContact CG-CD1 4.42Å |
| 1029 | T | 69.1 | Low | 72.2 | Confident | 75 Ų | 75 | 67.4 Ų | 67.4 | 46% | 0.46 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -83.1 | -15.1 | 176.4 | 66.9 | 0 | 0 | 0 | 0 | 114 | Y1002 D1026 E1027 L1031 | Y1002-T1029 HydrophobicContact CD1-CG2 4.18Å; Y1002-T1029 HydrophobicContact CE1-CG2 3.5Å; D1026-T1029 PolarHBondContact O-N 2.86Å; D1026-T1029 PolarHBondContact O-OG1 3.39Å; E1027-T1029 PolarHBondContact O-N 3.23Å; T1029-L1031 VanDerWaalsContact C-N 3.32Å |
| 1030 | K | 70.7 | Confident | 72.7 | Confident | 154 Ų | 154 | 62.1 Ų | 62.1 | 67% | 0.67 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -82.5 | -10.4 | 176.2 | -66 | 175.6 | -171.2 | 165.9 | 0 | 112.9 | D1026 E1027 | D1026-K1030 PolarHBondContact O-N 2.71Å; E1027-K1030 WeakPolarHBondContact O-CB 3.21Å; E1027-K1030 PolarHBondContact O-N 3.42Å |
| 1031 | L | 70.5 | Confident | 73.2 | Confident | 24 Ų | 24 | 60.5 Ų | 60.5 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -58.7 | 147 | 177.6 | -72.2 | 171 | 0 | 0 | 0 | 111 | L992 T1029 R1033 E1042 C1043 | L992-L1031 HydrophobicContact CD1-CB 4.44Å; L992-L1031 HydrophobicContact CD1-CD1 3.94Å; T1029-L1031 VanDerWaalsContact C-N 3.32Å; L1031-R1033 PolarHBondContact O-N 3.34Å; L1031-E1042 HydrophobicContact CD2-CB 4.11Å; L1031-E1042 HydrophobicContact CD2-CG 3.88Å; L1031-C1043 HydrophobicContact CD1-CB 3.68Å |
| 1032 | P | 67.5 | Low | 73.7 | Confident | 64 Ų | 64 | 63.7 Ų | 63.7 | 42% | 0.416 | 33% | 0.327 | S | S | . | . | trans | -58.6 | 139.7 | 178.9 | -14.1 | 23.9 | 0 | 0 | 0 | 110.7 | N1034 N1039 | P1032-N1034 PolarHBondContact O-N 2.91Å; P1032-N1039 WeakPolarHBondContact CB-ND2 3.17Å; P1032-N1039 WeakPolarHBondContact CD-ND2 3.42Å; P1032-N1039 WeakPolarHBondContact CG-ND2 3.23Å; P1032-N1039 PolarHBondContact O-ND2 2.88Å | ||
| 1033 | R | 71.6 | Confident | 74 | Confident | 150 Ų | 150 | 62.1 Ų | 62.1 | 57% | 0.566 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -71.7 | 51.1 | -176.4 | -65.8 | -175.3 | 172.8 | -163.9 | -9.4 | 114 | Y913 E999 L1031 | Y913-R1033 PolarHBondContact OH-O 2.82Å; E999-R1033 IonicContact OE1-NH2 3.17Å; L1031-R1033 PolarHBondContact O-N 3.34Å |
| 1034 | N | 74.3 | Confident | 74.4 | Confident | 45 Ų | 45 | 55.9 Ų | 55.9 | 24% | 0.241 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -143.9 | 154.9 | 174.8 | 65.1 | 56.1 | 0 | 0 | 0 | 110 | P1032 Y1036 N1039 | P1032-N1034 PolarHBondContact O-N 2.91Å; N1034-Y1036 HydrophobicContact CB-CD2 4.04Å; N1034-Y1036 HydrophobicContact CB-CE2 3.95Å; N1034-Y1036 VanDerWaalsContact CG-CE2 3.4Å; N1034-Y1036 WeakPolarHBondContact ND2-CE2 3.44Å; N1034-Y1036 WeakPolarHBondContact OD1-CD2 3.38Å; N1034-N1039 PolarHBondContact O-ND2 3.11Å; N1034-N1039 PolarHBondContact OD1-ND2 3.34Å |
| 1035 | L | 79.1 | Confident | 74.9 | Confident | 19 Ų | 19 | 61.5 Ų | 61.5 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | trans | -102.1 | 35.9 | -176.1 | -66.8 | 178.1 | 0 | 0 | 0 | 112.2 | Y913 L992 L996 K1040 | Y913-L1035 HydrophobicContact CD1-CD1 3.54Å; Y913-L1035 HydrophobicContact CD1-CG 3.85Å; Y913-L1035 HydrophobicContact CE1-CD1 4.4Å; Y913-L1035 HydrophobicContact CE1-CG 4.25Å; Y913-L1035 HydrophobicContact CG-CD1 3.66Å; Y913-L1035 HydrophobicContact CG-CG 4.32Å; L992-L1035 HydrophobicContact CB-CD2 4.35Å; L992-L1035 HydrophobicContact CD2-CD2 4.02Å; L992-L1035 HydrophobicContact CG-CD2 3.83Å; L996-L1035 HydrophobicContact CD1-CD2 3.8Å; L996-L1035 HydrophobicContact CD1-CG 4.25Å; L1035-K1040 WeakPolarHBondContact O-CE 3.38Å | ||
| 1036 | Y | 79.6 | Confident | 74.9 | Confident | 147 Ų | 147 | 62.5 Ų | 62.5 | 58% | 0.576 | 32% | 0.318 | S | S | * | . | trans | -62.4 | 149.9 | 172 | -64.1 | -46.9 | 0 | 0 | 0 | 110.6 | N1034 A1038 N1039 K1040 | N1034-Y1036 HydrophobicContact CB-CD2 4.04Å; N1034-Y1036 HydrophobicContact CB-CE2 3.95Å; N1034-Y1036 VanDerWaalsContact CG-CE2 3.4Å; N1034-Y1036 WeakPolarHBondContact ND2-CE2 3.44Å; N1034-Y1036 WeakPolarHBondContact OD1-CD2 3.38Å; Y1036-A1038 PolarHBondContact O-N 2.77Å; Y1036-N1039 PolarHBondContact O-N 3.49Å; Y1036-K1040 PolarHBondContact O-N 3.37Å; Y1036-K1040 VanDerWaalsContact O-N 3.12Å | ||
| 1037 | A | 76.6 | Confident | 74.8 | Confident | 61 Ų | 61 | 59.4 Ų | 59.4 | 50% | 0.504 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -52.7 | -43.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | N1039 K1040 D1041 | A1037-N1039 PolarHBondContact O-N 3.35Å; A1037-K1040 WeakPolarHBondContact O-CB 3.31Å; A1037-K1040 PolarHBondContact O-N 2.69Å; A1037-D1041 VanDerWaalsContact O-CG 3.25Å; A1037-D1041 PolarHBondContact O-N 2.8Å |
| 1038 | A | 77.8 | Confident | 74.7 | Confident | 68 Ų | 68 | 57.5 Ų | 57.5 | 56% | 0.562 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -58.3 | -41.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y1036 D1041 E1042 | Y1036-A1038 PolarHBondContact O-N 2.77Å; A1038-D1041 PolarHBondContact O-N 3.28Å; A1038-E1042 WeakPolarHBondContact O-CB 3.37Å; A1038-E1042 PolarHBondContact O-N 2.96Å |
| 1039 | N | 78.1 | Confident | 74.5 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 10% | 0.096 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -73 | -34.6 | 178.9 | -71.4 | 12.9 | 0 | 0 | 0 | 111.9 | L992 P1032 N1034 Y1036 A1037 E1042 C1043 | L992-N1039 HydrophobicContact CD2-CB 4.03Å; P1032-N1039 WeakPolarHBondContact CB-ND2 3.17Å; P1032-N1039 WeakPolarHBondContact CD-ND2 3.42Å; P1032-N1039 WeakPolarHBondContact CG-ND2 3.23Å; P1032-N1039 PolarHBondContact O-ND2 2.88Å; N1034-N1039 PolarHBondContact O-ND2 3.11Å; N1034-N1039 PolarHBondContact OD1-ND2 3.34Å; Y1036-N1039 PolarHBondContact O-N 3.49Å; A1037-N1039 PolarHBondContact O-N 3.35Å; N1039-E1042 PolarHBondContact O-N 3.24Å; N1039-C1043 WeakPolarHBondContact O-CB 3.49Å; N1039-C1043 PolarHBondContact O-N 3.23Å |
| 1040 | K | 80.9 | Confident | 74.2 | Confident | 15 Ų | 15 | 55.9 Ų | 55.9 | 7% | 0.065 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 172.4 | -67.4 | -174.7 | -177.8 | -175.1 | 0 | 110.5 | D906 S910 L992 L1035 Y1036 A1037 E1042 C1043 V1044 | D906-K1040 WeakPolarHBondContact OD1-CE 3.42Å; D906-K1040 IonicContact OD1-NZ 3.22Å; D906-K1040 PolarHBondContact OD1-NZ 3.3Å; D906-K1040 IonicContact OD2-NZ 3.4Å; D906-K1040 PolarHBondContact OD2-NZ 3.07Å; S910-K1040 PolarHBondContact OG-NZ 3.44Å; L992-K1040 HydrophobicContact CD2-CG 4.16Å; L1035-K1040 WeakPolarHBondContact O-CE 3.38Å; Y1036-K1040 PolarHBondContact O-N 3.37Å; Y1036-K1040 VanDerWaalsContact O-N 3.12Å; A1037-K1040 WeakPolarHBondContact O-CB 3.31Å; A1037-K1040 PolarHBondContact O-N 2.69Å; K1040-E1042 VanDerWaalsContact C-N 3.34Å; K1040-E1042 PolarHBondContact O-N 3.36Å; K1040-C1043 WeakPolarHBondContact O-CB 3.34Å; K1040-C1043 PolarHBondContact O-N 3.02Å; K1040-V1044 VanDerWaalsContact O-CG2 3.29Å; K1040-V1044 WeakPolarHBondContact O-CG2 3.49Å; K1040-V1044 PolarHBondContact O-N 3.09Å |
| 1041 | D | 81.2 | Confident | 73.6 | Confident | 48 Ų | 48 | 50.3 Ų | 50.3 | 26% | 0.257 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 176.8 | -64.5 | -34 | 0 | 0 | 0 | 110.6 | Y985 A1037 A1038 C1043 V1044 Y1045 | Y985-D1041 PolarHBondContact OH-OD1 3.21Å; Y985-D1041 VanDerWaalsContact OH-OD1 3.13Å; A1037-D1041 VanDerWaalsContact O-CG 3.25Å; A1037-D1041 PolarHBondContact O-N 2.8Å; A1038-D1041 PolarHBondContact O-N 3.28Å; D1041-C1043 VanDerWaalsContact C-N 3.34Å; D1041-C1043 PolarHBondContact O-N 3.29Å; D1041-V1044 WeakPolarHBondContact O-CB 3.47Å; D1041-V1044 PolarHBondContact O-N 2.89Å; D1041-V1044 VanDerWaalsContact O-N 3.15Å; D1041-Y1045 HydrophobicContact CB-CE2 4.33Å; D1041-Y1045 WeakPolarHBondContact O-CD2 3.09Å; D1041-Y1045 PolarHBondContact O-N 3.1Å |
| 1042 | E | 78.5 | Confident | 72.7 | Confident | 73 Ų | 73 | 53.1 Ų | 53.1 | 34% | 0.341 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.5 | -38 | 173.2 | -162.7 | 169.4 | -151.2 | 0 | 0 | 112.2 | L1031 A1038 N1039 K1040 Y1045 G1046 R1075 | L1031-E1042 HydrophobicContact CD2-CB 4.11Å; L1031-E1042 HydrophobicContact CD2-CG 3.88Å; A1038-E1042 WeakPolarHBondContact O-CB 3.37Å; A1038-E1042 PolarHBondContact O-N 2.96Å; N1039-E1042 PolarHBondContact O-N 3.24Å; K1040-E1042 VanDerWaalsContact C-N 3.34Å; K1040-E1042 PolarHBondContact O-N 3.36Å; E1042-Y1045 PolarHBondContact O-N 3.33Å; E1042-G1046 PolarHBondContact O-N 3.29Å; E1042-R1075 IonicContact OE1-NH1 2.7Å; E1042-R1075 PolarHBondContact OE1-NH1 3.23Å; E1042-R1075 IonicContact OE1-NH2 3Å |
| 1043 | C | 78.5 | Confident | 71.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 170.8 | -175.2 | 0 | 0 | 0 | 0 | 111.8 | L992 L1031 N1039 K1040 D1041 Y1045 G1046 I1047 | L992-C1043 HydrophobicContact CB-CB 4.01Å; L992-C1043 HydrophobicContact CD1-CB 4.46Å; L992-C1043 HydrophobicContact CD2-CB 4.22Å; L992-C1043 HydrophobicContact CG-CB 4.46Å; L1031-C1043 HydrophobicContact CD1-CB 3.68Å; N1039-C1043 WeakPolarHBondContact O-CB 3.49Å; N1039-C1043 PolarHBondContact O-N 3.23Å; K1040-C1043 WeakPolarHBondContact O-CB 3.34Å; K1040-C1043 PolarHBondContact O-N 3.02Å; D1041-C1043 VanDerWaalsContact C-N 3.34Å; D1041-C1043 PolarHBondContact O-N 3.29Å; C1043-Y1045 VanDerWaalsContact C-N 3.34Å; C1043-Y1045 PolarHBondContact O-N 3.3Å; C1043-G1046 PolarHBondContact O-N 3.07Å; C1043-I1047 VanDerWaalsContact O-CG1 3.25Å; C1043-I1047 WeakPolarHBondContact O-CG1 3.3Å; C1043-I1047 PolarHBondContact O-N 3.49Å |
| 1044 | V | 79 | Confident | 70.4 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.024 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.2 | -45.9 | 174.3 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | Y985 R989 K1040 D1041 I1047 Q1048 | Y985-V1044 HydrophobicContact CD2-CG1 4.1Å; R989-V1044 HydrophobicContact CG-CG2 4.17Å; K1040-V1044 VanDerWaalsContact O-CG2 3.29Å; K1040-V1044 WeakPolarHBondContact O-CG2 3.49Å; K1040-V1044 PolarHBondContact O-N 3.09Å; D1041-V1044 WeakPolarHBondContact O-CB 3.47Å; D1041-V1044 PolarHBondContact O-N 2.89Å; D1041-V1044 VanDerWaalsContact O-N 3.15Å; V1044-I1047 PolarHBondContact O-N 3.44Å; V1044-Q1048 HydrophobicContact CG1-CG 4.48Å; V1044-Q1048 WeakPolarHBondContact O-CB 3.44Å; V1044-Q1048 WeakPolarHBondContact O-CG 3.36Å; V1044-Q1048 PolarHBondContact O-N 3.34Å |
| 1045 | Y | 77.2 | Confident | 69 | Low | 144 Ų | 144 | 45.1 Ų | 45.1 | 57% | 0.565 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -63.2 | -41.7 | 176.6 | -72.2 | -59.7 | 0 | 0 | 0 | 112.5 | D1041 E1042 C1043 I1047 Q1048 A1049 | D1041-Y1045 HydrophobicContact CB-CE2 4.33Å; D1041-Y1045 WeakPolarHBondContact O-CD2 3.09Å; D1041-Y1045 PolarHBondContact O-N 3.1Å; E1042-Y1045 PolarHBondContact O-N 3.33Å; C1043-Y1045 VanDerWaalsContact C-N 3.34Å; C1043-Y1045 PolarHBondContact O-N 3.3Å; Y1045-I1047 VanDerWaalsContact C-N 3.35Å; Y1045-Q1048 PolarHBondContact O-N 2.95Å; Y1045-A1049 WeakPolarHBondContact O-CB 3.47Å; Y1045-A1049 PolarHBondContact O-N 3.4Å |
| 1046 | G | 70.6 | Confident | 67.2 | Low | 21 Ų | 21 | 45.2 Ų | 45.2 | 22% | 0.216 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1042 C1043 A1049 I1050 | E1042-G1046 PolarHBondContact O-N 3.29Å; C1043-G1046 PolarHBondContact O-N 3.07Å; G1046-A1049 WeakPolarHBondContact O-CB 3.34Å; G1046-A1049 PolarHBondContact O-N 3.28Å; G1046-I1050 WeakPolarHBondContact O-CG1 3.43Å; G1046-I1050 PolarHBondContact O-N 2.99Å |
| 1047 | I | 71.1 | Confident | 65 | Low | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.1 | -40.1 | 177.1 | -63.9 | 169.6 | 0 | 0 | 0 | 111.5 | V976 I991 L1028 C1043 V1044 Y1045 A1049 I1050 F1051 | V976-I1047 HydrophobicContact CB-CG2 4.17Å; V976-I1047 HydrophobicContact CG1-CG2 3.18Å; I991-I1047 HydrophobicContact CB-CD1 4.08Å; I991-I1047 HydrophobicContact CD1-CD1 3.77Å; I991-I1047 HydrophobicContact CG2-CD1 3.86Å; L1028-I1047 HydrophobicContact CD1-CG1 3.9Å; L1028-I1047 HydrophobicContact CD2-CG1 3.97Å; C1043-I1047 VanDerWaalsContact O-CG1 3.25Å; C1043-I1047 WeakPolarHBondContact O-CG1 3.3Å; C1043-I1047 PolarHBondContact O-N 3.49Å; V1044-I1047 PolarHBondContact O-N 3.44Å; Y1045-I1047 VanDerWaalsContact C-N 3.35Å; I1047-A1049 VanDerWaalsContact C-N 3.26Å; I1047-A1049 PolarHBondContact O-N 3.49Å; I1047-I1050 WeakPolarHBondContact O-CB 3.45Å; I1047-I1050 PolarHBondContact O-N 2.95Å; I1047-F1051 PolarHBondContact O-N 3.37Å |
| 1048 | Q | 69 | Low | 63.1 | Low | 70 Ų | 70 | 46.7 Ų | 46.7 | 33% | 0.327 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.7 | -39.1 | 171.8 | -75.8 | -178.9 | -20.3 | 0 | 0 | 111.7 | H984 V1044 Y1045 I1050 F1051 V1052 | H984-Q1048 WeakPolarHBondContact CE1-CG 2.96Å; V1044-Q1048 HydrophobicContact CG1-CG 4.48Å; V1044-Q1048 WeakPolarHBondContact O-CB 3.44Å; V1044-Q1048 WeakPolarHBondContact O-CG 3.36Å; V1044-Q1048 PolarHBondContact O-N 3.34Å; Y1045-Q1048 PolarHBondContact O-N 2.95Å; Q1048-I1050 VanDerWaalsContact C-N 3.28Å; Q1048-I1050 PolarHBondContact O-N 3.47Å; Q1048-F1051 PolarHBondContact O-N 2.71Å; Q1048-V1052 WeakPolarHBondContact O-CG2 3.48Å; Q1048-V1052 PolarHBondContact O-N 2.96Å |
| 1049 | A | 63.9 | Low | 60.9 | Low | 46 Ų | 46 | 47.7 Ų | 47.7 | 38% | 0.38 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.6 | -23.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1045 G1046 I1047 P1053 | Y1045-A1049 WeakPolarHBondContact O-CB 3.47Å; Y1045-A1049 PolarHBondContact O-N 3.4Å; G1046-A1049 WeakPolarHBondContact O-CB 3.34Å; G1046-A1049 PolarHBondContact O-N 3.28Å; I1047-A1049 VanDerWaalsContact C-N 3.26Å; I1047-A1049 PolarHBondContact O-N 3.49Å; A1049-P1053 WeakPolarHBondContact O-CD 3.24Å; A1049-P1053 WeakPolarHBondContact O-CG 2.99Å |
| 1050 | I | 63 | Low | 58.4 | Low | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -75.2 | -43.5 | 168.8 | -62.1 | 165.3 | 0 | 0 | 0 | 110.6 | L977 V1021 L1024 M1025 L1028 G1046 I1047 Q1048 P1053 A1054 | L977-I1050 HydrophobicContact CD2-CB 4.01Å; L977-I1050 HydrophobicContact CD2-CG2 3.39Å; V1021-I1050 HydrophobicContact CG1-CG2 4.16Å; V1021-I1050 HydrophobicContact CG2-CG2 4.31Å; L1024-I1050 HydrophobicContact CB-CD1 3.88Å; L1024-I1050 HydrophobicContact CB-CG1 3.41Å; L1024-I1050 VanDerWaalsContact CB-CG1 3.41Å; L1024-I1050 HydrophobicContact CD1-CB 4.16Å; L1024-I1050 HydrophobicContact CD1-CG1 3.55Å; L1024-I1050 HydrophobicContact CG-CG1 4.09Å; M1025-I1050 HydrophobicContact CG-CD1 4.3Å; M1025-I1050 HydrophobicContact SD-CD1 4.12Å; L1028-I1050 HydrophobicContact CD1-CD1 3.87Å; L1028-I1050 HydrophobicContact CG-CD1 4.42Å; G1046-I1050 WeakPolarHBondContact O-CG1 3.43Å; G1046-I1050 PolarHBondContact O-N 2.99Å; I1047-I1050 WeakPolarHBondContact O-CB 3.45Å; I1047-I1050 PolarHBondContact O-N 2.95Å; Q1048-I1050 VanDerWaalsContact C-N 3.28Å; Q1048-I1050 PolarHBondContact O-N 3.47Å; I1050-P1053 WeakPolarHBondContact O-CD 3.47Å; I1050-A1054 WeakPolarHBondContact O-CB 3.2Å; I1050-A1054 PolarHBondContact O-N 3.07Å |
| 1051 | F | 57.3 | Low | 55.8 | Low | 38 Ų | 38 | 58.9 Ų | 58.9 | 17% | 0.167 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.2 | -44.5 | -177.4 | 180 | -102.4 | 0 | 0 | 0 | 113 | V976 D979 I1047 Q1048 A1054 N1055 | V976-F1051 WeakPolarHBondContact O-CD2 3.38Å; D979-F1051 WeakPolarHBondContact O-CE2 3.48Å; I1047-F1051 PolarHBondContact O-N 3.37Å; Q1048-F1051 PolarHBondContact O-N 2.71Å; F1051-A1054 PolarHBondContact O-N 3.45Å; F1051-N1055 WeakPolarHBondContact CE2-ND2 3.44Å; F1051-N1055 WeakPolarHBondContact CZ-ND2 3.43Å; F1051-N1055 PolarHBondContact O-N 3.09Å; F1051-N1055 VanDerWaalsContact O-N 3.12Å |
| 1052 | V | 51.5 | Low | 53.2 | Low | 83 Ų | 83 | 65 Ų | 65 | 50% | 0.503 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -54.8 | -55.9 | -176.7 | 167.4 | 0 | 0 | 0 | 0 | 110.8 | Q1048 A1054 N1055 S1056 | Q1048-V1052 WeakPolarHBondContact O-CG2 3.48Å; Q1048-V1052 PolarHBondContact O-N 2.96Å; V1052-A1054 PolarHBondContact O-N 2.93Å; V1052-N1055 PolarHBondContact O-N 3.5Å; V1052-S1056 WeakPolarHBondContact O-CA 3.47Å; V1052-S1056 WeakPolarHBondContact O-CB 3.27Å; V1052-S1056 PolarHBondContact O-N 2.64Å; V1052-S1056 PolarHBondContact O-OG 2.84Å |
| 1053 | P | 45.1 | Very low | 50.5 | Low | 25 Ų | 25 | 65.4 Ų | 65.4 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65 | -37.7 | 177.2 | -23.2 | 37.3 | 0 | 0 | 0 | 113.7 | F1020 A1049 I1050 N1055 S1056 L1057 | F1020-P1053 HydrophobicContact CD1-CB 4.26Å; F1020-P1053 HydrophobicContact CE1-CB 3.48Å; F1020-P1053 VanDerWaalsContact CE1-CB 3.48Å; F1020-P1053 HydrophobicContact CE1-CG 3.48Å; F1020-P1053 VanDerWaalsContact CE1-CG 3.48Å; F1020-P1053 HydrophobicContact CZ-CB 4.02Å; F1020-P1053 HydrophobicContact CZ-CG 3.64Å; A1049-P1053 WeakPolarHBondContact O-CD 3.24Å; A1049-P1053 WeakPolarHBondContact O-CG 2.99Å; I1050-P1053 WeakPolarHBondContact O-CD 3.47Å; P1053-N1055 PolarHBondContact O-N 2.94Å; P1053-N1055 VanDerWaalsContact O-N 3.14Å; P1053-S1056 PolarHBondContact O-N 3.02Å; P1053-L1057 HydrophobicContact CB-CD1 4.06Å; P1053-L1057 HydrophobicContact CB-CG 4.35Å; P1053-L1057 WeakPolarHBondContact O-CB 3.28Å; P1053-L1057 VanDerWaalsContact O-CD1 3.3Å; P1053-L1057 WeakPolarHBondContact O-CD1 3.43Å; P1053-L1057 VanDerWaalsContact O-CG 3.31Å; P1053-L1057 WeakPolarHBondContact O-CG 3.29Å; P1053-L1057 PolarHBondContact O-N 2.83Å |
| 1054 | A | 47.1 | Very low | 48 | Very low | 12 Ų | 12 | 70.6 Ų | 70.6 | 10% | 0.099 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.3 | -23.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K121 I1050 F1051 V1052 | K121-A1054 PolarHBondContact NZ-O 3.41Å; I1050-A1054 WeakPolarHBondContact O-CB 3.2Å; I1050-A1054 PolarHBondContact O-N 3.07Å; F1051-A1054 PolarHBondContact O-N 3.45Å; V1052-A1054 PolarHBondContact O-N 2.93Å |
| 1055 | N | 44.7 | Very low | 45.6 | Very low | 54 Ų | 54 | 75.9 Ų | 75.9 | 29% | 0.289 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -109.7 | -26.4 | 175.9 | -73.3 | -7.8 | 0 | 0 | 0 | 114.5 | K121 F1051 V1052 P1053 | K121-N1055 WeakPolarHBondContact CE-OD1 3.32Å; K121-N1055 PolarHBondContact NZ-OD1 3.36Å; F1051-N1055 WeakPolarHBondContact CE2-ND2 3.44Å; F1051-N1055 WeakPolarHBondContact CZ-ND2 3.43Å; F1051-N1055 PolarHBondContact O-N 3.09Å; F1051-N1055 VanDerWaalsContact O-N 3.12Å; V1052-N1055 PolarHBondContact O-N 3.5Å; P1053-N1055 PolarHBondContact O-N 2.94Å; P1053-N1055 VanDerWaalsContact O-N 3.14Å |
| 1056 | S | 40.1 | Very low | 43.2 | Very low | 21 Ų | 21 | 78.6 Ų | 78.6 | 15% | 0.147 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -98.9 | -9.9 | -171.1 | 75 | 0 | 0 | 0 | 0 | 114.9 | V1052 P1053 D1058 S1059 L1060 | V1052-S1056 WeakPolarHBondContact O-CA 3.47Å; V1052-S1056 WeakPolarHBondContact O-CB 3.27Å; V1052-S1056 PolarHBondContact O-N 2.64Å; V1052-S1056 PolarHBondContact O-OG 2.84Å; P1053-S1056 PolarHBondContact O-N 3.02Å; S1056-D1058 PolarHBondContact O-N 2.95Å; S1056-D1058 VanDerWaalsContact O-N 3.14Å; S1056-S1059 WeakPolarHBondContact O-CA 3.3Å; S1056-S1059 PolarHBondContact O-N 2.93Å; S1056-S1059 PolarHBondContact O-OG 3.06Å; S1056-L1060 PolarHBondContact O-N 3.03Å; S1056-L1060 VanDerWaalsContact O-N 3.12Å; S1056-L1060 WeakPolarHBondContact OG-CD1 3.19Å |
| 1057 | L | 34.8 | Very low | 41.2 | Very low | 80 Ų | 80 | 81.6 Ų | 81.6 | 42% | 0.419 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -22.6 | -176.4 | -89.9 | 161.3 | 0 | 0 | 0 | 113.8 | Q1017 P1053 | Q1017-L1057 HydrophobicContact CG-CD1 4.18Å; P1053-L1057 HydrophobicContact CB-CD1 4.06Å; P1053-L1057 HydrophobicContact CB-CG 4.35Å; P1053-L1057 WeakPolarHBondContact O-CB 3.28Å; P1053-L1057 VanDerWaalsContact O-CD1 3.3Å; P1053-L1057 WeakPolarHBondContact O-CD1 3.43Å; P1053-L1057 VanDerWaalsContact O-CG 3.31Å; P1053-L1057 WeakPolarHBondContact O-CG 3.29Å; P1053-L1057 PolarHBondContact O-N 2.83Å |
| 1058 | D | 36.2 | Very low | 39.1 | Very low | 158 Ų | 158 | 87.4 Ų | 87.4 | 85% | 0.845 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -24.3 | 171.9 | -68.8 | -24.7 | 0 | 0 | 0 | 113 | S1056 | S1056-D1058 PolarHBondContact O-N 2.95Å; S1056-D1058 VanDerWaalsContact O-N 3.14Å |
| 1059 | S | 30.6 | Very low | 37.1 | Very low | 89 Ų | 89 | 88.3 Ų | 88.3 | 62% | 0.622 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -17.3 | 178.7 | 65.1 | 0 | 0 | 0 | 0 | 114.4 | S1056 | S1056-S1059 WeakPolarHBondContact O-CA 3.3Å; S1056-S1059 PolarHBondContact O-N 2.93Å; S1056-S1059 PolarHBondContact O-OG 3.06Å |
| 1060 | L | 25.4 | Very low | 35.2 | Very low | 88 Ų | 88 | 93 Ų | 93 | 46% | 0.461 | 54% | 0.536 | S | S | . | . | trans | -102.9 | 9.9 | -171.9 | -81.4 | 169 | 0 | 0 | 0 | 115.3 | S1056 M1062 C1063 | S1056-L1060 PolarHBondContact O-N 3.03Å; S1056-L1060 VanDerWaalsContact O-N 3.12Å; S1056-L1060 WeakPolarHBondContact OG-CD1 3.19Å; L1060-M1062 PolarHBondContact O-N 3.44Å; L1060-C1063 HydrophobicContact CD2-CB 4.2Å; L1060-C1063 PolarHBondContact O-N 3.08Å | ||
| 1061 | Q | 27.7 | Very low | 33.5 | Very low | 181 Ų | 181 | 97 Ų | 97 | 85% | 0.846 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -2.6 | 167 | -77.4 | -166.6 | -6 | 0 | 0 | 113.9 | ||
| 1062 | M | 25.9 | Very low | 32.3 | Very low | 176 Ų | 176 | 100.7 Ų | 100.7 | 87% | 0.867 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 5.9 | 174.1 | -70.5 | -67.7 | -129 | 0 | 0 | 115.7 | L1060 | L1060-M1062 PolarHBondContact O-N 3.44Š|
| 1063 | C | 21.6 | Very low | 31.2 | Very low | 82 Ų | 82 | 101.5 Ų | 101.5 | 55% | 0.554 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -139.4 | 132.5 | 172.8 | -85.5 | 0 | 0 | 0 | 0 | 113.2 | L1060 | L1060-C1063 HydrophobicContact CD2-CB 4.2Å; L1060-C1063 PolarHBondContact O-N 3.08Å |
| 1064 | P | 26.7 | Very low | 30.3 | Very low | 108 Ų | 108 | 107 Ų | 107 | 70% | 0.701 | 63% | 0.627 | S | S | * | * | trans | -68.9 | 159.1 | -175 | 29.3 | -33.3 | 0 | 0 | 0 | 112.4 | F1066 | P1064-F1066 PolarHBondContact O-N 2.69Š| ||
| 1065 | P | 28.3 | Very low | 29.4 | Very low | 115 Ų | 115 | 116.1 Ų | 116.1 | 75% | 0.747 | 66% | 0.659 | S | S | * | * | trans | -71.2 | 115.7 | -160.4 | 27.8 | -33.7 | 0 | 0 | 0 | 111.9 | A1067 | P1065-A1067 PolarHBondContact O-N 3.16Š| ||
| 1066 | F | 26.3 | Very low | 28.6 | Very low | 202 Ų | 202 | 124.7 Ų | 124.7 | 89% | 0.886 | 69% | 0.687 | S | S | * | * | trans | -73.2 | 69.6 | 163.3 | -86.2 | -89.3 | 0 | 0 | 0 | 109.8 | P1064 | P1064-F1066 PolarHBondContact O-N 2.69Š| ||
| 1067 | A | 29 | Very low | 28 | Very low | 84 Ų | 84 | 130.2 Ų | 130.2 | 69% | 0.694 | 72% | 0.715 | S | S | * | * | trans | -143.8 | 71.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | P1065 | P1065-A1067 PolarHBondContact O-N 3.16Š| ||
| 1068 | S | 27.9 | Very low | 27.7 | Very low | 122 Ų | 122 | 132 Ų | 132 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -176.6 | -3.2 | 158.5 | 42.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1069 | S | 25.4 | Very low | 27.4 | Very low | 89 Ų | 89 | 133.7 Ų | 133.7 | 62% | 0.622 | 73% | 0.731 | S | S | * | * | trans | -129.7 | 57.4 | -173.6 | 59 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1070 | L | 25.1 | Very low | 27.1 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | -124.2 | 87.3 | 162.4 | -77.6 | 165.1 | 0 | 0 | 0 | 109.6 | Q1074 | L1070-Q1074 HydrophobicContact CD2-CB 3.99Š| ||
| 1071 | S | 26.8 | Very low | 27 | Very low | 87 Ų | 87 | 145 Ų | 145 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | trans | -68.8 | 152.5 | 164 | 61.4 | 0 | 0 | 0 | 0 | 109.9 | S1073 Q1074 | S1071-S1073 PolarHBondContact O-N 3.14Å; S1071-Q1074 PolarHBondContact O-N 3.46Å | ||
| 1072 | S | 31.7 | Very low | 27.2 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -4.1 | -165.3 | 49.5 | 0 | 0 | 0 | 0 | 117.5 | ||
| 1073 | S | 29.5 | Very low | 27.2 | Very low | 101 Ų | 101 | 145.3 Ų | 145.3 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -6.4 | -177.9 | 57.3 | 0 | 0 | 0 | 0 | 115.5 | S1071 | S1071-S1073 PolarHBondContact O-N 3.14Š|
| 1074 | Q | 26.5 | Very low | 27.5 | Very low | 140 Ų | 140 | 148.6 Ų | 148.6 | 65% | 0.654 | 80% | 0.797 | S | S | * | * | trans | -100.3 | 16.4 | 179.9 | -71.2 | -168.2 | -12.4 | 0 | 0 | 115.5 | L1070 S1071 R1076 | L1070-Q1074 HydrophobicContact CD2-CB 3.99Å; S1071-Q1074 PolarHBondContact O-N 3.46Å; Q1074-R1076 PolarHBondContact O-N 3.26Å | ||
| 1075 | R | 28.3 | Very low | 27.6 | Very low | 204 Ų | 204 | 150.8 Ų | 150.8 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | -69.1 | 13.8 | 172.6 | -73.7 | -169.3 | -177.6 | -158.1 | -1.2 | 115.1 | E1042 | E1042-R1075 IonicContact OE1-NH1 2.7Å; E1042-R1075 PolarHBondContact OE1-NH1 3.23Å; E1042-R1075 IonicContact OE1-NH2 3Å | ||
| 1076 | R | 26.1 | Very low | 27.5 | Very low | 234 Ų | 234 | 152.9 Ų | 152.9 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -108.8 | 96 | 176.4 | -71.2 | -171.3 | -176.7 | -173.4 | 2 | 110.7 | Q1074 | Q1074-R1076 PolarHBondContact O-N 3.26Š|
| 1077 | L | 28.6 | Very low | 27.6 | Very low | 137 Ų | 137 | 149.9 Ų | 149.9 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | trans | -21.8 | 136.6 | 166.1 | -75.8 | 142.9 | 0 | 0 | 0 | 116.1 | ||||
| 1078 | P | 28.6 | Very low | 27.5 | Very low | 116 Ų | 116 | 154.3 Ų | 154.3 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | -110.9 | 76.5 | 148.8 | 36.5 | -22.9 | 0 | 0 | 0 | 109.6 | ||||
| 1079 | F | 29.4 | Very low | 27.5 | Very low | 194 Ų | 194 | 156.6 Ų | 156.6 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -144.4 | 67.2 | 159.3 | -91.6 | -77 | 0 | 0 | 0 | 108.9 | ||||
| 1080 | L | 24.5 | Very low | 27.7 | Very low | 174 Ų | 174 | 161.8 Ų | 161.8 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | trans | -142.6 | 75 | 161.4 | -89.9 | 172 | 0 | 0 | 0 | 107 | ||||
| 1081 | R | 23.5 | Very low | 27.9 | Very low | 240 Ų | 240 | 163.3 Ų | 163.3 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | trans | -145.4 | 111.8 | 156.1 | -80.5 | -161.8 | 175 | 175.7 | -2 | 109.4 | ||||
| 1082 | T | 31.1 | Very low | 28 | Very low | 218 Ų | 218 | 170.2 Ų | 170.2 | 100% | 1.337 | 84% | 0.844 | S | S | * | * | trans | 59.2 | 0 | 166.4 | 52.3 | 0 | 0 | 0 | 0 | 117.1 |
Retrieved 1,082 of 1,082 residues in 738.2 ms
(Link to these results)