| 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 | F | 32.8 | Very low | 34.8 | Very low | 264 Ų | 264 | 159.5 Ų | 159.5 | 100% | 1.158 | 85% | 0.845 | S | S | * | * | 0 | 155.7 | 0 | -85.6 | -98.3 | 0 | 0 | 0 | 109.7 | R3 | F1-R3 PolarHBondContact O-N 3.41Š| |||
| 2 | L | 32.8 | Very low | 35.8 | Very low | 174 Ų | 174 | 161.6 Ų | 161.6 | 91% | 0.911 | 85% | 0.846 | S | S | * | * | trans | -48.2 | 124 | -165.1 | -66.1 | 159.9 | 0 | 0 | 0 | 114.3 | ||||
| 3 | R | 33.5 | Very low | 36.6 | Very low | 243 Ų | 243 | 162.3 Ų | 162.3 | 92% | 0.917 | 84% | 0.842 | S | S | * | * | trans | -95 | 97.7 | 159.9 | -162.2 | -179.6 | -162.4 | -173.4 | 5.6 | 106.8 | F1 | F1-R3 PolarHBondContact O-N 3.41Š| ||
| 4 | G | 32.7 | Very low | 37.7 | Very low | 51 Ų | 51 | 166.3 Ų | 166.3 | 53% | 0.526 | 84% | 0.841 | S | S | . | * | trans | -60.8 | 160.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V6 | G4-V6 PolarHBondContact O-N 3.33Š| ||
| 5 | P | 36.2 | Very low | 39.2 | Very low | 134 Ų | 134 | 170.9 Ų | 170.9 | 87% | 0.87 | 84% | 0.844 | S | S | * | * | trans | -60.2 | 136.1 | 176.4 | 27 | -34 | 0 | 0 | 0 | 109.8 | A7 | P5-A7 PolarHBondContact O-N 3.4Š| ||
| 6 | V | 34.4 | Very low | 41.1 | Very low | 137 Ų | 137 | 167.9 Ų | 167.9 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | trans | -65.6 | 108.6 | 169.3 | 174.9 | 0 | 0 | 0 | 0 | 106.7 | G4 M8 | G4-V6 PolarHBondContact O-N 3.33Å; V6-M8 PolarHBondContact O-N 3.12Å | ||
| 7 | A | 33.6 | Very low | 43.1 | Very low | 83 Ų | 83 | 164.1 Ų | 164.1 | 69% | 0.686 | 83% | 0.826 | S | S | * | * | trans | -54.2 | 131.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | P5 A9 | P5-A7 PolarHBondContact O-N 3.4Å; A7-A9 PolarHBondContact O-N 3.38Å | ||
| 8 | M | 33.1 | Very low | 45.5 | Very low | 187 Ų | 187 | 162.6 Ų | 162.6 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | -57.4 | 105.9 | 168 | -74.4 | -73 | -159.8 | 0 | 0 | 106.5 | V6 D10 | V6-M8 PolarHBondContact O-N 3.12Å; M8-D10 PolarHBondContact O-N 3.45Å | ||
| 9 | A | 36.3 | Very low | 47.8 | Very low | 91 Ų | 91 | 156.5 Ų | 156.5 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -57.7 | 128.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | A7 R11 | A7-A9 PolarHBondContact O-N 3.38Å; A9-R11 PolarHBondContact O-N 3.04Å | ||
| 10 | D | 36.5 | Very low | 49.9 | Very low | 155 Ų | 155 | 151.3 Ų | 151.3 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | trans | -48.2 | 135.5 | 167.6 | -90.8 | -48.5 | 0 | 0 | 0 | 107.9 | M8 E12 | M8-D10 PolarHBondContact O-N 3.45Å; D10-E12 PolarHBondContact O-N 3.3Å | ||
| 11 | R | 41.3 | Very low | 51.8 | Low | 236 Ų | 236 | 149.6 Ų | 149.6 | 89% | 0.891 | 75% | 0.751 | S | S | * | * | trans | -59.5 | 115 | 163.7 | -81.6 | 179.1 | 167.2 | 178.3 | -2.9 | 105.1 | A9 E13 | A9-R11 PolarHBondContact O-N 3.04Å; R11-E13 PolarHBondContact O-N 2.95Å | ||
| 12 | E | 46.8 | Very low | 54.6 | Low | 184 Ų | 184 | 140.7 Ų | 140.7 | 86% | 0.86 | 72% | 0.716 | S | S | * | * | trans | -56.2 | 92.9 | 159.6 | -68.6 | -177.6 | 136.1 | 0 | 0 | 106.8 | D10 R14 | D10-E12 PolarHBondContact O-N 3.3Å; E12-R14 PolarHBondContact O-N 2.9Å; E12-R14 VanDerWaalsContact O-N 3.11Å | ||
| 13 | E | 46.6 | Very low | 57.3 | Low | 171 Ų | 171 | 135.2 Ų | 135.2 | 80% | 0.799 | 69% | 0.692 | S | S | * | * | trans | -50.8 | 121.4 | 159 | -66.6 | -163.7 | 134.5 | 0 | 0 | 105.1 | R11 R15 | R11-E13 PolarHBondContact O-N 2.95Å; E13-R15 PolarHBondContact O-N 3.19Å | ||
| 14 | R | 51.6 | Low | 60.1 | Low | 218 Ų | 218 | 124.5 Ų | 124.5 | 82% | 0.823 | 65% | 0.654 | S | S | * | * | trans | -69.7 | 82.6 | -172.5 | -68.8 | 179.1 | 178.8 | 166.5 | -0.8 | 108.4 | E12 F16 | E12-R14 PolarHBondContact O-N 2.9Å; E12-R14 VanDerWaalsContact O-N 3.11Å; R14-F16 WeakPolarHBondContact O-CD2 3.36Å; R14-F16 PolarHBondContact O-N 2.73Å | ||
| 15 | R | 60.4 | Low | 63 | Low | 236 Ų | 236 | 124 Ų | 124 | 89% | 0.891 | 64% | 0.637 | S | S | * | * | trans | -49.4 | 112.7 | 168.9 | -69 | -171.9 | 178.6 | -165.8 | -0.8 | 105.8 | E13 | E13-R15 PolarHBondContact O-N 3.19Š| ||
| 16 | F | 68.7 | Low | 65.6 | Low | 123 Ų | 123 | 121.9 Ų | 121.9 | 54% | 0.539 | 62% | 0.618 | S | S | . | * | trans | -67.6 | 153.6 | 178 | -66.3 | -83 | 0 | 0 | 0 | 107.2 | R14 E18 | R14-F16 WeakPolarHBondContact O-CD2 3.36Å; R14-F16 PolarHBondContact O-N 2.73Å; F16-E18 PolarHBondContact O-N 3.19Å | ||
| 17 | A | 75.9 | Confident | 68.3 | Low | 102 Ų | 102 | 121.5 Ų | 121.5 | 84% | 0.843 | 61% | 0.608 | S | S | * | * | trans | -65.3 | 107.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 18 | E | 85.4 | Confident | 71.1 | Confident | 137 Ų | 137 | 118.1 Ų | 118.1 | 64% | 0.64 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 132.4 | -178.2 | -77.4 | 159.3 | -157.9 | 0 | 0 | 109.1 | F16 | F16-E18 PolarHBondContact O-N 3.19Š|
| 19 | V | 89.1 | Confident | 74 | Confident | 47 Ų | 47 | 114.1 Ų | 114.1 | 29% | 0.285 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -71.5 | 128.6 | 173.3 | 177.5 | 0 | 0 | 0 | 0 | 107.3 | V24 V47 C48 L51 | V19-V24 HydrophobicContact CG1-CG2 4.23Å; V19-V47 HydrophobicContact CG2-CG1 4.09Å; V19-C48 PolarHBondContact N-SG 3.49Å; V19-L51 HydrophobicContact CG2-CD1 3.96Å |
| 20 | S | 89.6 | Confident | 76.6 | Confident | 52 Ų | 52 | 114 Ų | 114 | 36% | 0.364 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -66.3 | 141.8 | 178 | 67.3 | 0 | 0 | 0 | 0 | 110.6 | D22 S23 V24 | S20-D22 PolarHBondContact O-N 2.91Å; S20-D22 VanDerWaalsContact O-N 3.14Å; S20-S23 VanDerWaalsContact O-CB 3.29Å; S20-S23 WeakPolarHBondContact O-CB 3.4Å; S20-S23 PolarHBondContact O-N 3.45Å; S20-S23 PolarHBondContact OG-N 3.37Å; S20-S23 VanDerWaalsContact OG-N 3.12Å; S20-S23 PolarHBondContact OG-OG 3.15Å; S20-V24 PolarHBondContact O-N 2.66Å |
| 21 | R | 91.2 | Very high | 79.4 | Confident | 116 Ų | 116 | 111.6 Ų | 111.6 | 44% | 0.438 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -52.9 | -32 | 170.5 | 67.1 | -173.1 | -178.9 | 161.2 | 3.9 | 111.8 | V24 K25 D37 A40 | R21-V24 WeakPolarHBondContact O-CB 3.29Å; R21-V24 PolarHBondContact O-N 3.37Å; R21-V24 VanDerWaalsContact O-N 3.12Å; R21-K25 PolarHBondContact O-N 2.95Å; R21-D37 IonicContact CZ-OD2 2.74Å; R21-D37 IonicContact NH1-OD2 3.35Å; R21-D37 PolarHBondContact NH1-OD2 3.01Å; R21-D37 IonicContact NH2-OD2 2.68Å; R21-A40 HydrophobicContact CB-CB 4.21Å |
| 22 | D | 90.2 | Very high | 81.9 | Confident | 77 Ų | 77 | 103.8 Ų | 103.8 | 41% | 0.412 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.2 | -32.7 | -179.8 | -37.6 | -71.2 | 0 | 0 | 0 | 110.9 | S20 V24 K25 L26 | S20-D22 PolarHBondContact O-N 2.91Å; S20-D22 VanDerWaalsContact O-N 3.14Å; D22-V24 VanDerWaalsContact C-N 3.29Å; D22-V24 PolarHBondContact O-N 3.04Å; D22-K25 PolarHBondContact O-N 3.18Å; D22-L26 WeakPolarHBondContact O-CB 3.47Å; D22-L26 VanDerWaalsContact O-CG 3.31Å; D22-L26 WeakPolarHBondContact O-CG 3.46Å; D22-L26 PolarHBondContact O-N 3.46Å |
| 23 | S | 90.5 | Very high | 84.1 | Confident | 59 Ų | 59 | 98.4 Ų | 98.4 | 41% | 0.413 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -34.8 | 168.4 | -54.3 | 0 | 0 | 0 | 0 | 112.2 | S20 M27 | S20-S23 VanDerWaalsContact O-CB 3.29Å; S20-S23 WeakPolarHBondContact O-CB 3.4Å; S20-S23 PolarHBondContact O-N 3.45Å; S20-S23 PolarHBondContact OG-N 3.37Å; S20-S23 VanDerWaalsContact OG-N 3.12Å; S20-S23 PolarHBondContact OG-OG 3.15Å; S23-M27 WeakPolarHBondContact O-CB 3.41Å; S23-M27 PolarHBondContact O-N 3.36Å |
| 24 | V | 92.6 | Very high | 86.4 | Confident | 19 Ų | 19 | 96.9 Ų | 96.9 | 12% | 0.115 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -73.2 | -39.7 | 177.5 | -179 | 0 | 0 | 0 | 0 | 110.9 | V19 S20 R21 D22 M27 A28 L35 L43 A44 | V19-V24 HydrophobicContact CG1-CG2 4.23Å; S20-V24 PolarHBondContact O-N 2.66Å; R21-V24 WeakPolarHBondContact O-CB 3.29Å; R21-V24 PolarHBondContact O-N 3.37Å; R21-V24 VanDerWaalsContact O-N 3.12Å; D22-V24 VanDerWaalsContact C-N 3.29Å; D22-V24 PolarHBondContact O-N 3.04Å; V24-M27 PolarHBondContact O-N 2.83Å; V24-A28 PolarHBondContact O-N 3.2Å; V24-L35 HydrophobicContact CG1-CD1 4.27Å; V24-L43 HydrophobicContact CG1-CB 3.91Å; V24-L43 HydrophobicContact CG1-CD1 4.24Å; V24-A44 HydrophobicContact CG2-CB 3.95Å |
| 25 | K | 92.9 | Very high | 88.4 | Confident | 40 Ų | 40 | 88 Ų | 88 | 17% | 0.174 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -59.7 | -53.8 | 172.2 | -73.7 | -173.5 | 172.3 | -167.7 | 0 | 111.8 | R21 D22 M27 A28 E29 L35 D37 A40 | R21-K25 PolarHBondContact O-N 2.95Å; D22-K25 PolarHBondContact O-N 3.18Å; K25-M27 PolarHBondContact O-N 2.98Å; K25-A28 CarbonylContact O-C 3.35Å; K25-A28 WeakPolarHBondContact O-CA 3.23Å; K25-A28 WeakPolarHBondContact O-CB 3.28Å; K25-A28 PolarHBondContact O-N 3Å; K25-E29 WeakPolarHBondContact O-CG 3.27Å; K25-E29 PolarHBondContact O-N 3.23Å; K25-L35 VanDerWaalsContact CE-O 3.27Å; K25-L35 WeakPolarHBondContact CE-O 3.46Å; K25-D37 IonicContact NZ-OD1 3.1Å; K25-D37 PolarHBondContact NZ-OD1 3.27Å; K25-D37 IonicContact NZ-OD2 2.69Å; K25-A40 HydrophobicContact CG-CB 3.89Å |
| 26 | L | 90.1 | Very high | 90 | Very high | 89 Ų | 89 | 79.8 Ų | 79.8 | 47% | 0.466 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -56.7 | -35.3 | 178.1 | -71.1 | 169 | 0 | 0 | 0 | 112.7 | D22 S30 L106 | D22-L26 WeakPolarHBondContact O-CB 3.47Å; D22-L26 VanDerWaalsContact O-CG 3.31Å; D22-L26 WeakPolarHBondContact O-CG 3.46Å; D22-L26 PolarHBondContact O-N 3.46Å; L26-S30 PolarHBondContact O-N 3.48Å; L26-L106 HydrophobicContact CD1-CD2 4.42Å |
| 27 | M | 91.6 | Very high | 91.1 | Very high | 129 Ų | 129 | 77 Ų | 77 | 64% | 0.635 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66.8 | -43.1 | 174 | -171.8 | 60.1 | 57.5 | 0 | 0 | 112 | S23 V24 K25 S30 T31 | S23-M27 WeakPolarHBondContact O-CB 3.41Å; S23-M27 PolarHBondContact O-N 3.36Å; V24-M27 PolarHBondContact O-N 2.83Å; K25-M27 PolarHBondContact O-N 2.98Å; M27-S30 PolarHBondContact O-N 3.22Å; M27-S30 PolarHBondContact O-OG 3.05Å; M27-T31 PolarHBondContact O-N 3Å |
| 28 | A | 93.8 | Very high | 92 | Very high | 12 Ų | 12 | 78.4 Ų | 78.4 | 10% | 0.099 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -67.2 | -41.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V24 K25 S30 T31 G32 V33 L35 | V24-A28 PolarHBondContact O-N 3.2Å; K25-A28 CarbonylContact O-C 3.35Å; K25-A28 WeakPolarHBondContact O-CA 3.23Å; K25-A28 WeakPolarHBondContact O-CB 3.28Å; K25-A28 PolarHBondContact O-N 3Å; A28-S30 VanDerWaalsContact C-N 3.27Å; A28-S30 PolarHBondContact O-N 3Å; A28-T31 CarbonylContact O-C 3.59Å; A28-T31 WeakPolarHBondContact O-CA 3.49Å; A28-T31 PolarHBondContact O-N 3.01Å; A28-T31 PolarHBondContact O-OG1 3.13Å; A28-G32 PolarHBondContact O-N 3.25Å; A28-V33 CarbonylContact C-O 3.3Å; A28-V33 HydrophobicContact CB-CB 4.38Å; A28-V33 VanDerWaalsContact CB-O 3.29Å; A28-V33 WeakPolarHBondContact CB-O 3.47Å; A28-V33 PolarHBondContact O-N 3.11Å; A28-L35 HydrophobicContact CB-CD1 3.46Å; A28-L35 VanDerWaalsContact CB-CD1 3.46Å; A28-L35 HydrophobicContact CB-CG 3.68Å |
| 29 | E | 92.9 | Very high | 92.4 | Very high | 103 Ų | 103 | 75.2 Ų | 75.2 | 48% | 0.481 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.4 | -39.6 | 173.7 | -72.2 | 167.8 | -142.5 | 0 | 0 | 111.1 | K25 T31 G32 V33 | K25-E29 WeakPolarHBondContact O-CG 3.27Å; K25-E29 PolarHBondContact O-N 3.23Å; E29-T31 PolarHBondContact O-N 2.72Å; E29-G32 PolarHBondContact O-N 3.25Å; E29-V33 PolarHBondContact N-O 3.2Å |
| 30 | S | 91.9 | Very high | 92.7 | Very high | 90 Ų | 90 | 73 Ų | 73 | 63% | 0.629 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.3 | -22.4 | 174.1 | 84.9 | 0 | 0 | 0 | 0 | 113.5 | L26 M27 A28 | L26-S30 PolarHBondContact O-N 3.48Å; M27-S30 PolarHBondContact O-N 3.22Å; M27-S30 PolarHBondContact O-OG 3.05Å; A28-S30 VanDerWaalsContact C-N 3.27Å; A28-S30 PolarHBondContact O-N 3Å |
| 31 | T | 94 | Very high | 92.8 | Very high | 103 Ų | 103 | 72.8 Ų | 72.8 | 63% | 0.632 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 3.5 | 171.8 | 66.2 | 0 | 0 | 0 | 0 | 114.1 | M27 A28 E29 | M27-T31 PolarHBondContact O-N 3Å; A28-T31 CarbonylContact O-C 3.59Å; A28-T31 WeakPolarHBondContact O-CA 3.49Å; A28-T31 PolarHBondContact O-N 3.01Å; A28-T31 PolarHBondContact O-OG1 3.13Å; E29-T31 PolarHBondContact O-N 2.72Å |
| 32 | G | 93.3 | Very high | 92.9 | Very high | 72 Ų | 72 | 73 Ų | 73 | 74% | 0.742 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 23.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A28 E29 | A28-G32 PolarHBondContact O-N 3.25Å; E29-G32 PolarHBondContact O-N 3.25Å |
| 33 | V | 94.6 | Very high | 93.1 | Very high | 71 Ų | 71 | 73 Ų | 73 | 43% | 0.43 | 44% | 0.436 | S | S | . | . | trans | -121.9 | 124.1 | -177.2 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | A28 E29 L35 | A28-V33 CarbonylContact C-O 3.3Å; A28-V33 HydrophobicContact CB-CB 4.38Å; A28-V33 VanDerWaalsContact CB-O 3.29Å; A28-V33 WeakPolarHBondContact CB-O 3.47Å; A28-V33 PolarHBondContact O-N 3.11Å; E29-V33 PolarHBondContact N-O 3.2Å; V33-L35 HydrophobicContact CG1-CD2 4.32Å | ||
| 34 | D | 93.7 | Very high | 93.3 | Very high | 140 Ų | 140 | 70.6 Ų | 70.6 | 75% | 0.749 | 42% | 0.42 | S | S | * | . | trans | -84.9 | 143.9 | 170.2 | -170.9 | 4.6 | 0 | 0 | 0 | 110.5 | ||||
| 35 | L | 93.1 | Very high | 93.2 | Very high | 31 Ų | 31 | 75.9 Ų | 75.9 | 16% | 0.162 | 44% | 0.443 | C | S | . | . | trans | -129.8 | 124.5 | -175.8 | -73.1 | -176.8 | 0 | 0 | 0 | 112.2 | V24 K25 A28 V33 V39 L43 | V24-L35 HydrophobicContact CG1-CD1 4.27Å; K25-L35 VanDerWaalsContact CE-O 3.27Å; K25-L35 WeakPolarHBondContact CE-O 3.46Å; A28-L35 HydrophobicContact CB-CD1 3.46Å; A28-L35 VanDerWaalsContact CB-CD1 3.46Å; A28-L35 HydrophobicContact CB-CG 3.68Å; V33-L35 HydrophobicContact CG1-CD2 4.32Å; L35-V39 HydrophobicContact CD2-CG1 4.26Å; L35-L43 HydrophobicContact CD1-CD1 4.08Å | ||
| 36 | A | 94.8 | Very high | 93.3 | Very high | 64 Ų | 64 | 77.8 Ų | 77.8 | 53% | 0.529 | 46% | 0.455 | S | S | . | . | trans | -59.7 | 142 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D38 V39 A40 | A36-D38 VanDerWaalsContact C-N 3.29Å; A36-D38 PolarHBondContact O-N 3.12Å; A36-D38 VanDerWaalsContact O-N 3.17Å; A36-V39 PolarHBondContact O-N 2.84Å; A36-A40 PolarHBondContact O-N 3.31Å | ||
| 37 | D | 92.7 | Very high | 93.4 | Very high | 65 Ų | 65 | 76.5 Ų | 76.5 | 35% | 0.348 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -49.5 | -43.2 | -175.2 | -76.8 | 57.3 | 0 | 0 | 0 | 114.2 | R21 K25 V39 A40 A41 | R21-D37 IonicContact CZ-OD2 2.74Å; R21-D37 IonicContact NH1-OD2 3.35Å; R21-D37 PolarHBondContact NH1-OD2 3.01Å; R21-D37 IonicContact NH2-OD2 2.68Å; K25-D37 IonicContact NZ-OD1 3.1Å; K25-D37 PolarHBondContact NZ-OD1 3.27Å; K25-D37 IonicContact NZ-OD2 2.69Å; D37-V39 VanDerWaalsContact C-N 3.32Å; D37-V39 PolarHBondContact O-N 3.41Å; D37-A40 PolarHBondContact O-N 3.45Å; D37-A41 WeakPolarHBondContact O-CB 3.35Å; D37-A41 PolarHBondContact O-N 3.49Å |
| 38 | D | 94 | Very high | 93.5 | Very high | 131 Ų | 131 | 70.6 Ų | 70.6 | 70% | 0.701 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.7 | -37.8 | -178.8 | -56.6 | -36.7 | 0 | 0 | 0 | 112 | A36 L42 | A36-D38 VanDerWaalsContact C-N 3.29Å; A36-D38 PolarHBondContact O-N 3.12Å; A36-D38 VanDerWaalsContact O-N 3.17Å; D38-L42 WeakPolarHBondContact O-CG 3.49Å; D38-L42 PolarHBondContact O-N 3.08Å; D38-L42 VanDerWaalsContact O-N 3.14Å |
| 39 | V | 94.5 | Very high | 93.4 | Very high | 69 Ų | 69 | 76.2 Ų | 76.2 | 42% | 0.418 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -73.4 | -42.5 | 178.3 | -177 | 0 | 0 | 0 | 0 | 110.2 | L35 A36 D37 A41 L42 L43 | L35-V39 HydrophobicContact CD2-CG1 4.26Å; A36-V39 PolarHBondContact O-N 2.84Å; D37-V39 VanDerWaalsContact C-N 3.32Å; D37-V39 PolarHBondContact O-N 3.41Å; V39-A41 VanDerWaalsContact C-N 3.3Å; V39-A41 PolarHBondContact O-N 3.04Å; V39-L42 PolarHBondContact O-N 3.17Å; V39-L43 HydrophobicContact CG1-CD1 3.98Å; V39-L43 HydrophobicContact CG1-CG 4.43Å; V39-L43 WeakPolarHBondContact O-CB 3.31Å; V39-L43 VanDerWaalsContact O-CG 3.31Å; V39-L43 WeakPolarHBondContact O-CG 3.35Å; V39-L43 PolarHBondContact O-N 3.44Å |
| 40 | A | 93.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62.5 | -36.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R21 K25 A36 D37 A44 | R21-A40 HydrophobicContact CB-CB 4.21Å; K25-A40 HydrophobicContact CG-CB 3.89Å; A36-A40 PolarHBondContact O-N 3.31Å; D37-A40 PolarHBondContact O-N 3.45Å; A40-A44 WeakPolarHBondContact O-CB 3.29Å; A40-A44 PolarHBondContact O-N 2.84Å |
| 41 | A | 92 | Very high | 93.4 | Very high | 48 Ų | 48 | 78 Ų | 78 | 40% | 0.397 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67 | -47 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D37 V39 L43 A44 E45 | D37-A41 WeakPolarHBondContact O-CB 3.35Å; D37-A41 PolarHBondContact O-N 3.49Å; V39-A41 VanDerWaalsContact C-N 3.3Å; V39-A41 PolarHBondContact O-N 3.04Å; A41-L43 PolarHBondContact O-N 2.98Å; A41-A44 WeakPolarHBondContact O-CB 3.38Å; A41-A44 PolarHBondContact O-N 3.42Å; A41-E45 PolarHBondContact O-N 3.34Å; A41-E45 VanDerWaalsContact O-N 3.11Å |
| 42 | L | 94.1 | Very high | 93.3 | Very high | 121 Ų | 121 | 77.2 Ų | 77.2 | 63% | 0.634 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.2 | -39.7 | 177.6 | -71 | 169.9 | 0 | 0 | 0 | 112.4 | D38 V39 E45 D46 | D38-L42 WeakPolarHBondContact O-CG 3.49Å; D38-L42 PolarHBondContact O-N 3.08Å; D38-L42 VanDerWaalsContact O-N 3.14Å; V39-L42 PolarHBondContact O-N 3.17Å; L42-E45 PolarHBondContact O-N 3.03Å; L42-D46 PolarHBondContact O-N 3.48Å |
| 43 | L | 94.7 | Very high | 93.2 | Very high | 78 Ų | 78 | 77 Ų | 77 | 41% | 0.408 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.7 | -38.9 | 174.5 | -73.4 | 172.2 | 0 | 0 | 0 | 112 | V24 L35 V39 A41 E45 D46 V47 | V24-L43 HydrophobicContact CG1-CB 3.91Å; V24-L43 HydrophobicContact CG1-CD1 4.24Å; L35-L43 HydrophobicContact CD1-CD1 4.08Å; V39-L43 HydrophobicContact CG1-CD1 3.98Å; V39-L43 HydrophobicContact CG1-CG 4.43Å; V39-L43 WeakPolarHBondContact O-CB 3.31Å; V39-L43 VanDerWaalsContact O-CG 3.31Å; V39-L43 WeakPolarHBondContact O-CG 3.35Å; V39-L43 PolarHBondContact O-N 3.44Å; A41-L43 PolarHBondContact O-N 2.98Å; L43-E45 VanDerWaalsContact C-N 3.31Å; L43-E45 PolarHBondContact O-N 3.49Å; L43-D46 PolarHBondContact O-N 3Å; L43-V47 WeakPolarHBondContact O-CB 3.41Å; L43-V47 VanDerWaalsContact O-CG2 3.29Å; L43-V47 WeakPolarHBondContact O-CG2 3.4Å; L43-V47 PolarHBondContact O-N 3.39Å |
| 44 | A | 93.6 | Very high | 93.2 | Very high | 8 Ų | 8 | 74.4 Ų | 74.4 | 7% | 0.066 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.2 | -40 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | V24 A40 A41 C48 | V24-A44 HydrophobicContact CG2-CB 3.95Å; A40-A44 WeakPolarHBondContact O-CB 3.29Å; A40-A44 PolarHBondContact O-N 2.84Å; A41-A44 WeakPolarHBondContact O-CB 3.38Å; A41-A44 PolarHBondContact O-N 3.42Å; A44-C48 WeakPolarHBondContact O-CB 3.28Å; A44-C48 PolarHBondContact O-N 3.42Å; A44-C48 PolarHBondContact O-SG 2.9Å |
| 45 | E | 91.9 | Very high | 93.2 | Very high | 129 Ų | 129 | 70.2 Ų | 70.2 | 60% | 0.603 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -65.5 | -46.2 | 178.6 | -167.7 | 179.7 | -179.7 | 0 | 0 | 112.9 | A41 L42 L43 C48 Y49 | A41-E45 PolarHBondContact O-N 3.34Å; A41-E45 VanDerWaalsContact O-N 3.11Å; L42-E45 PolarHBondContact O-N 3.03Å; L43-E45 VanDerWaalsContact C-N 3.31Å; L43-E45 PolarHBondContact O-N 3.49Å; E45-C48 CarbonylContact O-C 3.02Å; E45-C48 WeakPolarHBondContact O-CB 3.2Å; E45-C48 PolarHBondContact O-N 3Å; E45-Y49 PolarHBondContact O-N 3.39Å |
| 46 | D | 93.8 | Very high | 93.3 | Very high | 80 Ų | 80 | 74.2 Ų | 74.2 | 43% | 0.428 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | 176.4 | -176.3 | 53.3 | 0 | 0 | 0 | 111.3 | L42 L43 C48 Y49 R50 | L42-D46 PolarHBondContact O-N 3.48Å; L43-D46 PolarHBondContact O-N 3Å; D46-C48 VanDerWaalsContact C-N 3.27Å; D46-C48 PolarHBondContact O-N 3.14Å; D46-Y49 CarbonylContact O-C 3.59Å; D46-Y49 WeakPolarHBondContact O-CA 3.46Å; D46-Y49 WeakPolarHBondContact O-CB 3.5Å; D46-Y49 PolarHBondContact O-N 2.92Å; D46-R50 WeakPolarHBondContact O-CG 3.31Å; D46-R50 PolarHBondContact O-N 3.39Å; D46-R50 IonicContact OD1-NE 3.41Å; D46-R50 PolarHBondContact OD1-NE 3.12Å; D46-R50 IonicContact OD2-NE 3.94Å |
| 47 | V | 93.8 | Very high | 93.4 | Very high | 62 Ų | 62 | 72.2 Ų | 72.2 | 38% | 0.376 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.7 | -43.3 | 173.2 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | V19 L43 Y49 R50 L51 | V19-V47 HydrophobicContact CG2-CG1 4.09Å; L43-V47 WeakPolarHBondContact O-CB 3.41Å; L43-V47 VanDerWaalsContact O-CG2 3.29Å; L43-V47 WeakPolarHBondContact O-CG2 3.4Å; L43-V47 PolarHBondContact O-N 3.39Å; V47-Y49 PolarHBondContact O-N 3.07Å; V47-R50 PolarHBondContact O-N 3.06Å; V47-L51 HydrophobicContact CG1-CD1 3.93Å; V47-L51 HydrophobicContact CG1-CG 4.4Å; V47-L51 WeakPolarHBondContact O-CB 3.48Å; V47-L51 VanDerWaalsContact O-CG 3.28Å; V47-L51 WeakPolarHBondContact O-CG 3.42Å; V47-L51 PolarHBondContact O-N 2.9Å |
| 48 | C | 92.4 | Very high | 93.6 | Very high | 5 Ų | 5 | 69.2 Ų | 69.2 | 3% | 0.034 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.9 | -36.7 | 174.4 | -67.1 | 0 | 0 | 0 | 0 | 112.8 | V19 A44 E45 D46 R52 | V19-C48 PolarHBondContact N-SG 3.49Å; A44-C48 WeakPolarHBondContact O-CB 3.28Å; A44-C48 PolarHBondContact O-N 3.42Å; A44-C48 PolarHBondContact O-SG 2.9Å; E45-C48 CarbonylContact O-C 3.02Å; E45-C48 WeakPolarHBondContact O-CB 3.2Å; E45-C48 PolarHBondContact O-N 3Å; D46-C48 VanDerWaalsContact C-N 3.27Å; D46-C48 PolarHBondContact O-N 3.14Å; C48-R52 WeakPolarHBondContact O-CB 3.25Å; C48-R52 VanDerWaalsContact O-CG 3.24Å; C48-R52 WeakPolarHBondContact O-CG 3.42Å; C48-R52 PolarHBondContact O-N 2.9Å; C48-R52 VanDerWaalsContact O-N 3.13Å; C48-R52 PolarHBondContact O-NE 3.17Å |
| 49 | Y | 91.8 | Very high | 93.7 | Very high | 131 Ų | 131 | 64 Ų | 64 | 51% | 0.514 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.4 | -48.8 | 172.8 | 179.2 | -92.9 | 0 | 0 | 0 | 111.4 | E45 D46 V47 L51 R52 E53 | E45-Y49 PolarHBondContact O-N 3.39Å; D46-Y49 CarbonylContact O-C 3.59Å; D46-Y49 WeakPolarHBondContact O-CA 3.46Å; D46-Y49 WeakPolarHBondContact O-CB 3.5Å; D46-Y49 PolarHBondContact O-N 2.92Å; V47-Y49 PolarHBondContact O-N 3.07Å; Y49-L51 PolarHBondContact O-N 3.2Å; Y49-R52 PolarHBondContact O-N 3.18Å; Y49-E53 PolarHBondContact O-N 2.97Å |
| 50 | R | 91.9 | Very high | 93.8 | Very high | 128 Ų | 128 | 65 Ų | 65 | 48% | 0.483 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 178.6 | -62.7 | -54.5 | 175.7 | 175 | 3.8 | 113.5 | D46 V47 R52 E53 A54 | D46-R50 WeakPolarHBondContact O-CG 3.31Å; D46-R50 PolarHBondContact O-N 3.39Å; D46-R50 IonicContact OD1-NE 3.41Å; D46-R50 PolarHBondContact OD1-NE 3.12Å; D46-R50 IonicContact OD2-NE 3.94Å; V47-R50 PolarHBondContact O-N 3.06Å; R50-R52 VanDerWaalsContact C-N 3.34Å; R50-E53 WeakPolarHBondContact CD-OE2 3.4Å; R50-E53 IonicContact CZ-OE2 3.82Å; R50-E53 IonicContact NH1-OE1 3.98Å; R50-E53 IonicContact NH1-OE2 2.84Å; R50-E53 PolarHBondContact NH1-OE2 2.69Å; R50-E53 PolarHBondContact O-N 3.33Å; R50-A54 WeakPolarHBondContact O-CB 3.38Å; R50-A54 PolarHBondContact O-N 3.45Å |
| 51 | L | 92.1 | Very high | 93.9 | Very high | 102 Ų | 102 | 67.8 Ų | 67.8 | 53% | 0.534 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 173.9 | -71.7 | 171.4 | 0 | 0 | 0 | 111.5 | V19 V47 Y49 A55 | V19-L51 HydrophobicContact CG2-CD1 3.96Å; V47-L51 HydrophobicContact CG1-CD1 3.93Å; V47-L51 HydrophobicContact CG1-CG 4.4Å; V47-L51 WeakPolarHBondContact O-CB 3.48Å; V47-L51 VanDerWaalsContact O-CG 3.28Å; V47-L51 WeakPolarHBondContact O-CG 3.42Å; V47-L51 PolarHBondContact O-N 2.9Å; Y49-L51 PolarHBondContact O-N 3.2Å; L51-A55 VanDerWaalsContact O-CB 3.22Å; L51-A55 WeakPolarHBondContact O-CB 3.43Å; L51-A55 PolarHBondContact O-N 3.37Å |
| 52 | R | 92 | Very high | 94.2 | Very high | 87 Ų | 87 | 66.6 Ų | 66.6 | 33% | 0.328 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 174.4 | -73 | 175 | -73.2 | -162.3 | 1.7 | 112.1 | C48 Y49 R50 Q56 | C48-R52 WeakPolarHBondContact O-CB 3.25Å; C48-R52 VanDerWaalsContact O-CG 3.24Å; C48-R52 WeakPolarHBondContact O-CG 3.42Å; C48-R52 PolarHBondContact O-N 2.9Å; C48-R52 VanDerWaalsContact O-N 3.13Å; C48-R52 PolarHBondContact O-NE 3.17Å; Y49-R52 PolarHBondContact O-N 3.18Å; R50-R52 VanDerWaalsContact C-N 3.34Å; R52-Q56 VanDerWaalsContact O-CB 3.31Å; R52-Q56 WeakPolarHBondContact O-CB 3.42Å; R52-Q56 PolarHBondContact O-N 3.4Å |
| 53 | E | 92.6 | Very high | 94.3 | Very high | 68 Ų | 68 | 69.1 Ų | 69.1 | 32% | 0.318 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.4 | -48.6 | 174.3 | -178.1 | 176.9 | -152 | 0 | 0 | 111.9 | Y49 R50 Q56 T57 | Y49-E53 PolarHBondContact O-N 2.97Å; R50-E53 WeakPolarHBondContact CD-OE2 3.4Å; R50-E53 IonicContact CZ-OE2 3.82Å; R50-E53 IonicContact NH1-OE1 3.98Å; R50-E53 IonicContact NH1-OE2 2.84Å; R50-E53 PolarHBondContact NH1-OE2 2.69Å; R50-E53 PolarHBondContact O-N 3.33Å; E53-Q56 PolarHBondContact O-N 3.25Å; E53-T57 WeakPolarHBondContact O-CB 3.34Å; E53-T57 PolarHBondContact O-N 2.93Å; E53-T57 PolarHBondContact O-OG1 3.48Å |
| 54 | A | 93.8 | Very high | 94.3 | Very high | 15 Ų | 15 | 72.9 Ų | 72.9 | 12% | 0.124 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.4 | -41 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R50 T57 S58 L75 | R50-A54 WeakPolarHBondContact O-CB 3.38Å; R50-A54 PolarHBondContact O-N 3.45Å; A54-T57 PolarHBondContact O-N 3.11Å; A54-S58 WeakPolarHBondContact O-CB 3.37Å; A54-S58 PolarHBondContact O-N 3.32Å; A54-S58 PolarHBondContact O-OG 3.21Å; A54-L75 HydrophobicContact CB-CD1 4.34Å |
| 55 | A | 93.8 | Very high | 94.4 | Very high | 53 Ų | 53 | 74.8 Ų | 74.8 | 44% | 0.438 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L51 S58 S59 | L51-A55 VanDerWaalsContact O-CB 3.22Å; L51-A55 WeakPolarHBondContact O-CB 3.43Å; L51-A55 PolarHBondContact O-N 3.37Å; A55-S58 WeakPolarHBondContact CA-OG 3.36Å; A55-S58 PolarHBondContact O-OG 3.23Å; A55-S58 VanDerWaalsContact O-OG 3.12Å; A55-S59 VanDerWaalsContact O-CB 3.25Å; A55-S59 WeakPolarHBondContact O-CB 3.47Å; A55-S59 PolarHBondContact O-N 3.15Å |
| 56 | Q | 94.9 | Very high | 94.6 | Very high | 114 Ų | 114 | 78 Ų | 78 | 53% | 0.533 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66 | -41.9 | 176.2 | 175.8 | 63.7 | -14.4 | 0 | 0 | 111.7 | R52 E53 S59 Q60 | R52-Q56 VanDerWaalsContact O-CB 3.31Å; R52-Q56 WeakPolarHBondContact O-CB 3.42Å; R52-Q56 PolarHBondContact O-N 3.4Å; E53-Q56 PolarHBondContact O-N 3.25Å; Q56-S59 WeakPolarHBondContact O-CB 3.45Å; Q56-S59 PolarHBondContact O-N 3.02Å; Q56-Q60 WeakPolarHBondContact O-CG 3.47Å; Q56-Q60 PolarHBondContact O-N 3.03Å |
| 57 | T | 96.4 | Very high | 94.6 | Very high | 23 Ų | 23 | 77.7 Ų | 77.7 | 14% | 0.141 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -71 | -40.1 | -179 | -55.4 | 0 | 0 | 0 | 0 | 112 | E53 A54 Q60 F61 A78 | E53-T57 WeakPolarHBondContact O-CB 3.34Å; E53-T57 PolarHBondContact O-N 2.93Å; E53-T57 PolarHBondContact O-OG1 3.48Å; A54-T57 PolarHBondContact O-N 3.11Å; T57-Q60 WeakPolarHBondContact O-CB 3.44Å; T57-Q60 PolarHBondContact O-N 3.16Å; T57-F61 HydrophobicContact CG2-CD2 4.34Å; T57-F61 HydrophobicContact CG2-CE2 3.91Å; T57-F61 WeakPolarHBondContact O-CD2 3.15Å; T57-F61 PolarHBondContact O-N 3.33Å; T57-F61 VanDerWaalsContact O-N 3.17Å; T57-A78 HydrophobicContact CG2-CB 3.84Å |
| 58 | S | 96.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 86.4 Ų | 86.4 | 1% | 0.007 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -68.1 | -34.9 | 174.2 | 53.2 | 0 | 0 | 0 | 0 | 112.8 | A54 A55 Q60 F61 M62 D74 | A54-S58 WeakPolarHBondContact O-CB 3.37Å; A54-S58 PolarHBondContact O-N 3.32Å; A54-S58 PolarHBondContact O-OG 3.21Å; A55-S58 WeakPolarHBondContact CA-OG 3.36Å; A55-S58 PolarHBondContact O-OG 3.23Å; A55-S58 VanDerWaalsContact O-OG 3.12Å; S58-Q60 VanDerWaalsContact C-N 3.27Å; S58-Q60 PolarHBondContact O-N 2.85Å; S58-F61 PolarHBondContact O-N 2.91Å; S58-M62 PolarHBondContact O-N 3.26Å; S58-D74 VanDerWaalsContact CB-O 3.3Å; S58-D74 WeakPolarHBondContact CB-O 3.47Å |
| 59 | S | 96.7 | Very high | 94.7 | Very high | 23 Ų | 23 | 94.2 Ų | 94.2 | 16% | 0.161 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -59.7 | -34.9 | 169.5 | -174.2 | 0 | 0 | 0 | 0 | 112.5 | A55 Q56 R63 | A55-S59 VanDerWaalsContact O-CB 3.25Å; A55-S59 WeakPolarHBondContact O-CB 3.47Å; A55-S59 PolarHBondContact O-N 3.15Å; Q56-S59 WeakPolarHBondContact O-CB 3.45Å; Q56-S59 PolarHBondContact O-N 3.02Å; S59-R63 WeakPolarHBondContact O-CD 3.44Å; S59-R63 WeakPolarHBondContact O-CG 3.28Å; S59-R63 PolarHBondContact O-N 3.48Å; S59-R63 VanDerWaalsContact O-N 3.12Å |
| 60 | Q | 96.3 | Very high | 94.8 | Very high | 88 Ų | 88 | 91.6 Ų | 91.6 | 41% | 0.411 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.7 | -48.5 | 172.2 | -65.8 | 170.6 | 34.2 | 0 | 0 | 111.5 | Q56 T57 S58 M62 R63 H64 | Q56-Q60 WeakPolarHBondContact O-CG 3.47Å; Q56-Q60 PolarHBondContact O-N 3.03Å; T57-Q60 WeakPolarHBondContact O-CB 3.44Å; T57-Q60 PolarHBondContact O-N 3.16Å; S58-Q60 VanDerWaalsContact C-N 3.27Å; S58-Q60 PolarHBondContact O-N 2.85Å; Q60-M62 VanDerWaalsContact C-N 3.33Å; Q60-M62 PolarHBondContact O-N 2.92Å; Q60-R63 PolarHBondContact O-N 3Å; Q60-R63 VanDerWaalsContact O-N 3.12Å; Q60-H64 PolarHBondContact O-CD2 3.08Å; Q60-H64 PolarHBondContact O-N 3.3Å |
| 61 | F | 96.8 | Very high | 94.8 | Very high | 59 Ų | 59 | 87.7 Ų | 87.7 | 26% | 0.259 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -57.4 | -43.8 | 176.7 | -75.7 | -63 | 0 | 0 | 0 | 112.6 | T57 S58 R63 H64 A65 D74 R77 A78 W81 | T57-F61 HydrophobicContact CG2-CD2 4.34Å; T57-F61 HydrophobicContact CG2-CE2 3.91Å; T57-F61 WeakPolarHBondContact O-CD2 3.15Å; T57-F61 PolarHBondContact O-N 3.33Å; T57-F61 VanDerWaalsContact O-N 3.17Å; S58-F61 PolarHBondContact O-N 2.91Å; F61-R63 PolarHBondContact O-N 3.48Å; F61-H64 PolarHBondContact O-N 3.21Å; F61-A65 WeakPolarHBondContact O-CB 3.44Å; F61-A65 PolarHBondContact O-N 3.11Å; F61-D74 HydrophobicContact CB-CB 4.18Å; F61-R77 HydrophobicContact CD1-CB 4.17Å; F61-R77 HydrophobicContact CD2-CB 3.64Å; F61-R77 HydrophobicContact CE1-CB 4.29Å; F61-R77 HydrophobicContact CE2-CB 3.78Å; F61-R77 HydrophobicContact CG-CB 3.87Å; F61-R77 HydrophobicContact CZ-CB 4.11Å; F61-A78 HydrophobicContact CD2-CB 4.39Å; F61-A78 HydrophobicContact CE2-CB 4.43Å; F61-W81 HydrophobicContact CE2-CB 4.45Å; F61-W81 HydrophobicContact CZ-CB 4.49Å; F61-W81 HydrophobicContact CZ-CE3 4.39Å |
| 62 | M | 97.3 | Very high | 94.9 | Very high | 23 Ų | 23 | 85.5 Ų | 85.5 | 11% | 0.113 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -56.6 | -46.7 | 173.9 | -179.2 | -160.6 | 64.9 | 0 | 0 | 112.1 | S58 Q60 A65 K66 R67 L70 | S58-M62 PolarHBondContact O-N 3.26Å; Q60-M62 VanDerWaalsContact C-N 3.33Å; Q60-M62 PolarHBondContact O-N 2.92Å; M62-A65 CarbonylContact O-C 3.55Å; M62-A65 PolarHBondContact O-N 3.27Å; M62-K66 PolarHBondContact O-N 3.43Å; M62-R67 HydrophobicContact CG-CB 4.04Å; M62-R67 WeakPolarHBondContact CG-O 3.4Å; M62-R67 PolarHBondContact O-N 3.35Å; M62-L70 HydrophobicContact CG-CB 4.49Å; M62-L70 HydrophobicContact SD-CB 3.84Å; M62-L70 PolarHBondContact SD-N 2.82Å |
| 63 | R | 96.2 | Very high | 94.9 | Very high | 174 Ų | 174 | 86.6 Ų | 86.6 | 66% | 0.657 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -66.4 | -42.1 | 179.2 | -71.1 | 169 | -170.9 | -143.8 | 0.5 | 112.2 | S59 Q60 F61 A65 K66 | S59-R63 WeakPolarHBondContact O-CD 3.44Å; S59-R63 WeakPolarHBondContact O-CG 3.28Å; S59-R63 PolarHBondContact O-N 3.48Å; S59-R63 VanDerWaalsContact O-N 3.12Å; Q60-R63 PolarHBondContact O-N 3Å; Q60-R63 VanDerWaalsContact O-N 3.12Å; F61-R63 PolarHBondContact O-N 3.48Å; R63-A65 VanDerWaalsContact C-N 3.29Å; R63-A65 PolarHBondContact O-N 2.72Å; R63-K66 WeakPolarHBondContact O-CA 3.41Å; R63-K66 PolarHBondContact O-N 2.84Å |
| 64 | H | 96.1 | Very high | 95 | Very high | 157 Ų | 157 | 83.4 Ų | 83.4 | 73% | 0.727 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.2 | -34 | 174.9 | -77.9 | -68.2 | 0 | 0 | 0 | 112.2 | Q60 F61 K66 | Q60-H64 PolarHBondContact O-CD2 3.08Å; Q60-H64 PolarHBondContact O-N 3.3Å; F61-H64 PolarHBondContact O-N 3.21Å; H64-K66 PolarHBondContact O-N 2.95Å |
| 65 | A | 95.6 | Very high | 95.1 | Very high | 48 Ų | 48 | 85.5 Ų | 85.5 | 40% | 0.397 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 5.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F61 M62 R63 R67 | F61-A65 WeakPolarHBondContact O-CB 3.44Å; F61-A65 PolarHBondContact O-N 3.11Å; M62-A65 CarbonylContact O-C 3.55Å; M62-A65 PolarHBondContact O-N 3.27Å; R63-A65 VanDerWaalsContact C-N 3.29Å; R63-A65 PolarHBondContact O-N 2.72Å; A65-R67 PolarHBondContact O-N 2.82Å; A65-R67 VanDerWaalsContact O-N 3.14Å |
| 66 | K | 95.3 | Very high | 95.1 | Very high | 196 Ų | 196 | 83.8 Ų | 83.8 | 85% | 0.852 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 21.6 | -177 | -56.2 | -178 | -178.4 | 177.8 | 0 | 114.7 | M62 R63 H64 | M62-K66 PolarHBondContact O-N 3.43Å; R63-K66 WeakPolarHBondContact O-CA 3.41Å; R63-K66 PolarHBondContact O-N 2.84Å; H64-K66 PolarHBondContact O-N 2.95Å |
| 67 | R | 95 | Very high | 95.1 | Very high | 75 Ų | 75 | 82.7 Ų | 82.7 | 28% | 0.283 | 38% | 0.378 | S | S | . | . | trans | -93.3 | 156.5 | 179 | -74.8 | -175.2 | -76.2 | 95.8 | -0.6 | 111.6 | M62 A65 K69 D74 | M62-R67 HydrophobicContact CG-CB 4.04Å; M62-R67 WeakPolarHBondContact CG-O 3.4Å; M62-R67 PolarHBondContact O-N 3.35Å; A65-R67 PolarHBondContact O-N 2.82Å; A65-R67 VanDerWaalsContact O-N 3.14Å; R67-K69 PolarHBondContact NH1-O 2.86Å; R67-K69 VanDerWaalsContact NH1-O 3.09Å; R67-D74 IonicContact CZ-OD1 2.85Å; R67-D74 IonicContact CZ-OD2 2.7Å; R67-D74 IonicContact NH1-OD1 3.59Å; R67-D74 IonicContact NH1-OD2 3.89Å; R67-D74 PolarHBondContact NH1-OD2 2.75Å; R67-D74 VanDerWaalsContact NH2-CG 3.31Å; R67-D74 IonicContact NH2-OD1 3.18Å; R67-D74 PolarHBondContact NH2-OD1 3.29Å; R67-D74 IonicContact NH2-OD2 3.41Å; R67-D74 PolarHBondContact NH2-OD2 3.49Å; R67-D74 VanDerWaalsContact NH2-OD2 3.1Å | ||
| 68 | R | 94.1 | Very high | 95.1 | Very high | 244 Ų | 244 | 81.6 Ų | 81.6 | 92% | 0.921 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -109.5 | -9.5 | 174 | -55.4 | -177.9 | 81.6 | 176.9 | 5.4 | 113.3 | ||
| 69 | K | 93.8 | Very high | 95 | Very high | 170 Ų | 170 | 82.7 Ų | 82.7 | 74% | 0.739 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -111.1 | 124.5 | 172 | -174 | 179 | -179 | -178.8 | 0 | 108.4 | R67 | R67-K69 PolarHBondContact NH1-O 2.86Å; R67-K69 VanDerWaalsContact NH1-O 3.09Å |
| 70 | L | 92.9 | Very high | 94.9 | Very high | 76 Ų | 76 | 88.9 Ų | 88.9 | 40% | 0.398 | 40% | 0.397 | S | S | . | . | trans | -73.3 | 137.8 | 174.6 | -171 | 149.9 | 0 | 0 | 0 | 108.6 | M62 D74 | M62-L70 HydrophobicContact CG-CB 4.49Å; M62-L70 HydrophobicContact SD-CB 3.84Å; M62-L70 PolarHBondContact SD-N 2.82Å; L70-D74 HydrophobicContact CG-CB 4.35Å | ||
| 71 | T | 92.4 | Very high | 94.7 | Very high | 46 Ų | 46 | 93.9 Ų | 93.9 | 28% | 0.282 | 41% | 0.412 | S | S | . | . | trans | -117.9 | 161.6 | 179.5 | 61.4 | 0 | 0 | 0 | 0 | 111.3 | E73 D74 L75 | T71-E73 PolarHBondContact O-N 2.98Å; T71-E73 VanDerWaalsContact O-N 3.15Å; T71-D74 PolarHBondContact N-OD2 3.12Å; T71-D74 WeakPolarHBondContact O-CB 3.29Å; T71-D74 PolarHBondContact O-N 3.03Å; T71-D74 PolarHBondContact OG1-OD2 2.85Å; T71-L75 PolarHBondContact O-N 2.92Å | ||
| 72 | V | 93.3 | Very high | 94.5 | Very high | 56 Ų | 56 | 93.4 Ų | 93.4 | 34% | 0.339 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -53.9 | -34.3 | 175 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | D74 L75 N76 | V72-D74 VanDerWaalsContact C-N 3.3Å; V72-D74 PolarHBondContact O-N 3.15Å; V72-L75 PolarHBondContact O-N 3.01Å; V72-N76 WeakPolarHBondContact O-CB 3.3Å; V72-N76 PolarHBondContact O-N 2.85Å |
| 73 | E | 92.9 | Very high | 94.4 | Very high | 109 Ų | 109 | 103.6 Ų | 103.6 | 51% | 0.509 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.4 | -36 | 173.9 | -54.8 | -174.4 | 156.7 | 0 | 0 | 113.7 | T71 N76 R77 | T71-E73 PolarHBondContact O-N 2.98Å; T71-E73 VanDerWaalsContact O-N 3.15Å; E73-N76 CarbonylContact O-C 3.58Å; E73-N76 PolarHBondContact O-N 3.14Å; E73-R77 WeakPolarHBondContact O-CB 3.38Å; E73-R77 WeakPolarHBondContact O-CD 3.49Å; E73-R77 WeakPolarHBondContact O-CG 3.43Å; E73-R77 PolarHBondContact O-N 3.47Å; E73-R77 IonicContact OE2-CZ 3.63Å; E73-R77 VanDerWaalsContact OE2-CZ 3.23Å; E73-R77 IonicContact OE2-NH1 3.03Å; E73-R77 PolarHBondContact OE2-NH1 3.18Å; E73-R77 IonicContact OE2-NH2 4Å; E73-R77 PolarHBondContact OE2-NH2 2.85Å |
| 74 | D | 95.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 99 Ų | 99 | 1% | 0.005 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -73.4 | -35.6 | -178.9 | -60.7 | -33.3 | 0 | 0 | 0 | 111.3 | S58 F61 R67 L70 T71 V72 R77 A78 | S58-D74 VanDerWaalsContact CB-O 3.3Å; S58-D74 WeakPolarHBondContact CB-O 3.47Å; F61-D74 HydrophobicContact CB-CB 4.18Å; R67-D74 IonicContact CZ-OD1 2.85Å; R67-D74 IonicContact CZ-OD2 2.7Å; R67-D74 IonicContact NH1-OD1 3.59Å; R67-D74 IonicContact NH1-OD2 3.89Å; R67-D74 PolarHBondContact NH1-OD2 2.75Å; R67-D74 VanDerWaalsContact NH2-CG 3.31Å; R67-D74 IonicContact NH2-OD1 3.18Å; R67-D74 PolarHBondContact NH2-OD1 3.29Å; R67-D74 IonicContact NH2-OD2 3.41Å; R67-D74 PolarHBondContact NH2-OD2 3.49Å; R67-D74 VanDerWaalsContact NH2-OD2 3.1Å; L70-D74 HydrophobicContact CG-CB 4.35Å; T71-D74 PolarHBondContact N-OD2 3.12Å; T71-D74 WeakPolarHBondContact O-CB 3.29Å; T71-D74 PolarHBondContact O-N 3.03Å; T71-D74 PolarHBondContact OG1-OD2 2.85Å; V72-D74 VanDerWaalsContact C-N 3.3Å; V72-D74 PolarHBondContact O-N 3.15Å; D74-R77 PolarHBondContact O-N 2.93Å; D74-R77 IonicContact OD1-CZ 3.23Å; D74-R77 IonicContact OD1-NH1 3.77Å; D74-R77 PolarHBondContact OD1-NH1 2.71Å; D74-A78 PolarHBondContact O-N 2.71Å |
| 75 | L | 94.9 | Very high | 94.1 | Very high | 59 Ų | 59 | 99.9 Ų | 99.9 | 31% | 0.309 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.8 | -46.5 | 170.6 | -169.8 | 64.3 | 0 | 0 | 0 | 110.8 | A54 T71 V72 R77 A78 L79 | A54-L75 HydrophobicContact CB-CD1 4.34Å; T71-L75 PolarHBondContact O-N 2.92Å; V72-L75 PolarHBondContact O-N 3.01Å; L75-R77 PolarHBondContact O-N 3.41Å; L75-A78 CarbonylContact O-C 3.57Å; L75-A78 WeakPolarHBondContact O-CA 3.28Å; L75-A78 WeakPolarHBondContact O-CB 3.43Å; L75-A78 PolarHBondContact O-N 2.85Å; L75-L79 HydrophobicContact CG-CD1 4.4Å; L75-L79 WeakPolarHBondContact O-CG 3.34Å; L75-L79 PolarHBondContact O-N 3.22Å |
| 76 | N | 95 | Very high | 93.8 | Very high | 17 Ų | 17 | 98.8 Ų | 98.8 | 9% | 0.091 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -68.7 | -17.5 | 175.5 | -81.6 | -21.1 | 0 | 0 | 0 | 113.8 | V72 E73 R80 A86 I87 | V72-N76 WeakPolarHBondContact O-CB 3.3Å; V72-N76 PolarHBondContact O-N 2.85Å; E73-N76 CarbonylContact O-C 3.58Å; E73-N76 PolarHBondContact O-N 3.14Å; N76-R80 VanDerWaalsContact O-CD 3.28Å; N76-R80 WeakPolarHBondContact O-CD 3.25Å; N76-R80 WeakPolarHBondContact O-CG 3.43Å; N76-R80 PolarHBondContact O-NH1 2.93Å; N76-A86 HydrophobicContact CB-CB 4.16Å; N76-A86 WeakPolarHBondContact OD1-CA 3.24Å; N76-I87 PolarHBondContact ND2-O 3.27Å; N76-I87 PolarHBondContact OD1-N 2.85Å |
| 77 | R | 94.7 | Very high | 93.5 | Very high | 91 Ų | 91 | 93.5 Ų | 93.5 | 34% | 0.343 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -75.2 | -43.6 | 164.7 | -75.7 | 162.2 | -173.3 | 122.5 | 13.1 | 111.1 | F61 E73 D74 L75 W81 | F61-R77 HydrophobicContact CD1-CB 4.17Å; F61-R77 HydrophobicContact CD2-CB 3.64Å; F61-R77 HydrophobicContact CE1-CB 4.29Å; F61-R77 HydrophobicContact CE2-CB 3.78Å; F61-R77 HydrophobicContact CG-CB 3.87Å; F61-R77 HydrophobicContact CZ-CB 4.11Å; E73-R77 WeakPolarHBondContact O-CB 3.38Å; E73-R77 WeakPolarHBondContact O-CD 3.49Å; E73-R77 WeakPolarHBondContact O-CG 3.43Å; E73-R77 PolarHBondContact O-N 3.47Å; E73-R77 IonicContact OE2-CZ 3.63Å; E73-R77 VanDerWaalsContact OE2-CZ 3.23Å; E73-R77 IonicContact OE2-NH1 3.03Å; E73-R77 PolarHBondContact OE2-NH1 3.18Å; E73-R77 IonicContact OE2-NH2 4Å; E73-R77 PolarHBondContact OE2-NH2 2.85Å; D74-R77 PolarHBondContact O-N 2.93Å; D74-R77 IonicContact OD1-CZ 3.23Å; D74-R77 IonicContact OD1-NH1 3.77Å; D74-R77 PolarHBondContact OD1-NH1 2.71Å; L75-R77 PolarHBondContact O-N 3.41Å; R77-W81 WeakPolarHBondContact O-CB 3.37Å; R77-W81 PolarHBondContact O-N 3.18Å |
| 78 | A | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 95 Ų | 95 | 0% | 0 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T57 F61 D74 L75 R80 W81 S82 | T57-A78 HydrophobicContact CG2-CB 3.84Å; F61-A78 HydrophobicContact CD2-CB 4.39Å; F61-A78 HydrophobicContact CE2-CB 4.43Å; D74-A78 PolarHBondContact O-N 2.71Å; L75-A78 CarbonylContact O-C 3.57Å; L75-A78 WeakPolarHBondContact O-CA 3.28Å; L75-A78 WeakPolarHBondContact O-CB 3.43Å; L75-A78 PolarHBondContact O-N 2.85Å; A78-R80 PolarHBondContact O-N 3.17Å; A78-W81 WeakPolarHBondContact O-CB 3.22Å; A78-W81 PolarHBondContact O-N 3.41Å; A78-S82 PolarHBondContact O-N 3.01Å; A78-S82 PolarHBondContact O-OG 3.5Å |
| 79 | L | 94.1 | Very high | 92.6 | Very high | 25 Ų | 25 | 87.4 Ų | 87.4 | 13% | 0.131 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -59.1 | -50.2 | 177.9 | -68 | 174.1 | 0 | 0 | 0 | 111.4 | L75 W81 S82 R83 V84 I87 | L75-L79 HydrophobicContact CG-CD1 4.4Å; L75-L79 WeakPolarHBondContact O-CG 3.34Å; L75-L79 PolarHBondContact O-N 3.22Å; L79-W81 VanDerWaalsContact C-N 3.28Å; L79-W81 PolarHBondContact O-N 3.04Å; L79-S82 CarbonylContact O-C 3.6Å; L79-S82 WeakPolarHBondContact O-CA 3.44Å; L79-S82 PolarHBondContact O-N 3.12Å; L79-S82 VanDerWaalsContact O-N 3.08Å; L79-R83 PolarHBondContact O-N 3Å; L79-R83 VanDerWaalsContact O-N 3.11Å; L79-V84 CarbonylContact C-O 3.59Å; L79-V84 VanDerWaalsContact C-O 3.3Å; L79-V84 HydrophobicContact CB-CB 4.14Å; L79-V84 HydrophobicContact CD2-CB 4.16Å; L79-V84 HydrophobicContact CD2-CG1 4.09Å; L79-V84 PolarHBondContact O-N 3.18Å; L79-I87 HydrophobicContact CD1-CD1 3.89Å; L79-I87 HydrophobicContact CD1-CG1 3.71Å |
| 80 | R | 94.6 | Very high | 92 | Very high | 152 Ų | 152 | 85.9 Ų | 85.9 | 57% | 0.574 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -60.5 | -34.9 | 175.8 | -68.5 | 173.8 | -168.4 | 134.6 | 0.7 | 113 | N76 A78 R83 V84 A86 | N76-R80 VanDerWaalsContact O-CD 3.28Å; N76-R80 WeakPolarHBondContact O-CD 3.25Å; N76-R80 WeakPolarHBondContact O-CG 3.43Å; N76-R80 PolarHBondContact O-NH1 2.93Å; A78-R80 PolarHBondContact O-N 3.17Å; R80-R83 PolarHBondContact O-N 2.92Å; R80-R83 VanDerWaalsContact O-N 3.12Å; R80-V84 PolarHBondContact N-O 3.13Å; R80-A86 HydrophobicContact CG-CB 4.35Å |
| 81 | W | 93.5 | Very high | 91.1 | Very high | 193 Ų | 193 | 85.4 Ų | 85.4 | 73% | 0.731 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.8 | -42.5 | 174.7 | -176.9 | -89.7 | 0 | 0 | 0 | 111.4 | F61 R77 A78 L79 R83 | F61-W81 HydrophobicContact CE2-CB 4.45Å; F61-W81 HydrophobicContact CZ-CB 4.49Å; F61-W81 HydrophobicContact CZ-CE3 4.39Å; R77-W81 WeakPolarHBondContact O-CB 3.37Å; R77-W81 PolarHBondContact O-N 3.18Å; A78-W81 WeakPolarHBondContact O-CB 3.22Å; A78-W81 PolarHBondContact O-N 3.41Å; L79-W81 VanDerWaalsContact C-N 3.28Å; L79-W81 PolarHBondContact O-N 3.04Å; W81-R83 PolarHBondContact O-N 2.88Å |
| 82 | S | 92.5 | Very high | 90.4 | Very high | 49 Ų | 49 | 86.7 Ų | 86.7 | 34% | 0.343 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 9.6 | 171.8 | -58.2 | 0 | 0 | 0 | 0 | 114.3 | A78 L79 V84 | A78-S82 PolarHBondContact O-N 3.01Å; A78-S82 PolarHBondContact O-OG 3.5Å; L79-S82 CarbonylContact O-C 3.6Å; L79-S82 WeakPolarHBondContact O-CA 3.44Å; L79-S82 PolarHBondContact O-N 3.12Å; L79-S82 VanDerWaalsContact O-N 3.08Å; S82-V84 PolarHBondContact O-N 2.74Å |
| 83 | R | 93.4 | Very high | 89.3 | Confident | 237 Ų | 237 | 93.4 Ų | 93.4 | 89% | 0.894 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 19.3 | -176.6 | -51 | -179.2 | -178 | 178.5 | 0.8 | 115.5 | L79 R80 W81 | L79-R83 PolarHBondContact O-N 3Å; L79-R83 VanDerWaalsContact O-N 3.11Å; R80-R83 PolarHBondContact O-N 2.92Å; R80-R83 VanDerWaalsContact O-N 3.12Å; W81-R83 PolarHBondContact O-N 2.88Å |
| 84 | V | 93.9 | Very high | 88.6 | Confident | 78 Ų | 78 | 94.4 Ų | 94.4 | 47% | 0.473 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 148 | 170.5 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | L79 R80 S82 | L79-V84 CarbonylContact C-O 3.59Å; L79-V84 VanDerWaalsContact C-O 3.3Å; L79-V84 HydrophobicContact CB-CB 4.14Å; L79-V84 HydrophobicContact CD2-CB 4.16Å; L79-V84 HydrophobicContact CD2-CG1 4.09Å; L79-V84 PolarHBondContact O-N 3.18Å; R80-V84 PolarHBondContact N-O 3.13Å; S82-V84 PolarHBondContact O-N 2.74Å |
| 85 | E | 92.2 | Very high | 87.7 | Confident | 175 Ų | 175 | 98.7 Ų | 98.7 | 82% | 0.818 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 155.1 | 175.2 | -59.6 | -164 | 154.8 | 0 | 0 | 111.8 | ||
| 86 | A | 89.6 | Confident | 87 | Confident | 25 Ų | 25 | 100.2 Ų | 100.2 | 21% | 0.207 | 54% | 0.538 | C | S | . | . | P | Polyproline II helix | trans | -87.1 | 130.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | N76 R80 C88 | N76-A86 HydrophobicContact CB-CB 4.16Å; N76-A86 WeakPolarHBondContact OD1-CA 3.24Å; R80-A86 HydrophobicContact CG-CB 4.35Å; A86-C88 PolarHBondContact O-N 3.17Å |
| 87 | I | 89.3 | Confident | 86.2 | Confident | 85 Ų | 85 | 102.3 Ų | 102.3 | 44% | 0.436 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -71.2 | 116.6 | -179.5 | -48 | 176.1 | 0 | 0 | 0 | 108.4 | N76 L79 Y90 | N76-I87 PolarHBondContact ND2-O 3.27Å; N76-I87 PolarHBondContact OD1-N 2.85Å; L79-I87 HydrophobicContact CD1-CD1 3.89Å; L79-I87 HydrophobicContact CD1-CG1 3.71Å; I87-Y90 HydrophobicContact CB-CD2 4.48Å; I87-Y90 HydrophobicContact CG2-CD2 3.55Å; I87-Y90 HydrophobicContact CG2-CE2 3.54Å |
| 88 | C | 86.6 | Confident | 85.6 | Confident | 108 Ų | 108 | 105.3 Ų | 105.3 | 73% | 0.73 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 170.7 | 177.6 | -66.6 | 0 | 0 | 0 | 0 | 111.2 | A86 Y90 | A86-C88 PolarHBondContact O-N 3.17Å; C88-Y90 VanDerWaalsContact O-CD2 3.25Å; C88-Y90 WeakPolarHBondContact O-CD2 3.42Å; C88-Y90 PolarHBondContact O-N 2.84Å |
| 89 | G | 83.6 | Confident | 85 | Confident | 84 Ų | 84 | 110.3 Ų | 110.3 | 87% | 0.866 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 83.1 | -25.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 90 | Y | 81.1 | Confident | 84.5 | Confident | 138 Ų | 138 | 112.8 Ų | 112.8 | 54% | 0.541 | 61% | 0.607 | S | S | . | * | trans | -92.9 | 131.8 | 178.7 | -59 | -88.8 | 0 | 0 | 0 | 112.1 | I87 C88 L96 | I87-Y90 HydrophobicContact CB-CD2 4.48Å; I87-Y90 HydrophobicContact CG2-CD2 3.55Å; I87-Y90 HydrophobicContact CG2-CE2 3.54Å; C88-Y90 VanDerWaalsContact O-CD2 3.25Å; C88-Y90 WeakPolarHBondContact O-CD2 3.42Å; C88-Y90 PolarHBondContact O-N 2.84Å; Y90-L96 HydrophobicContact CD1-CD1 3.75Å; Y90-L96 HydrophobicContact CE1-CD1 3.55Å | ||
| 91 | G | 75.3 | Confident | 83.8 | Confident | 66 Ų | 66 | 108.8 Ų | 108.8 | 68% | 0.68 | 60% | 0.599 | S | S | * | * | trans | 145.9 | -10.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 92 | A | 76.8 | Confident | 82.9 | Confident | 72 Ų | 72 | 109.6 Ų | 109.6 | 60% | 0.595 | 61% | 0.608 | S | S | * | * | trans | -59.3 | 160.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D94 | A92-D94 VanDerWaalsContact C-N 3.35Å; A92-D94 HydrophobicContact CB-CB 4.48Å | ||
| 93 | Q | 70.8 | Confident | 81.6 | Confident | 198 Ų | 198 | 116.6 Ų | 116.6 | 93% | 0.925 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -83.8 | -16.9 | 171.5 | -63.9 | -170.2 | 41.5 | 0 | 0 | 112.2 | ||
| 94 | D | 78.2 | Confident | 80.1 | Confident | 129 Ų | 129 | 107 Ų | 107 | 69% | 0.69 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -64.6 | 138.2 | 178.8 | -52.6 | -75.1 | 0 | 0 | 0 | 111.3 | A92 | A92-D94 VanDerWaalsContact C-N 3.35Å; A92-D94 HydrophobicContact CB-CB 4.48Å |
| 95 | A | 76.6 | Confident | 79.1 | Confident | 92 Ų | 92 | 112.2 Ų | 112.2 | 76% | 0.76 | 63% | 0.629 | S | S | * | * | trans | -72.3 | 139.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P97 | A95-P97 WeakPolarHBondContact O-CD 3.3Š| ||
| 96 | L | 79.2 | Confident | 78.5 | Confident | 90 Ų | 90 | 108.7 Ų | 108.7 | 47% | 0.471 | 62% | 0.616 | S | S | . | * | trans | -97.9 | 95.7 | 169.7 | -62 | 176.8 | 0 | 0 | 0 | 108.5 | Y90 F98 V109 | Y90-L96 HydrophobicContact CD1-CD1 3.75Å; Y90-L96 HydrophobicContact CE1-CD1 3.55Å; L96-F98 PolarHBondContact O-N 2.87Å; L96-V109 HydrophobicContact CB-CG1 4.35Å; L96-V109 HydrophobicContact CD2-CG1 4.32Å | ||
| 97 | P | 79.1 | Confident | 78.1 | Confident | 61 Ų | 61 | 114.3 Ų | 114.3 | 40% | 0.396 | 64% | 0.635 | S | S | . | * | trans | -75.7 | 118.6 | -179.7 | 30.4 | -34.6 | 0 | 0 | 0 | 110.6 | A95 R99 | A95-P97 WeakPolarHBondContact O-CD 3.3Å; P97-R99 PolarHBondContact O-N 3.1Å | ||
| 98 | F | 81.4 | Confident | 77.9 | Confident | 155 Ų | 155 | 114.9 Ų | 114.9 | 68% | 0.68 | 64% | 0.635 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -67.8 | 127.3 | 165.1 | -64.8 | -84.1 | 0 | 0 | 0 | 109.5 | L96 F108 V109 | L96-F98 PolarHBondContact O-N 2.87Å; F98-F108 WeakPolarHBondContact CA-O 3.45Å; F98-V109 HydrophobicContact CD1-CG2 4.02Å; F98-V109 HydrophobicContact CE1-CG2 3.91Å |
| 99 | R | 84 | Confident | 77.8 | Confident | 105 Ų | 105 | 112 Ų | 112 | 40% | 0.396 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.5 | 138.6 | 174.4 | -64.2 | -171.2 | 176.3 | -163.9 | 4.7 | 109.7 | P97 F107 F108 E110 | P97-R99 PolarHBondContact O-N 3.1Å; R99-F107 CarbonylContact O-C 3.59Å; R99-F107 VanDerWaalsContact O-CA 3.3Å; R99-F107 WeakPolarHBondContact O-CA 3.39Å; R99-F108 HydrophobicContact CB-CD1 4.3Å; R99-F108 HydrophobicContact CB-CE1 3.85Å; R99-F108 HydrophobicContact CB-CE2 4.41Å; R99-F108 HydrophobicContact CB-CZ 3.91Å; R99-F108 PolarHBondContact N-O 3.23Å; R99-F108 VanDerWaalsContact O-CD1 3.28Å; R99-F108 WeakPolarHBondContact O-CD1 3.31Å; R99-F108 PolarHBondContact O-N 3.34Å; R99-E110 IonicContact CZ-OE1 3.94Å; R99-E110 IonicContact CZ-OE2 3.84Å; R99-E110 VanDerWaalsContact CZ-OE2 3.3Å; R99-E110 IonicContact NE-OE1 2.98Å; R99-E110 IonicContact NE-OE2 2.68Å; R99-E110 IonicContact NH1-OE1 2.83Å; R99-E110 PolarHBondContact NH1-OE1 2.89Å; R99-E110 IonicContact NH1-OE2 2.68Å; R99-E110 IonicContact NH2-OE1 3.93Å; R99-E110 PolarHBondContact NH2-OE1 3.35Å; R99-E110 IonicContact NH2-OE2 3.74Å; R99-E110 PolarHBondContact NH2-OE2 2.95Å |
| 100 | S | 82.9 | Confident | 77.7 | Confident | 77 Ų | 77 | 110.9 Ų | 110.9 | 54% | 0.538 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.6 | 145.2 | 171.8 | 49.3 | 0 | 0 | 0 | 0 | 111.8 | L106 | S100-L106 WeakPolarHBondContact CA-O 3.14Å |
| 101 | V | 80.8 | Confident | 77.7 | Confident | 67 Ų | 67 | 111.8 Ų | 111.8 | 41% | 0.406 | 60% | 0.6 | S | S | . | * | trans | -77.9 | 148.3 | 164.3 | -175.6 | 0 | 0 | 0 | 0 | 108.6 | E103 L106 F108 | V101-E103 VanDerWaalsContact C-N 3.34Å; V101-L106 HydrophobicContact CG2-CB 4.3Å; V101-L106 PolarHBondContact N-O 2.68Å; V101-F108 HydrophobicContact CG2-CD1 4.03Å; V101-F108 HydrophobicContact CG2-CE1 3.95Å | ||
| 102 | K | 74.1 | Confident | 77.9 | Confident | 211 Ų | 211 | 116.9 Ų | 116.9 | 92% | 0.917 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -14.4 | -176.3 | -70.5 | -175.1 | 177.8 | 179.8 | 0 | 114.8 | ||
| 103 | E | 65.6 | Low | 78.3 | Confident | 195 Ų | 195 | 123.1 Ų | 123.1 | 91% | 0.911 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.4 | 18.7 | -169.6 | -62.6 | 179.9 | 152.4 | 0 | 0 | 112.5 | V101 | V101-E103 VanDerWaalsContact C-N 3.34Š|
| 104 | G | 61.8 | Low | 78.9 | Confident | 36 Ų | 36 | 119.4 Ų | 119.4 | 37% | 0.371 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -178.7 | 161.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L106 | G104-L106 PolarHBondContact O-N 2.74Š|
| 105 | E | 72.1 | Confident | 79.4 | Confident | 187 Ų | 187 | 116.8 Ų | 116.8 | 87% | 0.874 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -74.9 | 32.8 | -178.8 | -57.6 | -167.6 | 153.9 | 0 | 0 | 113.5 | F107 | E105-F107 WeakPolarHBondContact O-CD2 3.44Š|
| 106 | L | 79.5 | Confident | 80.1 | Confident | 102 Ų | 102 | 118.7 Ų | 118.7 | 53% | 0.534 | 58% | 0.584 | S | S | . | * | trans | -91.1 | 127.5 | -176.9 | -65.3 | 174.4 | 0 | 0 | 0 | 110.9 | L26 S100 V101 G104 | L26-L106 HydrophobicContact CD1-CD2 4.42Å; S100-L106 WeakPolarHBondContact CA-O 3.14Å; V101-L106 HydrophobicContact CG2-CB 4.3Å; V101-L106 PolarHBondContact N-O 2.68Å; G104-L106 PolarHBondContact O-N 2.74Å | ||
| 107 | F | 82.3 | Confident | 80.7 | Confident | 142 Ų | 142 | 120.1 Ų | 120.1 | 62% | 0.623 | 59% | 0.591 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113 | 133.2 | 175.7 | -63.6 | -92.9 | 0 | 0 | 0 | 110.5 | R99 E105 | R99-F107 CarbonylContact O-C 3.59Å; R99-F107 VanDerWaalsContact O-CA 3.3Å; R99-F107 WeakPolarHBondContact O-CA 3.39Å; E105-F107 WeakPolarHBondContact O-CD2 3.44Å |
| 108 | F | 83.9 | Confident | 81.1 | Confident | 97 Ų | 97 | 123.7 Ų | 123.7 | 43% | 0.425 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.5 | 159.5 | 177.2 | 69 | -78.7 | 0 | 0 | 0 | 111.3 | F98 R99 V101 E110 | F98-F108 WeakPolarHBondContact CA-O 3.45Å; R99-F108 HydrophobicContact CB-CD1 4.3Å; R99-F108 HydrophobicContact CB-CE1 3.85Å; R99-F108 HydrophobicContact CB-CE2 4.41Å; R99-F108 HydrophobicContact CB-CZ 3.91Å; R99-F108 PolarHBondContact N-O 3.23Å; R99-F108 VanDerWaalsContact O-CD1 3.28Å; R99-F108 WeakPolarHBondContact O-CD1 3.31Å; R99-F108 PolarHBondContact O-N 3.34Å; V101-F108 HydrophobicContact CG2-CD1 4.03Å; V101-F108 HydrophobicContact CG2-CE1 3.95Å; F108-E110 HydrophobicContact CE2-CB 4.4Å |
| 109 | V | 84.6 | Confident | 81.3 | Confident | 48 Ų | 48 | 121.6 Ų | 121.6 | 29% | 0.291 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.4 | 131.4 | 165.8 | 179.5 | 0 | 0 | 0 | 0 | 107.1 | L96 F98 D111 | L96-V109 HydrophobicContact CB-CG1 4.35Å; L96-V109 HydrophobicContact CD2-CG1 4.32Å; F98-V109 HydrophobicContact CD1-CG2 4.02Å; F98-V109 HydrophobicContact CE1-CG2 3.91Å; V109-D111 PolarHBondContact O-N 3.39Å |
| 110 | E | 81.7 | Confident | 81.3 | Confident | 61 Ų | 61 | 120.7 Ų | 120.7 | 29% | 0.285 | 61% | 0.612 | S | S | . | * | trans | -76.1 | 103.1 | 175.7 | 175.6 | -171.1 | -110.4 | 0 | 0 | 109.7 | R99 F108 R112 | R99-E110 IonicContact CZ-OE1 3.94Å; R99-E110 IonicContact CZ-OE2 3.84Å; R99-E110 VanDerWaalsContact CZ-OE2 3.3Å; R99-E110 IonicContact NE-OE1 2.98Å; R99-E110 IonicContact NE-OE2 2.68Å; R99-E110 IonicContact NH1-OE1 2.83Å; R99-E110 PolarHBondContact NH1-OE1 2.89Å; R99-E110 IonicContact NH1-OE2 2.68Å; R99-E110 IonicContact NH2-OE1 3.93Å; R99-E110 PolarHBondContact NH2-OE1 3.35Å; R99-E110 IonicContact NH2-OE2 3.74Å; R99-E110 PolarHBondContact NH2-OE2 2.95Å; F108-E110 HydrophobicContact CE2-CB 4.4Å; E110-R112 HydrophobicContact CG-CG 4.37Å; E110-R112 PolarHBondContact O-N 3.32Å; E110-R112 IonicContact OE2-CZ 2.72Å; E110-R112 IonicContact OE2-NE 3.92Å; E110-R112 PolarHBondContact OE2-NE 2.96Å; E110-R112 IonicContact OE2-NH2 3.49Å; E110-R112 PolarHBondContact OE2-NH2 3.38Å | ||
| 111 | D | 80.9 | Confident | 81.5 | Confident | 157 Ų | 157 | 123.4 Ų | 123.4 | 84% | 0.84 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 124 | 167.7 | -77 | -31.9 | 0 | 0 | 0 | 109.6 | V109 | V109-D111 PolarHBondContact O-N 3.39Š|
| 112 | R | 80.4 | Confident | 81.7 | Confident | 173 Ų | 173 | 122.7 Ų | 122.7 | 65% | 0.653 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 127.6 | 179.7 | -66.1 | -178.7 | 177.7 | 175.5 | 0.5 | 109.7 | E110 I114 | E110-R112 HydrophobicContact CG-CG 4.37Å; E110-R112 PolarHBondContact O-N 3.32Å; E110-R112 IonicContact OE2-CZ 2.72Å; E110-R112 IonicContact OE2-NE 3.92Å; E110-R112 PolarHBondContact OE2-NE 2.96Å; E110-R112 IonicContact OE2-NH2 3.49Å; E110-R112 PolarHBondContact OE2-NH2 3.38Å; R112-I114 PolarHBondContact O-N 3.18Å |
| 113 | E | 84.5 | Confident | 81.8 | Confident | 203 Ų | 203 | 118.8 Ų | 118.8 | 95% | 0.949 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 133.2 | 169.7 | -63.3 | -175.3 | 179.2 | 0 | 0 | 110.1 | ||
| 114 | I | 83.9 | Confident | 82.3 | Confident | 119 Ų | 119 | 116.4 Ų | 116.4 | 61% | 0.61 | 61% | 0.609 | S | S | * | * | trans | -116.9 | 117.7 | -178.8 | -59.7 | 176.5 | 0 | 0 | 0 | 108.3 | R112 L116 L119 | R112-I114 PolarHBondContact O-N 3.18Å; I114-L116 PolarHBondContact O-N 2.94Å; I114-L119 HydrophobicContact CG2-CD2 4.04Å | ||
| 115 | N | 88.9 | Confident | 83 | Confident | 75 Ų | 75 | 121.6 Ų | 121.6 | 40% | 0.401 | 63% | 0.627 | S | S | . | * | trans | -70.3 | 101.9 | 173.1 | -173 | -9 | 0 | 0 | 0 | 110.2 | I117 E118 L119 | N115-I117 PolarHBondContact O-N 3.17Å; N115-I117 WeakPolarHBondContact OD1-CB 3.42Å; N115-I117 PolarHBondContact OD1-N 3.33Å; N115-E118 HydrophobicContact CB-CB 4.17Å; N115-E118 HydrophobicContact CB-CG 4.24Å; N115-E118 VanDerWaalsContact ND2-CD 3.31Å; N115-E118 WeakPolarHBondContact ND2-CG 3.39Å; N115-E118 PolarHBondContact ND2-OE1 3.44Å; N115-E118 PolarHBondContact O-N 3.05Å; N115-L119 PolarHBondContact O-N 3.17Å | ||
| 116 | L | 89.7 | Confident | 83.1 | Confident | 132 Ų | 132 | 118.3 Ų | 118.3 | 69% | 0.691 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -59.6 | -27.2 | 179.9 | -61.1 | 178.9 | 0 | 0 | 0 | 113.1 | I114 A120 | I114-L116 PolarHBondContact O-N 2.94Å; L116-A120 VanDerWaalsContact O-CB 3.23Å; L116-A120 WeakPolarHBondContact O-CB 3.21Å; L116-A120 PolarHBondContact O-N 2.88Å |
| 117 | I | 91.4 | Very high | 83.1 | Confident | 120 Ų | 120 | 123.3 Ų | 123.3 | 62% | 0.615 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72.4 | -46.8 | 178.9 | -56.7 | 175 | 0 | 0 | 0 | 109.9 | N115 A120 L121 | N115-I117 PolarHBondContact O-N 3.17Å; N115-I117 WeakPolarHBondContact OD1-CB 3.42Å; N115-I117 PolarHBondContact OD1-N 3.33Å; I117-A120 PolarHBondContact O-N 2.96Å; I117-L121 HydrophobicContact CG2-CD1 4.02Å; I117-L121 WeakPolarHBondContact O-CB 3.48Å; I117-L121 VanDerWaalsContact O-CG 3.28Å; I117-L121 WeakPolarHBondContact O-CG 3.42Å; I117-L121 PolarHBondContact O-N 3.12Å |
| 118 | E | 87.8 | Confident | 82.7 | Confident | 135 Ų | 135 | 120 Ų | 120 | 63% | 0.631 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -63.7 | -42.1 | 175.5 | -73.4 | 168.5 | -141.4 | 0 | 0 | 111.5 | N115 A120 L121 A122 | N115-E118 HydrophobicContact CB-CB 4.17Å; N115-E118 HydrophobicContact CB-CG 4.24Å; N115-E118 VanDerWaalsContact ND2-CD 3.31Å; N115-E118 WeakPolarHBondContact ND2-CG 3.39Å; N115-E118 PolarHBondContact ND2-OE1 3.44Å; N115-E118 PolarHBondContact O-N 3.05Å; E118-A120 PolarHBondContact O-N 3.44Å; E118-L121 CarbonylContact O-C 3.44Å; E118-L121 PolarHBondContact O-N 3.12Å; E118-A122 PolarHBondContact O-N 3.24Å |
| 119 | L | 85.5 | Confident | 82.4 | Confident | 111 Ų | 111 | 121.7 Ų | 121.7 | 58% | 0.581 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -63 | -39.4 | 176.7 | -176 | 62.5 | 0 | 0 | 0 | 112.3 | I114 N115 L121 A122 | I114-L119 HydrophobicContact CG2-CD2 4.04Å; N115-L119 PolarHBondContact O-N 3.17Å; L119-L121 VanDerWaalsContact C-N 3.33Å; L119-A122 WeakPolarHBondContact O-CB 3.47Å; L119-A122 PolarHBondContact O-N 3.36Å |
| 120 | A | 84.2 | Confident | 82 | Confident | 86 Ų | 86 | 123.8 Ų | 123.8 | 71% | 0.711 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -72.4 | -24.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L116 I117 E118 | L116-A120 VanDerWaalsContact O-CB 3.23Å; L116-A120 WeakPolarHBondContact O-CB 3.21Å; L116-A120 PolarHBondContact O-N 2.88Å; I117-A120 PolarHBondContact O-N 2.96Å; E118-A120 PolarHBondContact O-N 3.44Å |
| 121 | L | 88.4 | Confident | 82.2 | Confident | 134 Ų | 134 | 129.3 Ų | 129.3 | 70% | 0.702 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -89.9 | -8 | 175.1 | -67.5 | 172.9 | 0 | 0 | 0 | 113.2 | I117 E118 L119 T123 | I117-L121 HydrophobicContact CG2-CD1 4.02Å; I117-L121 WeakPolarHBondContact O-CB 3.48Å; I117-L121 VanDerWaalsContact O-CG 3.28Å; I117-L121 WeakPolarHBondContact O-CG 3.42Å; I117-L121 PolarHBondContact O-N 3.12Å; E118-L121 CarbonylContact O-C 3.44Å; E118-L121 PolarHBondContact O-N 3.12Å; L119-L121 VanDerWaalsContact C-N 3.33Å; L121-T123 PolarHBondContact O-N 3.37Å |
| 122 | A | 83.9 | Confident | 82.4 | Confident | 53 Ų | 53 | 128.7 Ų | 128.7 | 44% | 0.438 | 72% | 0.718 | S | S | . | * | trans | -66.3 | 117.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E118 L119 N124 | E118-A122 PolarHBondContact O-N 3.24Å; L119-A122 WeakPolarHBondContact O-CB 3.47Å; L119-A122 PolarHBondContact O-N 3.36Å; A122-N124 PolarHBondContact O-N 3.38Å; A122-N124 VanDerWaalsContact O-N 3.15Å | ||
| 123 | T | 76.2 | Confident | 82.8 | Confident | 129 Ų | 129 | 127.2 Ų | 127.2 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | trans | -73.6 | -1.1 | -179 | 50.9 | 0 | 0 | 0 | 0 | 114.5 | L121 I125 | L121-T123 PolarHBondContact O-N 3.37Å; T123-I125 VanDerWaalsContact C-N 3.26Å; T123-I125 PolarHBondContact O-N 3.18Å | ||
| 124 | N | 76.9 | Confident | 82.9 | Confident | 145 Ų | 145 | 123.6 Ų | 123.6 | 78% | 0.775 | 71% | 0.712 | S | S | * | * | trans | -80 | 64 | -176.9 | -69.9 | -41.6 | 0 | 0 | 0 | 112.3 | A122 P126 | A122-N124 PolarHBondContact O-N 3.38Å; A122-N124 VanDerWaalsContact O-N 3.15Å; N124-P126 WeakPolarHBondContact O-CD 3.5Å | ||
| 125 | I | 76.2 | Confident | 82.8 | Confident | 145 Ų | 145 | 128.2 Ų | 128.2 | 74% | 0.744 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 127 | 173.8 | -57.5 | 174.6 | 0 | 0 | 0 | 109.1 | T123 K127 | T123-I125 VanDerWaalsContact C-N 3.26Å; T123-I125 PolarHBondContact O-N 3.18Å; I125-K127 PolarHBondContact O-N 2.97Å |
| 126 | P | 74.5 | Confident | 82.4 | Confident | 117 Ų | 117 | 130.6 Ų | 130.6 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 121.9 | 176 | -26.4 | 35.3 | 0 | 0 | 0 | 111.5 | N124 G128 | N124-P126 WeakPolarHBondContact O-CD 3.5Å; P126-G128 PolarHBondContact O-N 3.47Å |
| 127 | K | 78.9 | Confident | 81.7 | Confident | 207 Ų | 207 | 130.9 Ų | 130.9 | 90% | 0.9 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 121.3 | 175.4 | -64.9 | 179.7 | -177.5 | 176.8 | 0 | 108.7 | I125 | I125-K127 PolarHBondContact O-N 2.97Š|
| 128 | G | 73.3 | Confident | 80.6 | Confident | 73 Ų | 73 | 130 Ų | 130 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 146.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | P126 | P126-G128 PolarHBondContact O-N 3.47Š|
| 129 | C | 78.4 | Confident | 79.2 | Confident | 132 Ų | 132 | 128 Ų | 128 | 89% | 0.892 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 143.7 | 172.7 | -59.8 | 0 | 0 | 0 | 0 | 110.5 | ||
| 130 | A | 76.5 | Confident | 78.1 | Confident | 92 Ų | 92 | 129.7 Ų | 129.7 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 153.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 131 | E | 84.8 | Confident | 76.3 | Confident | 178 Ų | 178 | 134.4 Ų | 134.4 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 148.4 | 177.5 | -63.1 | -168.3 | 155.5 | 0 | 0 | 112.1 | I133 | E131-I133 PolarHBondContact O-N 3.37Š|
| 132 | T | 86.1 | Confident | 74.3 | Confident | 144 Ų | 144 | 133.8 Ų | 133.8 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | trans | -81.4 | 91.3 | -172.8 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 133 | I | 88.5 | Confident | 72.5 | Confident | 142 Ų | 142 | 134.4 Ų | 134.4 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | trans | -86.1 | 129.5 | 178.7 | -59.6 | 171.7 | 0 | 0 | 0 | 110.8 | E131 R135 | E131-I133 PolarHBondContact O-N 3.37Å; I133-R135 HydrophobicContact CG2-CG 4.48Å | ||
| 134 | V | 86.9 | Confident | 71 | Confident | 126 Ų | 126 | 137.1 Ų | 137.1 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | trans | -84.7 | 115.2 | 172 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | V136 | V134-V136 HydrophobicContact CG1-CG2 4.32Š| ||
| 135 | R | 81.8 | Confident | 69.2 | Low | 217 Ų | 217 | 133.6 Ų | 133.6 | 82% | 0.819 | 77% | 0.767 | S | S | * | * | trans | -99.6 | 126.9 | 170 | -62.8 | -176.6 | 70.8 | 163.9 | 3.9 | 109.6 | I133 | I133-R135 HydrophobicContact CG2-CG 4.48Š| ||
| 136 | V | 81.4 | Confident | 67.6 | Low | 125 Ų | 125 | 130.9 Ų | 130.9 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | trans | -102.5 | 113.3 | 178.7 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | V134 | V134-V136 HydrophobicContact CG1-CG2 4.32Š| ||
| 137 | N | 73.6 | Confident | 66.3 | Low | 137 Ų | 137 | 132.1 Ų | 132.1 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | -110.1 | 130.2 | 172.7 | -64.9 | -0.4 | 0 | 0 | 0 | 108.7 | A139 | N137-A139 PolarHBondContact O-N 3.43Å; N137-A139 VanDerWaalsContact O-N 3.16Å | ||
| 138 | V | 69.4 | Low | 64.4 | Low | 103 Ų | 103 | 129.2 Ų | 129.2 | 62% | 0.624 | 75% | 0.749 | S | S | * | * | trans | -84 | 91.8 | 178.3 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | Y140 | V138-Y140 HydrophobicContact CB-CE2 4.19Å; V138-Y140 HydrophobicContact CG1-CD1 4.27Å; V138-Y140 HydrophobicContact CG1-CD2 3.9Å; V138-Y140 HydrophobicContact CG1-CE1 3.94Å; V138-Y140 HydrophobicContact CG1-CE2 3.55Å; V138-Y140 HydrophobicContact CG1-CG 4.25Å; V138-Y140 PolarHBondContact O-N 3.16Å | ||
| 139 | A | 58.4 | Low | 62.9 | Low | 92 Ų | 92 | 131.3 Ų | 131.3 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | trans | -81.2 | 96.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | N137 L141 | N137-A139 PolarHBondContact O-N 3.43Å; N137-A139 VanDerWaalsContact O-N 3.16Å; A139-L141 PolarHBondContact O-N 3.36Å | ||
| 140 | Y | 63 | Low | 61.1 | Low | 147 Ų | 147 | 129.4 Ų | 129.4 | 58% | 0.576 | 73% | 0.728 | S | S | * | * | trans | -66.8 | 112.3 | 172.8 | -65.7 | -87.1 | 0 | 0 | 0 | 109.9 | V138 D142 Y237 | V138-Y140 HydrophobicContact CB-CE2 4.19Å; V138-Y140 HydrophobicContact CG1-CD1 4.27Å; V138-Y140 HydrophobicContact CG1-CD2 3.9Å; V138-Y140 HydrophobicContact CG1-CE1 3.94Å; V138-Y140 HydrophobicContact CG1-CE2 3.55Å; V138-Y140 HydrophobicContact CG1-CG 4.25Å; V138-Y140 PolarHBondContact O-N 3.16Å; Y140-D142 PolarHBondContact O-N 3.35Å; Y140-Y237 HydrophobicContact CE1-CD1 4.34Å; Y140-Y237 AromaticContact CE1-CE1 3.64Å; Y140-Y237 HydrophobicContact CE1-CE1 3.64Å; Y140-Y237 PolarHBondContact OH-OH 2.96Å | ||
| 141 | L | 45.4 | Very low | 59.7 | Low | 184 Ų | 184 | 127.7 Ų | 127.7 | 96% | 0.963 | 72% | 0.719 | S | S | * | * | trans | -78.1 | 57.1 | 163.6 | -78.2 | 167.1 | 0 | 0 | 0 | 110 | A139 | A139-L141 PolarHBondContact O-N 3.36Š| ||
| 142 | D | 47.3 | Very low | 57.9 | Low | 121 Ų | 121 | 124.6 Ų | 124.6 | 65% | 0.647 | 71% | 0.712 | S | S | * | * | trans | -80.3 | 145.3 | 164.2 | -160.2 | 1.5 | 0 | 0 | 0 | 109.6 | Y140 K144 | Y140-D142 PolarHBondContact O-N 3.35Å; D142-K144 VanDerWaalsContact C-N 3.3Å; D142-K144 PolarHBondContact O-N 3.14Å | ||
| 143 | G | 45.8 | Very low | 56.5 | Low | 67 Ų | 67 | 119 Ų | 119 | 69% | 0.691 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -76.1 | 73.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 144 | K | 43.1 | Very low | 54.8 | Low | 186 Ų | 186 | 116 Ų | 116 | 81% | 0.809 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 85 | 134.4 | -161 | -53.8 | 161.9 | -177.3 | 177.2 | 0 | 110.9 | D142 N146 | D142-K144 VanDerWaalsContact C-N 3.3Å; D142-K144 PolarHBondContact O-N 3.14Å; K144-N146 PolarHBondContact O-N 3.02Å |
| 145 | G | 39.3 | Very low | 53.2 | Low | 70 Ų | 70 | 114.5 Ų | 114.5 | 72% | 0.722 | 66% | 0.659 | S | S | * | * | trans | -70.1 | 91.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V147 | G145-V147 PolarHBondContact O-N 3.26Å; G145-V147 VanDerWaalsContact O-N 3.1Å | ||
| 146 | N | 42.9 | Very low | 52 | Low | 89 Ų | 89 | 104.6 Ų | 104.6 | 48% | 0.476 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.9 | 47.1 | -178.2 | -149.3 | 23.5 | 0 | 0 | 0 | 111.6 | K144 E148 Q150 | K144-N146 PolarHBondContact O-N 3.02Å; N146-E148 VanDerWaalsContact C-N 3.33Å; N146-Q150 VanDerWaalsContact ND2-CD 3.28Å; N146-Q150 PolarHBondContact ND2-NE2 3.28Å; N146-Q150 PolarHBondContact OD1-NE2 3.4Å |
| 147 | V | 47.1 | Very low | 51 | Low | 143 Ų | 143 | 100 Ų | 100 | 87% | 0.867 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 3.3 | 168.6 | -162.3 | 0 | 0 | 0 | 0 | 110.6 | G145 | G145-V147 PolarHBondContact O-N 3.26Å; G145-V147 VanDerWaalsContact O-N 3.1Å |
| 148 | E | 40.1 | Very low | 50.4 | Low | 145 Ų | 145 | 101 Ų | 101 | 68% | 0.678 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -51.7 | 132 | 149.9 | -78.9 | -76 | 90.9 | 0 | 0 | 108.9 | N146 Q150 | N146-E148 VanDerWaalsContact C-N 3.33Å; E148-Q150 VanDerWaalsContact C-N 3.32Å; E148-Q150 PolarHBondContact O-N 3.09Å |
| 149 | P | 41.2 | Very low | 50.5 | Low | 117 Ų | 117 | 101.6 Ų | 101.6 | 76% | 0.76 | 60% | 0.6 | S | S | * | * | trans | -69.3 | 93.2 | 171.9 | 29.3 | -32.7 | 0 | 0 | 0 | 108.3 | G151 | P149-G151 PolarHBondContact O-N 3.39Š| ||
| 150 | Q | 41.3 | Very low | 51.5 | Low | 93 Ų | 93 | 98.2 Ų | 98.2 | 44% | 0.435 | 57% | 0.569 | S | S | . | * | trans | -53.3 | 114.4 | 176.1 | -71.5 | -158.2 | -44.4 | 0 | 0 | 109.4 | N146 E148 | N146-Q150 VanDerWaalsContact ND2-CD 3.28Å; N146-Q150 PolarHBondContact ND2-NE2 3.28Å; N146-Q150 PolarHBondContact OD1-NE2 3.4Å; E148-Q150 VanDerWaalsContact C-N 3.32Å; E148-Q150 PolarHBondContact O-N 3.09Å | ||
| 151 | G | 47.1 | Very low | 52.6 | Low | 56 Ų | 56 | 94.5 Ų | 94.5 | 58% | 0.577 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -55.1 | 153.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P149 V153 | P149-G151 PolarHBondContact O-N 3.39Å; G151-V153 PolarHBondContact O-N 3.05Å |
| 152 | T | 46.4 | Very low | 54.7 | Low | 112 Ų | 112 | 91 Ų | 91 | 69% | 0.687 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -6.3 | 108.7 | -176 | 41 | 0 | 0 | 0 | 0 | 115.2 | P154 T155 | T152-P154 VanDerWaalsContact C-N 3.3Å; T152-P154 WeakPolarHBondContact O-CD 3.5Å; T152-T155 PolarHBondContact O-N 3.29Å |
| 153 | V | 55.9 | Low | 56.8 | Low | 26 Ų | 26 | 90.6 Ų | 90.6 | 16% | 0.158 | 54% | 0.544 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.2 | -33.8 | -167.9 | 174.2 | 0 | 0 | 0 | 0 | 116.9 | G151 T155 A156 V157 Y202 Y205 | G151-V153 PolarHBondContact O-N 3.05Å; V153-T155 PolarHBondContact O-N 3.47Å; V153-A156 PolarHBondContact O-N 2.84Å; V153-V157 HydrophobicContact CG1-CG2 4.39Å; V153-V157 PolarHBondContact O-N 3.14Å; V153-Y202 HydrophobicContact CG1-CD1 3.49Å; V153-Y202 VanDerWaalsContact CG1-CD1 3.49Å; V153-Y202 HydrophobicContact CG1-CE1 3.85Å; V153-Y205 HydrophobicContact CB-CD1 3.93Å; V153-Y205 HydrophobicContact CB-CD2 3.86Å; V153-Y205 HydrophobicContact CB-CE1 4.09Å; V153-Y205 HydrophobicContact CB-CE2 4Å; V153-Y205 HydrophobicContact CB-CG 3.81Å; V153-Y205 HydrophobicContact CG1-CD1 3.94Å; V153-Y205 HydrophobicContact CG1-CD2 4.5Å; V153-Y205 HydrophobicContact CG1-CE1 4.44Å; V153-Y205 HydrophobicContact CG1-CG 3.97Å; V153-Y205 HydrophobicContact CG2-CD1 4.3Å; V153-Y205 HydrophobicContact CG2-CD2 3.39Å; V153-Y205 HydrophobicContact CG2-CE2 3.83Å; V153-Y205 HydrophobicContact CG2-CG 3.65Å |
| 154 | P | 53.6 | Low | 58.9 | Low | 79 Ų | 79 | 89.8 Ų | 89.8 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -46.4 | -33.1 | 175.5 | -34.7 | 38.5 | 0 | 0 | 0 | 116.7 | T152 | T152-P154 VanDerWaalsContact C-N 3.3Å; T152-P154 WeakPolarHBondContact O-CD 3.5Å |
| 155 | T | 53.1 | Low | 61.1 | Low | 96 Ų | 96 | 82.8 Ų | 82.8 | 59% | 0.589 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -73.3 | -36.4 | 179.2 | -45.6 | 0 | 0 | 0 | 0 | 112.2 | T152 V153 V157 Q158 | T152-T155 PolarHBondContact O-N 3.29Å; V153-T155 PolarHBondContact O-N 3.47Å; T155-V157 VanDerWaalsContact C-N 3.32Å; T155-V157 PolarHBondContact O-N 3.16Å; T155-Q158 PolarHBondContact O-N 2.68Å |
| 156 | A | 56.5 | Low | 63.7 | Low | 9 Ų | 9 | 84.3 Ų | 84.3 | 7% | 0.074 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -68 | -32.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V153 Q158 T159 Y202 | V153-A156 PolarHBondContact O-N 2.84Å; A156-Q158 PolarHBondContact O-N 3.11Å; A156-Q158 VanDerWaalsContact O-N 3.08Å; A156-T159 WeakPolarHBondContact O-CB 3.5Å; A156-T159 PolarHBondContact O-N 3.49Å; A156-T159 PolarHBondContact O-OG1 3.24Å; A156-Y202 VanDerWaalsContact C-OH 3.23Å; A156-Y202 HydrophobicContact CB-CE1 4.06Å; A156-Y202 PolarHBondContact O-OH 2.84Å; A156-Y202 VanDerWaalsContact O-OH 3.04Å |
| 157 | V | 59.9 | Low | 66.1 | Low | 27 Ų | 27 | 82.1 Ų | 82.1 | 16% | 0.164 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -53.1 | -33.8 | 179 | -179.7 | 0 | 0 | 0 | 0 | 112 | V153 T155 T159 L160 L165 Y202 | V153-V157 HydrophobicContact CG1-CG2 4.39Å; V153-V157 PolarHBondContact O-N 3.14Å; T155-V157 VanDerWaalsContact C-N 3.32Å; T155-V157 PolarHBondContact O-N 3.16Å; V157-T159 PolarHBondContact O-N 3.49Å; V157-L160 HydrophobicContact CG1-CD1 4.41Å; V157-L160 WeakPolarHBondContact O-CB 3.4Å; V157-L160 PolarHBondContact O-N 3.19Å; V157-L160 VanDerWaalsContact O-N 3.17Å; V157-L165 HydrophobicContact CG1-CD1 3.44Å; V157-L165 VanDerWaalsContact CG1-CD1 3.44Å; V157-Y202 HydrophobicContact CB-CE1 4.18Å; V157-Y202 HydrophobicContact CG2-CD1 3.58Å; V157-Y202 HydrophobicContact CG2-CE1 3.51Å |
| 158 | Q | 61.2 | Low | 68.3 | Low | 160 Ų | 160 | 76.8 Ų | 76.8 | 75% | 0.748 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -7.7 | -179.2 | -56.2 | -177.8 | 13.6 | 0 | 0 | 113.8 | T155 A156 | T155-Q158 PolarHBondContact O-N 2.68Å; A156-Q158 PolarHBondContact O-N 3.11Å; A156-Q158 VanDerWaalsContact O-N 3.08Å |
| 159 | T | 70.9 | Confident | 70.8 | Confident | 114 Ų | 114 | 73.2 Ų | 73.2 | 70% | 0.699 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -6.5 | 174.2 | 68.4 | 0 | 0 | 0 | 0 | 113.5 | A156 V157 | A156-T159 WeakPolarHBondContact O-CB 3.5Å; A156-T159 PolarHBondContact O-N 3.49Å; A156-T159 PolarHBondContact O-OG1 3.24Å; V157-T159 PolarHBondContact O-N 3.49Å |
| 160 | L | 80.4 | Confident | 73.4 | Confident | 22 Ų | 22 | 73.7 Ų | 73.7 | 12% | 0.115 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -77.2 | 144.1 | 173.1 | -64.7 | 169.5 | 0 | 0 | 0 | 110.8 | V157 L164 L199 Y202 | V157-L160 HydrophobicContact CG1-CD1 4.41Å; V157-L160 WeakPolarHBondContact O-CB 3.4Å; V157-L160 PolarHBondContact O-N 3.19Å; V157-L160 VanDerWaalsContact O-N 3.17Å; L160-L164 HydrophobicContact CD2-CD1 4.37Å; L160-L199 HydrophobicContact CD1-CD2 3.58Å; L160-L199 HydrophobicContact CD2-CD2 3.88Å; L160-L199 HydrophobicContact CG-CD2 4.37Å; L160-Y202 HydrophobicContact CD1-CD2 4.19Å; L160-Y202 HydrophobicContact CD1-CE1 4.48Å; L160-Y202 HydrophobicContact CD1-CE2 3.84Å; L160-Y202 HydrophobicContact CD2-CE2 3.99Å; L160-Y202 HydrophobicContact CG-CE2 4.14Å |
| 161 | S | 87 | Confident | 76 | Confident | 68 Ų | 68 | 70 Ų | 70 | 48% | 0.476 | 39% | 0.39 | S | S | . | . | trans | -62.4 | 142.4 | 166.1 | 58.1 | 0 | 0 | 0 | 0 | 111.1 | D163 L164 L165 | S161-D163 PolarHBondContact O-N 3.08Å; S161-L164 WeakPolarHBondContact O-CB 3.4Å; S161-L164 PolarHBondContact O-N 3.06Å; S161-L164 WeakPolarHBondContact OG-CG 3.42Å; S161-L165 PolarHBondContact O-N 3.47Å; S161-L165 VanDerWaalsContact O-N 3.11Å | ||
| 162 | D | 88.6 | Confident | 78.2 | Confident | 112 Ų | 112 | 68.3 Ų | 68.3 | 60% | 0.599 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -41.5 | -41.5 | 179.7 | -69.7 | -4.4 | 0 | 0 | 0 | 115 | L165 K166 | D162-L165 PolarHBondContact O-N 3.36Å; D162-K166 WeakPolarHBondContact O-CB 3.28Å; D162-K166 WeakPolarHBondContact O-CD 3.31Å; D162-K166 WeakPolarHBondContact O-CG 3.29Å; D162-K166 PolarHBondContact O-N 3.08Å |
| 163 | D | 90.6 | Very high | 80.5 | Confident | 112 Ų | 112 | 70.8 Ų | 70.8 | 60% | 0.599 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -74.4 | -34.1 | -176.1 | -61.7 | -27.5 | 0 | 0 | 0 | 113 | S161 L165 K166 Y167 | S161-D163 PolarHBondContact O-N 3.08Å; D163-L165 VanDerWaalsContact C-N 3.34Å; D163-K166 IonicContact OD1-NZ 3.46Å; D163-K166 PolarHBondContact OD1-NZ 3.22Å; D163-Y167 VanDerWaalsContact O-CB 3.31Å; D163-Y167 WeakPolarHBondContact O-CB 3.48Å; D163-Y167 PolarHBondContact O-N 3.26Å |
| 164 | L | 90.2 | Very high | 82.4 | Confident | 49 Ų | 49 | 70.6 Ų | 70.6 | 26% | 0.257 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.3 | -37.3 | 169.5 | -71.3 | 177.1 | 0 | 0 | 0 | 110.9 | L160 S161 Y168 A198 L199 | L160-L164 HydrophobicContact CD2-CD1 4.37Å; S161-L164 WeakPolarHBondContact O-CB 3.4Å; S161-L164 PolarHBondContact O-N 3.06Å; S161-L164 WeakPolarHBondContact OG-CG 3.42Å; L164-Y168 VanDerWaalsContact O-CB 3.3Å; L164-Y168 WeakPolarHBondContact O-CB 3.44Å; L164-Y168 PolarHBondContact O-N 3.09Å; L164-A198 HydrophobicContact CD1-CB 4.44Å; L164-L199 HydrophobicContact CB-CD1 4.42Å; L164-L199 HydrophobicContact CB-CD2 4.2Å; L164-L199 HydrophobicContact CD2-CD1 4.1Å; L164-L199 HydrophobicContact CD2-CG 4.4Å |
| 165 | L | 90.5 | Very high | 84.4 | Confident | 40 Ų | 40 | 66.8 Ų | 66.8 | 21% | 0.209 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.8 | -44.9 | 176.3 | 180 | 54.8 | 0 | 0 | 0 | 112 | V157 S161 D162 D163 Y168 Q169 | V157-L165 HydrophobicContact CG1-CD1 3.44Å; V157-L165 VanDerWaalsContact CG1-CD1 3.44Å; S161-L165 PolarHBondContact O-N 3.47Å; S161-L165 VanDerWaalsContact O-N 3.11Å; D162-L165 PolarHBondContact O-N 3.36Å; D163-L165 VanDerWaalsContact C-N 3.34Å; L165-Y168 HydrophobicContact CD1-CD1 4.42Å; L165-Y168 PolarHBondContact O-N 2.93Å; L165-Q169 HydrophobicContact CD1-CG 4.31Å; L165-Q169 WeakPolarHBondContact O-CG 3.47Å; L165-Q169 PolarHBondContact O-N 3.31Å |
| 166 | K | 92.4 | Very high | 86.3 | Confident | 101 Ų | 101 | 64.8 Ų | 64.8 | 44% | 0.439 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.1 | -48.7 | 173.3 | -70.3 | 161.7 | -153.7 | 157.9 | 0 | 111 | D162 D163 Q169 Q170 | D162-K166 WeakPolarHBondContact O-CB 3.28Å; D162-K166 WeakPolarHBondContact O-CD 3.31Å; D162-K166 WeakPolarHBondContact O-CG 3.29Å; D162-K166 PolarHBondContact O-N 3.08Å; D163-K166 IonicContact OD1-NZ 3.46Å; D163-K166 PolarHBondContact OD1-NZ 3.22Å; K166-Q169 PolarHBondContact O-N 3.42Å; K166-Q170 WeakPolarHBondContact O-CB 3.21Å; K166-Q170 VanDerWaalsContact O-CG 3.32Å; K166-Q170 WeakPolarHBondContact O-CG 3.4Å; K166-Q170 PolarHBondContact O-N 3.45Å |
| 167 | Y | 94.6 | Very high | 88 | Confident | 43 Ų | 43 | 65.4 Ų | 65.4 | 17% | 0.169 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.5 | -48.6 | 177.1 | 171.4 | -87.9 | 0 | 0 | 0 | 111.6 | D163 Q169 Q170 I171 D189 N193 I196 L199 F203 | D163-Y167 VanDerWaalsContact O-CB 3.31Å; D163-Y167 WeakPolarHBondContact O-CB 3.48Å; D163-Y167 PolarHBondContact O-N 3.26Å; Y167-Q169 PolarHBondContact O-N 3.17Å; Y167-Q170 PolarHBondContact O-N 3.31Å; Y167-I171 HydrophobicContact CD1-CG1 4.21Å; Y167-I171 HydrophobicContact CD2-CG1 4.11Å; Y167-I171 HydrophobicContact CE1-CG1 3.82Å; Y167-I171 HydrophobicContact CE2-CD1 4Å; Y167-I171 HydrophobicContact CE2-CG1 3.72Å; Y167-I171 HydrophobicContact CG-CG1 4.35Å; Y167-I171 WeakPolarHBondContact O-CB 3.47Å; Y167-I171 WeakPolarHBondContact O-CG1 3.5Å; Y167-I171 PolarHBondContact O-N 2.72Å; Y167-D189 VanDerWaalsContact CE2-OD2 3.3Å; Y167-D189 WeakPolarHBondContact CE2-OD2 3.45Å; Y167-D189 PolarHBondContact OH-OD2 3.4Å; Y167-N193 PolarHBondContact OH-ND2 2.87Å; Y167-I196 HydrophobicContact CE1-CG2 3.58Å; Y167-I196 WeakPolarHBondContact OH-CG2 3.5Å; Y167-L199 HydrophobicContact CD1-CD1 3.44Å; Y167-L199 VanDerWaalsContact CD1-CD1 3.44Å; Y167-L199 HydrophobicContact CE1-CD1 3.84Å; Y167-F203 HydrophobicContact CE1-CZ 4.28Å |
| 168 | Y | 93.4 | Very high | 89.6 | Confident | 31 Ų | 31 | 71 Ų | 71 | 12% | 0.122 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.3 | -45.7 | 176.7 | 168.9 | -100.1 | 0 | 0 | 0 | 112.2 | L164 L165 T172 F203 V206 | L164-Y168 VanDerWaalsContact O-CB 3.3Å; L164-Y168 WeakPolarHBondContact O-CB 3.44Å; L164-Y168 PolarHBondContact O-N 3.09Å; L165-Y168 HydrophobicContact CD1-CD1 4.42Å; L165-Y168 PolarHBondContact O-N 2.93Å; Y168-T172 HydrophobicContact CD2-CG2 4.14Å; Y168-T172 HydrophobicContact CE2-CG2 3.74Å; Y168-T172 WeakPolarHBondContact O-CB 3.23Å; Y168-T172 WeakPolarHBondContact O-CG2 3.4Å; Y168-T172 PolarHBondContact O-N 3.16Å; Y168-T172 PolarHBondContact O-OG1 3.12Å; Y168-F203 HydrophobicContact CD2-CD1 4.01Å; Y168-F203 AromaticContact CD2-CE1 3.61Å; Y168-F203 HydrophobicContact CD2-CE1 3.61Å; Y168-F203 AromaticContact CD2-CZ 3.91Å; Y168-F203 HydrophobicContact CD2-CZ 3.91Å; Y168-F203 AromaticContact CE2-CD1 3.97Å; Y168-F203 HydrophobicContact CE2-CD1 3.97Å; Y168-F203 HydrophobicContact CE2-CE1 4.01Å; Y168-V206 WeakPolarHBondContact OH-CG2 3.27Å |
| 169 | Q | 93 | Very high | 91.2 | Very high | 70 Ų | 70 | 66.6 Ų | 66.6 | 33% | 0.327 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 176.3 | -71.4 | -177.9 | 26.5 | 0 | 0 | 113.1 | L165 K166 Y167 T172 R173 | L165-Q169 HydrophobicContact CD1-CG 4.31Å; L165-Q169 WeakPolarHBondContact O-CG 3.47Å; L165-Q169 PolarHBondContact O-N 3.31Å; K166-Q169 PolarHBondContact O-N 3.42Å; Y167-Q169 PolarHBondContact O-N 3.17Å; Q169-T172 WeakPolarHBondContact CA-OG1 3.21Å; Q169-T172 PolarHBondContact O-OG1 3.01Å; Q169-R173 WeakPolarHBondContact O-CB 3.33Å; Q169-R173 WeakPolarHBondContact O-CD 3.3Å; Q169-R173 WeakPolarHBondContact O-CG 3.42Å; Q169-R173 PolarHBondContact O-N 3.02Å; Q169-R173 VanDerWaalsContact O-N 3.13Å |
| 170 | Q | 94.6 | Very high | 92.3 | Very high | 128 Ų | 128 | 65 Ų | 65 | 60% | 0.598 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -68.8 | -45.7 | 178 | -75 | 172.9 | -13 | 0 | 0 | 111.8 | K166 Y167 R173 A174 | K166-Q170 WeakPolarHBondContact O-CB 3.21Å; K166-Q170 VanDerWaalsContact O-CG 3.32Å; K166-Q170 WeakPolarHBondContact O-CG 3.4Å; K166-Q170 PolarHBondContact O-N 3.45Å; Y167-Q170 PolarHBondContact O-N 3.31Å; Q170-R173 PolarHBondContact O-N 3.39Å; Q170-A174 VanDerWaalsContact O-CB 3.26Å; Q170-A174 WeakPolarHBondContact O-CB 3.15Å; Q170-A174 PolarHBondContact O-N 3.11Å |
| 171 | I | 95.7 | Very high | 92.9 | Very high | 15 Ų | 15 | 71 Ų | 71 | 8% | 0.077 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.1 | -43.9 | 179.4 | -68 | -66.8 | 0 | 0 | 0 | 111.8 | Y167 A174 I175 A186 L190 F203 | Y167-I171 HydrophobicContact CD1-CG1 4.21Å; Y167-I171 HydrophobicContact CD2-CG1 4.11Å; Y167-I171 HydrophobicContact CE1-CG1 3.82Å; Y167-I171 HydrophobicContact CE2-CD1 4Å; Y167-I171 HydrophobicContact CE2-CG1 3.72Å; Y167-I171 HydrophobicContact CG-CG1 4.35Å; Y167-I171 WeakPolarHBondContact O-CB 3.47Å; Y167-I171 WeakPolarHBondContact O-CG1 3.5Å; Y167-I171 PolarHBondContact O-N 2.72Å; I171-A174 PolarHBondContact O-N 3.24Å; I171-I175 HydrophobicContact CG2-CD1 3.72Å; I171-I175 WeakPolarHBondContact O-CG1 3.34Å; I171-I175 PolarHBondContact O-N 2.95Å; I171-A186 HydrophobicContact CD1-CB 3.77Å; I171-A186 HydrophobicContact CG2-CB 4.46Å; I171-L190 HydrophobicContact CG2-CD1 3.83Å; I171-L190 HydrophobicContact CG2-CD2 3.93Å; I171-L190 HydrophobicContact CG2-CG 3.8Å; I171-F203 HydrophobicContact CB-CE1 4.45Å; I171-F203 HydrophobicContact CG2-CE1 3.88Å; I171-F203 HydrophobicContact CG2-CZ 4.1Å |
| 172 | T | 93.8 | Very high | 93.3 | Very high | 20 Ų | 20 | 72.4 Ų | 72.4 | 12% | 0.123 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 176.9 | 46.9 | 0 | 0 | 0 | 0 | 111.9 | Y168 Q169 A174 I175 L176 F203 V206 | Y168-T172 HydrophobicContact CD2-CG2 4.14Å; Y168-T172 HydrophobicContact CE2-CG2 3.74Å; Y168-T172 WeakPolarHBondContact O-CB 3.23Å; Y168-T172 WeakPolarHBondContact O-CG2 3.4Å; Y168-T172 PolarHBondContact O-N 3.16Å; Y168-T172 PolarHBondContact O-OG1 3.12Å; Q169-T172 WeakPolarHBondContact CA-OG1 3.21Å; Q169-T172 PolarHBondContact O-OG1 3.01Å; T172-A174 PolarHBondContact O-N 3.26Å; T172-I175 PolarHBondContact O-N 3.27Å; T172-L176 WeakPolarHBondContact O-CB 3.32Å; T172-L176 WeakPolarHBondContact O-CG 3.36Å; T172-L176 PolarHBondContact O-N 3.26Å; T172-L176 VanDerWaalsContact O-N 3.08Å; T172-F203 HydrophobicContact CG2-CD1 4.29Å; T172-F203 HydrophobicContact CG2-CE1 4.1Å; T172-V206 HydrophobicContact CG2-CG2 4.43Å |
| 173 | R | 94.6 | Very high | 93.7 | Very high | 164 Ų | 164 | 68.2 Ų | 68.2 | 62% | 0.619 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.5 | -37.2 | 173.3 | -72.2 | 173.8 | -168.8 | 143.8 | 11.6 | 113 | Q169 Q170 G177 | Q169-R173 WeakPolarHBondContact O-CB 3.33Å; Q169-R173 WeakPolarHBondContact O-CD 3.3Å; Q169-R173 WeakPolarHBondContact O-CG 3.42Å; Q169-R173 PolarHBondContact O-N 3.02Å; Q169-R173 VanDerWaalsContact O-N 3.13Å; Q170-R173 PolarHBondContact O-N 3.39Å; R173-G177 VanDerWaalsContact O-CA 3.3Å; R173-G177 WeakPolarHBondContact O-CA 3.49Å; R173-G177 PolarHBondContact O-N 3.01Å |
| 174 | A | 96.2 | Very high | 93.9 | Very high | 22 Ų | 22 | 69.5 Ų | 69.5 | 18% | 0.182 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.9 | -32.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | Q170 I171 T172 L182 M183 A186 | Q170-A174 VanDerWaalsContact O-CB 3.26Å; Q170-A174 WeakPolarHBondContact O-CB 3.15Å; Q170-A174 PolarHBondContact O-N 3.11Å; I171-A174 PolarHBondContact O-N 3.24Å; T172-A174 PolarHBondContact O-N 3.26Å; A174-L182 HydrophobicContact CB-CB 4.35Å; A174-M183 WeakPolarHBondContact O-CA 3.35Å; A174-M183 WeakPolarHBondContact O-CB 3.43Å; A174-M183 PolarHBondContact O-N 3.02Å; A174-A186 HydrophobicContact CB-CB 3.73Å |
| 175 | I | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -82.1 | -39 | -179.6 | -65.4 | 169.4 | 0 | 0 | 0 | 111.8 | I171 T172 A186 L187 L190 R222 M226 | I171-I175 HydrophobicContact CG2-CD1 3.72Å; I171-I175 WeakPolarHBondContact O-CG1 3.34Å; I171-I175 PolarHBondContact O-N 2.95Å; T172-I175 PolarHBondContact O-N 3.27Å; I175-A186 HydrophobicContact CD1-CB 4.14Å; I175-A186 HydrophobicContact CG1-CB 3.69Å; I175-L187 HydrophobicContact CD1-CD2 3.88Å; I175-L187 HydrophobicContact CD1-CG 4.3Å; I175-L187 HydrophobicContact CG1-CD2 4.21Å; I175-L187 HydrophobicContact CG1-CG 4.2Å; I175-L187 HydrophobicContact CG2-CD2 4.31Å; I175-L190 HydrophobicContact CD1-CD1 3.43Å; I175-L190 VanDerWaalsContact CD1-CD1 3.43Å; I175-L190 HydrophobicContact CD1-CG 4.41Å; I175-R222 HydrophobicContact CG2-CB 4.35Å; I175-R222 PolarHBondContact O-NH1 3.46Å; I175-M226 HydrophobicContact CB-CE 4.11Å; I175-M226 HydrophobicContact CD1-CE 4.01Å; I175-M226 HydrophobicContact CD1-CG 4.22Å; I175-M226 HydrophobicContact CG2-CB 4.46Å; I175-M226 HydrophobicContact CG2-CE 3.74Å |
| 176 | L | 93.2 | Very high | 94.5 | Very high | 54 Ų | 54 | 71.7 Ų | 71.7 | 28% | 0.283 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -94.1 | 0.2 | -178.4 | -53.9 | 177.5 | 0 | 0 | 0 | 113.4 | T172 V206 Q219 R222 L223 | T172-L176 WeakPolarHBondContact O-CB 3.32Å; T172-L176 WeakPolarHBondContact O-CG 3.36Å; T172-L176 PolarHBondContact O-N 3.26Å; T172-L176 VanDerWaalsContact O-N 3.08Å; L176-V206 HydrophobicContact CD1-CG1 4.26Å; L176-Q219 PolarHBondContact O-NE2 3.4Å; L176-Q219 PolarHBondContact O-OE1 3.32Å; L176-R222 HydrophobicContact CD2-CB 4.41Å; L176-L223 HydrophobicContact CD2-CD2 3.97Å; L176-L223 HydrophobicContact CD2-CG 4.21Å |
| 177 | G | 92.7 | Very high | 94.7 | Very high | 21 Ų | 21 | 67.8 Ų | 67.8 | 22% | 0.216 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -96.8 | 164.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R173 D179 R222 | R173-G177 VanDerWaalsContact O-CA 3.3Å; R173-G177 WeakPolarHBondContact O-CA 3.49Å; R173-G177 PolarHBondContact O-N 3.01Å; G177-D179 PolarHBondContact O-N 3.48Å; G177-R222 PolarHBondContact O-NH1 3.04Å |
| 178 | D | 92.5 | Very high | 94.9 | Very high | 145 Ų | 145 | 69.8 Ų | 69.8 | 78% | 0.775 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -65.3 | -33.9 | -162.1 | -44.5 | -61.2 | 0 | 0 | 0 | 114.1 | P180 R222 | D178-P180 WeakPolarHBondContact O-CD 3.48Å; D178-R222 PolarHBondContact O-NH2 3.29Å |
| 179 | D | 94.8 | Very high | 95 | Very high | 67 Ų | 67 | 71 Ų | 71 | 36% | 0.358 | 36% | 0.359 | S | S | . | . | trans | -68.1 | 113 | -173.3 | -176.9 | -21.6 | 0 | 0 | 0 | 113.4 | G177 H181 L182 M183 | G177-D179 PolarHBondContact O-N 3.48Å; D179-H181 VanDerWaalsContact C-N 3.32Å; D179-H181 PolarHBondContact O-N 2.86Å; D179-H181 WeakPolarHBondContact OD1-CA 3.23Å; D179-H181 VanDerWaalsContact OD1-CB 3.3Å; D179-H181 WeakPolarHBondContact OD1-CB 3.43Å; D179-H181 IonicContact OD1-CD2 2.71Å; D179-H181 PolarHBondContact OD1-N 3.02Å; D179-L182 HydrophobicContact CB-CB 4.1Å; D179-L182 HydrophobicContact CB-CD1 4.05Å; D179-L182 HydrophobicContact CB-CG 4.22Å; D179-L182 PolarHBondContact O-N 2.82Å; D179-L182 PolarHBondContact OD1-N 3.16Å; D179-L182 VanDerWaalsContact OD1-N 3.13Å; D179-L182 WeakPolarHBondContact OD2-CD1 3.24Å; D179-L182 WeakPolarHBondContact OD2-CG 3.34Å; D179-M183 WeakPolarHBondContact O-CB 3.34Å; D179-M183 PolarHBondContact O-N 3.31Å | ||
| 180 | P | 93.2 | Very high | 95.2 | Very high | 82 Ų | 82 | 67.7 Ų | 67.7 | 53% | 0.532 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -72.2 | -22 | -178.6 | 31 | -36 | 0 | 0 | 0 | 113.5 | D178 K184 | D178-P180 WeakPolarHBondContact O-CD 3.48Å; P180-K184 VanDerWaalsContact O-CB 3.22Å; P180-K184 WeakPolarHBondContact O-CB 3.49Å; P180-K184 PolarHBondContact O-N 2.75Å |
| 181 | H | 94.8 | Very high | 95.2 | Very high | 146 Ų | 146 | 64.6 Ų | 64.6 | 68% | 0.676 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -74.4 | -44.6 | 175.3 | -64.9 | -85.9 | 0 | 0 | 0 | 110.8 | D179 K184 M185 | D179-H181 VanDerWaalsContact C-N 3.32Å; D179-H181 PolarHBondContact O-N 2.86Å; D179-H181 WeakPolarHBondContact OD1-CA 3.23Å; D179-H181 VanDerWaalsContact OD1-CB 3.3Å; D179-H181 WeakPolarHBondContact OD1-CB 3.43Å; D179-H181 IonicContact OD1-CD2 2.71Å; D179-H181 PolarHBondContact OD1-N 3.02Å; H181-K184 PolarHBondContact O-N 3.43Å; H181-M185 WeakPolarHBondContact O-CG 3.37Å; H181-M185 PolarHBondContact O-N 2.87Å |
| 182 | L | 95 | Very high | 95.2 | Very high | 99 Ų | 99 | 67.4 Ų | 67.4 | 52% | 0.518 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 174.5 | -72.1 | 176.9 | 0 | 0 | 0 | 111.5 | A174 D179 K184 M185 A186 | A174-L182 HydrophobicContact CB-CB 4.35Å; D179-L182 HydrophobicContact CB-CB 4.1Å; D179-L182 HydrophobicContact CB-CD1 4.05Å; D179-L182 HydrophobicContact CB-CG 4.22Å; D179-L182 PolarHBondContact O-N 2.82Å; D179-L182 PolarHBondContact OD1-N 3.16Å; D179-L182 VanDerWaalsContact OD1-N 3.13Å; D179-L182 WeakPolarHBondContact OD2-CD1 3.24Å; D179-L182 WeakPolarHBondContact OD2-CG 3.34Å; L182-K184 PolarHBondContact O-N 2.68Å; L182-M185 PolarHBondContact O-N 3.14Å; L182-A186 WeakPolarHBondContact O-CB 3.43Å; L182-A186 PolarHBondContact O-N 3.4Å |
| 183 | M | 95.8 | Very high | 95.3 | Very high | 23 Ų | 23 | 68.1 Ų | 68.1 | 11% | 0.113 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -53.2 | -51.8 | 171.7 | 175.8 | -163.1 | 169.4 | 0 | 0 | 111.4 | A174 D179 M185 A186 L187 R222 H225 | A174-M183 WeakPolarHBondContact O-CA 3.35Å; A174-M183 WeakPolarHBondContact O-CB 3.43Å; A174-M183 PolarHBondContact O-N 3.02Å; D179-M183 WeakPolarHBondContact O-CB 3.34Å; D179-M183 PolarHBondContact O-N 3.31Å; M183-M185 VanDerWaalsContact C-N 3.35Å; M183-M185 PolarHBondContact O-N 2.99Å; M183-A186 PolarHBondContact O-N 2.91Å; M183-L187 HydrophobicContact CE-CD1 3.75Å; M183-L187 HydrophobicContact CG-CD1 3.89Å; M183-L187 WeakPolarHBondContact O-CB 3.47Å; M183-L187 VanDerWaalsContact O-CG 3.26Å; M183-L187 WeakPolarHBondContact O-CG 3.39Å; M183-L187 PolarHBondContact O-N 3.31Å; M183-R222 HydrophobicContact CE-CB 4.24Å; M183-R222 HydrophobicContact CE-CG 3.68Å; M183-R222 HydrophobicContact SD-CG 3.92Å; M183-H225 HydrophobicContact CE-CB 4.27Å |
| 184 | K | 96 | Very high | 95.2 | Very high | 139 Ų | 139 | 63.7 Ų | 63.7 | 60% | 0.604 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.9 | -39.8 | -179.5 | -175.8 | 173.8 | -178.1 | 174.6 | 0 | 112.7 | P180 H181 L182 L188 | P180-K184 VanDerWaalsContact O-CB 3.22Å; P180-K184 WeakPolarHBondContact O-CB 3.49Å; P180-K184 PolarHBondContact O-N 2.75Å; H181-K184 PolarHBondContact O-N 3.43Å; L182-K184 PolarHBondContact O-N 2.68Å; K184-L188 HydrophobicContact CG-CD1 4.32Å; K184-L188 VanDerWaalsContact O-CG 3.3Å; K184-L188 WeakPolarHBondContact O-CG 3.5Å; K184-L188 PolarHBondContact O-N 3.07Å; K184-L188 VanDerWaalsContact O-N 3.16Å |
| 185 | M | 96.5 | Very high | 94.9 | Very high | 130 Ų | 130 | 70.6 Ų | 70.6 | 64% | 0.64 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66.7 | -44.5 | 176.3 | -71.8 | -61.9 | -66.7 | 0 | 0 | 112 | H181 L182 M183 L187 L188 D189 | H181-M185 WeakPolarHBondContact O-CG 3.37Å; H181-M185 PolarHBondContact O-N 2.87Å; L182-M185 PolarHBondContact O-N 3.14Å; M183-M185 VanDerWaalsContact C-N 3.35Å; M183-M185 PolarHBondContact O-N 2.99Å; M185-L187 PolarHBondContact O-N 3.03Å; M185-L188 PolarHBondContact O-N 2.9Å; M185-D189 PolarHBondContact O-N 3.2Å |
| 186 | A | 97.1 | Very high | 94.6 | Very high | 5 Ų | 5 | 70.7 Ų | 70.7 | 4% | 0.041 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I171 A174 I175 L182 M183 D189 L190 | I171-A186 HydrophobicContact CD1-CB 3.77Å; I171-A186 HydrophobicContact CG2-CB 4.46Å; A174-A186 HydrophobicContact CB-CB 3.73Å; I175-A186 HydrophobicContact CD1-CB 4.14Å; I175-A186 HydrophobicContact CG1-CB 3.69Å; L182-A186 WeakPolarHBondContact O-CB 3.43Å; L182-A186 PolarHBondContact O-N 3.4Å; M183-A186 PolarHBondContact O-N 2.91Å; A186-D189 PolarHBondContact O-N 3.25Å; A186-L190 WeakPolarHBondContact O-CG 3.48Å; A186-L190 PolarHBondContact O-N 3.2Å |
| 187 | L | 96.8 | Very high | 94.4 | Very high | 19 Ų | 19 | 70.8 Ų | 70.8 | 10% | 0.099 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.7 | -34.7 | 174.8 | -72.2 | 171.2 | 0 | 0 | 0 | 113.1 | I175 M183 M185 Q191 H225 M226 S229 | I175-L187 HydrophobicContact CD1-CD2 3.88Å; I175-L187 HydrophobicContact CD1-CG 4.3Å; I175-L187 HydrophobicContact CG1-CD2 4.21Å; I175-L187 HydrophobicContact CG1-CG 4.2Å; I175-L187 HydrophobicContact CG2-CD2 4.31Å; M183-L187 HydrophobicContact CE-CD1 3.75Å; M183-L187 HydrophobicContact CG-CD1 3.89Å; M183-L187 WeakPolarHBondContact O-CB 3.47Å; M183-L187 VanDerWaalsContact O-CG 3.26Å; M183-L187 WeakPolarHBondContact O-CG 3.39Å; M183-L187 PolarHBondContact O-N 3.31Å; M185-L187 PolarHBondContact O-N 3.03Å; L187-Q191 WeakPolarHBondContact O-CB 3.39Å; L187-Q191 PolarHBondContact O-N 3Å; L187-H225 HydrophobicContact CD1-CB 3.78Å; L187-H225 HydrophobicContact CD2-CB 4.17Å; L187-M226 HydrophobicContact CD2-CB 4.34Å; L187-S229 WeakPolarHBondContact O-CB 3.43Å; L187-S229 PolarHBondContact O-OG 3.24Å |
| 188 | L | 96.9 | Very high | 94.1 | Very high | 85 Ų | 85 | 72.4 Ų | 72.4 | 45% | 0.445 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -73.9 | -35.1 | 175.9 | -73.1 | 169.4 | 0 | 0 | 0 | 112.3 | K184 M185 Q191 S192 | K184-L188 HydrophobicContact CG-CD1 4.32Å; K184-L188 VanDerWaalsContact O-CG 3.3Å; K184-L188 WeakPolarHBondContact O-CG 3.5Å; K184-L188 PolarHBondContact O-N 3.07Å; K184-L188 VanDerWaalsContact O-N 3.16Å; M185-L188 PolarHBondContact O-N 2.9Å; L188-Q191 PolarHBondContact O-N 3.24Å; L188-S192 PolarHBondContact O-N 3.46Å; L188-S192 PolarHBondContact O-OG 2.96Å |
| 189 | D | 96.6 | Very high | 94 | Very high | 57 Ų | 57 | 65.5 Ų | 65.5 | 31% | 0.305 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.3 | -48.3 | 171.6 | -166.1 | 77.9 | 0 | 0 | 0 | 110.7 | Y167 M185 A186 Q191 S192 N193 | Y167-D189 VanDerWaalsContact CE2-OD2 3.3Å; Y167-D189 WeakPolarHBondContact CE2-OD2 3.45Å; Y167-D189 PolarHBondContact OH-OD2 3.4Å; M185-D189 PolarHBondContact O-N 3.2Å; A186-D189 PolarHBondContact O-N 3.25Å; D189-Q191 PolarHBondContact O-N 3.48Å; D189-Q191 VanDerWaalsContact O-N 3.09Å; D189-S192 PolarHBondContact O-N 2.83Å; D189-N193 WeakPolarHBondContact O-CB 3.5Å; D189-N193 PolarHBondContact O-N 2.68Å; D189-N193 WeakPolarHBondContact OD2-CB 3.47Å; D189-N193 PolarHBondContact OD2-ND2 3.33Å |
| 190 | L | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -54.9 | -31.2 | 174.3 | -78.5 | -175.5 | 0 | 0 | 0 | 113.8 | I171 I175 A186 I196 F203 M226 L230 N233 | I171-L190 HydrophobicContact CG2-CD1 3.83Å; I171-L190 HydrophobicContact CG2-CD2 3.93Å; I171-L190 HydrophobicContact CG2-CG 3.8Å; I175-L190 HydrophobicContact CD1-CD1 3.43Å; I175-L190 VanDerWaalsContact CD1-CD1 3.43Å; I175-L190 HydrophobicContact CD1-CG 4.41Å; A186-L190 WeakPolarHBondContact O-CG 3.48Å; A186-L190 PolarHBondContact O-N 3.2Å; L190-I196 HydrophobicContact CD2-CD1 3.7Å; L190-I196 WeakPolarHBondContact O-CD1 3.34Å; L190-F203 HydrophobicContact CD2-CD2 4.31Å; L190-F203 HydrophobicContact CD2-CE1 4.21Å; L190-F203 HydrophobicContact CD2-CE2 3.73Å; L190-F203 HydrophobicContact CD2-CZ 3.69Å; L190-M226 HydrophobicContact CD1-CG 3.82Å; L190-L230 HydrophobicContact CD2-CD2 4.3Å; L190-N233 PolarHBondContact O-ND2 3.32Å |
| 191 | Q | 96.3 | Very high | 93.6 | Very high | 63 Ų | 63 | 60.6 Ų | 60.6 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -77.4 | -25 | 177.6 | -176.5 | 170.7 | 21.3 | 0 | 0 | 113.7 | L187 L188 D189 Q232 N233 | L187-Q191 WeakPolarHBondContact O-CB 3.39Å; L187-Q191 PolarHBondContact O-N 3Å; L188-Q191 PolarHBondContact O-N 3.24Å; D189-Q191 PolarHBondContact O-N 3.48Å; D189-Q191 VanDerWaalsContact O-N 3.09Å; Q191-Q232 HydrophobicContact CG-CB 4.19Å; Q191-N233 WeakPolarHBondContact O-CA 3.39Å; Q191-N233 WeakPolarHBondContact O-CB 3.31Å |
| 192 | S | 95.4 | Very high | 93.3 | Very high | 74 Ų | 74 | 54.2 Ų | 54.2 | 52% | 0.517 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -120.4 | -17.9 | -168.4 | 60.4 | 0 | 0 | 0 | 0 | 114.9 | L188 D189 Y235 | L188-S192 PolarHBondContact O-N 3.46Å; L188-S192 PolarHBondContact O-OG 2.96Å; D189-S192 PolarHBondContact O-N 2.83Å; S192-Y235 WeakPolarHBondContact O-CE2 3.29Å |
| 193 | N | 94.7 | Very high | 93.2 | Very high | 35 Ų | 35 | 49.5 Ų | 49.5 | 19% | 0.187 | 27% | 0.273 | C | S | . | . | trans | -76.3 | 124.3 | -176.4 | -171.7 | -25 | 0 | 0 | 0 | 111.2 | Y167 D189 K195 I196 N233 | Y167-N193 PolarHBondContact OH-ND2 2.87Å; D189-N193 WeakPolarHBondContact O-CB 3.5Å; D189-N193 PolarHBondContact O-N 2.68Å; D189-N193 WeakPolarHBondContact OD2-CB 3.47Å; D189-N193 PolarHBondContact OD2-ND2 3.33Å; N193-K195 PolarHBondContact OD1-N 3.18Å; N193-I196 HydrophobicContact CB-CG2 4.02Å; N193-N233 PolarHBondContact O-ND2 3.07Å | ||
| 194 | S | 93.1 | Very high | 93 | Very high | 71 Ų | 71 | 48.7 Ų | 48.7 | 50% | 0.497 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -88.1 | -3.9 | -175.6 | 57.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 195 | K | 89.4 | Confident | 92.7 | Very high | 167 Ų | 167 | 47.3 Ų | 47.3 | 73% | 0.726 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -101.2 | -4.1 | -174.9 | -64.3 | -176 | 178.6 | -179.7 | 0 | 114.3 | N193 A197 | N193-K195 PolarHBondContact OD1-N 3.18Å; K195-A197 VanDerWaalsContact C-N 3.3Å; K195-A197 PolarHBondContact O-N 3.16Å |
| 196 | I | 90.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -84.3 | 5.4 | -171.6 | 70.4 | -177.5 | 0 | 0 | 0 | 114.6 | Y167 L190 N193 A198 L199 L200 L230 L236 | Y167-I196 HydrophobicContact CE1-CG2 3.58Å; Y167-I196 WeakPolarHBondContact OH-CG2 3.5Å; L190-I196 HydrophobicContact CD2-CD1 3.7Å; L190-I196 WeakPolarHBondContact O-CD1 3.34Å; N193-I196 HydrophobicContact CB-CG2 4.02Å; I196-A198 VanDerWaalsContact C-N 3.32Å; I196-A198 PolarHBondContact O-N 2.97Å; I196-L199 WeakPolarHBondContact O-CA 3.25Å; I196-L199 WeakPolarHBondContact O-CB 3.23Å; I196-L199 PolarHBondContact O-N 3.02Å; I196-L200 PolarHBondContact O-N 3.17Å; I196-L230 HydrophobicContact CD1-CD2 4.42Å; I196-L236 HydrophobicContact CD1-CD1 4.18Å; I196-L236 HydrophobicContact CG1-CD1 4.23Å; I196-L236 HydrophobicContact CG1-CD2 4.01Å; I196-L236 HydrophobicContact CG1-CG 4.45Å |
| 197 | A | 88.1 | Confident | 92.3 | Very high | 56 Ų | 56 | 42.4 Ų | 42.4 | 46% | 0.463 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -56.8 | -41.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K195 L199 L200 L236 | K195-A197 VanDerWaalsContact C-N 3.3Å; K195-A197 PolarHBondContact O-N 3.16Å; A197-L199 PolarHBondContact O-N 3.44Å; A197-L200 WeakPolarHBondContact O-CB 3.46Å; A197-L200 PolarHBondContact O-N 3Å; A197-L236 HydrophobicContact CB-CD2 4.04Å |
| 198 | A | 86.8 | Confident | 92 | Very high | 56 Ų | 56 | 44 Ų | 44 | 46% | 0.463 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -66.9 | -15.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L164 I196 Y202 | L164-A198 HydrophobicContact CD1-CB 4.44Å; I196-A198 VanDerWaalsContact C-N 3.32Å; I196-A198 PolarHBondContact O-N 2.97Å; A198-Y202 WeakPolarHBondContact O-CE2 3.41Å |
| 199 | L | 89.9 | Confident | 91.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -97.8 | -12.3 | 178.3 | -66.9 | 176.7 | 0 | 0 | 0 | 113.6 | L160 L164 Y167 I196 A197 P201 Y202 F203 | L160-L199 HydrophobicContact CD1-CD2 3.58Å; L160-L199 HydrophobicContact CD2-CD2 3.88Å; L160-L199 HydrophobicContact CG-CD2 4.37Å; L164-L199 HydrophobicContact CB-CD1 4.42Å; L164-L199 HydrophobicContact CB-CD2 4.2Å; L164-L199 HydrophobicContact CD2-CD1 4.1Å; L164-L199 HydrophobicContact CD2-CG 4.4Å; Y167-L199 HydrophobicContact CD1-CD1 3.44Å; Y167-L199 VanDerWaalsContact CD1-CD1 3.44Å; Y167-L199 HydrophobicContact CE1-CD1 3.84Å; I196-L199 WeakPolarHBondContact O-CA 3.25Å; I196-L199 WeakPolarHBondContact O-CB 3.23Å; I196-L199 PolarHBondContact O-N 3.02Å; A197-L199 PolarHBondContact O-N 3.44Å; L199-P201 VanDerWaalsContact C-CD 3.4Å; L199-Y202 HydrophobicContact CD2-CD2 4.36Å; L199-Y202 PolarHBondContact O-N 3.49Å; L199-Y202 VanDerWaalsContact O-N 3.09Å; L199-F203 HydrophobicContact CB-CD2 4.01Å; L199-F203 HydrophobicContact CB-CE2 3.54Å; L199-F203 HydrophobicContact CB-CZ 4.36Å; L199-F203 HydrophobicContact CD1-CE2 4.33Å; L199-F203 VanDerWaalsContact O-CD2 3.3Å; L199-F203 WeakPolarHBondContact O-CD2 3.33Å; L199-F203 PolarHBondContact O-N 3.35Å |
| 200 | L | 90.5 | Very high | 91.2 | Very high | 7 Ų | 7 | 38.6 Ų | 38.6 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -50.9 | -44.3 | -179.9 | 177.4 | 61.4 | 0 | 0 | 0 | 113.8 | I196 A197 Y202 F203 V204 L236 L238 Y241 | I196-L200 PolarHBondContact O-N 3.17Å; A197-L200 WeakPolarHBondContact O-CB 3.46Å; A197-L200 PolarHBondContact O-N 3Å; L200-Y202 PolarHBondContact O-N 2.91Å; L200-F203 PolarHBondContact O-N 3.23Å; L200-V204 HydrophobicContact CD1-CG2 3.74Å; L200-V204 HydrophobicContact CG-CG2 4.21Å; L200-V204 WeakPolarHBondContact O-CB 3.35Å; L200-V204 VanDerWaalsContact O-CG2 3.23Å; L200-V204 WeakPolarHBondContact O-CG2 3.19Å; L200-V204 PolarHBondContact O-N 3.09Å; L200-L236 HydrophobicContact CD1-CD1 4.37Å; L200-L238 HydrophobicContact CD1-CD2 3.94Å; L200-L238 HydrophobicContact CD2-CD2 4.04Å; L200-Y241 HydrophobicContact CD2-CD2 3.88Å; L200-Y241 HydrophobicContact CD2-CE2 4.26Å; L200-Y241 HydrophobicContact CG-CD2 4.21Å |
| 201 | P | 89.1 | Confident | 90.9 | Very high | 39 Ų | 39 | 45.3 Ų | 45.3 | 25% | 0.253 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.8 | -34.3 | -179.4 | -21.8 | 33.5 | 0 | 0 | 0 | 112.9 | L199 Y205 Y241 | L199-P201 VanDerWaalsContact C-CD 3.4Å; P201-Y205 WeakPolarHBondContact O-CB 3.34Å; P201-Y205 PolarHBondContact O-N 3.18Å; P201-Y241 HydrophobicContact CB-CE1 4.44Å |
| 202 | Y | 89.5 | Confident | 90.6 | Very high | 11 Ų | 11 | 46.6 Ų | 46.6 | 4% | 0.043 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -77.1 | -40.3 | -177.8 | -53 | -84.3 | 0 | 0 | 0 | 111.7 | V153 A156 V157 L160 A198 L199 L200 Y205 V206 | V153-Y202 HydrophobicContact CG1-CD1 3.49Å; V153-Y202 VanDerWaalsContact CG1-CD1 3.49Å; V153-Y202 HydrophobicContact CG1-CE1 3.85Å; A156-Y202 VanDerWaalsContact C-OH 3.23Å; A156-Y202 HydrophobicContact CB-CE1 4.06Å; A156-Y202 PolarHBondContact O-OH 2.84Å; A156-Y202 VanDerWaalsContact O-OH 3.04Å; V157-Y202 HydrophobicContact CB-CE1 4.18Å; V157-Y202 HydrophobicContact CG2-CD1 3.58Å; V157-Y202 HydrophobicContact CG2-CE1 3.51Å; L160-Y202 HydrophobicContact CD1-CD2 4.19Å; L160-Y202 HydrophobicContact CD1-CE1 4.48Å; L160-Y202 HydrophobicContact CD1-CE2 3.84Å; L160-Y202 HydrophobicContact CD2-CE2 3.99Å; L160-Y202 HydrophobicContact CG-CE2 4.14Å; A198-Y202 WeakPolarHBondContact O-CE2 3.41Å; L199-Y202 HydrophobicContact CD2-CD2 4.36Å; L199-Y202 PolarHBondContact O-N 3.49Å; L199-Y202 VanDerWaalsContact O-N 3.09Å; L200-Y202 PolarHBondContact O-N 2.91Å; Y202-Y205 WeakPolarHBondContact O-CB 3.41Å; Y202-Y205 PolarHBondContact O-N 2.82Å; Y202-V206 WeakPolarHBondContact O-CG2 3.38Å; Y202-V206 PolarHBondContact O-N 3.29Å |
| 203 | F | 92.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 171.2 | -64.2 | -59.3 | 0 | 0 | 0 | 111.6 | Y167 Y168 I171 T172 L190 L199 L200 Y205 V206 I207 M226 L230 | Y167-F203 HydrophobicContact CE1-CZ 4.28Å; Y168-F203 HydrophobicContact CD2-CD1 4.01Å; Y168-F203 AromaticContact CD2-CE1 3.61Å; Y168-F203 HydrophobicContact CD2-CE1 3.61Å; Y168-F203 AromaticContact CD2-CZ 3.91Å; Y168-F203 HydrophobicContact CD2-CZ 3.91Å; Y168-F203 AromaticContact CE2-CD1 3.97Å; Y168-F203 HydrophobicContact CE2-CD1 3.97Å; Y168-F203 HydrophobicContact CE2-CE1 4.01Å; I171-F203 HydrophobicContact CB-CE1 4.45Å; I171-F203 HydrophobicContact CG2-CE1 3.88Å; I171-F203 HydrophobicContact CG2-CZ 4.1Å; T172-F203 HydrophobicContact CG2-CD1 4.29Å; T172-F203 HydrophobicContact CG2-CE1 4.1Å; L190-F203 HydrophobicContact CD2-CD2 4.31Å; L190-F203 HydrophobicContact CD2-CE1 4.21Å; L190-F203 HydrophobicContact CD2-CE2 3.73Å; L190-F203 HydrophobicContact CD2-CZ 3.69Å; L199-F203 HydrophobicContact CB-CD2 4.01Å; L199-F203 HydrophobicContact CB-CE2 3.54Å; L199-F203 HydrophobicContact CB-CZ 4.36Å; L199-F203 HydrophobicContact CD1-CE2 4.33Å; L199-F203 VanDerWaalsContact O-CD2 3.3Å; L199-F203 WeakPolarHBondContact O-CD2 3.33Å; L199-F203 PolarHBondContact O-N 3.35Å; L200-F203 PolarHBondContact O-N 3.23Å; F203-Y205 VanDerWaalsContact C-N 3.3Å; F203-Y205 PolarHBondContact O-N 3.35Å; F203-V206 PolarHBondContact O-N 3.37Å; F203-I207 WeakPolarHBondContact O-CB 3.37Å; F203-I207 WeakPolarHBondContact O-CD1 3.47Å; F203-I207 WeakPolarHBondContact O-CG1 3.39Å; F203-I207 PolarHBondContact O-N 3.38Å; F203-M226 HydrophobicContact CB-SD 4.46Å; F203-M226 HydrophobicContact CD1-SD 4.18Å; F203-L230 HydrophobicContact CB-CD1 3.86Å; F203-L230 HydrophobicContact CD2-CD2 4.35Å |
| 204 | V | 91.6 | Very high | 90.1 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.7 | -34.7 | 174.2 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | L200 S208 Y241 S244 L245 | L200-V204 HydrophobicContact CD1-CG2 3.74Å; L200-V204 HydrophobicContact CG-CG2 4.21Å; L200-V204 WeakPolarHBondContact O-CB 3.35Å; L200-V204 VanDerWaalsContact O-CG2 3.23Å; L200-V204 WeakPolarHBondContact O-CG2 3.19Å; L200-V204 PolarHBondContact O-N 3.09Å; V204-S208 WeakPolarHBondContact O-CB 3.44Å; V204-S208 PolarHBondContact O-N 2.76Å; V204-S208 PolarHBondContact O-OG 2.98Å; V204-Y241 HydrophobicContact CB-CD1 4.38Å; V204-Y241 HydrophobicContact CG1-CD1 3.99Å; V204-Y241 HydrophobicContact CG1-CG 4.47Å; V204-Y241 HydrophobicContact CG2-CD1 4.35Å; V204-Y241 HydrophobicContact CG2-CG 4.21Å; V204-S244 WeakPolarHBondContact CG1-OG 3.33Å; V204-L245 HydrophobicContact CG2-CD2 4.11Å; V204-L245 HydrophobicContact CG2-CG 4.44Å |
| 205 | Y | 89.9 | Confident | 90.1 | Very high | 110 Ų | 110 | 46.8 Ų | 46.8 | 43% | 0.431 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.2 | -45.3 | 172.8 | 177.4 | -103.3 | 0 | 0 | 0 | 112.6 | V153 P201 Y202 F203 I207 S208 G209 | V153-Y205 HydrophobicContact CB-CD1 3.93Å; V153-Y205 HydrophobicContact CB-CD2 3.86Å; V153-Y205 HydrophobicContact CB-CE1 4.09Å; V153-Y205 HydrophobicContact CB-CE2 4Å; V153-Y205 HydrophobicContact CB-CG 3.81Å; V153-Y205 HydrophobicContact CG1-CD1 3.94Å; V153-Y205 HydrophobicContact CG1-CD2 4.5Å; V153-Y205 HydrophobicContact CG1-CE1 4.44Å; V153-Y205 HydrophobicContact CG1-CG 3.97Å; V153-Y205 HydrophobicContact CG2-CD1 4.3Å; V153-Y205 HydrophobicContact CG2-CD2 3.39Å; V153-Y205 HydrophobicContact CG2-CE2 3.83Å; V153-Y205 HydrophobicContact CG2-CG 3.65Å; P201-Y205 WeakPolarHBondContact O-CB 3.34Å; P201-Y205 PolarHBondContact O-N 3.18Å; Y202-Y205 WeakPolarHBondContact O-CB 3.41Å; Y202-Y205 PolarHBondContact O-N 2.82Å; F203-Y205 VanDerWaalsContact C-N 3.3Å; F203-Y205 PolarHBondContact O-N 3.35Å; Y205-I207 VanDerWaalsContact C-N 3.31Å; Y205-I207 PolarHBondContact O-N 2.86Å; Y205-S208 WeakPolarHBondContact O-CB 3.42Å; Y205-S208 PolarHBondContact O-N 2.98Å; Y205-S208 VanDerWaalsContact O-N 3.14Å; Y205-G209 PolarHBondContact O-N 2.92Å |
| 206 | V | 91.8 | Very high | 90.2 | Very high | 31 Ų | 31 | 41.4 Ų | 41.4 | 19% | 0.188 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.7 | -44.2 | 174.1 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | Y168 T172 L176 Y202 F203 S208 G209 L223 M226 | Y168-V206 WeakPolarHBondContact OH-CG2 3.27Å; T172-V206 HydrophobicContact CG2-CG2 4.43Å; L176-V206 HydrophobicContact CD1-CG1 4.26Å; Y202-V206 WeakPolarHBondContact O-CG2 3.38Å; Y202-V206 PolarHBondContact O-N 3.29Å; F203-V206 PolarHBondContact O-N 3.37Å; V206-S208 PolarHBondContact O-N 3.37Å; V206-G209 WeakPolarHBondContact O-CA 3.5Å; V206-G209 PolarHBondContact O-N 3.06Å; V206-L223 HydrophobicContact CG1-CD2 3.86Å; V206-M226 HydrophobicContact CG1-CE 4.35Å |
| 207 | I | 93.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 175.2 | -71.6 | 161.6 | 0 | 0 | 0 | 111.9 | F203 Y205 G209 V210 L223 M226 V227 L230 L245 S248 | F203-I207 WeakPolarHBondContact O-CB 3.37Å; F203-I207 WeakPolarHBondContact O-CD1 3.47Å; F203-I207 WeakPolarHBondContact O-CG1 3.39Å; F203-I207 PolarHBondContact O-N 3.38Å; Y205-I207 VanDerWaalsContact C-N 3.31Å; Y205-I207 PolarHBondContact O-N 2.86Å; I207-G209 PolarHBondContact O-N 2.98Å; I207-G209 VanDerWaalsContact O-N 3.15Å; I207-V210 WeakPolarHBondContact O-CG1 3.49Å; I207-V210 PolarHBondContact O-N 2.98Å; I207-L223 HydrophobicContact CG1-CD2 4.46Å; I207-M226 HydrophobicContact CD1-CB 4.42Å; I207-M226 HydrophobicContact CD1-CG 4.18Å; I207-M226 HydrophobicContact CD1-SD 4.04Å; I207-M226 HydrophobicContact CG1-SD 4.04Å; I207-V227 HydrophobicContact CB-CG2 4.4Å; I207-V227 HydrophobicContact CD1-CG2 3.76Å; I207-V227 HydrophobicContact CG1-CG2 4Å; I207-V227 HydrophobicContact CG2-CG2 3.51Å; I207-L230 HydrophobicContact CD1-CD1 3.59Å; I207-L245 HydrophobicContact CB-CD2 4.44Å; I207-L245 HydrophobicContact CD1-CD2 3.96Å; I207-L245 HydrophobicContact CG2-CD2 3.85Å; I207-S248 PolarHBondContact O-OG 2.89Å |
| 208 | S | 89.6 | Confident | 90.5 | Very high | 52 Ų | 52 | 46.2 Ų | 46.2 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.7 | -15.8 | 173.9 | -59.8 | 0 | 0 | 0 | 0 | 112.9 | V204 Y205 V206 V210 S244 | V204-S208 WeakPolarHBondContact O-CB 3.44Å; V204-S208 PolarHBondContact O-N 2.76Å; V204-S208 PolarHBondContact O-OG 2.98Å; Y205-S208 WeakPolarHBondContact O-CB 3.42Å; Y205-S208 PolarHBondContact O-N 2.98Å; Y205-S208 VanDerWaalsContact O-N 3.14Å; V206-S208 PolarHBondContact O-N 3.37Å; S208-V210 VanDerWaalsContact C-N 3.27Å; S208-V210 PolarHBondContact O-N 3.09Å; S208-S244 PolarHBondContact OG-OG 3.2Å |
| 209 | G | 87.1 | Confident | 90.8 | Very high | 24 Ų | 24 | 45.2 Ų | 45.2 | 25% | 0.247 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -72.9 | -2.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y205 V206 I207 K211 S212 | Y205-G209 PolarHBondContact O-N 2.92Å; V206-G209 WeakPolarHBondContact O-CA 3.5Å; V206-G209 PolarHBondContact O-N 3.06Å; I207-G209 PolarHBondContact O-N 2.98Å; I207-G209 VanDerWaalsContact O-N 3.15Å; G209-K211 PolarHBondContact O-N 2.68Å; G209-S212 PolarHBondContact O-N 2.93Å; G209-S212 PolarHBondContact O-OG 2.93Å |
| 210 | V | 90.5 | Very high | 91.1 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.03 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -45.7 | -29 | -178.9 | -80.1 | 0 | 0 | 0 | 0 | 115.1 | I207 S208 V213 S214 L220 L223 Y251 | I207-V210 WeakPolarHBondContact O-CG1 3.49Å; I207-V210 PolarHBondContact O-N 2.98Å; S208-V210 VanDerWaalsContact C-N 3.27Å; S208-V210 PolarHBondContact O-N 3.09Å; V210-V213 PolarHBondContact O-N 3.36Å; V210-S214 PolarHBondContact O-N 3.21Å; V210-L220 HydrophobicContact CB-CD2 4.04Å; V210-L220 HydrophobicContact CG1-CD2 4.03Å; V210-L223 HydrophobicContact CG1-CB 4.41Å; V210-L223 HydrophobicContact CG1-CD1 3.78Å; V210-Y251 HydrophobicContact CB-CD1 3.96Å; V210-Y251 HydrophobicContact CB-CE1 4.4Å; V210-Y251 HydrophobicContact CG2-CD1 3.65Å; V210-Y251 HydrophobicContact CG2-CE1 4.39Å; V210-Y251 HydrophobicContact CG2-CG 4.21Å |
| 211 | K | 89.4 | Confident | 91.3 | Very high | 141 Ų | 141 | 47.6 Ų | 47.6 | 61% | 0.613 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -63.4 | -40.9 | 178.3 | -61.9 | -164.7 | 175 | -171.8 | 0 | 113.9 | G209 V213 S214 Y251 | G209-K211 PolarHBondContact O-N 2.68Å; K211-V213 VanDerWaalsContact C-N 3.26Å; K211-V213 PolarHBondContact O-N 3.33Å; K211-S214 WeakPolarHBondContact O-CB 3.44Å; K211-S214 PolarHBondContact O-N 2.95Å; K211-S214 PolarHBondContact O-OG 3.47Å; K211-Y251 HydrophobicContact CD-CE2 4.31Å; K211-Y251 HydrophobicContact CG-CD1 4.44Å; K211-Y251 HydrophobicContact CG-CD2 4.15Å; K211-Y251 HydrophobicContact CG-CE1 4.13Å; K211-Y251 HydrophobicContact CG-CE2 3.85Å; K211-Y251 HydrophobicContact CG-CG 4.46Å |
| 212 | S | 89.8 | Confident | 91.6 | Very high | 91 Ų | 91 | 46.6 Ų | 46.6 | 64% | 0.636 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -19.4 | -179.6 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | G209 H215 | G209-S212 PolarHBondContact O-N 2.93Å; G209-S212 PolarHBondContact O-OG 2.93Å; S212-H215 PolarHBondContact O-CE1 3.08Å; S212-H215 VanDerWaalsContact O-CE1 3.22Å; S212-H215 PolarHBondContact O-ND1 3.06Å |
| 213 | V | 90.1 | Very high | 91.9 | Very high | 37 Ų | 37 | 46.3 Ų | 46.3 | 22% | 0.224 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 12.4 | -179 | -153.5 | 0 | 0 | 0 | 0 | 112 | V210 K211 H215 D216 Q219 | V210-V213 PolarHBondContact O-N 3.36Å; K211-V213 VanDerWaalsContact C-N 3.26Å; K211-V213 PolarHBondContact O-N 3.33Å; V213-H215 PolarHBondContact O-N 3.24Å; V213-D216 HydrophobicContact CG1-CB 4.14Å; V213-D216 PolarHBondContact O-N 3.36Å; V213-Q219 HydrophobicContact CG1-CB 3.4Å; V213-Q219 HydrophobicContact CG1-CG 4.17Å |
| 214 | S | 90.4 | Very high | 92.1 | Very high | 22 Ų | 22 | 46.5 Ų | 46.5 | 15% | 0.154 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -5.8 | -176.9 | 55 | 0 | 0 | 0 | 0 | 115.9 | V210 K211 Y251 A258 A259 | V210-S214 PolarHBondContact O-N 3.21Å; K211-S214 WeakPolarHBondContact O-CB 3.44Å; K211-S214 PolarHBondContact O-N 2.95Å; K211-S214 PolarHBondContact O-OG 3.47Å; S214-Y251 WeakPolarHBondContact CB-OH 3.27Å; S214-A258 PolarHBondContact O-N 2.93Å; S214-A259 PolarHBondContact O-N 3.49Å |
| 215 | H | 91.2 | Very high | 92.3 | Very high | 124 Ų | 124 | 48.6 Ų | 48.6 | 57% | 0.574 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -18.3 | 175.8 | 58.9 | -89.5 | 0 | 0 | 0 | 113.8 | S212 V213 A258 | S212-H215 PolarHBondContact O-CE1 3.08Å; S212-H215 VanDerWaalsContact O-CE1 3.22Å; S212-H215 PolarHBondContact O-ND1 3.06Å; V213-H215 PolarHBondContact O-N 3.24Å; H215-A258 HydrophobicContact CB-CB 4.13Å |
| 216 | D | 92.8 | Very high | 92.7 | Very high | 55 Ų | 55 | 43.4 Ų | 43.4 | 29% | 0.294 | 23% | 0.234 | S | C | . | . | trans | -112.7 | 113 | -175.9 | -177.2 | -34.2 | 0 | 0 | 0 | 110.2 | V213 E218 Q219 L220 | V213-D216 HydrophobicContact CG1-CB 4.14Å; V213-D216 PolarHBondContact O-N 3.36Å; D216-E218 WeakPolarHBondContact OD1-CB 3.1Å; D216-E218 PolarHBondContact OD1-N 3.44Å; D216-Q219 HydrophobicContact CB-CB 4.12Å; D216-Q219 HydrophobicContact CB-CG 4.14Å; D216-Q219 WeakPolarHBondContact OD1-CG 3.18Å; D216-Q219 PolarHBondContact OD1-N 3.43Å; D216-Q219 WeakPolarHBondContact OD2-CG 3.47Å; D216-L220 VanDerWaalsContact O-CG 3.27Å; D216-L220 WeakPolarHBondContact O-CG 3.47Å; D216-L220 PolarHBondContact O-N 3.32Å | ||
| 217 | L | 92.7 | Very high | 92.9 | Very high | 38 Ų | 38 | 42 Ų | 42 | 20% | 0.199 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.8 | -34 | -176.5 | -169.1 | 70.2 | 0 | 0 | 0 | 112.7 | N221 A259 N265 H267 L270 | L217-N221 PolarHBondContact O-N 3.04Å; L217-N221 VanDerWaalsContact O-N 3.08Å; L217-A259 HydrophobicContact CB-CB 4.3Å; L217-N265 HydrophobicContact CD2-CB 4.38Å; L217-H267 HydrophobicContact CD1-CB 3.98Å; L217-L270 HydrophobicContact CD1-CB 3.98Å; L217-L270 HydrophobicContact CD1-CD1 3.92Å; L217-L270 HydrophobicContact CD1-CD2 4.25Å; L217-L270 HydrophobicContact CD1-CG 4.25Å |
| 218 | E | 92.3 | Very high | 93.1 | Very high | 121 Ų | 121 | 45.6 Ų | 45.6 | 57% | 0.565 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -67.4 | -46.3 | 178.2 | -78.6 | -163.5 | -144.7 | 0 | 0 | 110.8 | D216 L220 N221 R222 | D216-E218 WeakPolarHBondContact OD1-CB 3.1Å; D216-E218 PolarHBondContact OD1-N 3.44Å; E218-L220 PolarHBondContact O-N 3.39Å; E218-N221 CarbonylContact O-C 3.59Å; E218-N221 WeakPolarHBondContact O-CB 3.48Å; E218-N221 PolarHBondContact O-N 2.91Å; E218-N221 VanDerWaalsContact O-N 3.1Å; E218-R222 WeakPolarHBondContact O-CB 3.39Å; E218-R222 WeakPolarHBondContact O-CD 3.19Å; E218-R222 WeakPolarHBondContact O-CG 3.38Å; E218-R222 PolarHBondContact O-N 3.35Å; E218-R222 IonicContact OE2-CZ 3.69Å; E218-R222 IonicContact OE2-NE 2.87Å; E218-R222 PolarHBondContact OE2-NE 2.87Å; E218-R222 IonicContact OE2-NH2 2.84Å; E218-R222 PolarHBondContact OE2-NH2 3.47Å |
| 219 | Q | 93.3 | Very high | 93.5 | Very high | 34 Ų | 34 | 43.5 Ų | 43.5 | 16% | 0.159 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.5 | -37.2 | -179.2 | -63.9 | -70.1 | -7.3 | 0 | 0 | 111.9 | L176 V213 D216 N221 R222 L223 | L176-Q219 PolarHBondContact O-NE2 3.4Å; L176-Q219 PolarHBondContact O-OE1 3.32Å; V213-Q219 HydrophobicContact CG1-CB 3.4Å; V213-Q219 HydrophobicContact CG1-CG 4.17Å; D216-Q219 HydrophobicContact CB-CB 4.12Å; D216-Q219 HydrophobicContact CB-CG 4.14Å; D216-Q219 WeakPolarHBondContact OD1-CG 3.18Å; D216-Q219 PolarHBondContact OD1-N 3.43Å; D216-Q219 WeakPolarHBondContact OD2-CG 3.47Å; Q219-N221 VanDerWaalsContact C-N 3.34Å; Q219-N221 PolarHBondContact O-N 3.34Å; Q219-R222 PolarHBondContact O-N 2.98Å; Q219-L223 VanDerWaalsContact O-CG 3.31Å; Q219-L223 WeakPolarHBondContact O-CG 3.35Å; Q219-L223 PolarHBondContact O-N 3.41Å |
| 220 | L | 94.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.8 | -43.3 | 169 | -70.3 | 172.7 | 0 | 0 | 0 | 111.7 | V210 D216 E218 L223 L224 L257 L270 | V210-L220 HydrophobicContact CB-CD2 4.04Å; V210-L220 HydrophobicContact CG1-CD2 4.03Å; D216-L220 VanDerWaalsContact O-CG 3.27Å; D216-L220 WeakPolarHBondContact O-CG 3.47Å; D216-L220 PolarHBondContact O-N 3.32Å; E218-L220 PolarHBondContact O-N 3.39Å; L220-L223 PolarHBondContact O-N 3.24Å; L220-L224 WeakPolarHBondContact O-CG 3.27Å; L220-L224 PolarHBondContact O-N 3.16Å; L220-L257 HydrophobicContact CD1-CD1 3.83Å; L220-L257 HydrophobicContact CD1-CD2 3.96Å; L220-L257 HydrophobicContact CD1-CG 4.38Å; L220-L270 HydrophobicContact CB-CD1 3.81Å |
| 221 | N | 94.9 | Very high | 94.1 | Very high | 58 Ų | 58 | 42.6 Ų | 42.6 | 31% | 0.31 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66 | -41.6 | 177.3 | -166.2 | 29.8 | 0 | 0 | 0 | 112.1 | L217 E218 Q219 L223 L224 H225 L270 | L217-N221 PolarHBondContact O-N 3.04Å; L217-N221 VanDerWaalsContact O-N 3.08Å; E218-N221 CarbonylContact O-C 3.59Å; E218-N221 WeakPolarHBondContact O-CB 3.48Å; E218-N221 PolarHBondContact O-N 2.91Å; E218-N221 VanDerWaalsContact O-N 3.1Å; Q219-N221 VanDerWaalsContact C-N 3.34Å; Q219-N221 PolarHBondContact O-N 3.34Å; N221-L223 VanDerWaalsContact C-N 3.31Å; N221-L223 PolarHBondContact O-N 3.11Å; N221-L224 PolarHBondContact O-N 3.22Å; N221-L224 VanDerWaalsContact O-N 3.16Å; N221-H225 PolarHBondContact ND2-NE2 2.95Å; N221-H225 PolarHBondContact O-CD2 2.64Å; N221-H225 VanDerWaalsContact O-CD2 3.24Å; N221-H225 PolarHBondContact O-N 3.08Å; N221-H225 PolarHBondContact OD1-NE2 3.31Å; N221-L270 HydrophobicContact CB-CD1 3.92Å |
| 222 | R | 95.6 | Very high | 94.4 | Very high | 18 Ų | 18 | 39.1 Ų | 39.1 | 7% | 0.068 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.7 | -40.5 | 174.1 | -69 | 157.7 | -175 | -94.5 | 11.5 | 111.5 | I175 L176 G177 D178 M183 E218 Q219 H225 M226 | I175-R222 HydrophobicContact CG2-CB 4.35Å; I175-R222 PolarHBondContact O-NH1 3.46Å; L176-R222 HydrophobicContact CD2-CB 4.41Å; G177-R222 PolarHBondContact O-NH1 3.04Å; D178-R222 PolarHBondContact O-NH2 3.29Å; M183-R222 HydrophobicContact CE-CB 4.24Å; M183-R222 HydrophobicContact CE-CG 3.68Å; M183-R222 HydrophobicContact SD-CG 3.92Å; E218-R222 WeakPolarHBondContact O-CB 3.39Å; E218-R222 WeakPolarHBondContact O-CD 3.19Å; E218-R222 WeakPolarHBondContact O-CG 3.38Å; E218-R222 PolarHBondContact O-N 3.35Å; E218-R222 IonicContact OE2-CZ 3.69Å; E218-R222 IonicContact OE2-NE 2.87Å; E218-R222 PolarHBondContact OE2-NE 2.87Å; E218-R222 IonicContact OE2-NH2 2.84Å; E218-R222 PolarHBondContact OE2-NH2 3.47Å; Q219-R222 PolarHBondContact O-N 2.98Å; R222-H225 PolarHBondContact O-N 3.08Å; R222-M226 PolarHBondContact O-N 2.92Å |
| 223 | L | 96.2 | Very high | 94.6 | Very high | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.2 | -42.8 | 172.5 | -70.2 | 171.7 | 0 | 0 | 0 | 112.6 | L176 V206 I207 V210 Q219 L220 N221 H225 M226 V227 | L176-L223 HydrophobicContact CD2-CD2 3.97Å; L176-L223 HydrophobicContact CD2-CG 4.21Å; V206-L223 HydrophobicContact CG1-CD2 3.86Å; I207-L223 HydrophobicContact CG1-CD2 4.46Å; V210-L223 HydrophobicContact CG1-CB 4.41Å; V210-L223 HydrophobicContact CG1-CD1 3.78Å; Q219-L223 VanDerWaalsContact O-CG 3.31Å; Q219-L223 WeakPolarHBondContact O-CG 3.35Å; Q219-L223 PolarHBondContact O-N 3.41Å; L220-L223 PolarHBondContact O-N 3.24Å; N221-L223 VanDerWaalsContact C-N 3.31Å; N221-L223 PolarHBondContact O-N 3.11Å; L223-H225 VanDerWaalsContact C-N 3.3Å; L223-H225 PolarHBondContact O-N 3.48Å; L223-M226 HydrophobicContact CD2-CE 4.3Å; L223-M226 WeakPolarHBondContact O-CB 3.3Å; L223-M226 PolarHBondContact O-N 2.93Å; L223-M226 VanDerWaalsContact O-N 3.1Å; L223-V227 WeakPolarHBondContact O-CG2 3.4Å; L223-V227 PolarHBondContact O-N 2.89Å |
| 224 | L | 96.7 | Very high | 94.8 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.2 | -31.7 | 175 | -67.1 | 170.8 | 0 | 0 | 0 | 112.4 | L220 N221 K228 V249 C252 L270 Y273 A274 L277 | L220-L224 WeakPolarHBondContact O-CG 3.27Å; L220-L224 PolarHBondContact O-N 3.16Å; N221-L224 PolarHBondContact O-N 3.22Å; N221-L224 VanDerWaalsContact O-N 3.16Å; L224-K228 PolarHBondContact O-N 3.14Å; L224-K228 VanDerWaalsContact O-N 3.12Å; L224-V249 HydrophobicContact CD2-CB 4.48Å; L224-V249 HydrophobicContact CD2-CG1 4.47Å; L224-V249 HydrophobicContact CD2-CG2 3.96Å; L224-C252 HydrophobicContact CD1-CB 4.3Å; L224-C252 HydrophobicContact CD2-CB 4.33Å; L224-L270 HydrophobicContact CD1-CD1 3.92Å; L224-L270 HydrophobicContact CD1-CD2 4.4Å; L224-L270 HydrophobicContact CD1-CG 3.86Å; L224-Y273 HydrophobicContact CB-CD1 4.02Å; L224-Y273 HydrophobicContact CB-CE1 3.59Å; L224-Y273 HydrophobicContact CD1-CD1 4.21Å; L224-Y273 PolarHBondContact O-OH 3.32Å; L224-A274 HydrophobicContact CD1-CB 3.92Å; L224-A274 HydrophobicContact CD2-CB 4.22Å; L224-L277 HydrophobicContact CB-CD2 4.19Å; L224-L277 HydrophobicContact CD2-CD2 4.15Å; L224-L277 VanDerWaalsContact O-CD2 3.22Å; L224-L277 WeakPolarHBondContact O-CD2 3.42Å |
| 225 | H | 96.6 | Very high | 94.9 | Very high | 51 Ų | 51 | 44 Ų | 44 | 24% | 0.236 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.3 | -39.4 | 168.9 | -69.3 | -45.9 | 0 | 0 | 0 | 112.3 | M183 L187 N221 R222 L223 K228 S229 Y273 | M183-H225 HydrophobicContact CE-CB 4.27Å; L187-H225 HydrophobicContact CD1-CB 3.78Å; L187-H225 HydrophobicContact CD2-CB 4.17Å; N221-H225 PolarHBondContact ND2-NE2 2.95Å; N221-H225 PolarHBondContact O-CD2 2.64Å; N221-H225 VanDerWaalsContact O-CD2 3.24Å; N221-H225 PolarHBondContact O-N 3.08Å; N221-H225 PolarHBondContact OD1-NE2 3.31Å; R222-H225 PolarHBondContact O-N 3.08Å; L223-H225 VanDerWaalsContact C-N 3.3Å; L223-H225 PolarHBondContact O-N 3.48Å; H225-K228 WeakPolarHBondContact O-CB 3.43Å; H225-K228 PolarHBondContact O-N 2.82Å; H225-S229 PolarHBondContact O-N 2.83Å; H225-Y273 AromaticContact CE1-CE1 3.67Å; H225-Y273 AromaticContact CE1-CZ 3.66Å; H225-Y273 AromaticContact ND1-CE1 3.57Å; H225-Y273 AromaticContact ND1-CZ 3.4Å; H225-Y273 PolarHBondContact ND1-OH 2.92Å |
| 226 | M | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.5 | -44.8 | 173.4 | -165.5 | -169.8 | -61.9 | 0 | 0 | 111.8 | I175 L187 L190 F203 V206 I207 R222 L223 K228 S229 L230 | I175-M226 HydrophobicContact CB-CE 4.11Å; I175-M226 HydrophobicContact CD1-CE 4.01Å; I175-M226 HydrophobicContact CD1-CG 4.22Å; I175-M226 HydrophobicContact CG2-CB 4.46Å; I175-M226 HydrophobicContact CG2-CE 3.74Å; L187-M226 HydrophobicContact CD2-CB 4.34Å; L190-M226 HydrophobicContact CD1-CG 3.82Å; F203-M226 HydrophobicContact CB-SD 4.46Å; F203-M226 HydrophobicContact CD1-SD 4.18Å; V206-M226 HydrophobicContact CG1-CE 4.35Å; I207-M226 HydrophobicContact CD1-CB 4.42Å; I207-M226 HydrophobicContact CD1-CG 4.18Å; I207-M226 HydrophobicContact CD1-SD 4.04Å; I207-M226 HydrophobicContact CG1-SD 4.04Å; R222-M226 PolarHBondContact O-N 2.92Å; L223-M226 HydrophobicContact CD2-CE 4.3Å; L223-M226 WeakPolarHBondContact O-CB 3.3Å; L223-M226 PolarHBondContact O-N 2.93Å; L223-M226 VanDerWaalsContact O-N 3.1Å; M226-K228 VanDerWaalsContact C-N 3.34Å; M226-K228 PolarHBondContact O-N 3.31Å; M226-S229 PolarHBondContact O-N 3.35Å; M226-L230 HydrophobicContact CG-CD1 4.46Å; M226-L230 WeakPolarHBondContact O-CG 3.34Å; M226-L230 PolarHBondContact O-N 3.01Å; M226-L230 VanDerWaalsContact O-N 3.09Å |
| 227 | V | 97.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -54 | -50.6 | 172.6 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | I207 L223 S229 L230 V231 L245 V249 L277 I281 | I207-V227 HydrophobicContact CB-CG2 4.4Å; I207-V227 HydrophobicContact CD1-CG2 3.76Å; I207-V227 HydrophobicContact CG1-CG2 4Å; I207-V227 HydrophobicContact CG2-CG2 3.51Å; L223-V227 WeakPolarHBondContact O-CG2 3.4Å; L223-V227 PolarHBondContact O-N 2.89Å; V227-S229 PolarHBondContact O-N 2.89Å; V227-L230 PolarHBondContact O-N 3.02Å; V227-V231 HydrophobicContact CG1-CG2 4.08Å; V227-V231 VanDerWaalsContact O-CB 3.31Å; V227-V231 WeakPolarHBondContact O-CB 3.33Å; V227-V231 WeakPolarHBondContact O-CG2 3.2Å; V227-V231 PolarHBondContact O-N 3.49Å; V227-L245 HydrophobicContact CG2-CD2 4.31Å; V227-V249 HydrophobicContact CG1-CG2 4.03Å; V227-V249 HydrophobicContact CG2-CG2 4.5Å; V227-L277 HydrophobicContact CB-CD2 4.02Å; V227-L277 HydrophobicContact CG1-CD1 4.41Å; V227-L277 HydrophobicContact CG1-CD2 3.84Å; V227-L277 HydrophobicContact CG1-CG 4.27Å; V227-I281 HydrophobicContact CG1-CD1 3.83Å |
| 228 | K | 97.2 | Very high | 94.4 | Very high | 77 Ų | 77 | 40.6 Ų | 40.6 | 34% | 0.335 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.6 | -45 | 179.3 | 180 | 179.6 | 171 | -175 | 0 | 112.4 | L224 H225 M226 V231 Q232 Y273 L277 | L224-K228 PolarHBondContact O-N 3.14Å; L224-K228 VanDerWaalsContact O-N 3.12Å; H225-K228 WeakPolarHBondContact O-CB 3.43Å; H225-K228 PolarHBondContact O-N 2.82Å; M226-K228 VanDerWaalsContact C-N 3.34Å; M226-K228 PolarHBondContact O-N 3.31Å; K228-V231 PolarHBondContact O-N 3Å; K228-Q232 HydrophobicContact CG-CG 4.47Å; K228-Q232 WeakPolarHBondContact O-CB 3.32Å; K228-Q232 VanDerWaalsContact O-CG 3.3Å; K228-Q232 WeakPolarHBondContact O-CG 3.32Å; K228-Q232 PolarHBondContact O-N 2.98Å; K228-Y273 HydrophobicContact CD-CE2 4.35Å; K228-Y273 WeakPolarHBondContact CD-OH 3.46Å; K228-L277 HydrophobicContact CB-CD1 3.86Å; K228-L277 HydrophobicContact CG-CD1 4.34Å |
| 229 | S | 96.9 | Very high | 94 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 6% | 0.056 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.2 | -44.9 | 178.2 | -75.7 | 0 | 0 | 0 | 0 | 112.6 | L187 H225 M226 V227 Q232 N233 | L187-S229 WeakPolarHBondContact O-CB 3.43Å; L187-S229 PolarHBondContact O-OG 3.24Å; H225-S229 PolarHBondContact O-N 2.83Å; M226-S229 PolarHBondContact O-N 3.35Å; V227-S229 PolarHBondContact O-N 2.89Å; S229-Q232 PolarHBondContact O-N 3.5Å; S229-N233 PolarHBondContact O-N 3.16Å |
| 230 | L | 95.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.2 | -42.5 | 177.2 | -64.8 | 170.6 | 0 | 0 | 0 | 112 | L190 I196 F203 I207 M226 V227 Q232 N233 L236 | L190-L230 HydrophobicContact CD2-CD2 4.3Å; I196-L230 HydrophobicContact CD1-CD2 4.42Å; F203-L230 HydrophobicContact CB-CD1 3.86Å; F203-L230 HydrophobicContact CD2-CD2 4.35Å; I207-L230 HydrophobicContact CD1-CD1 3.59Å; M226-L230 HydrophobicContact CG-CD1 4.46Å; M226-L230 WeakPolarHBondContact O-CG 3.34Å; M226-L230 PolarHBondContact O-N 3.01Å; M226-L230 VanDerWaalsContact O-N 3.09Å; V227-L230 PolarHBondContact O-N 3.02Å; L230-Q232 VanDerWaalsContact C-N 3.26Å; L230-Q232 PolarHBondContact O-N 3.19Å; L230-N233 PolarHBondContact O-N 3.41Å; L230-L236 HydrophobicContact CD2-CD1 3.86Å |
| 231 | V | 95.2 | Very high | 93.3 | Very high | 8 Ų | 8 | 41.6 Ų | 41.6 | 5% | 0.048 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.3 | -30 | 179.6 | 165.5 | 0 | 0 | 0 | 0 | 112.7 | V227 K228 L238 L245 I281 H285 | V227-V231 HydrophobicContact CG1-CG2 4.08Å; V227-V231 VanDerWaalsContact O-CB 3.31Å; V227-V231 WeakPolarHBondContact O-CB 3.33Å; V227-V231 WeakPolarHBondContact O-CG2 3.2Å; V227-V231 PolarHBondContact O-N 3.49Å; K228-V231 PolarHBondContact O-N 3Å; V231-L238 HydrophobicContact CG2-CD1 4.04Å; V231-L245 HydrophobicContact CG2-CD1 4.3Å; V231-I281 HydrophobicContact CB-CG1 4.48Å; V231-I281 HydrophobicContact CG1-CG1 3.96Å; V231-I281 HydrophobicContact CG2-CD1 4.26Å; V231-I281 HydrophobicContact CG2-CG1 3.76Å; V231-H285 PolarHBondContact O-NE2 3.35Å; V231-H285 VanDerWaalsContact O-NE2 3.09Å |
| 232 | Q | 95.4 | Very high | 93.1 | Very high | 69 Ų | 69 | 38.9 Ų | 38.9 | 32% | 0.322 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -0.5 | 179.2 | -66.2 | -174.3 | -12.3 | 0 | 0 | 114.1 | Q191 K228 S229 L230 P234 H280 | Q191-Q232 HydrophobicContact CG-CB 4.19Å; K228-Q232 HydrophobicContact CG-CG 4.47Å; K228-Q232 WeakPolarHBondContact O-CB 3.32Å; K228-Q232 VanDerWaalsContact O-CG 3.3Å; K228-Q232 WeakPolarHBondContact O-CG 3.32Å; K228-Q232 PolarHBondContact O-N 2.98Å; S229-Q232 PolarHBondContact O-N 3.5Å; L230-Q232 VanDerWaalsContact C-N 3.26Å; L230-Q232 PolarHBondContact O-N 3.19Å; Q232-P234 WeakPolarHBondContact O-CD 3.29Å; Q232-H280 WeakPolarHBondContact CG-NE2 3.13Å; Q232-H280 PolarHBondContact NE2-NE2 2.75Å |
| 233 | N | 95.4 | Very high | 92.9 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.027 | 21% | 0.209 | C | C | . | . | trans | -81.5 | 115.9 | 178.2 | -174.4 | -32.5 | 0 | 0 | 0 | 111.1 | L190 Q191 N193 S229 L230 Y235 L236 | L190-N233 PolarHBondContact O-ND2 3.32Å; Q191-N233 WeakPolarHBondContact O-CA 3.39Å; Q191-N233 WeakPolarHBondContact O-CB 3.31Å; N193-N233 PolarHBondContact O-ND2 3.07Å; S229-N233 PolarHBondContact O-N 3.16Å; L230-N233 PolarHBondContact O-N 3.41Å; N233-Y235 PolarHBondContact O-N 2.86Å; N233-Y235 WeakPolarHBondContact OD1-CB 3.37Å; N233-Y235 WeakPolarHBondContact OD1-CD2 3.3Å; N233-Y235 PolarHBondContact OD1-N 3.43Å; N233-L236 HydrophobicContact CB-CB 4.49Å; N233-L236 HydrophobicContact CB-CD1 3.96Å; N233-L236 HydrophobicContact CB-CG 4.08Å; N233-L236 PolarHBondContact O-N 3Å | ||
| 234 | P | 92.8 | Very high | 92.7 | Very high | 105 Ų | 105 | 45.1 Ų | 45.1 | 68% | 0.682 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -3.6 | -175.4 | 34.1 | -37.9 | 0 | 0 | 0 | 114.2 | Q232 | Q232-P234 WeakPolarHBondContact O-CD 3.29Š|
| 235 | Y | 92.3 | Very high | 92.6 | Very high | 143 Ų | 143 | 45 Ų | 45 | 56% | 0.561 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -2.6 | 178.2 | -52.8 | -68.4 | 0 | 0 | 0 | 112.9 | S192 N233 | S192-Y235 WeakPolarHBondContact O-CE2 3.29Å; N233-Y235 PolarHBondContact O-N 2.86Å; N233-Y235 WeakPolarHBondContact OD1-CB 3.37Å; N233-Y235 WeakPolarHBondContact OD1-CD2 3.3Å; N233-Y235 PolarHBondContact OD1-N 3.43Å |
| 236 | L | 90.9 | Very high | 92.6 | Very high | 18 Ų | 18 | 43 Ų | 43 | 9% | 0.094 | 21% | 0.21 | C | C | . | . | trans | -102.9 | 135.8 | 179.1 | -66.2 | -176.9 | 0 | 0 | 0 | 111.9 | I196 A197 L200 L230 N233 | I196-L236 HydrophobicContact CD1-CD1 4.18Å; I196-L236 HydrophobicContact CG1-CD1 4.23Å; I196-L236 HydrophobicContact CG1-CD2 4.01Å; I196-L236 HydrophobicContact CG1-CG 4.45Å; A197-L236 HydrophobicContact CB-CD2 4.04Å; L200-L236 HydrophobicContact CD1-CD1 4.37Å; L230-L236 HydrophobicContact CD2-CD1 3.86Å; N233-L236 HydrophobicContact CB-CB 4.49Å; N233-L236 HydrophobicContact CB-CD1 3.96Å; N233-L236 HydrophobicContact CB-CG 4.08Å; N233-L236 PolarHBondContact O-N 3Å | ||
| 237 | Y | 88.8 | Confident | 92.5 | Very high | 124 Ų | 124 | 46.7 Ų | 46.7 | 49% | 0.486 | 24% | 0.236 | S | C | . | . | trans | -103.8 | 108.9 | 167.8 | -177.4 | -113.4 | 0 | 0 | 0 | 109.2 | Y140 L288 | Y140-Y237 HydrophobicContact CE1-CD1 4.34Å; Y140-Y237 AromaticContact CE1-CE1 3.64Å; Y140-Y237 HydrophobicContact CE1-CE1 3.64Å; Y140-Y237 PolarHBondContact OH-OH 2.96Å; Y237-L288 HydrophobicContact CE2-CD1 4.01Å; Y237-L288 HydrophobicContact CE2-CD2 3.89Å | ||
| 238 | L | 87.4 | Confident | 92.4 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | trans | -77.7 | -32.7 | -175.4 | -61.4 | -177.6 | 0 | 0 | 0 | 113.1 | L200 V231 S240 Y241 V242 L245 | L200-L238 HydrophobicContact CD1-CD2 3.94Å; L200-L238 HydrophobicContact CD2-CD2 4.04Å; V231-L238 HydrophobicContact CG2-CD1 4.04Å; L238-S240 PolarHBondContact O-N 3.49Å; L238-Y241 WeakPolarHBondContact O-CA 3.27Å; L238-Y241 VanDerWaalsContact O-CB 3.27Å; L238-Y241 WeakPolarHBondContact O-CB 3.48Å; L238-Y241 VanDerWaalsContact O-CD2 3.3Å; L238-Y241 WeakPolarHBondContact O-CD2 3.3Å; L238-Y241 PolarHBondContact O-N 3.39Å; L238-V242 HydrophobicContact CB-CG2 3.55Å; L238-V242 HydrophobicContact CD1-CG2 4.32Å; L238-L245 HydrophobicContact CD1-CD1 4.02Å; L238-L245 HydrophobicContact CD2-CD1 4.24Å | ||
| 239 | G | 84.5 | Confident | 92.4 | Very high | 9 Ų | 9 | 43.3 Ų | 43.3 | 9% | 0.093 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.2 | -119.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | Y241 V242 | G239-Y241 VanDerWaalsContact C-N 3.32Å; G239-Y241 PolarHBondContact O-N 3.44Å; G239-V242 VanDerWaalsContact O-CG2 3.32Å; G239-V242 WeakPolarHBondContact O-CG2 3.37Å; G239-V242 PolarHBondContact O-N 3.37Å |
| 240 | S | 82.3 | Confident | 92.4 | Very high | 86 Ų | 86 | 43.8 Ų | 43.8 | 60% | 0.601 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -26.5 | 178.6 | 51.6 | 0 | 0 | 0 | 0 | 114.4 | L238 V242 R243 | L238-S240 PolarHBondContact O-N 3.49Å; S240-V242 PolarHBondContact O-N 3.1Å; S240-R243 PolarHBondContact O-N 2.95Å |
| 241 | Y | 89.2 | Confident | 92.4 | Very high | 82 Ų | 82 | 45.4 Ų | 45.4 | 32% | 0.322 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.9 | -20.3 | -179.8 | -57.1 | -65 | 0 | 0 | 0 | 112.8 | L200 P201 V204 L238 G239 R243 S244 L245 | L200-Y241 HydrophobicContact CD2-CD2 3.88Å; L200-Y241 HydrophobicContact CD2-CE2 4.26Å; L200-Y241 HydrophobicContact CG-CD2 4.21Å; P201-Y241 HydrophobicContact CB-CE1 4.44Å; V204-Y241 HydrophobicContact CB-CD1 4.38Å; V204-Y241 HydrophobicContact CG1-CD1 3.99Å; V204-Y241 HydrophobicContact CG1-CG 4.47Å; V204-Y241 HydrophobicContact CG2-CD1 4.35Å; V204-Y241 HydrophobicContact CG2-CG 4.21Å; L238-Y241 WeakPolarHBondContact O-CA 3.27Å; L238-Y241 VanDerWaalsContact O-CB 3.27Å; L238-Y241 WeakPolarHBondContact O-CB 3.48Å; L238-Y241 VanDerWaalsContact O-CD2 3.3Å; L238-Y241 WeakPolarHBondContact O-CD2 3.3Å; L238-Y241 PolarHBondContact O-N 3.39Å; G239-Y241 VanDerWaalsContact C-N 3.32Å; G239-Y241 PolarHBondContact O-N 3.44Å; Y241-R243 PolarHBondContact O-N 2.98Å; Y241-S244 PolarHBondContact O-N 2.95Å; Y241-L245 WeakPolarHBondContact O-CG 3.36Å; Y241-L245 PolarHBondContact O-N 3.27Å |
| 242 | V | 91.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -51.7 | -41.2 | 174.2 | 177.6 | 0 | 0 | 0 | 0 | 111.3 | L238 G239 S240 S244 L245 V246 I281 H285 L288 V289 L292 | L238-V242 HydrophobicContact CB-CG2 3.55Å; L238-V242 HydrophobicContact CD1-CG2 4.32Å; G239-V242 VanDerWaalsContact O-CG2 3.32Å; G239-V242 WeakPolarHBondContact O-CG2 3.37Å; G239-V242 PolarHBondContact O-N 3.37Å; S240-V242 PolarHBondContact O-N 3.1Å; V242-S244 PolarHBondContact O-N 3.47Å; V242-L245 PolarHBondContact O-N 3.27Å; V242-V246 HydrophobicContact CG1-CG2 4.27Å; V242-V246 WeakPolarHBondContact O-CB 3.19Å; V242-V246 VanDerWaalsContact O-CG2 3.29Å; V242-V246 WeakPolarHBondContact O-CG2 3.28Å; V242-V246 PolarHBondContact O-N 3.14Å; V242-I281 HydrophobicContact CG1-CG2 4.07Å; V242-H285 HydrophobicContact CG1-CB 4.39Å; V242-H285 HydrophobicContact CG2-CB 3.94Å; V242-L288 HydrophobicContact CG2-CD1 4.25Å; V242-V289 HydrophobicContact CB-CG2 4.01Å; V242-V289 HydrophobicContact CG1-CG2 4.25Å; V242-L292 HydrophobicContact CG1-CD2 4.03Å |
| 243 | R | 90.6 | Very high | 92.5 | Very high | 119 Ų | 119 | 41.7 Ų | 41.7 | 45% | 0.449 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.8 | -35.7 | 178.6 | -171.9 | -178.6 | -72.3 | 116.3 | -6.8 | 112.7 | S240 Y241 S247 V289 | S240-R243 PolarHBondContact O-N 2.95Å; Y241-R243 PolarHBondContact O-N 2.98Å; R243-S247 VanDerWaalsContact O-CB 3.32Å; R243-S247 WeakPolarHBondContact O-CB 3.21Å; R243-S247 PolarHBondContact O-N 2.96Å; R243-V289 VanDerWaalsContact NH2-CG1 3.32Å |
| 244 | S | 92.3 | Very high | 92.5 | Very high | 35 Ų | 35 | 42 Ų | 42 | 25% | 0.245 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -72.7 | -41.9 | 177 | 160.7 | 0 | 0 | 0 | 0 | 111.6 | V204 S208 Y241 V242 S247 S248 | V204-S244 WeakPolarHBondContact CG1-OG 3.33Å; S208-S244 PolarHBondContact OG-OG 3.2Å; Y241-S244 PolarHBondContact O-N 2.95Å; V242-S244 PolarHBondContact O-N 3.47Å; S244-S247 PolarHBondContact O-N 3.19Å; S244-S248 PolarHBondContact O-N 3.27Å; S244-S248 PolarHBondContact O-OG 3.31Å |
| 245 | L | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.1 | -47.7 | 173.4 | -65.4 | 176.2 | 0 | 0 | 0 | 111.3 | V204 I207 V227 V231 L238 Y241 V242 S247 S248 V249 | V204-L245 HydrophobicContact CG2-CD2 4.11Å; V204-L245 HydrophobicContact CG2-CG 4.44Å; I207-L245 HydrophobicContact CB-CD2 4.44Å; I207-L245 HydrophobicContact CD1-CD2 3.96Å; I207-L245 HydrophobicContact CG2-CD2 3.85Å; V227-L245 HydrophobicContact CG2-CD2 4.31Å; V231-L245 HydrophobicContact CG2-CD1 4.3Å; L238-L245 HydrophobicContact CD1-CD1 4.02Å; L238-L245 HydrophobicContact CD2-CD1 4.24Å; Y241-L245 WeakPolarHBondContact O-CG 3.36Å; Y241-L245 PolarHBondContact O-N 3.27Å; V242-L245 PolarHBondContact O-N 3.27Å; L245-S247 VanDerWaalsContact C-N 3.35Å; L245-S247 PolarHBondContact O-N 3.41Å; L245-S248 PolarHBondContact O-N 2.78Å; L245-V249 WeakPolarHBondContact O-CG2 3.39Å; L245-V249 PolarHBondContact O-N 2.96Å |
| 246 | V | 95.6 | Very high | 92.4 | Very high | 9 Ų | 9 | 36.6 Ų | 36.6 | 6% | 0.055 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.6 | -43.3 | 175.1 | 167.1 | 0 | 0 | 0 | 0 | 111.3 | V242 S248 V249 M250 L278 I281 L292 I296 | V242-V246 HydrophobicContact CG1-CG2 4.27Å; V242-V246 WeakPolarHBondContact O-CB 3.19Å; V242-V246 VanDerWaalsContact O-CG2 3.29Å; V242-V246 WeakPolarHBondContact O-CG2 3.28Å; V242-V246 PolarHBondContact O-N 3.14Å; V246-S248 VanDerWaalsContact C-N 3.3Å; V246-S248 PolarHBondContact O-N 3.18Å; V246-V249 PolarHBondContact O-N 2.82Å; V246-M250 HydrophobicContact CG1-CG 4Å; V246-M250 VanDerWaalsContact O-CB 3.25Å; V246-M250 WeakPolarHBondContact O-CB 3.39Å; V246-M250 WeakPolarHBondContact O-CG 3.33Å; V246-M250 PolarHBondContact O-N 3Å; V246-L278 HydrophobicContact CG1-CD1 3.85Å; V246-L278 HydrophobicContact CG2-CD1 4.36Å; V246-I281 HydrophobicContact CG2-CG2 3.74Å; V246-L292 HydrophobicContact CG1-CD1 4.24Å; V246-L292 HydrophobicContact CG2-CD1 4.42Å; V246-L292 HydrophobicContact CG2-CD2 4.44Å; V246-I296 HydrophobicContact CG1-CD1 4.04Å; V246-I296 HydrophobicContact CG1-CG1 4.01Å |
| 247 | S | 94.8 | Very high | 92.3 | Very high | 79 Ų | 79 | 35.8 Ų | 35.8 | 55% | 0.552 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -59.1 | -41.2 | 176 | -171.3 | 0 | 0 | 0 | 0 | 112.3 | R243 S244 L245 M250 Y251 | R243-S247 VanDerWaalsContact O-CB 3.32Å; R243-S247 WeakPolarHBondContact O-CB 3.21Å; R243-S247 PolarHBondContact O-N 2.96Å; S244-S247 PolarHBondContact O-N 3.19Å; L245-S247 VanDerWaalsContact C-N 3.35Å; L245-S247 PolarHBondContact O-N 3.41Å; S247-M250 PolarHBondContact O-N 3.03Å; S247-Y251 WeakPolarHBondContact O-CB 3.44Å; S247-Y251 PolarHBondContact O-N 3.39Å |
| 248 | S | 95.8 | Very high | 92.2 | Very high | 8 Ų | 8 | 32 Ų | 32 | 6% | 0.056 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.7 | -39.8 | 179.5 | -51.1 | 0 | 0 | 0 | 0 | 112.2 | I207 S244 L245 V246 Y251 C252 | I207-S248 PolarHBondContact O-OG 2.89Å; S244-S248 PolarHBondContact O-N 3.27Å; S244-S248 PolarHBondContact O-OG 3.31Å; L245-S248 PolarHBondContact O-N 2.78Å; V246-S248 VanDerWaalsContact C-N 3.3Å; V246-S248 PolarHBondContact O-N 3.18Å; S248-Y251 WeakPolarHBondContact O-CB 3.34Å; S248-Y251 PolarHBondContact O-N 3.09Å; S248-C252 PolarHBondContact O-N 3.25Å; S248-C252 PolarHBondContact O-SG 3.36Å |
| 249 | V | 97.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.9 | -42.4 | 174.1 | 176.1 | 0 | 0 | 0 | 0 | 111 | L224 V227 L245 V246 Y251 C252 I253 A274 L277 L278 I281 | L224-V249 HydrophobicContact CD2-CB 4.48Å; L224-V249 HydrophobicContact CD2-CG1 4.47Å; L224-V249 HydrophobicContact CD2-CG2 3.96Å; V227-V249 HydrophobicContact CG1-CG2 4.03Å; V227-V249 HydrophobicContact CG2-CG2 4.5Å; L245-V249 WeakPolarHBondContact O-CG2 3.39Å; L245-V249 PolarHBondContact O-N 2.96Å; V246-V249 PolarHBondContact O-N 2.82Å; V249-Y251 VanDerWaalsContact C-N 3.3Å; V249-Y251 PolarHBondContact O-N 2.79Å; V249-C252 WeakPolarHBondContact O-CB 3.42Å; V249-C252 PolarHBondContact O-N 3.27Å; V249-C252 VanDerWaalsContact O-N 3.15Å; V249-I253 HydrophobicContact CG1-CD1 3.93Å; V249-I253 HydrophobicContact CG1-CG1 4.49Å; V249-I253 WeakPolarHBondContact O-CG1 3.12Å; V249-I253 PolarHBondContact O-N 3.42Å; V249-A274 HydrophobicContact CG1-CB 4.15Å; V249-A274 WeakPolarHBondContact CG1-O 3.19Å; V249-L277 HydrophobicContact CG2-CD2 4.23Å; V249-L277 HydrophobicContact CG2-CG 4.47Å; V249-L278 HydrophobicContact CG1-CB 3.93Å; V249-I281 HydrophobicContact CG2-CD1 4.05Å |
| 250 | M | 96.1 | Very high | 92.1 | Very high | 17 Ų | 17 | 32.8 Ų | 32.8 | 8% | 0.084 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63 | -33.8 | 176 | -74.3 | -71.5 | -77.6 | 0 | 0 | 112.5 | V246 S247 I253 L254 L278 I296 L300 | V246-M250 HydrophobicContact CG1-CG 4Å; V246-M250 VanDerWaalsContact O-CB 3.25Å; V246-M250 WeakPolarHBondContact O-CB 3.39Å; V246-M250 WeakPolarHBondContact O-CG 3.33Å; V246-M250 PolarHBondContact O-N 3Å; S247-M250 PolarHBondContact O-N 3.03Å; M250-I253 PolarHBondContact O-N 2.93Å; M250-I253 HydrophobicContact SD-CD1 4.25Å; M250-L254 HydrophobicContact CE-CD1 3.63Å; M250-L254 HydrophobicContact CE-CG 4.49Å; M250-L254 WeakPolarHBondContact O-CB 3.38Å; M250-L254 PolarHBondContact O-N 3.44Å; M250-L278 HydrophobicContact CG-CD1 4.06Å; M250-L278 HydrophobicContact SD-CD1 4.04Å; M250-L278 HydrophobicContact SD-CD2 3.51Å; M250-L278 VanDerWaalsContact SD-CD2 3.51Å; M250-L278 HydrophobicContact SD-CG 4.42Å; M250-I296 HydrophobicContact CE-CG2 4.21Å; M250-I296 HydrophobicContact SD-CG2 4.26Å; M250-L300 HydrophobicContact CE-CD2 4.02Å; M250-L300 HydrophobicContact CE-CG 4.15Å; M250-L300 HydrophobicContact SD-CD2 4.4Å |
| 251 | Y | 96.1 | Very high | 92.3 | Very high | 35 Ų | 35 | 35.3 Ų | 35.3 | 14% | 0.137 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.3 | -48 | 171.2 | 179.4 | -100 | 0 | 0 | 0 | 111.3 | V210 K211 S214 S247 S248 V249 I253 E255 L257 | V210-Y251 HydrophobicContact CB-CD1 3.96Å; V210-Y251 HydrophobicContact CB-CE1 4.4Å; V210-Y251 HydrophobicContact CG2-CD1 3.65Å; V210-Y251 HydrophobicContact CG2-CE1 4.39Å; V210-Y251 HydrophobicContact CG2-CG 4.21Å; K211-Y251 HydrophobicContact CD-CE2 4.31Å; K211-Y251 HydrophobicContact CG-CD1 4.44Å; K211-Y251 HydrophobicContact CG-CD2 4.15Å; K211-Y251 HydrophobicContact CG-CE1 4.13Å; K211-Y251 HydrophobicContact CG-CE2 3.85Å; K211-Y251 HydrophobicContact CG-CG 4.46Å; S214-Y251 WeakPolarHBondContact CB-OH 3.27Å; S247-Y251 WeakPolarHBondContact O-CB 3.44Å; S247-Y251 PolarHBondContact O-N 3.39Å; S248-Y251 WeakPolarHBondContact O-CB 3.34Å; S248-Y251 PolarHBondContact O-N 3.09Å; V249-Y251 VanDerWaalsContact C-N 3.3Å; V249-Y251 PolarHBondContact O-N 2.79Å; Y251-I253 VanDerWaalsContact C-N 3.31Å; Y251-I253 PolarHBondContact O-N 3.02Å; Y251-E255 HydrophobicContact CD2-CB 3.84Å; Y251-E255 HydrophobicContact CD2-CG 3.61Å; Y251-E255 HydrophobicContact CE2-CB 3.72Å; Y251-E255 HydrophobicContact CE2-CG 3.82Å; Y251-E255 PolarHBondContact O-N 3.41Å; Y251-E255 VanDerWaalsContact O-N 3.08Å; Y251-L257 HydrophobicContact CD1-CD2 4.41Å; Y251-L257 HydrophobicContact CE1-CD2 3.87Å |
| 252 | C | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.4 | -32.9 | 175.5 | -61.2 | 0 | 0 | 0 | 0 | 113.3 | L224 S248 V249 L270 R271 A274 | L224-C252 HydrophobicContact CD1-CB 4.3Å; L224-C252 HydrophobicContact CD2-CB 4.33Å; S248-C252 PolarHBondContact O-N 3.25Å; S248-C252 PolarHBondContact O-SG 3.36Å; V249-C252 WeakPolarHBondContact O-CB 3.42Å; V249-C252 PolarHBondContact O-N 3.27Å; V249-C252 VanDerWaalsContact O-N 3.15Å; C252-L270 HydrophobicContact CB-CD2 4.19Å; C252-R271 PolarHBondContact O-NH1 3.23Å; C252-A274 HydrophobicContact CB-CB 4.2Å |
| 253 | I | 96.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -74.2 | -47.5 | 177.8 | -65.4 | 165.8 | 0 | 0 | 0 | 111.6 | V249 M250 Y251 R271 A274 A275 L278 G316 | V249-I253 HydrophobicContact CG1-CD1 3.93Å; V249-I253 HydrophobicContact CG1-CG1 4.49Å; V249-I253 WeakPolarHBondContact O-CG1 3.12Å; V249-I253 PolarHBondContact O-N 3.42Å; M250-I253 PolarHBondContact O-N 2.93Å; M250-I253 HydrophobicContact SD-CD1 4.25Å; Y251-I253 VanDerWaalsContact C-N 3.31Å; Y251-I253 PolarHBondContact O-N 3.02Å; I253-R271 PolarHBondContact O-NH1 3.46Å; I253-A274 HydrophobicContact CD1-CB 4.28Å; I253-A274 HydrophobicContact CG1-CB 3.55Å; I253-A275 HydrophobicContact CD1-CB 4.35Å; I253-L278 HydrophobicContact CD1-CB 3.86Å; I253-L278 HydrophobicContact CD1-CD2 3.7Å; I253-L278 HydrophobicContact CD1-CG 4.33Å; I253-G316 WeakPolarHBondContact CG2-O 3.47Å; I253-G316 WeakPolarHBondContact O-CA 3.31Å |
| 254 | L | 95.4 | Very high | 91.4 | Very high | 11 Ų | 11 | 40.4 Ų | 40.4 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -104.4 | -29.9 | -162.8 | -70.7 | -178.3 | 0 | 0 | 0 | 115.7 | M250 L300 V303 S313 A317 | M250-L254 HydrophobicContact CE-CD1 3.63Å; M250-L254 HydrophobicContact CE-CG 4.49Å; M250-L254 WeakPolarHBondContact O-CB 3.38Å; M250-L254 PolarHBondContact O-N 3.44Å; L254-L300 HydrophobicContact CD1-CD2 4.31Å; L254-L300 HydrophobicContact CD2-CD2 4.07Å; L254-L300 HydrophobicContact CG-CD2 4.45Å; L254-V303 HydrophobicContact CD1-CG2 4.11Å; L254-V303 HydrophobicContact CD2-CB 4.24Å; L254-V303 HydrophobicContact CD2-CG1 4.28Å; L254-V303 HydrophobicContact CD2-CG2 4.08Å; L254-V303 HydrophobicContact CG-CG2 4.48Å; L254-S313 WeakPolarHBondContact O-CA 3.42Å; L254-S313 WeakPolarHBondContact O-CB 3.34Å; L254-S313 PolarHBondContact O-OG 2.81Å; L254-A317 HydrophobicContact CD2-CB 3.76Å |
| 255 | E | 93.5 | Very high | 91.3 | Very high | 68 Ų | 68 | 41 Ų | 41 | 32% | 0.318 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -86.3 | 154.5 | -169.7 | -68 | -67.7 | 114.3 | 0 | 0 | 112.1 | Y251 L257 R271 R309 | Y251-E255 HydrophobicContact CD2-CB 3.84Å; Y251-E255 HydrophobicContact CD2-CG 3.61Å; Y251-E255 HydrophobicContact CE2-CB 3.72Å; Y251-E255 HydrophobicContact CE2-CG 3.82Å; Y251-E255 PolarHBondContact O-N 3.41Å; Y251-E255 VanDerWaalsContact O-N 3.08Å; E255-L257 PolarHBondContact O-N 2.9Å; E255-L257 VanDerWaalsContact O-N 3.07Å; E255-R271 PolarHBondContact O-NH1 3.41Å; E255-R271 PolarHBondContact O-NH2 2.86Å; E255-R309 IonicContact OE1-CZ 3.76Å; E255-R309 IonicContact OE1-NH1 2.87Å; E255-R309 PolarHBondContact OE1-NH1 2.95Å |
| 256 | P | 89.8 | Confident | 91.1 | Very high | 66 Ų | 66 | 44.2 Ų | 44.2 | 43% | 0.429 | 25% | 0.254 | S | S | . | . | trans | -73.3 | 96.5 | 171.8 | 29.1 | -32.5 | 0 | 0 | 0 | 109.6 | P310 | P256-P310 HydrophobicContact CB-CG 3.94Å; P256-P310 HydrophobicContact CG-CG 4.49Å | ||
| 257 | L | 89.8 | Confident | 90.9 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | trans | -65.4 | 138.6 | 175.4 | -57.9 | 172.4 | 0 | 0 | 0 | 109.1 | L220 Y251 E255 A259 S260 L270 | L220-L257 HydrophobicContact CD1-CD1 3.83Å; L220-L257 HydrophobicContact CD1-CD2 3.96Å; L220-L257 HydrophobicContact CD1-CG 4.38Å; Y251-L257 HydrophobicContact CD1-CD2 4.41Å; Y251-L257 HydrophobicContact CE1-CD2 3.87Å; E255-L257 PolarHBondContact O-N 2.9Å; E255-L257 VanDerWaalsContact O-N 3.07Å; L257-A259 HydrophobicContact CB-CB 4.44Å; L257-A259 PolarHBondContact O-N 3.48Å; L257-S260 PolarHBondContact N-OG 3.26Å; L257-S260 WeakPolarHBondContact O-CB 3.32Å; L257-S260 PolarHBondContact O-N 3.42Å; L257-S260 PolarHBondContact O-OG 3.18Å; L257-L270 HydrophobicContact CD1-CD2 3.75Å | ||
| 258 | A | 86 | Confident | 90.9 | Very high | 46 Ų | 46 | 41.3 Ų | 41.3 | 38% | 0.38 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -58.5 | -31.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S214 H215 S260 I261 | S214-A258 PolarHBondContact O-N 2.93Å; H215-A258 HydrophobicContact CB-CB 4.13Å; A258-S260 PolarHBondContact O-N 3.2Å; A258-I261 WeakPolarHBondContact O-CB 3.3Å; A258-I261 WeakPolarHBondContact O-CG1 3.3Å; A258-I261 PolarHBondContact O-N 3.3Å |
| 259 | A | 84.7 | Confident | 90.8 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 3% | 0.025 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -57.1 | -28.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S214 L217 L257 I261 N265 | S214-A259 PolarHBondContact O-N 3.49Å; L217-A259 HydrophobicContact CB-CB 4.3Å; L257-A259 HydrophobicContact CB-CB 4.44Å; L257-A259 PolarHBondContact O-N 3.48Å; A259-I261 VanDerWaalsContact C-N 3.3Å; A259-I261 PolarHBondContact O-N 3.35Å; A259-N265 VanDerWaalsContact O-CB 3.29Å; A259-N265 WeakPolarHBondContact O-CB 3.39Å; A259-N265 PolarHBondContact O-ND2 3.41Å |
| 260 | S | 85.5 | Confident | 90.8 | Very high | 23 Ų | 23 | 43.8 Ų | 43.8 | 16% | 0.161 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -80.3 | -3.9 | -179.8 | 64.5 | 0 | 0 | 0 | 0 | 114.9 | L257 A258 N262 H267 | L257-S260 PolarHBondContact N-OG 3.26Å; L257-S260 WeakPolarHBondContact O-CB 3.32Å; L257-S260 PolarHBondContact O-N 3.42Å; L257-S260 PolarHBondContact O-OG 3.18Å; A258-S260 PolarHBondContact O-N 3.2Å; S260-N262 VanDerWaalsContact C-N 3.31Å; S260-H267 VanDerWaalsContact CB-CG 3.49Å |
| 261 | I | 85.1 | Confident | 90.8 | Very high | 139 Ų | 139 | 43 Ų | 43 | 71% | 0.713 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -73.4 | -25.7 | 174.5 | -59 | 172.2 | 0 | 0 | 0 | 111.2 | A258 A259 P263 | A258-I261 WeakPolarHBondContact O-CB 3.3Å; A258-I261 WeakPolarHBondContact O-CG1 3.3Å; A258-I261 PolarHBondContact O-N 3.3Å; A259-I261 VanDerWaalsContact C-N 3.3Å; A259-I261 PolarHBondContact O-N 3.35Å; I261-P263 WeakPolarHBondContact O-CD 3.49Å |
| 262 | N | 86.1 | Confident | 90.8 | Very high | 65 Ų | 65 | 43.2 Ų | 43.2 | 35% | 0.348 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -90.1 | 116.6 | 176.6 | 178 | 13.9 | 0 | 0 | 0 | 110.6 | S260 L264 N265 | S260-N262 VanDerWaalsContact C-N 3.31Å; N262-L264 PolarHBondContact O-N 3.12Å; N262-L264 VanDerWaalsContact O-N 3.11Å; N262-L264 WeakPolarHBondContact OD1-CB 3.41Å; N262-L264 PolarHBondContact OD1-N 3.36Å; N262-L264 VanDerWaalsContact OD1-N 3.13Å; N262-N265 HydrophobicContact CB-CB 4.42Å; N262-N265 PolarHBondContact ND2-OD1 2.98Å; N262-N265 VanDerWaalsContact ND2-OD1 3.12Å; N262-N265 WeakPolarHBondContact O-CB 3.49Å; N262-N265 PolarHBondContact O-N 3.45Å |
| 263 | P | 82.6 | Confident | 90.9 | Very high | 89 Ų | 89 | 45.4 Ų | 45.4 | 58% | 0.578 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -19 | 179 | -24.5 | 35.6 | 0 | 0 | 0 | 114.9 | I261 N265 | I261-P263 WeakPolarHBondContact O-CD 3.49Å; P263-N265 VanDerWaalsContact C-N 3.3Å |
| 264 | L | 85.1 | Confident | 91 | Very high | 155 Ų | 155 | 45.4 Ų | 45.4 | 81% | 0.812 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -17 | 176.1 | -57.2 | 176.4 | 0 | 0 | 0 | 113.1 | N262 D266 | N262-L264 PolarHBondContact O-N 3.12Å; N262-L264 VanDerWaalsContact O-N 3.11Å; N262-L264 WeakPolarHBondContact OD1-CB 3.41Å; N262-L264 PolarHBondContact OD1-N 3.36Å; N262-L264 VanDerWaalsContact OD1-N 3.13Å; L264-D266 PolarHBondContact O-N 3.12Å |
| 265 | N | 89.6 | Confident | 91.1 | Very high | 48 Ų | 48 | 44.9 Ų | 44.9 | 26% | 0.257 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -86.3 | 111.8 | -179.4 | -71.6 | -5.4 | 0 | 0 | 0 | 110.2 | L217 A259 N262 P263 H267 | L217-N265 HydrophobicContact CD2-CB 4.38Å; A259-N265 VanDerWaalsContact O-CB 3.29Å; A259-N265 WeakPolarHBondContact O-CB 3.39Å; A259-N265 PolarHBondContact O-ND2 3.41Å; N262-N265 HydrophobicContact CB-CB 4.42Å; N262-N265 PolarHBondContact ND2-OD1 2.98Å; N262-N265 VanDerWaalsContact ND2-OD1 3.12Å; N262-N265 WeakPolarHBondContact O-CB 3.49Å; N262-N265 PolarHBondContact O-N 3.45Å; P263-N265 VanDerWaalsContact C-N 3.3Å; N265-H267 PolarHBondContact O-N 3.31Å; N265-H267 PolarHBondContact O-ND1 3.39Å |
| 266 | D | 90.7 | Very high | 91.2 | Very high | 67 Ų | 67 | 47.1 Ų | 47.1 | 36% | 0.358 | 26% | 0.263 | S | S | . | . | trans | -73.3 | 68.6 | 175.5 | -176.2 | 36 | 0 | 0 | 0 | 112.6 | L264 W268 T269 | L264-D266 PolarHBondContact O-N 3.12Å; D266-W268 PolarHBondContact O-N 2.86Å; D266-W268 WeakPolarHBondContact OD1-CB 3.16Å; D266-W268 VanDerWaalsContact OD1-CD1 3.29Å; D266-T269 PolarHBondContact O-OG1 3.42Å; D266-T269 WeakPolarHBondContact OD2-CB 3.31Å; D266-T269 WeakPolarHBondContact OD2-CG2 3.41Å; D266-T269 PolarHBondContact OD2-OG1 3.44Å | ||
| 267 | H | 92.2 | Very high | 91.6 | Very high | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -72.3 | -4.1 | 175.4 | 67.2 | -88.1 | 0 | 0 | 0 | 113.1 | L217 S260 N265 R271 C312 | L217-H267 HydrophobicContact CD1-CB 3.98Å; S260-H267 VanDerWaalsContact CB-CG 3.49Å; N265-H267 PolarHBondContact O-N 3.31Å; N265-H267 PolarHBondContact O-ND1 3.39Å; H267-R271 WeakPolarHBondContact O-CG 3.22Å; H267-R271 PolarHBondContact O-N 2.87Å; H267-C312 WeakPolarHBondContact NE2-CB 3.41Å |
| 268 | W | 94.2 | Very high | 92 | Very high | 19 Ų | 19 | 44.2 Ų | 44.2 | 7% | 0.072 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -73 | -49.1 | 178.5 | -52.4 | 96.1 | 0 | 0 | 0 | 111 | D266 L270 R271 D272 C312 Y315 D361 K364 | D266-W268 PolarHBondContact O-N 2.86Å; D266-W268 WeakPolarHBondContact OD1-CB 3.16Å; D266-W268 VanDerWaalsContact OD1-CD1 3.29Å; W268-L270 VanDerWaalsContact C-N 3.26Å; W268-L270 PolarHBondContact O-N 3.49Å; W268-R271 PolarHBondContact O-N 3.05Å; W268-D272 PolarHBondContact O-N 2.93Å; W268-C312 HydrophobicContact CH2-CB 4.12Å; W268-C312 HydrophobicContact CZ3-CB 4.29Å; W268-Y315 AromaticContact CE3-CD1 3.67Å; W268-Y315 HydrophobicContact CE3-CD1 3.67Å; W268-Y315 AromaticContact CE3-CD2 3.82Å; W268-Y315 HydrophobicContact CE3-CD2 3.82Å; W268-Y315 AromaticContact CE3-CE1 3.93Å; W268-Y315 HydrophobicContact CE3-CE1 3.93Å; W268-Y315 HydrophobicContact CE3-CE2 4.05Å; W268-Y315 AromaticContact CE3-CG 3.63Å; W268-Y315 HydrophobicContact CE3-CG 3.63Å; W268-Y315 HydrophobicContact CZ3-CD1 4.07Å; W268-Y315 AromaticContact CZ3-CD2 3.85Å; W268-Y315 HydrophobicContact CZ3-CD2 3.85Å; W268-Y315 HydrophobicContact CZ3-CE2 4.5Å; W268-Y315 AromaticContact CZ3-CG 3.6Å; W268-Y315 HydrophobicContact CZ3-CG 3.6Å; W268-D361 HydrophobicContact CH2-CB 3.99Å; W268-D361 HydrophobicContact CZ2-CB 4.26Å; W268-D361 WeakPolarHBondContact CZ2-OD1 3.35Å; W268-K364 HydrophobicContact CD2-CD 4.02Å; W268-K364 HydrophobicContact CD2-CG 4.26Å; W268-K364 HydrophobicContact CE3-CB 4.1Å; W268-K364 HydrophobicContact CE3-CD 4.28Å; W268-K364 HydrophobicContact CE3-CG 4.29Å; W268-K364 HydrophobicContact CG-CD 4.31Å; W268-K364 HydrophobicContact CH2-CB 4.02Å; W268-K364 HydrophobicContact CH2-CG 4.16Å; W268-K364 HydrophobicContact CZ2-CB 4.48Å; W268-K364 HydrophobicContact CZ2-CG 4.11Å; W268-K364 HydrophobicContact CZ3-CB 3.81Å; W268-K364 HydrophobicContact CZ3-CG 4.24Å |
| 269 | T | 95.3 | Very high | 92.4 | Very high | 54 Ų | 54 | 42.8 Ų | 42.8 | 33% | 0.331 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.8 | -30.2 | 177.4 | 49.7 | 0 | 0 | 0 | 0 | 112.8 | D266 D272 Y273 L644 | D266-T269 PolarHBondContact O-OG1 3.42Å; D266-T269 WeakPolarHBondContact OD2-CB 3.31Å; D266-T269 WeakPolarHBondContact OD2-CG2 3.41Å; D266-T269 PolarHBondContact OD2-OG1 3.44Å; T269-D272 PolarHBondContact O-N 2.84Å; T269-Y273 WeakPolarHBondContact O-CB 3.26Å; T269-Y273 PolarHBondContact O-N 2.94Å; T269-L644 HydrophobicContact CG2-CD1 3.8Å |
| 270 | L | 95.6 | Very high | 92.9 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.4 | -43.5 | 170 | -176.4 | 120.7 | 0 | 0 | 0 | 112 | L217 L220 N221 L224 C252 L257 W268 Y273 A274 | L217-L270 HydrophobicContact CD1-CB 3.98Å; L217-L270 HydrophobicContact CD1-CD1 3.92Å; L217-L270 HydrophobicContact CD1-CD2 4.25Å; L217-L270 HydrophobicContact CD1-CG 4.25Å; L220-L270 HydrophobicContact CB-CD1 3.81Å; N221-L270 HydrophobicContact CB-CD1 3.92Å; L224-L270 HydrophobicContact CD1-CD1 3.92Å; L224-L270 HydrophobicContact CD1-CD2 4.4Å; L224-L270 HydrophobicContact CD1-CG 3.86Å; C252-L270 HydrophobicContact CB-CD2 4.19Å; L257-L270 HydrophobicContact CD1-CD2 3.75Å; W268-L270 VanDerWaalsContact C-N 3.26Å; W268-L270 PolarHBondContact O-N 3.49Å; L270-Y273 PolarHBondContact O-N 2.96Å; L270-A274 WeakPolarHBondContact O-CB 3.31Å; L270-A274 PolarHBondContact O-N 3.3Å |
| 271 | R | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.6 | -39.6 | 175.1 | -69 | -176.7 | -162.1 | -83.5 | 0.1 | 111.4 | C252 I253 E255 H267 W268 A274 A275 C312 Y315 | C252-R271 PolarHBondContact O-NH1 3.23Å; I253-R271 PolarHBondContact O-NH1 3.46Å; E255-R271 PolarHBondContact O-NH1 3.41Å; E255-R271 PolarHBondContact O-NH2 2.86Å; H267-R271 WeakPolarHBondContact O-CG 3.22Å; H267-R271 PolarHBondContact O-N 2.87Å; W268-R271 PolarHBondContact O-N 3.05Å; R271-A274 PolarHBondContact O-N 3.04Å; R271-A275 WeakPolarHBondContact O-CB 3.21Å; R271-A275 PolarHBondContact O-N 2.97Å; R271-C312 VanDerWaalsContact CD-O 3.29Å; R271-C312 WeakPolarHBondContact CD-O 3.41Å; R271-C312 PolarHBondContact NE-O 2.87Å; R271-C312 PolarHBondContact NH2-SG 3.17Å; R271-C312 VanDerWaalsContact NH2-SG 3.41Å; R271-Y315 HydrophobicContact CB-CD1 4.37Å; R271-Y315 HydrophobicContact CB-CE1 4.37Å |
| 272 | D | 96.7 | Very high | 93.8 | Very high | 40 Ų | 40 | 38.7 Ų | 38.7 | 21% | 0.214 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.7 | -49.3 | 175.6 | -66.8 | -14.8 | 0 | 0 | 0 | 112 | W268 T269 A274 A275 L276 Y315 | W268-D272 PolarHBondContact O-N 2.93Å; T269-D272 PolarHBondContact O-N 2.84Å; D272-A274 PolarHBondContact O-N 3.31Å; D272-A275 PolarHBondContact O-N 2.82Å; D272-L276 WeakPolarHBondContact O-CG 3.23Å; D272-L276 PolarHBondContact O-N 2.85Å; D272-Y315 VanDerWaalsContact OD1-CE1 3.26Å; D272-Y315 WeakPolarHBondContact OD1-CE1 3.48Å; D272-Y315 PolarHBondContact OD1-OH 2.81Å; D272-Y315 PolarHBondContact OD2-OH 2.96Å |
| 273 | Y | 97.8 | Very high | 94.1 | Very high | 46 Ų | 46 | 39.9 Ų | 39.9 | 18% | 0.18 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.4 | -41 | 177.5 | 176 | -120.6 | 0 | 0 | 0 | 111.8 | L224 H225 K228 T269 L270 L276 L277 | L224-Y273 HydrophobicContact CB-CD1 4.02Å; L224-Y273 HydrophobicContact CB-CE1 3.59Å; L224-Y273 HydrophobicContact CD1-CD1 4.21Å; L224-Y273 PolarHBondContact O-OH 3.32Å; H225-Y273 AromaticContact CE1-CE1 3.67Å; H225-Y273 AromaticContact CE1-CZ 3.66Å; H225-Y273 AromaticContact ND1-CE1 3.57Å; H225-Y273 AromaticContact ND1-CZ 3.4Å; H225-Y273 PolarHBondContact ND1-OH 2.92Å; K228-Y273 HydrophobicContact CD-CE2 4.35Å; K228-Y273 WeakPolarHBondContact CD-OH 3.46Å; T269-Y273 WeakPolarHBondContact O-CB 3.26Å; T269-Y273 PolarHBondContact O-N 2.94Å; L270-Y273 PolarHBondContact O-N 2.96Å; Y273-L276 PolarHBondContact O-N 3.23Å; Y273-L277 VanDerWaalsContact O-CB 3.31Å; Y273-L277 WeakPolarHBondContact O-CB 3.46Å; Y273-L277 PolarHBondContact O-N 3.43Å |
| 274 | A | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L224 V249 C252 I253 L270 R271 D272 L277 L278 | L224-A274 HydrophobicContact CD1-CB 3.92Å; L224-A274 HydrophobicContact CD2-CB 4.22Å; V249-A274 HydrophobicContact CG1-CB 4.15Å; V249-A274 WeakPolarHBondContact CG1-O 3.19Å; C252-A274 HydrophobicContact CB-CB 4.2Å; I253-A274 HydrophobicContact CD1-CB 4.28Å; I253-A274 HydrophobicContact CG1-CB 3.55Å; L270-A274 WeakPolarHBondContact O-CB 3.31Å; L270-A274 PolarHBondContact O-N 3.3Å; R271-A274 PolarHBondContact O-N 3.04Å; D272-A274 PolarHBondContact O-N 3.31Å; A274-L277 PolarHBondContact O-N 2.95Å; A274-L278 WeakPolarHBondContact O-CB 3.45Å; A274-L278 PolarHBondContact O-N 3.04Å |
| 275 | A | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.2 | -41.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I253 R271 D272 L277 L278 S279 V319 A323 | I253-A275 HydrophobicContact CD1-CB 4.35Å; R271-A275 WeakPolarHBondContact O-CB 3.21Å; R271-A275 PolarHBondContact O-N 2.97Å; D272-A275 PolarHBondContact O-N 2.82Å; A275-L277 VanDerWaalsContact C-N 3.32Å; A275-L277 PolarHBondContact O-N 3.29Å; A275-L278 PolarHBondContact O-N 3.4Å; A275-S279 PolarHBondContact O-N 3.29Å; A275-V319 HydrophobicContact CB-CB 4.43Å; A275-V319 HydrophobicContact CB-CG1 3.79Å; A275-A323 HydrophobicContact CB-CB 4.06Å; A275-A323 WeakPolarHBondContact O-CB 3.4Å |
| 276 | L | 97.3 | Very high | 94.4 | Very high | 114 Ų | 114 | 31.3 Ų | 31.3 | 60% | 0.597 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -64 | -37.9 | 172.6 | -69.2 | 173.1 | 0 | 0 | 0 | 111.8 | D272 Y273 S279 H280 | D272-L276 WeakPolarHBondContact O-CG 3.23Å; D272-L276 PolarHBondContact O-N 2.85Å; Y273-L276 PolarHBondContact O-N 3.23Å; L276-S279 PolarHBondContact O-N 3.35Å; L276-H280 WeakPolarHBondContact O-CB 3.43Å; L276-H280 PolarHBondContact O-N 3.22Å |
| 277 | L | 97.7 | Very high | 94.1 | Very high | 6 Ų | 6 | 35.4 Ų | 35.4 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.5 | -39.4 | 176.1 | -178.2 | 57.6 | 0 | 0 | 0 | 112.5 | L224 V227 K228 V249 Y273 A274 A275 H280 I281 | L224-L277 HydrophobicContact CB-CD2 4.19Å; L224-L277 HydrophobicContact CD2-CD2 4.15Å; L224-L277 VanDerWaalsContact O-CD2 3.22Å; L224-L277 WeakPolarHBondContact O-CD2 3.42Å; V227-L277 HydrophobicContact CB-CD2 4.02Å; V227-L277 HydrophobicContact CG1-CD1 4.41Å; V227-L277 HydrophobicContact CG1-CD2 3.84Å; V227-L277 HydrophobicContact CG1-CG 4.27Å; K228-L277 HydrophobicContact CB-CD1 3.86Å; K228-L277 HydrophobicContact CG-CD1 4.34Å; V249-L277 HydrophobicContact CG2-CD2 4.23Å; V249-L277 HydrophobicContact CG2-CG 4.47Å; Y273-L277 VanDerWaalsContact O-CB 3.31Å; Y273-L277 WeakPolarHBondContact O-CB 3.46Å; Y273-L277 PolarHBondContact O-N 3.43Å; A274-L277 PolarHBondContact O-N 2.95Å; A275-L277 VanDerWaalsContact C-N 3.32Å; A275-L277 PolarHBondContact O-N 3.29Å; L277-H280 WeakPolarHBondContact O-CB 3.35Å; L277-H280 PolarHBondContact O-N 3.37Å; L277-I281 HydrophobicContact CD1-CD1 4.34Å; L277-I281 HydrophobicContact CD1-CG1 4.42Å; L277-I281 HydrophobicContact CG-CD1 4.1Å; L277-I281 VanDerWaalsContact O-CG1 3.27Å; L277-I281 WeakPolarHBondContact O-CG1 3.38Å; L277-I281 PolarHBondContact O-N 3.12Å |
| 278 | L | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.4 | -48.6 | 171.8 | 176.3 | 71.2 | 0 | 0 | 0 | 110.9 | V246 V249 M250 I253 A274 A275 H280 I281 F282 I296 | V246-L278 HydrophobicContact CG1-CD1 3.85Å; V246-L278 HydrophobicContact CG2-CD1 4.36Å; V249-L278 HydrophobicContact CG1-CB 3.93Å; M250-L278 HydrophobicContact CG-CD1 4.06Å; M250-L278 HydrophobicContact SD-CD1 4.04Å; M250-L278 HydrophobicContact SD-CD2 3.51Å; M250-L278 VanDerWaalsContact SD-CD2 3.51Å; M250-L278 HydrophobicContact SD-CG 4.42Å; I253-L278 HydrophobicContact CD1-CB 3.86Å; I253-L278 HydrophobicContact CD1-CD2 3.7Å; I253-L278 HydrophobicContact CD1-CG 4.33Å; A274-L278 WeakPolarHBondContact O-CB 3.45Å; A274-L278 PolarHBondContact O-N 3.04Å; A275-L278 PolarHBondContact O-N 3.4Å; L278-H280 VanDerWaalsContact C-N 3.33Å; L278-H280 PolarHBondContact O-N 3.46Å; L278-I281 PolarHBondContact O-N 3.3Å; L278-F282 WeakPolarHBondContact O-CB 3.36Å; L278-F282 PolarHBondContact O-N 3.04Å; L278-I296 HydrophobicContact CD1-CD1 4.06Å; L278-I296 HydrophobicContact CD2-CG2 4.06Å |
| 279 | S | 95.8 | Very high | 93.2 | Very high | 16 Ų | 16 | 37.8 Ų | 37.8 | 11% | 0.112 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.4 | -43.4 | 176 | -174.8 | 0 | 0 | 0 | 0 | 111.4 | A275 L276 F282 W283 A323 | A275-S279 PolarHBondContact O-N 3.29Å; L276-S279 PolarHBondContact O-N 3.35Å; S279-F282 PolarHBondContact O-N 2.98Å; S279-W283 PolarHBondContact O-N 2.76Å; S279-A323 VanDerWaalsContact CB-O 3.23Å; S279-A323 WeakPolarHBondContact CB-O 3.36Å; S279-A323 PolarHBondContact OG-O 3.44Å |
| 280 | H | 95.4 | Very high | 92.7 | Very high | 62 Ų | 62 | 40.3 Ų | 40.3 | 29% | 0.287 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.3 | -49.2 | 175.9 | -174.3 | 34 | 0 | 0 | 0 | 112.4 | Q232 L276 L277 L278 F282 W283 T284 | Q232-H280 WeakPolarHBondContact CG-NE2 3.13Å; Q232-H280 PolarHBondContact NE2-NE2 2.75Å; L276-H280 WeakPolarHBondContact O-CB 3.43Å; L276-H280 PolarHBondContact O-N 3.22Å; L277-H280 WeakPolarHBondContact O-CB 3.35Å; L277-H280 PolarHBondContact O-N 3.37Å; L278-H280 VanDerWaalsContact C-N 3.33Å; L278-H280 PolarHBondContact O-N 3.46Å; H280-F282 VanDerWaalsContact C-N 3.32Å; H280-F282 PolarHBondContact O-N 3.38Å; H280-W283 PolarHBondContact O-N 3.4Å; H280-T284 WeakPolarHBondContact O-CG2 3.4Å; H280-T284 PolarHBondContact O-N 2.76Å; H280-T284 VanDerWaalsContact O-N 3.08Å; H280-T284 PolarHBondContact O-OG1 3.4Å; H280-T284 VanDerWaalsContact O-OG1 3.06Å |
| 281 | I | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.5 | -45.3 | 177.1 | -67.1 | 161.7 | 0 | 0 | 0 | 110.8 | V227 V231 V242 V246 V249 L277 L278 T284 H285 | V227-I281 HydrophobicContact CG1-CD1 3.83Å; V231-I281 HydrophobicContact CB-CG1 4.48Å; V231-I281 HydrophobicContact CG1-CG1 3.96Å; V231-I281 HydrophobicContact CG2-CD1 4.26Å; V231-I281 HydrophobicContact CG2-CG1 3.76Å; V242-I281 HydrophobicContact CG1-CG2 4.07Å; V246-I281 HydrophobicContact CG2-CG2 3.74Å; V249-I281 HydrophobicContact CG2-CD1 4.05Å; L277-I281 HydrophobicContact CD1-CD1 4.34Å; L277-I281 HydrophobicContact CD1-CG1 4.42Å; L277-I281 HydrophobicContact CG-CD1 4.1Å; L277-I281 VanDerWaalsContact O-CG1 3.27Å; L277-I281 WeakPolarHBondContact O-CG1 3.38Å; L277-I281 PolarHBondContact O-N 3.12Å; L278-I281 PolarHBondContact O-N 3.3Å; I281-T284 PolarHBondContact O-N 3Å; I281-H285 PolarHBondContact O-N 2.97Å |
| 282 | F | 93.5 | Very high | 91.9 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 8% | 0.075 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.8 | -50.2 | 179.5 | 176.1 | -109.6 | 0 | 0 | 0 | 111.9 | L278 S279 H280 T284 G286 Y293 L324 P414 | L278-F282 WeakPolarHBondContact O-CB 3.36Å; L278-F282 PolarHBondContact O-N 3.04Å; S279-F282 PolarHBondContact O-N 2.98Å; H280-F282 VanDerWaalsContact C-N 3.32Å; H280-F282 PolarHBondContact O-N 3.38Å; F282-T284 VanDerWaalsContact C-N 3.31Å; F282-T284 PolarHBondContact O-N 3.08Å; F282-G286 VanDerWaalsContact O-CA 3.25Å; F282-G286 WeakPolarHBondContact O-CA 3.45Å; F282-G286 PolarHBondContact O-N 3.12Å; F282-Y293 AromaticContact CE1-CD2 3.74Å; F282-Y293 HydrophobicContact CE1-CD2 3.74Å; F282-Y293 HydrophobicContact CE1-CE2 4.15Å; F282-Y293 AromaticContact CE2-CD2 3.77Å; F282-Y293 HydrophobicContact CE2-CD2 3.77Å; F282-Y293 HydrophobicContact CE2-CG 4.13Å; F282-Y293 AromaticContact CZ-CD2 3.32Å; F282-Y293 HydrophobicContact CZ-CD2 3.32Å; F282-Y293 HydrophobicContact CZ-CE2 4.13Å; F282-Y293 AromaticContact CZ-CG 3.83Å; F282-Y293 HydrophobicContact CZ-CG 3.83Å; F282-L324 HydrophobicContact CB-CD2 4.28Å; F282-L324 HydrophobicContact CD1-CD2 4.07Å; F282-L324 HydrophobicContact CG-CD2 4.21Å; F282-P414 HydrophobicContact CZ-CB 4.24Å |
| 283 | W | 91.4 | Very high | 91.6 | Very high | 90 Ų | 90 | 40.9 Ų | 40.9 | 34% | 0.341 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -76.1 | -10.2 | -177.8 | -67.5 | 113.4 | 0 | 0 | 0 | 114.8 | S279 H280 L412 | S279-W283 PolarHBondContact O-N 2.76Å; H280-W283 PolarHBondContact O-N 3.4Å; W283-L412 HydrophobicContact CD2-CD2 4.21Å; W283-L412 HydrophobicContact CE3-CD2 4.37Å; W283-L412 HydrophobicContact CH2-CB 4.06Å; W283-L412 HydrophobicContact CH2-CD2 4.06Å; W283-L412 HydrophobicContact CZ2-CB 4.03Å; W283-L412 HydrophobicContact CZ2-CD2 3.87Å; W283-L412 HydrophobicContact CZ2-CG 4.41Å; W283-L412 HydrophobicContact CZ3-CD2 4.3Å |
| 284 | T | 91.1 | Very high | 91.3 | Very high | 71 Ų | 71 | 42.7 Ų | 42.7 | 44% | 0.436 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -106.9 | -28.7 | 174.3 | 62.5 | 0 | 0 | 0 | 0 | 115 | H280 I281 F282 | H280-T284 WeakPolarHBondContact O-CG2 3.4Å; H280-T284 PolarHBondContact O-N 2.76Å; H280-T284 VanDerWaalsContact O-N 3.08Å; H280-T284 PolarHBondContact O-OG1 3.4Å; H280-T284 VanDerWaalsContact O-OG1 3.06Å; I281-T284 PolarHBondContact O-N 3Å; F282-T284 VanDerWaalsContact C-N 3.31Å; F282-T284 PolarHBondContact O-N 3.08Å |
| 285 | H | 88.8 | Confident | 91.1 | Very high | 33 Ų | 33 | 47.3 Ų | 47.3 | 15% | 0.153 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -131.2 | 4.4 | -173.1 | -61.3 | -73.2 | 0 | 0 | 0 | 113.8 | V231 V242 I281 D287 L288 | V231-H285 PolarHBondContact O-NE2 3.35Å; V231-H285 VanDerWaalsContact O-NE2 3.09Å; V242-H285 HydrophobicContact CG1-CB 4.39Å; V242-H285 HydrophobicContact CG2-CB 3.94Å; I281-H285 PolarHBondContact O-N 2.97Å; H285-D287 VanDerWaalsContact C-N 3.32Å; H285-D287 PolarHBondContact O-N 3.02Å; H285-L288 HydrophobicContact CB-CD1 4.19Å; H285-L288 WeakPolarHBondContact O-CB 3.49Å; H285-L288 WeakPolarHBondContact O-CG 3.19Å; H285-L288 PolarHBondContact O-N 3.16Å; H285-L288 VanDerWaalsContact O-N 3.14Å |
| 286 | G | 84.9 | Confident | 91 | Very high | 9 Ų | 9 | 47.4 Ų | 47.4 | 9% | 0.093 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -58.9 | -38.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | F282 L288 V289 | F282-G286 VanDerWaalsContact O-CA 3.25Å; F282-G286 WeakPolarHBondContact O-CA 3.45Å; F282-G286 PolarHBondContact O-N 3.12Å; G286-L288 PolarHBondContact O-N 3.41Å; G286-V289 PolarHBondContact O-N 3.25Å |
| 287 | D | 84.6 | Confident | 90.8 | Very high | 153 Ų | 153 | 42.1 Ų | 42.1 | 82% | 0.818 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -61.1 | -14.4 | 178.5 | -59.5 | -27.3 | 0 | 0 | 0 | 113.7 | H285 V289 | H285-D287 VanDerWaalsContact C-N 3.32Å; H285-D287 PolarHBondContact O-N 3.02Å; D287-V289 VanDerWaalsContact C-N 3.31Å |
| 288 | L | 82.5 | Confident | 90.7 | Very high | 66 Ų | 66 | 45.7 Ų | 45.7 | 35% | 0.346 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -78.6 | -13.3 | 176.1 | -54.7 | -176.3 | 0 | 0 | 0 | 113.1 | Y237 V242 H285 G286 | Y237-L288 HydrophobicContact CE2-CD1 4.01Å; Y237-L288 HydrophobicContact CE2-CD2 3.89Å; V242-L288 HydrophobicContact CG2-CD1 4.25Å; H285-L288 HydrophobicContact CB-CD1 4.19Å; H285-L288 WeakPolarHBondContact O-CB 3.49Å; H285-L288 WeakPolarHBondContact O-CG 3.19Å; H285-L288 PolarHBondContact O-N 3.16Å; H285-L288 VanDerWaalsContact O-N 3.14Å; G286-L288 PolarHBondContact O-N 3.41Å |
| 289 | V | 83.4 | Confident | 90.6 | Very high | 10 Ų | 10 | 48 Ų | 48 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -138.9 | 100.5 | -174.6 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | V242 R243 G286 D287 L292 | V242-V289 HydrophobicContact CB-CG2 4.01Å; V242-V289 HydrophobicContact CG1-CG2 4.25Å; R243-V289 VanDerWaalsContact NH2-CG1 3.32Å; G286-V289 PolarHBondContact O-N 3.25Å; D287-V289 VanDerWaalsContact C-N 3.31Å; V289-L292 HydrophobicContact CB-CB 4.04Å; V289-L292 HydrophobicContact CB-CD2 4.31Å; V289-L292 HydrophobicContact CG1-CB 4.02Å; V289-L292 HydrophobicContact CG1-CD1 4.39Å; V289-L292 WeakPolarHBondContact O-CB 3.38Å; V289-L292 PolarHBondContact O-N 3.47Å |
| 290 | S | 84.9 | Confident | 90.6 | Very high | 108 Ų | 108 | 47.2 Ų | 47.2 | 76% | 0.755 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 141.8 | 173.9 | 48.9 | 0 | 0 | 0 | 0 | 112.3 | L292 | S290-L292 PolarHBondContact O-N 2.83Å; S290-L292 VanDerWaalsContact O-N 3.14Å |
| 291 | G | 86.8 | Confident | 90.6 | Very high | 25 Ų | 25 | 46.7 Ų | 46.7 | 26% | 0.258 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 1.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y293 H294 Q295 E417 | G291-Y293 VanDerWaalsContact C-N 3.29Å; G291-Y293 PolarHBondContact O-N 3.42Å; G291-H294 PolarHBondContact O-N 2.97Å; G291-H294 VanDerWaalsContact O-N 3.1Å; G291-Q295 PolarHBondContact O-N 2.59Å; G291-E417 PolarHBondContact N-OE1 3.29Å |
| 292 | L | 90.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.2 | -41 | -177.8 | -178.4 | 67.5 | 0 | 0 | 0 | 112.4 | V242 V246 V289 S290 H294 Q295 I296 | V242-L292 HydrophobicContact CG1-CD2 4.03Å; V246-L292 HydrophobicContact CG1-CD1 4.24Å; V246-L292 HydrophobicContact CG2-CD1 4.42Å; V246-L292 HydrophobicContact CG2-CD2 4.44Å; V289-L292 HydrophobicContact CB-CB 4.04Å; V289-L292 HydrophobicContact CB-CD2 4.31Å; V289-L292 HydrophobicContact CG1-CB 4.02Å; V289-L292 HydrophobicContact CG1-CD1 4.39Å; V289-L292 WeakPolarHBondContact O-CB 3.38Å; V289-L292 PolarHBondContact O-N 3.47Å; S290-L292 PolarHBondContact O-N 2.83Å; S290-L292 VanDerWaalsContact O-N 3.14Å; L292-H294 PolarHBondContact O-N 3.34Å; L292-Q295 PolarHBondContact O-N 2.98Å; L292-I296 HydrophobicContact CD1-CD1 4.21Å; L292-I296 HydrophobicContact CD1-CG1 4.47Å; L292-I296 HydrophobicContact CG-CD1 3.9Å; L292-I296 VanDerWaalsContact O-CG1 3.28Å; L292-I296 WeakPolarHBondContact O-CG1 3.17Å; L292-I296 PolarHBondContact O-N 3.43Å |
| 293 | Y | 90.6 | Very high | 90.6 | Very high | 30 Ų | 30 | 52.9 Ų | 52.9 | 12% | 0.118 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.8 | -46.3 | 176.6 | -174.6 | -116.1 | 0 | 0 | 0 | 111.8 | F282 G291 I296 L297 P414 | F282-Y293 AromaticContact CE1-CD2 3.74Å; F282-Y293 HydrophobicContact CE1-CD2 3.74Å; F282-Y293 HydrophobicContact CE1-CE2 4.15Å; F282-Y293 AromaticContact CE2-CD2 3.77Å; F282-Y293 HydrophobicContact CE2-CD2 3.77Å; F282-Y293 HydrophobicContact CE2-CG 4.13Å; F282-Y293 AromaticContact CZ-CD2 3.32Å; F282-Y293 HydrophobicContact CZ-CD2 3.32Å; F282-Y293 HydrophobicContact CZ-CE2 4.13Å; F282-Y293 AromaticContact CZ-CG 3.83Å; F282-Y293 HydrophobicContact CZ-CG 3.83Å; G291-Y293 VanDerWaalsContact C-N 3.29Å; G291-Y293 PolarHBondContact O-N 3.42Å; Y293-I296 PolarHBondContact O-N 3.24Å; Y293-L297 HydrophobicContact CD1-CD1 4.02Å; Y293-L297 HydrophobicContact CE1-CD1 3.47Å; Y293-L297 VanDerWaalsContact CE1-CD1 3.47Å; Y293-L297 HydrophobicContact CE1-CG 4.2Å; Y293-L297 HydrophobicContact CE2-CD1 4.41Å; Y293-L297 HydrophobicContact CE2-CD2 4.43Å; Y293-L297 HydrophobicContact CE2-CG 4.36Å; Y293-L297 WeakPolarHBondContact O-CG 3.32Å; Y293-L297 PolarHBondContact O-N 2.74Å; Y293-P414 HydrophobicContact CD1-CG 4.23Å; Y293-P414 HydrophobicContact CE1-CG 4.16Å |
| 294 | H | 91.3 | Very high | 90.7 | Very high | 83 Ų | 83 | 48.9 Ų | 48.9 | 38% | 0.384 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 179.3 | -176.4 | 72 | 0 | 0 | 0 | 111.5 | G291 L292 I296 L297 L298 W439 | G291-H294 PolarHBondContact O-N 2.97Å; G291-H294 VanDerWaalsContact O-N 3.1Å; L292-H294 PolarHBondContact O-N 3.34Å; H294-I296 VanDerWaalsContact C-N 3.32Å; H294-I296 PolarHBondContact O-N 3.28Å; H294-L297 PolarHBondContact O-N 3.43Å; H294-L298 WeakPolarHBondContact NE2-CD1 3.46Å; H294-L298 WeakPolarHBondContact O-CG 3.4Å; H294-L298 PolarHBondContact O-N 3.09Å; H294-W439 AromaticContact CE1-CE3 3.98Å |
| 295 | Q | 93.3 | Very high | 90.7 | Very high | 97 Ų | 97 | 48.8 Ų | 48.8 | 45% | 0.453 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.3 | -41.8 | 174.9 | -173.4 | 177.4 | 6.1 | 0 | 0 | 112.1 | G291 L292 S299 | G291-Q295 PolarHBondContact O-N 2.59Å; L292-Q295 PolarHBondContact O-N 2.98Å; Q295-S299 PolarHBondContact O-N 3.41Å; Q295-S299 PolarHBondContact O-OG 2.99Å |
| 296 | I | 95.1 | Very high | 90.9 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.5 | -50.3 | 175.6 | -66.5 | 164.2 | 0 | 0 | 0 | 110.5 | V246 M250 L278 L292 Y293 H294 L298 S299 L300 L324 | V246-I296 HydrophobicContact CG1-CD1 4.04Å; V246-I296 HydrophobicContact CG1-CG1 4.01Å; M250-I296 HydrophobicContact CE-CG2 4.21Å; M250-I296 HydrophobicContact SD-CG2 4.26Å; L278-I296 HydrophobicContact CD1-CD1 4.06Å; L278-I296 HydrophobicContact CD2-CG2 4.06Å; L292-I296 HydrophobicContact CD1-CD1 4.21Å; L292-I296 HydrophobicContact CD1-CG1 4.47Å; L292-I296 HydrophobicContact CG-CD1 3.9Å; L292-I296 VanDerWaalsContact O-CG1 3.28Å; L292-I296 WeakPolarHBondContact O-CG1 3.17Å; L292-I296 PolarHBondContact O-N 3.43Å; Y293-I296 PolarHBondContact O-N 3.24Å; H294-I296 VanDerWaalsContact C-N 3.32Å; H294-I296 PolarHBondContact O-N 3.28Å; I296-L298 PolarHBondContact O-N 3.19Å; I296-S299 WeakPolarHBondContact O-CB 3.4Å; I296-S299 PolarHBondContact O-N 3.23Å; I296-S299 VanDerWaalsContact O-N 3.12Å; I296-L300 HydrophobicContact CG2-CD1 3.81Å; I296-L300 HydrophobicContact CG2-CG 4.34Å; I296-L300 WeakPolarHBondContact O-CG 3.5Å; I296-L300 PolarHBondContact O-N 3.12Å; I296-L324 HydrophobicContact CG2-CD1 3.66Å |
| 297 | L | 94.6 | Very high | 91 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.3 | -46.7 | -179.8 | -72.4 | -173.4 | 0 | 0 | 0 | 112.6 | Y293 H294 S299 L300 Q301 L321 L324 A328 V332 | Y293-L297 HydrophobicContact CD1-CD1 4.02Å; Y293-L297 HydrophobicContact CE1-CD1 3.47Å; Y293-L297 VanDerWaalsContact CE1-CD1 3.47Å; Y293-L297 HydrophobicContact CE1-CG 4.2Å; Y293-L297 HydrophobicContact CE2-CD1 4.41Å; Y293-L297 HydrophobicContact CE2-CD2 4.43Å; Y293-L297 HydrophobicContact CE2-CG 4.36Å; Y293-L297 WeakPolarHBondContact O-CG 3.32Å; Y293-L297 PolarHBondContact O-N 2.74Å; H294-L297 PolarHBondContact O-N 3.43Å; L297-S299 VanDerWaalsContact C-N 3.27Å; L297-S299 PolarHBondContact O-N 2.91Å; L297-L300 PolarHBondContact O-N 3.32Å; L297-Q301 WeakPolarHBondContact O-CB 3.25Å; L297-Q301 PolarHBondContact O-N 2.88Å; L297-L321 HydrophobicContact CD2-CD2 3.71Å; L297-L324 HydrophobicContact CD2-CD1 4.25Å; L297-A328 HydrophobicContact CD2-CB 3.71Å; L297-V332 HydrophobicContact CB-CG2 4.26Å; L297-V332 HydrophobicContact CD1-CG2 4.35Å; L297-V332 HydrophobicContact CD2-CG2 4.03Å; L297-V332 HydrophobicContact CG-CG2 4.44Å |
| 298 | L | 94.9 | Very high | 91.4 | Very high | 80 Ų | 80 | 52.1 Ų | 52.1 | 42% | 0.419 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.8 | -37.3 | 176.5 | -72.8 | 179.1 | 0 | 0 | 0 | 112.3 | H294 I296 K302 | H294-L298 WeakPolarHBondContact NE2-CD1 3.46Å; H294-L298 WeakPolarHBondContact O-CG 3.4Å; H294-L298 PolarHBondContact O-N 3.09Å; I296-L298 PolarHBondContact O-N 3.19Å; L298-K302 VanDerWaalsContact O-CB 3.3Å; L298-K302 WeakPolarHBondContact O-CB 3.3Å; L298-K302 PolarHBondContact O-N 3.21Å |
| 299 | S | 95.3 | Very high | 91.8 | Very high | 49 Ų | 49 | 52 Ų | 52 | 34% | 0.343 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.5 | -40.2 | 178.1 | -57.2 | 0 | 0 | 0 | 0 | 112 | Q295 I296 L297 | Q295-S299 PolarHBondContact O-N 3.41Å; Q295-S299 PolarHBondContact O-OG 2.99Å; I296-S299 WeakPolarHBondContact O-CB 3.4Å; I296-S299 PolarHBondContact O-N 3.23Å; I296-S299 VanDerWaalsContact O-N 3.12Å; L297-S299 VanDerWaalsContact C-N 3.27Å; L297-S299 PolarHBondContact O-N 2.91Å |
| 300 | L | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.2 | -45.1 | 175.9 | -60.9 | 167.8 | 0 | 0 | 0 | 110.9 | M250 L254 I296 L297 K302 V303 L304 L321 L324 | M250-L300 HydrophobicContact CE-CD2 4.02Å; M250-L300 HydrophobicContact CE-CG 4.15Å; M250-L300 HydrophobicContact SD-CD2 4.4Å; L254-L300 HydrophobicContact CD1-CD2 4.31Å; L254-L300 HydrophobicContact CD2-CD2 4.07Å; L254-L300 HydrophobicContact CG-CD2 4.45Å; I296-L300 HydrophobicContact CG2-CD1 3.81Å; I296-L300 HydrophobicContact CG2-CG 4.34Å; I296-L300 WeakPolarHBondContact O-CG 3.5Å; I296-L300 PolarHBondContact O-N 3.12Å; L297-L300 PolarHBondContact O-N 3.32Å; L300-K302 PolarHBondContact O-N 3.25Å; L300-V303 PolarHBondContact O-N 3.31Å; L300-L304 PolarHBondContact O-N 2.76Å; L300-L321 HydrophobicContact CB-CD2 4.02Å; L300-L321 HydrophobicContact CB-CG 4.08Å; L300-L321 HydrophobicContact CD1-CD2 3.62Å; L300-L321 HydrophobicContact CD1-CG 3.91Å; L300-L321 HydrophobicContact CG-CD2 4.46Å; L300-L324 HydrophobicContact CD1-CD1 3.55Å |
| 301 | Q | 95.1 | Very high | 92.7 | Very high | 51 Ų | 51 | 50.1 Ų | 50.1 | 24% | 0.238 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.2 | -48.6 | 176.7 | -175.1 | -178.5 | -3.6 | 0 | 0 | 111.6 | L297 V303 L304 S305 V332 H336 | L297-Q301 WeakPolarHBondContact O-CB 3.25Å; L297-Q301 PolarHBondContact O-N 2.88Å; Q301-V303 PolarHBondContact O-N 3.28Å; Q301-V303 VanDerWaalsContact O-N 3.15Å; Q301-L304 WeakPolarHBondContact O-CA 3.36Å; Q301-L304 PolarHBondContact O-N 3.48Å; Q301-S305 PolarHBondContact O-N 3.46Å; Q301-S305 PolarHBondContact O-OG 3.49Å; Q301-V332 HydrophobicContact CB-CG1 3.63Å; Q301-V332 HydrophobicContact CG-CG1 4Å; Q301-H336 PolarHBondContact NE2-CE1 3.44Å; Q301-H336 PolarHBondContact NE2-NE2 2.95Å |
| 302 | K | 95 | Very high | 93 | Very high | 142 Ų | 142 | 49.3 Ų | 49.3 | 62% | 0.617 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -57 | -32 | -178.8 | -178 | 172.4 | -179.6 | 176 | 0 | 113.1 | L298 L300 D306 | L298-K302 VanDerWaalsContact O-CB 3.3Å; L298-K302 WeakPolarHBondContact O-CB 3.3Å; L298-K302 PolarHBondContact O-N 3.21Å; L300-K302 PolarHBondContact O-N 3.25Å; K302-D306 WeakPolarHBondContact O-CB 3.37Å |
| 303 | V | 94.7 | Very high | 93.2 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.024 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -78 | -31 | 176.2 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | L254 L300 Q301 R309 H314 A317 | L254-V303 HydrophobicContact CD1-CG2 4.11Å; L254-V303 HydrophobicContact CD2-CB 4.24Å; L254-V303 HydrophobicContact CD2-CG1 4.28Å; L254-V303 HydrophobicContact CD2-CG2 4.08Å; L254-V303 HydrophobicContact CG-CG2 4.48Å; L300-V303 PolarHBondContact O-N 3.31Å; Q301-V303 PolarHBondContact O-N 3.28Å; Q301-V303 VanDerWaalsContact O-N 3.15Å; V303-R309 HydrophobicContact CG1-CG 4.32Å; V303-H314 PolarHBondContact O-CE1 3.49Å; V303-H314 PolarHBondContact O-ND1 3.19Å; V303-A317 HydrophobicContact CB-CB 4.19Å; V303-A317 HydrophobicContact CG1-CB 4.08Å |
| 304 | L | 92.3 | Very high | 93.5 | Very high | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.3 | -32 | 173.2 | -63.5 | 175.9 | 0 | 0 | 0 | 112.8 | L300 Q301 D306 A317 V318 L321 V332 L333 | L300-L304 PolarHBondContact O-N 2.76Å; Q301-L304 WeakPolarHBondContact O-CA 3.36Å; Q301-L304 PolarHBondContact O-N 3.48Å; L304-D306 VanDerWaalsContact C-N 3.3Å; L304-D306 PolarHBondContact O-N 2.9Å; L304-A317 HydrophobicContact CD2-CB 3.9Å; L304-A317 HydrophobicContact CG-CB 4.01Å; L304-V318 HydrophobicContact CD2-CG2 3.98Å; L304-L321 HydrophobicContact CD1-CD1 3.66Å; L304-V332 HydrophobicContact CD1-CG1 4.34Å; L304-L333 HydrophobicContact CD1-CD1 3.77Å; L304-L333 HydrophobicContact CD2-CD1 4.44Å |
| 305 | S | 92 | Very high | 93.8 | Very high | 69 Ų | 69 | 45.1 Ų | 45.1 | 48% | 0.483 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -7.7 | 177.7 | -55.9 | 0 | 0 | 0 | 0 | 115.1 | Q301 P307 | Q301-S305 PolarHBondContact O-N 3.46Å; Q301-S305 PolarHBondContact O-OG 3.49Å; S305-P307 VanDerWaalsContact O-CD 3.31Å; S305-P307 WeakPolarHBondContact O-CD 3.22Å |
| 306 | D | 92.3 | Very high | 93.9 | Very high | 50 Ų | 50 | 40.5 Ų | 40.5 | 27% | 0.267 | 22% | 0.223 | S | C | . | . | trans | -112.3 | 88.5 | -170.3 | 179.3 | 3.9 | 0 | 0 | 0 | 110.2 | K302 L304 V308 R309 H314 | K302-D306 WeakPolarHBondContact O-CB 3.37Å; L304-D306 VanDerWaalsContact C-N 3.3Å; L304-D306 PolarHBondContact O-N 2.9Å; D306-V308 PolarHBondContact O-N 2.91Å; D306-V308 VanDerWaalsContact O-N 3.09Å; D306-V308 PolarHBondContact OD1-N 3.44Å; D306-R309 HydrophobicContact CB-CG 3.8Å; D306-R309 VanDerWaalsContact CG-CG 3.47Å; D306-R309 WeakPolarHBondContact O-CB 3.26Å; D306-R309 WeakPolarHBondContact O-CG 3.45Å; D306-R309 PolarHBondContact O-N 3.3Å; D306-R309 VanDerWaalsContact O-N 3.11Å; D306-R309 VanDerWaalsContact OD2-CG 3.29Å; D306-R309 WeakPolarHBondContact OD2-CG 3.13Å; D306-R309 IonicContact OD2-CZ 3.94Å; D306-R309 IonicContact OD2-NE 2.85Å; D306-R309 PolarHBondContact OD2-NE 2.96Å; D306-H314 PolarHBondContact O-CE1 2.91Å; D306-H314 VanDerWaalsContact O-CE1 3.24Å | ||
| 307 | P | 87.9 | Confident | 94 | Very high | 83 Ų | 83 | 40.3 Ų | 40.3 | 54% | 0.539 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -0.2 | -172.6 | 32 | -37.9 | 0 | 0 | 0 | 114.1 | S305 | S305-P307 VanDerWaalsContact O-CD 3.31Å; S305-P307 WeakPolarHBondContact O-CD 3.22Å |
| 308 | V | 91.2 | Very high | 94.1 | Very high | 132 Ų | 132 | 40.2 Ų | 40.2 | 80% | 0.8 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -8.5 | 174.1 | -169.2 | 0 | 0 | 0 | 0 | 110.9 | D306 | D306-V308 PolarHBondContact O-N 2.91Å; D306-V308 VanDerWaalsContact O-N 3.09Å; D306-V308 PolarHBondContact OD1-N 3.44Å |
| 309 | R | 92.3 | Very high | 94.3 | Very high | 64 Ų | 64 | 37.3 Ų | 37.3 | 24% | 0.242 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -67.8 | 147.1 | 174.2 | -69.4 | -81.2 | 177.6 | 155.4 | -7.4 | 111.4 | E255 V303 D306 H314 | E255-R309 IonicContact OE1-CZ 3.76Å; E255-R309 IonicContact OE1-NH1 2.87Å; E255-R309 PolarHBondContact OE1-NH1 2.95Å; V303-R309 HydrophobicContact CG1-CG 4.32Å; D306-R309 HydrophobicContact CB-CG 3.8Å; D306-R309 VanDerWaalsContact CG-CG 3.47Å; D306-R309 WeakPolarHBondContact O-CB 3.26Å; D306-R309 WeakPolarHBondContact O-CG 3.45Å; D306-R309 PolarHBondContact O-N 3.3Å; D306-R309 VanDerWaalsContact O-N 3.11Å; D306-R309 VanDerWaalsContact OD2-CG 3.29Å; D306-R309 WeakPolarHBondContact OD2-CG 3.13Å; D306-R309 IonicContact OD2-CZ 3.94Å; D306-R309 IonicContact OD2-NE 2.85Å; D306-R309 PolarHBondContact OD2-NE 2.96Å; R309-H314 PolarHBondContact O-NE2 2.91Å |
| 310 | P | 92.9 | Very high | 94.4 | Very high | 55 Ų | 55 | 35 Ų | 35 | 36% | 0.357 | 19% | 0.191 | S | C | . | . | trans | -70 | 151.1 | 172.2 | 27.6 | -30.7 | 0 | 0 | 0 | 111.2 | P256 C312 S313 H314 | P256-P310 HydrophobicContact CB-CG 3.94Å; P256-P310 HydrophobicContact CG-CG 4.49Å; P310-C312 PolarHBondContact O-N 3.34Å; P310-C312 VanDerWaalsContact O-N 3.13Å; P310-S313 VanDerWaalsContact O-CB 3.28Å; P310-S313 WeakPolarHBondContact O-CB 3.36Å; P310-S313 PolarHBondContact O-N 3.24Å; P310-H314 PolarHBondContact O-N 3.37Å | ||
| 311 | L | 93.3 | Very high | 94.4 | Very high | 22 Ų | 22 | 35 Ų | 35 | 12% | 0.115 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.8 | -28.2 | -174.8 | -66.7 | 165.9 | 0 | 0 | 0 | 113.5 | S313 H314 Y315 V347 V358 D361 V365 | L311-S313 VanDerWaalsContact C-N 3.31Å; L311-S313 PolarHBondContact O-N 2.99Å; L311-H314 PolarHBondContact O-N 3.37Å; L311-Y315 WeakPolarHBondContact O-CB 3.47Å; L311-Y315 PolarHBondContact O-N 3.48Å; L311-V347 HydrophobicContact CD1-CG1 4.09Å; L311-V358 HydrophobicContact CD1-CG1 3.65Å; L311-V358 VanDerWaalsContact CD1-O 3.27Å; L311-V358 WeakPolarHBondContact CD1-O 3.33Å; L311-D361 HydrophobicContact CB-CB 3.97Å; L311-D361 HydrophobicContact CD1-CB 4.02Å; L311-V365 HydrophobicContact CB-CG2 4.06Å; L311-V365 HydrophobicContact CD2-CG2 4.28Å; L311-V365 VanDerWaalsContact O-CG2 3.3Å; L311-V365 WeakPolarHBondContact O-CG2 3.43Å |
| 312 | C | 93.4 | Very high | 94.5 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.4 | -30.5 | 173.3 | 66.8 | 0 | 0 | 0 | 0 | 113.3 | H267 W268 R271 P310 G316 | H267-C312 WeakPolarHBondContact NE2-CB 3.41Å; W268-C312 HydrophobicContact CH2-CB 4.12Å; W268-C312 HydrophobicContact CZ3-CB 4.29Å; R271-C312 VanDerWaalsContact CD-O 3.29Å; R271-C312 WeakPolarHBondContact CD-O 3.41Å; R271-C312 PolarHBondContact NE-O 2.87Å; R271-C312 PolarHBondContact NH2-SG 3.17Å; R271-C312 VanDerWaalsContact NH2-SG 3.41Å; P310-C312 PolarHBondContact O-N 3.34Å; P310-C312 VanDerWaalsContact O-N 3.13Å; C312-G316 PolarHBondContact O-N 3.34Å |
| 313 | S | 95.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.2 | -43.9 | 170.9 | -67.7 | 0 | 0 | 0 | 0 | 111.8 | L254 P310 L311 G316 A317 | L254-S313 WeakPolarHBondContact O-CA 3.42Å; L254-S313 WeakPolarHBondContact O-CB 3.34Å; L254-S313 PolarHBondContact O-OG 2.81Å; P310-S313 VanDerWaalsContact O-CB 3.28Å; P310-S313 WeakPolarHBondContact O-CB 3.36Å; P310-S313 PolarHBondContact O-N 3.24Å; L311-S313 VanDerWaalsContact C-N 3.31Å; L311-S313 PolarHBondContact O-N 2.99Å; S313-G316 PolarHBondContact O-N 3.19Å; S313-A317 PolarHBondContact O-N 3.44Å |
| 314 | H | 95.9 | Very high | 94.4 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.019 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.4 | -43 | 176.4 | -66.5 | -67.3 | 0 | 0 | 0 | 112.1 | V303 D306 R309 P310 L311 G316 A317 V318 Y340 V365 | V303-H314 PolarHBondContact O-CE1 3.49Å; V303-H314 PolarHBondContact O-ND1 3.19Å; D306-H314 PolarHBondContact O-CE1 2.91Å; D306-H314 VanDerWaalsContact O-CE1 3.24Å; R309-H314 PolarHBondContact O-NE2 2.91Å; P310-H314 PolarHBondContact O-N 3.37Å; L311-H314 PolarHBondContact O-N 3.37Å; H314-G316 VanDerWaalsContact C-N 3.35Å; H314-G316 PolarHBondContact O-N 3.07Å; H314-A317 WeakPolarHBondContact O-CB 3.3Å; H314-A317 PolarHBondContact O-N 2.95Å; H314-A317 VanDerWaalsContact O-N 3.16Å; H314-V318 WeakPolarHBondContact O-CG2 3.48Å; H314-V318 PolarHBondContact O-N 3.34Å; H314-Y340 VanDerWaalsContact CB-OH 3.26Å; H314-Y340 WeakPolarHBondContact CB-OH 3.4Å; H314-Y340 PolarHBondContact CD2-OH 3.4Å; H314-Y340 AromaticContact CE1-CE2 3.64Å; H314-Y340 AromaticContact CG-CE2 3.89Å; H314-Y340 AromaticContact CG-CZ 3.9Å; H314-Y340 VanDerWaalsContact CG-OH 3.24Å; H314-Y340 AromaticContact ND1-CE2 3.53Å; H314-Y340 AromaticContact ND1-CZ 3.99Å; H314-V365 HydrophobicContact CB-CG2 4.44Å |
| 315 | Y | 96.9 | Very high | 94.4 | Very high | 23 Ų | 23 | 29.8 Ų | 29.8 | 9% | 0.09 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.2 | -50.7 | 172.6 | 178.9 | -88.1 | 0 | 0 | 0 | 111.3 | W268 R271 D272 L311 A317 V318 V319 K364 A368 | W268-Y315 AromaticContact CE3-CD1 3.67Å; W268-Y315 HydrophobicContact CE3-CD1 3.67Å; W268-Y315 AromaticContact CE3-CD2 3.82Å; W268-Y315 HydrophobicContact CE3-CD2 3.82Å; W268-Y315 AromaticContact CE3-CE1 3.93Å; W268-Y315 HydrophobicContact CE3-CE1 3.93Å; W268-Y315 HydrophobicContact CE3-CE2 4.05Å; W268-Y315 AromaticContact CE3-CG 3.63Å; W268-Y315 HydrophobicContact CE3-CG 3.63Å; W268-Y315 HydrophobicContact CZ3-CD1 4.07Å; W268-Y315 AromaticContact CZ3-CD2 3.85Å; W268-Y315 HydrophobicContact CZ3-CD2 3.85Å; W268-Y315 HydrophobicContact CZ3-CE2 4.5Å; W268-Y315 AromaticContact CZ3-CG 3.6Å; W268-Y315 HydrophobicContact CZ3-CG 3.6Å; R271-Y315 HydrophobicContact CB-CD1 4.37Å; R271-Y315 HydrophobicContact CB-CE1 4.37Å; D272-Y315 VanDerWaalsContact OD1-CE1 3.26Å; D272-Y315 WeakPolarHBondContact OD1-CE1 3.48Å; D272-Y315 PolarHBondContact OD1-OH 2.81Å; D272-Y315 PolarHBondContact OD2-OH 2.96Å; L311-Y315 WeakPolarHBondContact O-CB 3.47Å; L311-Y315 PolarHBondContact O-N 3.48Å; Y315-A317 VanDerWaalsContact C-N 3.3Å; Y315-A317 PolarHBondContact O-N 2.84Å; Y315-V318 PolarHBondContact O-N 2.99Å; Y315-V318 VanDerWaalsContact O-N 3.17Å; Y315-V319 HydrophobicContact CD1-CG2 4.06Å; Y315-V319 HydrophobicContact CE1-CG2 3.69Å; Y315-V319 HydrophobicContact CE2-CG2 4.22Å; Y315-V319 HydrophobicContact CG-CG2 4.46Å; Y315-V319 WeakPolarHBondContact O-CG2 3.38Å; Y315-V319 PolarHBondContact O-N 3.43Å; Y315-K364 HydrophobicContact CD2-CB 4.07Å; Y315-K364 HydrophobicContact CE2-CB 4.23Å; Y315-A368 HydrophobicContact CD2-CB 3.88Å; Y315-A368 HydrophobicContact CE2-CB 3.81Å |
| 316 | G | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.2 | -40.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I253 C312 S313 H314 G320 | I253-G316 WeakPolarHBondContact CG2-O 3.47Å; I253-G316 WeakPolarHBondContact O-CA 3.31Å; C312-G316 PolarHBondContact O-N 3.34Å; S313-G316 PolarHBondContact O-N 3.19Å; H314-G316 VanDerWaalsContact C-N 3.35Å; H314-G316 PolarHBondContact O-N 3.07Å; G316-G320 PolarHBondContact O-N 3.17Å |
| 317 | A | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.9 | -44.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L254 V303 L304 S313 H314 Y315 L321 | L254-A317 HydrophobicContact CD2-CB 3.76Å; V303-A317 HydrophobicContact CB-CB 4.19Å; V303-A317 HydrophobicContact CG1-CB 4.08Å; L304-A317 HydrophobicContact CD2-CB 3.9Å; L304-A317 HydrophobicContact CG-CB 4.01Å; S313-A317 PolarHBondContact O-N 3.44Å; H314-A317 WeakPolarHBondContact O-CB 3.3Å; H314-A317 PolarHBondContact O-N 2.95Å; H314-A317 VanDerWaalsContact O-N 3.16Å; Y315-A317 VanDerWaalsContact C-N 3.3Å; Y315-A317 PolarHBondContact O-N 2.84Å; A317-L321 WeakPolarHBondContact O-CG 3.45Å; A317-L321 PolarHBondContact O-N 3.01Å |
| 318 | V | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.5 | -48.6 | 177.6 | 175 | 0 | 0 | 0 | 0 | 111.6 | L304 H314 Y315 G320 L321 H322 L333 A368 I369 A372 | L304-V318 HydrophobicContact CD2-CG2 3.98Å; H314-V318 WeakPolarHBondContact O-CG2 3.48Å; H314-V318 PolarHBondContact O-N 3.34Å; Y315-V318 PolarHBondContact O-N 2.99Å; Y315-V318 VanDerWaalsContact O-N 3.17Å; V318-G320 VanDerWaalsContact C-N 3.33Å; V318-G320 PolarHBondContact O-N 2.98Å; V318-L321 PolarHBondContact O-N 3.21Å; V318-H322 PolarHBondContact O-N 3.35Å; V318-L333 HydrophobicContact CG1-CD2 4.2Å; V318-L333 HydrophobicContact CG2-CD1 4.1Å; V318-A368 HydrophobicContact CB-CB 4.42Å; V318-A368 HydrophobicContact CG1-CB 3.86Å; V318-I369 HydrophobicContact CB-CG1 4.38Å; V318-I369 HydrophobicContact CG1-CB 4.45Å; V318-I369 HydrophobicContact CG1-CG1 3.79Å; V318-I369 HydrophobicContact CG2-CD1 4.27Å; V318-I369 HydrophobicContact CG2-CG1 3.68Å; V318-A372 HydrophobicContact CG1-CB 4.28Å |
| 319 | V | 97.3 | Very high | 94.8 | Very high | 20 Ų | 20 | 18 Ų | 18 | 12% | 0.121 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -68.2 | -34.8 | 180 | -177.2 | 0 | 0 | 0 | 0 | 111.1 | A275 Y315 H322 A323 A368 | A275-V319 HydrophobicContact CB-CB 4.43Å; A275-V319 HydrophobicContact CB-CG1 3.79Å; Y315-V319 HydrophobicContact CD1-CG2 4.06Å; Y315-V319 HydrophobicContact CE1-CG2 3.69Å; Y315-V319 HydrophobicContact CE2-CG2 4.22Å; Y315-V319 HydrophobicContact CG-CG2 4.46Å; Y315-V319 WeakPolarHBondContact O-CG2 3.38Å; Y315-V319 PolarHBondContact O-N 3.43Å; V319-H322 PolarHBondContact O-N 3.01Å; V319-A323 WeakPolarHBondContact O-CB 3.04Å; V319-A323 PolarHBondContact O-N 2.88Å; V319-A368 HydrophobicContact CG2-CB 3.95Å |
| 320 | G | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.4 | -48.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G316 V318 A323 L324 | G316-G320 PolarHBondContact O-N 3.17Å; V318-G320 VanDerWaalsContact C-N 3.33Å; V318-G320 PolarHBondContact O-N 2.98Å; G320-A323 PolarHBondContact O-N 3Å; G320-L324 WeakPolarHBondContact O-CG 3.3Å; G320-L324 PolarHBondContact O-N 2.98Å; G320-L324 VanDerWaalsContact O-N 3.08Å |
| 321 | L | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63 | -41.6 | 174.7 | -70.1 | 171.7 | 0 | 0 | 0 | 112.1 | L297 L300 L304 A317 V318 L324 G325 A328 V329 V332 L333 | L297-L321 HydrophobicContact CD2-CD2 3.71Å; L300-L321 HydrophobicContact CB-CD2 4.02Å; L300-L321 HydrophobicContact CB-CG 4.08Å; L300-L321 HydrophobicContact CD1-CD2 3.62Å; L300-L321 HydrophobicContact CD1-CG 3.91Å; L300-L321 HydrophobicContact CG-CD2 4.46Å; L304-L321 HydrophobicContact CD1-CD1 3.66Å; A317-L321 WeakPolarHBondContact O-CG 3.45Å; A317-L321 PolarHBondContact O-N 3.01Å; V318-L321 PolarHBondContact O-N 3.21Å; L321-L324 PolarHBondContact O-N 2.86Å; L321-G325 PolarHBondContact O-N 3.1Å; L321-G325 VanDerWaalsContact O-N 3.16Å; L321-A328 HydrophobicContact CD2-CB 4.03Å; L321-V329 HydrophobicContact CB-CG2 4.29Å; L321-V332 HydrophobicContact CD1-CB 3.93Å; L321-V332 HydrophobicContact CD1-CG1 3.73Å; L321-V332 HydrophobicContact CD2-CB 3.83Å; L321-V332 HydrophobicContact CD2-CG1 4.07Å; L321-V332 HydrophobicContact CD2-CG2 4.13Å; L321-L333 HydrophobicContact CD1-CB 4.04Å |
| 322 | H | 96.3 | Very high | 94.8 | Very high | 63 Ų | 63 | 16.6 Ų | 16.6 | 29% | 0.292 | 8% | 0.079 | S | C | . | . | H | α-helix | trans | -59.7 | -46.3 | 176.1 | 179.4 | 83.1 | 0 | 0 | 0 | 112.1 | V318 V319 G325 A372 | V318-H322 PolarHBondContact O-N 3.35Å; V319-H322 PolarHBondContact O-N 3.01Å; H322-G325 WeakPolarHBondContact O-CA 3.45Å; H322-G325 PolarHBondContact O-N 3.16Å; H322-A372 HydrophobicContact CB-CB 4.22Å; H322-A372 WeakPolarHBondContact ND1-CA 3.45Å |
| 323 | A | 95.6 | Very high | 94.8 | Very high | 16 Ų | 16 | 16.3 Ų | 16.3 | 13% | 0.132 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -67.8 | -36.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A275 S279 V319 G320 G325 | A275-A323 HydrophobicContact CB-CB 4.06Å; A275-A323 WeakPolarHBondContact O-CB 3.4Å; S279-A323 VanDerWaalsContact CB-O 3.23Å; S279-A323 WeakPolarHBondContact CB-O 3.36Å; S279-A323 PolarHBondContact OG-O 3.44Å; V319-A323 WeakPolarHBondContact O-CB 3.04Å; V319-A323 PolarHBondContact O-N 2.88Å; G320-A323 PolarHBondContact O-N 3Å; A323-G325 VanDerWaalsContact C-N 3.31Å |
| 324 | L | 93.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 16.8 Ų | 16.8 | 2% | 0.021 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.4 | -36.4 | 172.7 | -70.3 | 167.1 | 0 | 0 | 0 | 111.9 | F282 I296 L297 L300 G320 L321 A328 | F282-L324 HydrophobicContact CB-CD2 4.28Å; F282-L324 HydrophobicContact CD1-CD2 4.07Å; F282-L324 HydrophobicContact CG-CD2 4.21Å; I296-L324 HydrophobicContact CG2-CD1 3.66Å; L297-L324 HydrophobicContact CD2-CD1 4.25Å; L300-L324 HydrophobicContact CD1-CD1 3.55Å; G320-L324 WeakPolarHBondContact O-CG 3.3Å; G320-L324 PolarHBondContact O-N 2.98Å; G320-L324 VanDerWaalsContact O-N 3.08Å; L321-L324 PolarHBondContact O-N 2.86Å; L324-A328 HydrophobicContact CB-CB 3.97Å |
| 325 | G | 92.1 | Very high | 94.5 | Very high | 12 Ų | 12 | 19 Ų | 19 | 12% | 0.124 | 9% | 0.094 | C | C | . | . | trans | 131.1 | 172.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L321 H322 A323 K327 A328 V329 | L321-G325 PolarHBondContact O-N 3.1Å; L321-G325 VanDerWaalsContact O-N 3.16Å; H322-G325 WeakPolarHBondContact O-CA 3.45Å; H322-G325 PolarHBondContact O-N 3.16Å; A323-G325 VanDerWaalsContact C-N 3.31Å; G325-K327 VanDerWaalsContact C-N 3.26Å; G325-K327 PolarHBondContact O-N 3.15Å; G325-K327 VanDerWaalsContact O-N 3.09Å; G325-A328 WeakPolarHBondContact O-CB 3.39Å; G325-A328 PolarHBondContact O-N 3.43Å; G325-V329 PolarHBondContact O-N 3.42Å | ||
| 326 | W | 92 | Very high | 94.2 | Very high | 29 Ų | 29 | 20.3 Ų | 20.3 | 11% | 0.11 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -55.4 | -34.8 | -170.8 | 68.4 | -87.3 | 0 | 0 | 0 | 114.5 | A328 V329 E330 L376 M379 K380 | W326-A328 VanDerWaalsContact C-N 3.29Å; W326-A328 PolarHBondContact O-N 2.94Å; W326-V329 WeakPolarHBondContact O-CB 3.45Å; W326-V329 PolarHBondContact O-N 3.31Å; W326-E330 VanDerWaalsContact CZ3-OE2 3.29Å; W326-E330 WeakPolarHBondContact CZ3-OE2 3.38Å; W326-E330 VanDerWaalsContact O-CB 3.32Å; W326-E330 WeakPolarHBondContact O-CB 3.47Å; W326-E330 PolarHBondContact O-N 3.28Å; W326-L376 HydrophobicContact CB-CD1 4.37Å; W326-L376 HydrophobicContact CE3-CD1 3.92Å; W326-M379 HydrophobicContact CB-CB 3.9Å; W326-M379 HydrophobicContact CB-CG 4.26Å; W326-M379 HydrophobicContact CD2-CB 3.94Å; W326-M379 HydrophobicContact CG-CB 3.53Å; W326-M379 HydrophobicContact CG-CG 4.12Å; W326-K380 HydrophobicContact CE3-CB 4.43Å; W326-K380 HydrophobicContact CZ3-CB 4.15Å; W326-K380 HydrophobicContact CZ3-CG 4.27Å |
| 327 | K | 91.1 | Very high | 94 | Very high | 53 Ų | 53 | 20.3 Ų | 20.3 | 23% | 0.23 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.7 | -21.8 | 176.8 | -63.7 | -172.6 | 177.3 | -173.9 | 0 | 114.1 | G325 R331 S413 | G325-K327 VanDerWaalsContact C-N 3.26Å; G325-K327 PolarHBondContact O-N 3.15Å; G325-K327 VanDerWaalsContact O-N 3.09Å; K327-R331 WeakPolarHBondContact O-CB 3.45Å; K327-R331 WeakPolarHBondContact O-CD 3.44Å; K327-R331 VanDerWaalsContact O-CG 3.24Å; K327-R331 WeakPolarHBondContact O-CG 3.44Å; K327-R331 PolarHBondContact O-N 3.48Å; K327-S413 PolarHBondContact NZ-OG 3.45Å |
| 328 | A | 93.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -77.6 | -45.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | L297 L321 L324 G325 W326 E330 R331 V332 | L297-A328 HydrophobicContact CD2-CB 3.71Å; L321-A328 HydrophobicContact CD2-CB 4.03Å; L324-A328 HydrophobicContact CB-CB 3.97Å; G325-A328 WeakPolarHBondContact O-CB 3.39Å; G325-A328 PolarHBondContact O-N 3.43Å; W326-A328 VanDerWaalsContact C-N 3.29Å; W326-A328 PolarHBondContact O-N 2.94Å; A328-E330 VanDerWaalsContact C-N 3.31Å; A328-E330 PolarHBondContact O-N 3.23Å; A328-R331 PolarHBondContact O-N 3.45Å; A328-V332 WeakPolarHBondContact O-CB 3.33Å; A328-V332 PolarHBondContact O-N 2.98Å |
| 329 | V | 94.9 | Very high | 93.3 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -57.5 | -44.5 | 172.6 | -174.9 | 0 | 0 | 0 | 0 | 111.1 | L321 G325 W326 R331 L333 F334 A372 L376 | L321-V329 HydrophobicContact CB-CG2 4.29Å; G325-V329 PolarHBondContact O-N 3.42Å; W326-V329 WeakPolarHBondContact O-CB 3.45Å; W326-V329 PolarHBondContact O-N 3.31Å; V329-R331 PolarHBondContact O-N 3.21Å; V329-L333 HydrophobicContact CG1-CB 3.96Å; V329-L333 HydrophobicContact CG1-CD2 3.86Å; V329-L333 HydrophobicContact CG1-CG 4.47Å; V329-L333 WeakPolarHBondContact O-CA 3.48Å; V329-L333 WeakPolarHBondContact O-CB 3.48Å; V329-L333 PolarHBondContact O-N 3.3Å; V329-F334 PolarHBondContact O-N 2.99Å; V329-A372 HydrophobicContact CG1-CB 4.05Å; V329-A372 HydrophobicContact CG2-CB 4.28Å; V329-L376 HydrophobicContact CG1-CB 4.3Å; V329-L376 HydrophobicContact CG1-CD2 4.19Å |
| 330 | E | 92.9 | Very high | 93.1 | Very high | 16 Ų | 16 | 26.2 Ų | 26.2 | 8% | 0.075 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -63.7 | -40.1 | -179.1 | -163.4 | -178 | -158.7 | 0 | 0 | 113.4 | W326 A328 P335 L376 K380 W442 M450 | W326-E330 VanDerWaalsContact CZ3-OE2 3.29Å; W326-E330 WeakPolarHBondContact CZ3-OE2 3.38Å; W326-E330 VanDerWaalsContact O-CB 3.32Å; W326-E330 WeakPolarHBondContact O-CB 3.47Å; W326-E330 PolarHBondContact O-N 3.28Å; A328-E330 VanDerWaalsContact C-N 3.31Å; A328-E330 PolarHBondContact O-N 3.23Å; E330-P335 WeakPolarHBondContact O-CD 3.47Å; E330-L376 HydrophobicContact CB-CD1 3.68Å; E330-L376 HydrophobicContact CB-CD2 4.41Å; E330-L376 HydrophobicContact CG-CD1 3.9Å; E330-K380 WeakPolarHBondContact OE1-CD 3.34Å; E330-K380 VanDerWaalsContact OE1-CE 3.23Å; E330-K380 WeakPolarHBondContact OE1-CE 3.47Å; E330-K380 IonicContact OE1-NZ 3.3Å; E330-K380 PolarHBondContact OE1-NZ 3.16Å; E330-W442 HydrophobicContact CG-CH2 3.49Å; E330-W442 VanDerWaalsContact CG-CH2 3.49Å; E330-W442 HydrophobicContact CG-CZ2 4.2Å; E330-W442 HydrophobicContact CG-CZ3 4.13Å; E330-M450 HydrophobicContact CG-CE 4.1Å |
| 331 | R | 91 | Very high | 92.9 | Very high | 94 Ų | 94 | 27.7 Ų | 27.7 | 36% | 0.355 | 15% | 0.151 | S | C | . | . | I | π-helix | trans | -86.4 | -30.3 | -176.7 | -69 | 171.3 | -179.3 | -178.7 | -2 | 113.7 | K327 A328 V329 W439 W442 | K327-R331 WeakPolarHBondContact O-CB 3.45Å; K327-R331 WeakPolarHBondContact O-CD 3.44Å; K327-R331 VanDerWaalsContact O-CG 3.24Å; K327-R331 WeakPolarHBondContact O-CG 3.44Å; K327-R331 PolarHBondContact O-N 3.48Å; A328-R331 PolarHBondContact O-N 3.45Å; V329-R331 PolarHBondContact O-N 3.21Å; R331-W439 HydrophobicContact CB-CH2 4.47Å; R331-W442 HydrophobicContact CG-CE3 4.29Å |
| 332 | V | 93.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -110.5 | -55.4 | -173.2 | -178.1 | 0 | 0 | 0 | 0 | 111.8 | L297 Q301 L304 L321 A328 H336 | L297-V332 HydrophobicContact CB-CG2 4.26Å; L297-V332 HydrophobicContact CD1-CG2 4.35Å; L297-V332 HydrophobicContact CD2-CG2 4.03Å; L297-V332 HydrophobicContact CG-CG2 4.44Å; Q301-V332 HydrophobicContact CB-CG1 3.63Å; Q301-V332 HydrophobicContact CG-CG1 4Å; L304-V332 HydrophobicContact CD1-CG1 4.34Å; L321-V332 HydrophobicContact CD1-CB 3.93Å; L321-V332 HydrophobicContact CD1-CG1 3.73Å; L321-V332 HydrophobicContact CD2-CB 3.83Å; L321-V332 HydrophobicContact CD2-CG1 4.07Å; L321-V332 HydrophobicContact CD2-CG2 4.13Å; A328-V332 WeakPolarHBondContact O-CB 3.33Å; A328-V332 PolarHBondContact O-N 2.98Å; V332-H336 PolarHBondContact O-ND1 3.03Å |
| 333 | L | 93.7 | Very high | 92.3 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -69.7 | -48.9 | -174.7 | -173.6 | 62.1 | 0 | 0 | 0 | 111.3 | L304 V318 L321 V329 H336 L337 I369 A372 | L304-L333 HydrophobicContact CD1-CD1 3.77Å; L304-L333 HydrophobicContact CD2-CD1 4.44Å; V318-L333 HydrophobicContact CG1-CD2 4.2Å; V318-L333 HydrophobicContact CG2-CD1 4.1Å; L321-L333 HydrophobicContact CD1-CB 4.04Å; V329-L333 HydrophobicContact CG1-CB 3.96Å; V329-L333 HydrophobicContact CG1-CD2 3.86Å; V329-L333 HydrophobicContact CG1-CG 4.47Å; V329-L333 WeakPolarHBondContact O-CA 3.48Å; V329-L333 WeakPolarHBondContact O-CB 3.48Å; V329-L333 PolarHBondContact O-N 3.3Å; L333-H336 PolarHBondContact O-N 3.47Å; L333-L337 WeakPolarHBondContact O-CB 3.29Å; L333-L337 PolarHBondContact O-N 2.95Å; L333-I369 HydrophobicContact CD2-CG2 4.2Å; L333-A372 HydrophobicContact CD2-CB 4.05Å |
| 334 | F | 93.1 | Very high | 92.2 | Very high | 10 Ų | 10 | 30.9 Ų | 30.9 | 4% | 0.044 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59 | -49.6 | -173.7 | 174.1 | -97.7 | 0 | 0 | 0 | 113.7 | V329 H336 L337 L376 W442 V445 M450 E453 L454 | V329-F334 PolarHBondContact O-N 2.99Å; F334-H336 VanDerWaalsContact C-N 3.28Å; F334-H336 PolarHBondContact O-N 3.36Å; F334-L337 WeakPolarHBondContact O-CB 3.45Å; F334-L337 PolarHBondContact O-N 3.41Å; F334-L376 HydrophobicContact CB-CD2 4.48Å; F334-W442 HydrophobicContact CD1-CZ2 4.44Å; F334-V445 HydrophobicContact CE1-CB 4.34Å; F334-V445 HydrophobicContact CE1-CG2 4.05Å; F334-V445 HydrophobicContact CZ-CG1 4.49Å; F334-M450 HydrophobicContact CD1-CE 3.61Å; F334-M450 HydrophobicContact CD2-CE 3.91Å; F334-M450 HydrophobicContact CD2-CG 4.27Å; F334-M450 HydrophobicContact CE1-CE 3.59Å; F334-M450 HydrophobicContact CE2-CB 4.34Å; F334-M450 HydrophobicContact CE2-CE 3.89Å; F334-M450 HydrophobicContact CE2-CG 3.76Å; F334-M450 HydrophobicContact CG-CE 3.78Å; F334-M450 HydrophobicContact CZ-CB 4.28Å; F334-M450 HydrophobicContact CZ-CE 3.73Å; F334-M450 HydrophobicContact CZ-CG 4.09Å; F334-E453 VanDerWaalsContact CZ-OE2 3.23Å; F334-E453 WeakPolarHBondContact CZ-OE2 3.34Å; F334-L454 HydrophobicContact CD2-CD1 4.17Å; F334-L454 HydrophobicContact CD2-CD2 4.12Å; F334-L454 HydrophobicContact CD2-CG 4.25Å; F334-L454 HydrophobicContact CE2-CD1 4.17Å; F334-L454 HydrophobicContact CE2-CD2 4.37Å; F334-L454 HydrophobicContact CE2-CG 4.09Å |
| 335 | P | 91.8 | Very high | 92.1 | Very high | 51 Ų | 51 | 34.5 Ų | 34.5 | 33% | 0.331 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -67.5 | -24.2 | -179.4 | -22.7 | 36.2 | 0 | 0 | 0 | 114.7 | E330 | E330-P335 WeakPolarHBondContact O-CD 3.47Å |
| 336 | H | 90.7 | Very high | 92.1 | Very high | 50 Ų | 50 | 37.2 Ų | 37.2 | 23% | 0.231 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -93.1 | -10.4 | 178.3 | -61.6 | 80.5 | 0 | 0 | 0 | 112.6 | Q301 V332 L333 F334 S338 A339 Y340 | Q301-H336 PolarHBondContact NE2-CE1 3.44Å; Q301-H336 PolarHBondContact NE2-NE2 2.95Å; V332-H336 PolarHBondContact O-ND1 3.03Å; L333-H336 PolarHBondContact O-N 3.47Å; F334-H336 VanDerWaalsContact C-N 3.28Å; F334-H336 PolarHBondContact O-N 3.36Å; H336-S338 PolarHBondContact O-N 3.42Å; H336-A339 PolarHBondContact O-N 3.36Å; H336-Y340 WeakPolarHBondContact O-CB 3.45Å; H336-Y340 PolarHBondContact O-N 3.28Å |
| 337 | L | 91.8 | Very high | 92 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.2 | -39 | -171.8 | -178.1 | 61.7 | 0 | 0 | 0 | 112.2 | L333 F334 A339 Y340 W341 I369 L454 F457 F458 | L333-L337 WeakPolarHBondContact O-CB 3.29Å; L333-L337 PolarHBondContact O-N 2.95Å; F334-L337 WeakPolarHBondContact O-CB 3.45Å; F334-L337 PolarHBondContact O-N 3.41Å; L337-A339 PolarHBondContact O-N 3.24Å; L337-Y340 PolarHBondContact O-N 3.31Å; L337-W341 WeakPolarHBondContact O-CA 3.49Å; L337-W341 WeakPolarHBondContact O-CB 3.43Å; L337-W341 PolarHBondContact O-N 2.93Å; L337-I369 HydrophobicContact CD1-CD1 4.42Å; L337-I369 HydrophobicContact CD1-CG2 3.93Å; L337-L454 HydrophobicContact CD2-CD2 3.49Å; L337-L454 VanDerWaalsContact CD2-CD2 3.49Å; L337-F457 HydrophobicContact CD2-CD2 3.84Å; L337-F457 HydrophobicContact CD2-CE2 4.15Å; L337-F457 HydrophobicContact CG-CD2 4.15Å; L337-F457 HydrophobicContact CG-CE2 4.22Å; L337-F458 HydrophobicContact CD1-CZ 4.41Å; L337-F458 HydrophobicContact CD2-CE2 3.92Å; L337-F458 HydrophobicContact CD2-CZ 4.15Å |
| 338 | S | 89.9 | Confident | 92.1 | Very high | 61 Ų | 61 | 36.1 Ų | 36.1 | 43% | 0.427 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 179.3 | 54.4 | 0 | 0 | 0 | 0 | 112.7 | H336 | H336-S338 PolarHBondContact O-N 3.42Å |
| 339 | A | 90.8 | Very high | 92 | Very high | 69 Ų | 69 | 40.1 Ų | 40.1 | 57% | 0.57 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -72.9 | -37.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | H336 L337 N343 | H336-A339 PolarHBondContact O-N 3.36Å; L337-A339 PolarHBondContact O-N 3.24Å; A339-N343 PolarHBondContact O-ND2 2.91Å |
| 340 | Y | 92.2 | Very high | 91.7 | Very high | 13 Ų | 13 | 42.4 Ų | 42.4 | 5% | 0.051 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.7 | -35.2 | 177.5 | -171.9 | -103.5 | 0 | 0 | 0 | 112.5 | H314 H336 L337 A342 N343 L344 V365 I369 | H314-Y340 VanDerWaalsContact CB-OH 3.26Å; H314-Y340 WeakPolarHBondContact CB-OH 3.4Å; H314-Y340 PolarHBondContact CD2-OH 3.4Å; H314-Y340 AromaticContact CE1-CE2 3.64Å; H314-Y340 AromaticContact CG-CE2 3.89Å; H314-Y340 AromaticContact CG-CZ 3.9Å; H314-Y340 VanDerWaalsContact CG-OH 3.24Å; H314-Y340 AromaticContact ND1-CE2 3.53Å; H314-Y340 AromaticContact ND1-CZ 3.99Å; H336-Y340 WeakPolarHBondContact O-CB 3.45Å; H336-Y340 PolarHBondContact O-N 3.28Å; L337-Y340 PolarHBondContact O-N 3.31Å; Y340-A342 PolarHBondContact O-N 3.19Å; Y340-N343 PolarHBondContact O-N 3.38Å; Y340-L344 HydrophobicContact CD1-CB 4.44Å; Y340-L344 HydrophobicContact CE1-CB 4.11Å; Y340-L344 HydrophobicContact CE1-CD2 4.17Å; Y340-L344 PolarHBondContact O-N 2.94Å; Y340-V365 HydrophobicContact CE1-CG1 4.01Å; Y340-I369 HydrophobicContact CD1-CD1 4.1Å; Y340-I369 HydrophobicContact CE1-CD1 3.9Å |
| 341 | W | 92.6 | Very high | 91.3 | Very high | 31 Ų | 31 | 50.6 Ų | 50.6 | 12% | 0.117 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.8 | -44.1 | -175.5 | 177.7 | -97.5 | 0 | 0 | 0 | 112.5 | L337 N343 L344 Q345 Y366 F457 F458 | L337-W341 WeakPolarHBondContact O-CA 3.49Å; L337-W341 WeakPolarHBondContact O-CB 3.43Å; L337-W341 PolarHBondContact O-N 2.93Å; W341-N343 VanDerWaalsContact C-N 3.27Å; W341-N343 PolarHBondContact O-N 2.89Å; W341-L344 HydrophobicContact CE3-CD2 4.45Å; W341-L344 HydrophobicContact CZ3-CD2 4.3Å; W341-L344 PolarHBondContact O-N 2.99Å; W341-Q345 HydrophobicContact CZ2-CB 4.27Å; W341-Q345 VanDerWaalsContact O-CB 3.3Å; W341-Q345 WeakPolarHBondContact O-CB 3.36Å; W341-Q345 PolarHBondContact O-N 2.66Å; W341-Y366 AromaticContact CH2-CD2 3.95Å; W341-Y366 HydrophobicContact CH2-CD2 3.95Å; W341-Y366 AromaticContact CH2-CE2 3.75Å; W341-Y366 HydrophobicContact CH2-CE2 3.75Å; W341-Y366 AromaticContact CZ3-CD2 3.84Å; W341-Y366 HydrophobicContact CZ3-CD2 3.84Å; W341-Y366 AromaticContact CZ3-CE2 3.94Å; W341-Y366 HydrophobicContact CZ3-CE2 3.94Å; W341-F457 HydrophobicContact CB-CD1 4.04Å; W341-F457 HydrophobicContact CB-CE1 4.24Å; W341-F457 AromaticContact CD1-CD1 3.55Å; W341-F457 HydrophobicContact CD2-CB 3.89Å; W341-F457 HydrophobicContact CD2-CD1 4.03Å; W341-F457 HydrophobicContact CD2-CG 4.21Å; W341-F457 HydrophobicContact CE3-CB 4.07Å; W341-F457 HydrophobicContact CG-CB 4.32Å; W341-F457 AromaticContact CG-CD1 3.54Å; W341-F457 HydrophobicContact CG-CD1 3.54Å; W341-F457 HydrophobicContact CG-CE1 4.15Å; W341-F457 HydrophobicContact CG-CG 4.11Å; W341-F457 WeakPolarHBondContact CH2-O 3.15Å; W341-F457 WeakPolarHBondContact CZ2-O 3.49Å; W341-F457 HydrophobicContact CZ3-CB 4.48Å; W341-F458 HydrophobicContact CE3-CE1 4.28Å; W341-F458 HydrophobicContact CE3-CZ 4.46Å; W341-F458 HydrophobicContact CZ3-CD1 4.22Å; W341-F458 AromaticContact CZ3-CE1 3.7Å; W341-F458 HydrophobicContact CZ3-CE1 3.7Å; W341-F458 HydrophobicContact CZ3-CZ 4.32Å |
| 342 | A | 90.4 | Very high | 91.2 | Very high | 62 Ų | 62 | 48.1 Ų | 48.1 | 51% | 0.512 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.2 | -39.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y340 A346 | Y340-A342 PolarHBondContact O-N 3.19Å; A342-A346 PolarHBondContact O-N 2.81Å |
| 343 | N | 91.1 | Very high | 90.6 | Very high | 83 Ų | 83 | 54.6 Ų | 54.6 | 44% | 0.444 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -71.8 | -42.9 | 177.6 | -60.5 | -39.9 | 0 | 0 | 0 | 111.6 | A339 Y340 W341 A346 V347 | A339-N343 PolarHBondContact O-ND2 2.91Å; Y340-N343 PolarHBondContact O-N 3.38Å; W341-N343 VanDerWaalsContact C-N 3.27Å; W341-N343 PolarHBondContact O-N 2.89Å; N343-A346 PolarHBondContact O-N 3.37Å; N343-V347 PolarHBondContact O-N 2.86Å |
| 344 | L | 92.6 | Very high | 90 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 177 | -178.1 | 64 | 0 | 0 | 0 | 111.4 | Y340 W341 A346 V347 L348 V365 I369 | Y340-L344 HydrophobicContact CD1-CB 4.44Å; Y340-L344 HydrophobicContact CE1-CB 4.11Å; Y340-L344 HydrophobicContact CE1-CD2 4.17Å; Y340-L344 PolarHBondContact O-N 2.94Å; W341-L344 HydrophobicContact CE3-CD2 4.45Å; W341-L344 HydrophobicContact CZ3-CD2 4.3Å; W341-L344 PolarHBondContact O-N 2.99Å; L344-A346 PolarHBondContact O-N 2.97Å; L344-V347 WeakPolarHBondContact O-CB 3.39Å; L344-V347 PolarHBondContact O-N 3.11Å; L344-V347 VanDerWaalsContact O-N 3.16Å; L344-L348 HydrophobicContact CG-CD1 4.08Å; L344-L348 HydrophobicContact CG-CG 4.42Å; L344-L348 WeakPolarHBondContact O-CG 3.3Å; L344-L348 PolarHBondContact O-N 3.16Å; L344-V365 HydrophobicContact CD1-CB 4.26Å; L344-V365 HydrophobicContact CD1-CG1 4.24Å; L344-V365 HydrophobicContact CD2-CG1 4.3Å; L344-I369 HydrophobicContact CD2-CD1 4.04Å |
| 345 | Q | 92.3 | Very high | 89.8 | Confident | 80 Ų | 80 | 61.9 Ų | 61.9 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 178.1 | 179.8 | 171 | -8.1 | 0 | 0 | 111.3 | W341 V347 L348 D349 | W341-Q345 HydrophobicContact CZ2-CB 4.27Å; W341-Q345 VanDerWaalsContact O-CB 3.3Å; W341-Q345 WeakPolarHBondContact O-CB 3.36Å; W341-Q345 PolarHBondContact O-N 2.66Å; Q345-V347 PolarHBondContact O-N 3.22Å; Q345-L348 CarbonylContact O-C 3.55Å; Q345-L348 PolarHBondContact O-N 3.4Å; Q345-D349 WeakPolarHBondContact CG-OD2 3.12Å; Q345-D349 PolarHBondContact NE2-OD2 3.42Å; Q345-D349 WeakPolarHBondContact O-CB 3.28Å; Q345-D349 PolarHBondContact O-N 2.97Å |
| 346 | A | 91.6 | Very high | 89.7 | Confident | 68 Ų | 68 | 62.1 Ų | 62.1 | 56% | 0.562 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.2 | -32.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A342 N343 L344 D350 | A342-A346 PolarHBondContact O-N 2.81Å; N343-A346 PolarHBondContact O-N 3.37Å; L344-A346 PolarHBondContact O-N 2.97Å; A346-D350 PolarHBondContact O-N 3.41Å |
| 347 | V | 91.2 | Very high | 89.6 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 24% | 0.236 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -74.6 | -36.4 | 173.1 | 173.7 | 0 | 0 | 0 | 0 | 112.1 | L311 N343 L344 Q345 V358 | L311-V347 HydrophobicContact CD1-CG1 4.09Å; N343-V347 PolarHBondContact O-N 2.86Å; L344-V347 WeakPolarHBondContact O-CB 3.39Å; L344-V347 PolarHBondContact O-N 3.11Å; L344-V347 VanDerWaalsContact O-N 3.16Å; Q345-V347 PolarHBondContact O-N 3.22Å; V347-V358 HydrophobicContact CG1-CG1 3.95Å |
| 348 | L | 91.6 | Very high | 89.5 | Confident | 20 Ų | 20 | 67.1 Ų | 67.1 | 11% | 0.105 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -74.4 | -27.7 | 178.2 | -65.9 | 176.5 | 0 | 0 | 0 | 113 | L344 Q345 K359 Y366 | L344-L348 HydrophobicContact CG-CD1 4.08Å; L344-L348 HydrophobicContact CG-CG 4.42Å; L344-L348 WeakPolarHBondContact O-CG 3.3Å; L344-L348 PolarHBondContact O-N 3.16Å; Q345-L348 CarbonylContact O-C 3.55Å; Q345-L348 PolarHBondContact O-N 3.4Å; L348-K359 VanDerWaalsContact O-CE 3.26Å; L348-K359 WeakPolarHBondContact O-CE 3.26Å; L348-K359 PolarHBondContact O-NZ 3.1Å; L348-Y366 HydrophobicContact CD1-CD2 3.99Å; L348-Y366 HydrophobicContact CD1-CG 4.34Å |
| 349 | D | 91.8 | Very high | 89.6 | Confident | 86 Ų | 86 | 66 Ų | 66 | 46% | 0.46 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -90.7 | -3.3 | 178.2 | -70.9 | -24.8 | 0 | 0 | 0 | 112.9 | Q345 Y351 | Q345-D349 WeakPolarHBondContact CG-OD2 3.12Å; Q345-D349 PolarHBondContact NE2-OD2 3.42Å; Q345-D349 WeakPolarHBondContact O-CB 3.28Å; Q345-D349 PolarHBondContact O-N 2.97Å; D349-Y351 WeakPolarHBondContact O-CD2 3.43Å; D349-Y351 VanDerWaalsContact O-CE2 3.23Å; D349-Y351 WeakPolarHBondContact O-CE2 3.49Å |
| 350 | D | 89.7 | Confident | 89.6 | Confident | 50 Ų | 50 | 64.9 Ų | 64.9 | 27% | 0.267 | 38% | 0.375 | S | S | . | . | trans | -76.6 | 122.2 | 171.7 | -174.2 | -4.6 | 0 | 0 | 0 | 111.1 | A346 S352 N355 K359 | A346-D350 PolarHBondContact O-N 3.41Å; D350-S352 VanDerWaalsContact CG-OG 3.3Å; D350-S352 WeakPolarHBondContact OD1-CB 3.15Å; D350-S352 PolarHBondContact OD1-N 2.93Å; D350-S352 PolarHBondContact OD1-OG 3.09Å; D350-S352 PolarHBondContact OD2-OG 3.19Å; D350-N355 WeakPolarHBondContact OD2-CB 3.48Å; D350-N355 PolarHBondContact OD2-ND2 2.98Å; D350-K359 WeakPolarHBondContact O-CD 3.29Å; D350-K359 PolarHBondContact O-NZ 2.94Å | ||
| 351 | Y | 84.4 | Confident | 89.7 | Confident | 189 Ų | 189 | 65.8 Ų | 65.8 | 74% | 0.741 | 38% | 0.381 | S | S | * | . | trans | -107.4 | 11.6 | 178.4 | -66.5 | -87.4 | 0 | 0 | 0 | 113.5 | D349 | D349-Y351 WeakPolarHBondContact O-CD2 3.43Å; D349-Y351 VanDerWaalsContact O-CE2 3.23Å; D349-Y351 WeakPolarHBondContact O-CE2 3.49Å | ||
| 352 | S | 88.4 | Confident | 89.7 | Confident | 42 Ų | 42 | 64.3 Ų | 64.3 | 29% | 0.294 | 38% | 0.375 | S | S | . | . | trans | -68.9 | 132.3 | 176.7 | 66.6 | 0 | 0 | 0 | 0 | 111.9 | D350 S354 N355 | D350-S352 VanDerWaalsContact CG-OG 3.3Å; D350-S352 WeakPolarHBondContact OD1-CB 3.15Å; D350-S352 PolarHBondContact OD1-N 2.93Å; D350-S352 PolarHBondContact OD1-OG 3.09Å; D350-S352 PolarHBondContact OD2-OG 3.19Å; S352-S354 PolarHBondContact O-N 3.34Å; S352-S354 PolarHBondContact OG-OG 3.17Å; S352-N355 PolarHBondContact O-N 3.32Å; S352-N355 WeakPolarHBondContact OG-CB 3.45Å; S352-N355 PolarHBondContact OG-ND2 3.04Å | ||
| 353 | V | 80.4 | Confident | 89.9 | Confident | 137 Ų | 137 | 66.1 Ų | 66.1 | 83% | 0.83 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -62.4 | -30.2 | -178.4 | -177.7 | 0 | 0 | 0 | 0 | 111.7 | N355 A356 | V353-N355 VanDerWaalsContact C-N 3.28Å; V353-N355 PolarHBondContact O-N 3.23Å; V353-A356 WeakPolarHBondContact O-CB 3.3Å; V353-A356 PolarHBondContact O-N 3.29Å |
| 354 | S | 82.7 | Confident | 90.1 | Very high | 100 Ų | 100 | 66.5 Ų | 66.5 | 70% | 0.699 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -60.3 | -33.3 | 174.2 | 42.7 | 0 | 0 | 0 | 0 | 113.7 | S352 | S352-S354 PolarHBondContact O-N 3.34Å; S352-S354 PolarHBondContact OG-OG 3.17Å |
| 355 | N | 87.9 | Confident | 90.3 | Very high | 66 Ų | 66 | 66.4 Ų | 66.4 | 35% | 0.353 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -102.8 | 11.4 | -173.2 | -63.8 | -9.4 | 0 | 0 | 0 | 112.8 | D350 S352 V353 Q357 V358 K359 | D350-N355 WeakPolarHBondContact OD2-CB 3.48Å; D350-N355 PolarHBondContact OD2-ND2 2.98Å; S352-N355 PolarHBondContact O-N 3.32Å; S352-N355 WeakPolarHBondContact OG-CB 3.45Å; S352-N355 PolarHBondContact OG-ND2 3.04Å; V353-N355 VanDerWaalsContact C-N 3.28Å; V353-N355 PolarHBondContact O-N 3.23Å; N355-Q357 VanDerWaalsContact C-N 3.28Å; N355-Q357 PolarHBondContact O-N 3.43Å; N355-V358 WeakPolarHBondContact O-CA 3.49Å; N355-V358 WeakPolarHBondContact O-CB 3.26Å; N355-V358 PolarHBondContact O-N 3.43Å; N355-K359 PolarHBondContact O-N 3.27Å |
| 356 | A | 88.9 | Confident | 90.5 | Very high | 56 Ų | 56 | 64.6 Ų | 64.6 | 46% | 0.463 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -55.2 | -36.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V353 A360 | V353-A356 WeakPolarHBondContact O-CB 3.3Å; V353-A356 PolarHBondContact O-N 3.29Å; A356-A360 PolarHBondContact O-N 3.29Å |
| 357 | Q | 88.6 | Confident | 90.6 | Very high | 92 Ų | 92 | 62.9 Ų | 62.9 | 43% | 0.43 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.5 | -45.2 | 173.5 | -177.3 | 63.2 | 48.6 | 0 | 0 | 111.7 | N355 K359 A360 D361 | N355-Q357 VanDerWaalsContact C-N 3.28Å; N355-Q357 PolarHBondContact O-N 3.43Å; Q357-K359 VanDerWaalsContact C-N 3.28Å; Q357-K359 PolarHBondContact O-N 2.96Å; Q357-A360 WeakPolarHBondContact O-CB 3.31Å; Q357-A360 PolarHBondContact O-N 3Å; Q357-A360 VanDerWaalsContact O-N 3.1Å; Q357-D361 PolarHBondContact NE2-OD1 3.12Å; Q357-D361 PolarHBondContact O-N 2.68Å |
| 358 | V | 90.9 | Very high | 90.9 | Very high | 64 Ų | 64 | 61.7 Ų | 61.7 | 39% | 0.388 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.9 | -38.1 | 179.4 | -170 | 0 | 0 | 0 | 0 | 110.5 | L311 V347 N355 D361 G362 | L311-V358 HydrophobicContact CD1-CG1 3.65Å; L311-V358 VanDerWaalsContact CD1-O 3.27Å; L311-V358 WeakPolarHBondContact CD1-O 3.33Å; V347-V358 HydrophobicContact CG1-CG1 3.95Å; N355-V358 WeakPolarHBondContact O-CA 3.49Å; N355-V358 WeakPolarHBondContact O-CB 3.26Å; N355-V358 PolarHBondContact O-N 3.43Å; V358-D361 PolarHBondContact O-N 3.15Å; V358-G362 PolarHBondContact O-N 3.43Å |
| 359 | K | 91.6 | Very high | 91.1 | Very high | 37 Ų | 37 | 60.7 Ų | 60.7 | 16% | 0.161 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 172.1 | -164.4 | -170.6 | -172.5 | 102.1 | 0 | 112.1 | L348 D350 N355 Q357 G362 H363 | L348-K359 VanDerWaalsContact O-CE 3.26Å; L348-K359 WeakPolarHBondContact O-CE 3.26Å; L348-K359 PolarHBondContact O-NZ 3.1Å; D350-K359 WeakPolarHBondContact O-CD 3.29Å; D350-K359 PolarHBondContact O-NZ 2.94Å; N355-K359 PolarHBondContact O-N 3.27Å; Q357-K359 VanDerWaalsContact C-N 3.28Å; Q357-K359 PolarHBondContact O-N 2.96Å; K359-G362 PolarHBondContact O-N 3.17Å; K359-H363 PolarHBondContact O-CD2 3.24Å; K359-H363 PolarHBondContact O-N 3.08Å |
| 360 | A | 91.5 | Very high | 91.2 | Very high | 46 Ų | 46 | 56.9 Ų | 56.9 | 38% | 0.38 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A356 Q357 G362 H363 K364 | A356-A360 PolarHBondContact O-N 3.29Å; Q357-A360 WeakPolarHBondContact O-CB 3.31Å; Q357-A360 PolarHBondContact O-N 3Å; Q357-A360 VanDerWaalsContact O-N 3.1Å; A360-G362 VanDerWaalsContact C-N 3.32Å; A360-H363 PolarHBondContact O-N 3.04Å; A360-K364 PolarHBondContact O-N 3.5Å; A360-K364 VanDerWaalsContact O-N 3.12Å |
| 361 | D | 92.6 | Very high | 91.5 | Very high | 32 Ų | 32 | 57.6 Ų | 57.6 | 17% | 0.171 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.9 | -36.8 | 173.4 | -63.3 | -5.6 | 0 | 0 | 0 | 111.2 | W268 L311 Q357 V358 K364 V365 | W268-D361 HydrophobicContact CH2-CB 3.99Å; W268-D361 HydrophobicContact CZ2-CB 4.26Å; W268-D361 WeakPolarHBondContact CZ2-OD1 3.35Å; L311-D361 HydrophobicContact CB-CB 3.97Å; L311-D361 HydrophobicContact CD1-CB 4.02Å; Q357-D361 PolarHBondContact NE2-OD1 3.12Å; Q357-D361 PolarHBondContact O-N 2.68Å; V358-D361 PolarHBondContact O-N 3.15Å; D361-K364 WeakPolarHBondContact O-CB 3.3Å; D361-K364 PolarHBondContact O-N 2.92Å; D361-K364 VanDerWaalsContact O-N 3.17Å; D361-V365 PolarHBondContact O-N 3.2Å; D361-V365 VanDerWaalsContact O-N 3.08Å |
| 362 | G | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V358 K359 A360 K364 V365 Y366 | V358-G362 PolarHBondContact O-N 3.43Å; K359-G362 PolarHBondContact O-N 3.17Å; A360-G362 VanDerWaalsContact C-N 3.32Å; G362-K364 VanDerWaalsContact C-N 3.31Å; G362-K364 PolarHBondContact O-N 2.76Å; G362-V365 PolarHBondContact O-N 3Å; G362-Y366 WeakPolarHBondContact O-CB 3.37Å; G362-Y366 PolarHBondContact O-N 3.4Å |
| 363 | H | 94.6 | Very high | 92.3 | Very high | 100 Ų | 100 | 46.7 Ų | 46.7 | 46% | 0.463 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.7 | -31.8 | 173.6 | -74.8 | -65.1 | 0 | 0 | 0 | 112.9 | K359 A360 G367 | K359-H363 PolarHBondContact O-CD2 3.24Å; K359-H363 PolarHBondContact O-N 3.08Å; A360-H363 PolarHBondContact O-N 3.04Å; H363-G367 PolarHBondContact O-N 3.28Å |
| 364 | K | 95 | Very high | 92.9 | Very high | 90 Ų | 90 | 42 Ų | 42 | 39% | 0.391 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.3 | -47.3 | 171 | -66.4 | -90.4 | -171.2 | 158.3 | 0 | 111.1 | W268 Y315 A360 D361 G362 G367 A368 | W268-K364 HydrophobicContact CD2-CD 4.02Å; W268-K364 HydrophobicContact CD2-CG 4.26Å; W268-K364 HydrophobicContact CE3-CB 4.1Å; W268-K364 HydrophobicContact CE3-CD 4.28Å; W268-K364 HydrophobicContact CE3-CG 4.29Å; W268-K364 HydrophobicContact CG-CD 4.31Å; W268-K364 HydrophobicContact CH2-CB 4.02Å; W268-K364 HydrophobicContact CH2-CG 4.16Å; W268-K364 HydrophobicContact CZ2-CB 4.48Å; W268-K364 HydrophobicContact CZ2-CG 4.11Å; W268-K364 HydrophobicContact CZ3-CB 3.81Å; W268-K364 HydrophobicContact CZ3-CG 4.24Å; Y315-K364 HydrophobicContact CD2-CB 4.07Å; Y315-K364 HydrophobicContact CE2-CB 4.23Å; A360-K364 PolarHBondContact O-N 3.5Å; A360-K364 VanDerWaalsContact O-N 3.12Å; D361-K364 WeakPolarHBondContact O-CB 3.3Å; D361-K364 PolarHBondContact O-N 2.92Å; D361-K364 VanDerWaalsContact O-N 3.17Å; G362-K364 VanDerWaalsContact C-N 3.31Å; G362-K364 PolarHBondContact O-N 2.76Å; K364-G367 PolarHBondContact O-N 3.44Å; K364-A368 PolarHBondContact O-N 3.4Å |
| 365 | V | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.1 | -48.4 | 176.4 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | L311 H314 Y340 L344 D361 G362 G367 A368 I369 | L311-V365 HydrophobicContact CB-CG2 4.06Å; L311-V365 HydrophobicContact CD2-CG2 4.28Å; L311-V365 VanDerWaalsContact O-CG2 3.3Å; L311-V365 WeakPolarHBondContact O-CG2 3.43Å; H314-V365 HydrophobicContact CB-CG2 4.44Å; Y340-V365 HydrophobicContact CE1-CG1 4.01Å; L344-V365 HydrophobicContact CD1-CB 4.26Å; L344-V365 HydrophobicContact CD1-CG1 4.24Å; L344-V365 HydrophobicContact CD2-CG1 4.3Å; D361-V365 PolarHBondContact O-N 3.2Å; D361-V365 VanDerWaalsContact O-N 3.08Å; G362-V365 PolarHBondContact O-N 3Å; V365-G367 VanDerWaalsContact C-N 3.33Å; V365-G367 PolarHBondContact O-N 3.15Å; V365-A368 PolarHBondContact O-N 3.49Å; V365-I369 HydrophobicContact CG1-CD1 3.81Å; V365-I369 HydrophobicContact CG1-CG1 4.36Å; V365-I369 WeakPolarHBondContact O-CG1 3.43Å; V365-I369 PolarHBondContact O-N 3.47Å |
| 366 | Y | 96 | Very high | 93.6 | Very high | 43 Ų | 43 | 40.3 Ų | 40.3 | 17% | 0.169 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -53.8 | -47.6 | 175.8 | 174.5 | -92.1 | 0 | 0 | 0 | 112.1 | W341 L348 G362 A368 I369 L370 F458 S461 | W341-Y366 AromaticContact CH2-CD2 3.95Å; W341-Y366 HydrophobicContact CH2-CD2 3.95Å; W341-Y366 AromaticContact CH2-CE2 3.75Å; W341-Y366 HydrophobicContact CH2-CE2 3.75Å; W341-Y366 AromaticContact CZ3-CD2 3.84Å; W341-Y366 HydrophobicContact CZ3-CD2 3.84Å; W341-Y366 AromaticContact CZ3-CE2 3.94Å; W341-Y366 HydrophobicContact CZ3-CE2 3.94Å; L348-Y366 HydrophobicContact CD1-CD2 3.99Å; L348-Y366 HydrophobicContact CD1-CG 4.34Å; G362-Y366 WeakPolarHBondContact O-CB 3.37Å; G362-Y366 PolarHBondContact O-N 3.4Å; Y366-A368 PolarHBondContact O-N 3.39Å; Y366-I369 PolarHBondContact O-N 2.97Å; Y366-L370 WeakPolarHBondContact O-CB 3.44Å; Y366-L370 PolarHBondContact O-N 2.79Å; Y366-F458 HydrophobicContact CD2-CD1 4.34Å; Y366-F458 HydrophobicContact CD2-CE1 4.19Å; Y366-F458 AromaticContact CE2-CD1 3.61Å; Y366-F458 HydrophobicContact CE2-CD1 3.61Å; Y366-F458 AromaticContact CE2-CE1 3.92Å; Y366-F458 HydrophobicContact CE2-CE1 3.92Å; Y366-S461 WeakPolarHBondContact OH-CB 3.45Å; Y366-S461 PolarHBondContact OH-OG 3.01Å |
| 367 | G | 95.1 | Very high | 93.8 | Very high | 31 Ų | 31 | 38 Ų | 38 | 32% | 0.32 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | H363 K364 V365 L370 V371 | H363-G367 PolarHBondContact O-N 3.28Å; K364-G367 PolarHBondContact O-N 3.44Å; V365-G367 VanDerWaalsContact C-N 3.33Å; V365-G367 PolarHBondContact O-N 3.15Å; G367-L370 PolarHBondContact O-N 3.38Å; G367-V371 WeakPolarHBondContact O-CG2 3.26Å; G367-V371 PolarHBondContact O-N 2.86Å; G367-V371 VanDerWaalsContact O-N 3.12Å |
| 368 | A | 96.1 | Very high | 93.9 | Very high | 14 Ų | 14 | 37 Ų | 37 | 12% | 0.116 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.9 | -42 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y315 V318 V319 K364 V365 Y366 V371 A372 | Y315-A368 HydrophobicContact CD2-CB 3.88Å; Y315-A368 HydrophobicContact CE2-CB 3.81Å; V318-A368 HydrophobicContact CB-CB 4.42Å; V318-A368 HydrophobicContact CG1-CB 3.86Å; V319-A368 HydrophobicContact CG2-CB 3.95Å; K364-A368 PolarHBondContact O-N 3.4Å; V365-A368 PolarHBondContact O-N 3.49Å; Y366-A368 PolarHBondContact O-N 3.39Å; A368-V371 PolarHBondContact O-N 3.15Å; A368-A372 WeakPolarHBondContact O-CB 3.34Å; A368-A372 PolarHBondContact O-N 2.66Å |
| 369 | I | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.8 | -45 | 176.9 | -64 | 170.9 | 0 | 0 | 0 | 110.2 | V318 L333 L337 Y340 L344 V365 Y366 V371 A372 V373 F458 | V318-I369 HydrophobicContact CB-CG1 4.38Å; V318-I369 HydrophobicContact CG1-CB 4.45Å; V318-I369 HydrophobicContact CG1-CG1 3.79Å; V318-I369 HydrophobicContact CG2-CD1 4.27Å; V318-I369 HydrophobicContact CG2-CG1 3.68Å; L333-I369 HydrophobicContact CD2-CG2 4.2Å; L337-I369 HydrophobicContact CD1-CD1 4.42Å; L337-I369 HydrophobicContact CD1-CG2 3.93Å; Y340-I369 HydrophobicContact CD1-CD1 4.1Å; Y340-I369 HydrophobicContact CE1-CD1 3.9Å; L344-I369 HydrophobicContact CD2-CD1 4.04Å; V365-I369 HydrophobicContact CG1-CD1 3.81Å; V365-I369 HydrophobicContact CG1-CG1 4.36Å; V365-I369 WeakPolarHBondContact O-CG1 3.43Å; V365-I369 PolarHBondContact O-N 3.47Å; Y366-I369 PolarHBondContact O-N 2.97Å; I369-V371 VanDerWaalsContact C-N 3.32Å; I369-V371 PolarHBondContact O-N 3.28Å; I369-A372 PolarHBondContact O-N 2.93Å; I369-A372 VanDerWaalsContact O-N 3.12Å; I369-V373 HydrophobicContact CG2-CG2 4.1Å; I369-V373 WeakPolarHBondContact O-CB 3.32Å; I369-V373 WeakPolarHBondContact O-CG2 3.49Å; I369-V373 PolarHBondContact O-N 3.31Å; I369-F458 HydrophobicContact CB-CZ 4.45Å; I369-F458 HydrophobicContact CG2-CE1 4.12Å; I369-F458 HydrophobicContact CG2-CE2 4.33Å; I369-F458 HydrophobicContact CG2-CZ 3.47Å; I369-F458 VanDerWaalsContact CG2-CZ 3.47Å |
| 370 | L | 94.9 | Very high | 93.8 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.8 | -43.5 | 178.8 | -169.9 | 74.1 | 0 | 0 | 0 | 111.7 | Y366 G367 V373 E374 F458 L462 R465 | Y366-L370 WeakPolarHBondContact O-CB 3.44Å; Y366-L370 PolarHBondContact O-N 2.79Å; G367-L370 PolarHBondContact O-N 3.38Å; L370-V373 PolarHBondContact O-N 3.14Å; L370-E374 VanDerWaalsContact O-CB 3.31Å; L370-E374 WeakPolarHBondContact O-CB 3.19Å; L370-E374 PolarHBondContact O-N 3.2Å; L370-F458 HydrophobicContact CD1-CB 3.92Å; L370-F458 HydrophobicContact CD1-CD1 3.82Å; L370-F458 HydrophobicContact CD1-CG 3.82Å; L370-L462 HydrophobicContact CD1-CB 4.32Å; L370-L462 HydrophobicContact CD1-CD1 4.23Å; L370-R465 HydrophobicContact CD2-CG 4.45Å |
| 371 | V | 94.6 | Very high | 93.6 | Very high | 64 Ų | 64 | 34.3 Ų | 34.3 | 39% | 0.388 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -67.8 | -37.9 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 111.9 | G367 A368 I369 R375 | G367-V371 WeakPolarHBondContact O-CG2 3.26Å; G367-V371 PolarHBondContact O-N 2.86Å; G367-V371 VanDerWaalsContact O-N 3.12Å; A368-V371 PolarHBondContact O-N 3.15Å; I369-V371 VanDerWaalsContact C-N 3.32Å; I369-V371 PolarHBondContact O-N 3.28Å; V371-R375 VanDerWaalsContact O-CB 3.29Å; V371-R375 WeakPolarHBondContact O-CB 3.2Å; V371-R375 PolarHBondContact O-N 3.27Å |
| 372 | A | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.5 | -42.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V318 H322 V329 L333 A368 I369 R375 L376 | V318-A372 HydrophobicContact CG1-CB 4.28Å; H322-A372 HydrophobicContact CB-CB 4.22Å; H322-A372 WeakPolarHBondContact ND1-CA 3.45Å; V329-A372 HydrophobicContact CG1-CB 4.05Å; V329-A372 HydrophobicContact CG2-CB 4.28Å; L333-A372 HydrophobicContact CD2-CB 4.05Å; A368-A372 WeakPolarHBondContact O-CB 3.34Å; A368-A372 PolarHBondContact O-N 2.66Å; I369-A372 PolarHBondContact O-N 2.93Å; I369-A372 VanDerWaalsContact O-N 3.12Å; A372-R375 PolarHBondContact O-N 3.39Å; A372-L376 WeakPolarHBondContact O-CB 3.42Å; A372-L376 PolarHBondContact O-N 2.9Å |
| 373 | V | 94.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.3 | -45.9 | 177 | 158.5 | 0 | 0 | 0 | 0 | 112 | I369 L370 R375 L376 L377 L454 F458 L462 | I369-V373 HydrophobicContact CG2-CG2 4.1Å; I369-V373 WeakPolarHBondContact O-CB 3.32Å; I369-V373 WeakPolarHBondContact O-CG2 3.49Å; I369-V373 PolarHBondContact O-N 3.31Å; L370-V373 PolarHBondContact O-N 3.14Å; V373-R375 VanDerWaalsContact C-N 3.3Å; V373-R375 PolarHBondContact O-N 3.43Å; V373-L376 WeakPolarHBondContact O-CB 3.48Å; V373-L376 PolarHBondContact O-N 3.08Å; V373-L377 HydrophobicContact CG1-CD1 4.06Å; V373-L377 PolarHBondContact O-N 2.63Å; V373-L454 HydrophobicContact CG1-CB 4.27Å; V373-L454 HydrophobicContact CG1-CD1 3.98Å; V373-L454 HydrophobicContact CG1-CD2 3.98Å; V373-L454 HydrophobicContact CG1-CG 4.3Å; V373-L454 HydrophobicContact CG2-CD2 3.76Å; V373-F458 HydrophobicContact CB-CE2 4.49Å; V373-F458 HydrophobicContact CG1-CD2 4.32Å; V373-F458 HydrophobicContact CG1-CE2 4.31Å; V373-F458 HydrophobicContact CG2-CE2 3.98Å; V373-L462 HydrophobicContact CG1-CD1 3.7Å; V373-L462 HydrophobicContact CG1-CD2 4.45Å |
| 374 | E | 93.6 | Very high | 92.6 | Very high | 39 Ų | 39 | 38 Ų | 38 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57 | -46.7 | 174.3 | -172.5 | -156.6 | 132.6 | 0 | 0 | 110.6 | L370 L377 K378 R465 F466 | L370-E374 VanDerWaalsContact O-CB 3.31Å; L370-E374 WeakPolarHBondContact O-CB 3.19Å; L370-E374 PolarHBondContact O-N 3.2Å; E374-L377 PolarHBondContact O-N 2.87Å; E374-K378 HydrophobicContact CG-CD 4.03Å; E374-K378 WeakPolarHBondContact O-CB 3.47Å; E374-K378 WeakPolarHBondContact O-CG 3.18Å; E374-K378 PolarHBondContact O-N 2.96Å; E374-K378 WeakPolarHBondContact OE1-CE 3.47Å; E374-K378 IonicContact OE1-NZ 2.71Å; E374-K378 PolarHBondContact OE1-NZ 2.82Å; E374-R465 HydrophobicContact CG-CB 3.92Å; E374-R465 WeakPolarHBondContact OE2-CB 3.39Å; E374-R465 WeakPolarHBondContact OE2-CD 3.49Å; E374-F466 HydrophobicContact CG-CZ 4.34Å |
| 375 | R | 91.7 | Very high | 91.7 | Very high | 129 Ų | 129 | 36.7 Ų | 36.7 | 49% | 0.487 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.9 | -38.4 | 178.7 | -173.2 | 59.5 | 171.1 | 170.3 | 0.2 | 112.3 | V371 A372 V373 M379 | V371-R375 VanDerWaalsContact O-CB 3.29Å; V371-R375 WeakPolarHBondContact O-CB 3.2Å; V371-R375 PolarHBondContact O-N 3.27Å; A372-R375 PolarHBondContact O-N 3.39Å; V373-R375 VanDerWaalsContact C-N 3.3Å; V373-R375 PolarHBondContact O-N 3.43Å; R375-M379 HydrophobicContact CG-CG 4.35Å; R375-M379 VanDerWaalsContact CZ-SD 3.54Å; R375-M379 VanDerWaalsContact O-CB 3.3Å; R375-M379 WeakPolarHBondContact O-CB 3.33Å; R375-M379 WeakPolarHBondContact O-CG 3.43Å; R375-M379 PolarHBondContact O-N 3Å |
| 376 | L | 93.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.4 | -57.1 | 174.4 | 168.6 | 56.3 | 0 | 0 | 0 | 110.9 | W326 V329 E330 F334 A372 V373 K378 M379 K380 M450 | W326-L376 HydrophobicContact CB-CD1 4.37Å; W326-L376 HydrophobicContact CE3-CD1 3.92Å; V329-L376 HydrophobicContact CG1-CB 4.3Å; V329-L376 HydrophobicContact CG1-CD2 4.19Å; E330-L376 HydrophobicContact CB-CD1 3.68Å; E330-L376 HydrophobicContact CB-CD2 4.41Å; E330-L376 HydrophobicContact CG-CD1 3.9Å; F334-L376 HydrophobicContact CB-CD2 4.48Å; A372-L376 WeakPolarHBondContact O-CB 3.42Å; A372-L376 PolarHBondContact O-N 2.9Å; V373-L376 WeakPolarHBondContact O-CB 3.48Å; V373-L376 PolarHBondContact O-N 3.08Å; L376-K378 PolarHBondContact O-N 2.93Å; L376-M379 PolarHBondContact O-N 3.01Å; L376-K380 VanDerWaalsContact O-CB 3.28Å; L376-K380 WeakPolarHBondContact O-CB 3.43Å; L376-K380 PolarHBondContact O-N 2.78Å; L376-M450 HydrophobicContact CD2-CE 4.43Å; L376-M450 HydrophobicContact CD2-SD 4.12Å; L376-M450 HydrophobicContact CG-SD 4.32Å |
| 377 | L | 92.6 | Very high | 88.6 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.5 | -46.8 | -178.1 | -72.6 | 164.6 | 0 | 0 | 0 | 111.9 | V373 E374 M379 K380 A381 M450 Y451 L454 L462 F466 | V373-L377 HydrophobicContact CG1-CD1 4.06Å; V373-L377 PolarHBondContact O-N 2.63Å; E374-L377 PolarHBondContact O-N 2.87Å; L377-M379 PolarHBondContact O-N 3.22Å; L377-K380 PolarHBondContact O-N 2.88Å; L377-A381 WeakPolarHBondContact O-CB 3.31Å; L377-A381 PolarHBondContact O-N 2.94Å; L377-M450 HydrophobicContact CD2-CG 4.19Å; L377-Y451 HydrophobicContact CD1-CD2 3.99Å; L377-Y451 HydrophobicContact CD2-CD2 4.38Å; L377-L454 HydrophobicContact CD1-CD1 4.14Å; L377-L454 HydrophobicContact CD2-CD1 4.23Å; L377-L454 HydrophobicContact CG-CD1 4.22Å; L377-L462 HydrophobicContact CD1-CD1 4.26Å; L377-L462 HydrophobicContact CD1-CD2 4.3Å; L377-F466 HydrophobicContact CB-CE1 4.24Å; L377-F466 HydrophobicContact CB-CZ 3.76Å; L377-F466 HydrophobicContact CD1-CE2 4.11Å; L377-F466 HydrophobicContact CD1-CZ 3.8Å; L377-F466 HydrophobicContact CG-CZ 4.45Å |
| 378 | K | 91.6 | Very high | 86.3 | Confident | 72 Ų | 72 | 45.8 Ų | 45.8 | 31% | 0.313 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 178.4 | -70.1 | -179.8 | -178.5 | 176.8 | 0 | 112.2 | E374 L376 V382 R465 F466 | E374-K378 HydrophobicContact CG-CD 4.03Å; E374-K378 WeakPolarHBondContact O-CB 3.47Å; E374-K378 WeakPolarHBondContact O-CG 3.18Å; E374-K378 PolarHBondContact O-N 2.96Å; E374-K378 WeakPolarHBondContact OE1-CE 3.47Å; E374-K378 IonicContact OE1-NZ 2.71Å; E374-K378 PolarHBondContact OE1-NZ 2.82Å; L376-K378 PolarHBondContact O-N 2.93Å; K378-V382 WeakPolarHBondContact O-CG2 3.27Å; K378-V382 PolarHBondContact O-N 3.05Å; K378-R465 PolarHBondContact NZ-O 2.86Å; K378-F466 HydrophobicContact CD-CE1 4.26Å; K378-F466 HydrophobicContact CG-CD1 4.37Å; K378-F466 HydrophobicContact CG-CE1 3.62Å; K378-F466 HydrophobicContact CG-CZ 4.37Å |
| 379 | M | 91 | Very high | 84 | Confident | 28 Ų | 28 | 53 Ų | 53 | 14% | 0.138 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -72.8 | -37 | 178.9 | -70.2 | -59.5 | -55.1 | 0 | 0 | 113.1 | W326 R375 L376 L377 V382 S383 P410 | W326-M379 HydrophobicContact CB-CB 3.9Å; W326-M379 HydrophobicContact CB-CG 4.26Å; W326-M379 HydrophobicContact CD2-CB 3.94Å; W326-M379 HydrophobicContact CG-CB 3.53Å; W326-M379 HydrophobicContact CG-CG 4.12Å; R375-M379 HydrophobicContact CG-CG 4.35Å; R375-M379 VanDerWaalsContact CZ-SD 3.54Å; R375-M379 VanDerWaalsContact O-CB 3.3Å; R375-M379 WeakPolarHBondContact O-CB 3.33Å; R375-M379 WeakPolarHBondContact O-CG 3.43Å; R375-M379 PolarHBondContact O-N 3Å; L376-M379 PolarHBondContact O-N 3.01Å; L377-M379 PolarHBondContact O-N 3.22Å; M379-V382 PolarHBondContact O-N 3.46Å; M379-S383 WeakPolarHBondContact O-CB 3.41Å; M379-S383 PolarHBondContact O-N 3.24Å; M379-P410 HydrophobicContact CE-CB 4.43Å |
| 380 | K | 89 | Confident | 81.5 | Confident | 16 Ų | 16 | 56.6 Ų | 56.6 | 7% | 0.07 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.5 | -38.2 | 177.9 | -170.6 | 171.1 | 176.9 | 164.8 | 0 | 111.6 | W326 E330 L376 L377 S383 L384 V445 L447 M450 | W326-K380 HydrophobicContact CE3-CB 4.43Å; W326-K380 HydrophobicContact CZ3-CB 4.15Å; W326-K380 HydrophobicContact CZ3-CG 4.27Å; E330-K380 WeakPolarHBondContact OE1-CD 3.34Å; E330-K380 VanDerWaalsContact OE1-CE 3.23Å; E330-K380 WeakPolarHBondContact OE1-CE 3.47Å; E330-K380 IonicContact OE1-NZ 3.3Å; E330-K380 PolarHBondContact OE1-NZ 3.16Å; L376-K380 VanDerWaalsContact O-CB 3.28Å; L376-K380 WeakPolarHBondContact O-CB 3.43Å; L376-K380 PolarHBondContact O-N 2.78Å; L377-K380 PolarHBondContact O-N 2.88Å; K380-S383 PolarHBondContact O-N 2.97Å; K380-L384 WeakPolarHBondContact O-CG 3.44Å; K380-L384 PolarHBondContact O-N 2.98Å; K380-L384 VanDerWaalsContact O-N 3.12Å; K380-V445 WeakPolarHBondContact CE-O 3.48Å; K380-V445 PolarHBondContact NZ-O 3.47Å; K380-L447 HydrophobicContact CB-CD1 4.08Å; K380-L447 HydrophobicContact CG-CD1 4.08Å; K380-M450 HydrophobicContact CD-SD 3.75Å; K380-M450 PolarHBondContact NZ-SD 3.21Å |
| 381 | A | 88.6 | Confident | 78.7 | Confident | 46 Ų | 46 | 59.6 Ų | 59.6 | 38% | 0.38 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L377 S383 L384 S385 L447 | L377-A381 WeakPolarHBondContact O-CB 3.31Å; L377-A381 PolarHBondContact O-N 2.94Å; A381-S383 VanDerWaalsContact C-N 3.31Å; A381-S383 PolarHBondContact O-N 2.83Å; A381-L384 PolarHBondContact O-N 3.46Å; A381-L384 VanDerWaalsContact O-N 3.16Å; A381-S385 PolarHBondContact O-N 3.11Å; A381-S385 VanDerWaalsContact O-N 3.11Å; A381-L447 HydrophobicContact CB-CD1 3.86Å |
| 382 | V | 89.4 | Confident | 75.9 | Confident | 53 Ų | 53 | 61.6 Ų | 61.6 | 32% | 0.321 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.1 | -36.6 | 176.4 | 172.4 | 0 | 0 | 0 | 0 | 112 | K378 M379 L384 S385 Q386 | K378-V382 WeakPolarHBondContact O-CG2 3.27Å; K378-V382 PolarHBondContact O-N 3.05Å; M379-V382 PolarHBondContact O-N 3.46Å; V382-L384 VanDerWaalsContact C-N 3.27Å; V382-L384 PolarHBondContact O-N 3.32Å; V382-S385 PolarHBondContact O-N 2.99Å; V382-S385 PolarHBondContact O-OG 3.44Å; V382-S385 VanDerWaalsContact O-OG 3.09Å; V382-Q386 WeakPolarHBondContact O-CG 3.21Å; V382-Q386 PolarHBondContact O-N 2.76Å |
| 383 | S | 87.2 | Confident | 72.9 | Confident | 53 Ų | 53 | 66.7 Ų | 66.7 | 37% | 0.371 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.2 | -28.3 | 176.3 | -166.4 | 0 | 0 | 0 | 0 | 113 | M379 K380 A381 | M379-S383 WeakPolarHBondContact O-CB 3.41Å; M379-S383 PolarHBondContact O-N 3.24Å; K380-S383 PolarHBondContact O-N 2.97Å; A381-S383 VanDerWaalsContact C-N 3.31Å; A381-S383 PolarHBondContact O-N 2.83Å |
| 384 | L | 83.4 | Confident | 69.7 | Low | 104 Ų | 104 | 73 Ų | 73 | 55% | 0.545 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -78.6 | -42.1 | 176 | -70.7 | 166.7 | 0 | 0 | 0 | 111.6 | K380 A381 V382 Q386 S387 L447 | K380-L384 WeakPolarHBondContact O-CG 3.44Å; K380-L384 PolarHBondContact O-N 2.98Å; K380-L384 VanDerWaalsContact O-N 3.12Å; A381-L384 PolarHBondContact O-N 3.46Å; A381-L384 VanDerWaalsContact O-N 3.16Å; V382-L384 VanDerWaalsContact C-N 3.27Å; V382-L384 PolarHBondContact O-N 3.32Å; L384-Q386 PolarHBondContact O-N 3.39Å; L384-S387 WeakPolarHBondContact O-CB 3.43Å; L384-S387 PolarHBondContact O-N 3.18Å; L384-L447 HydrophobicContact CD1-CB 4.07Å; L384-L447 HydrophobicContact CD1-CD1 4.18Å |
| 385 | S | 76.3 | Confident | 66.6 | Low | 63 Ų | 63 | 80 Ų | 80 | 44% | 0.441 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 179.5 | 67.3 | 0 | 0 | 0 | 0 | 112.5 | A381 V382 S387 A388 E389 | A381-S385 PolarHBondContact O-N 3.11Å; A381-S385 VanDerWaalsContact O-N 3.11Å; V382-S385 PolarHBondContact O-N 2.99Å; V382-S385 PolarHBondContact O-OG 3.44Å; V382-S385 VanDerWaalsContact O-OG 3.09Å; S385-S387 PolarHBondContact O-N 3.09Å; S385-A388 WeakPolarHBondContact O-CB 3.43Å; S385-A388 PolarHBondContact O-N 3.13Å; S385-A388 VanDerWaalsContact O-N 3.08Å; S385-E389 PolarHBondContact O-N 3.2Å |
| 386 | Q | 67.8 | Low | 63.9 | Low | 91 Ų | 91 | 80.3 Ų | 80.3 | 43% | 0.425 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.4 | -24.1 | 177.9 | -70.3 | -179.9 | -5.3 | 0 | 0 | 113.4 | V382 L384 A388 | V382-Q386 WeakPolarHBondContact O-CG 3.21Å; V382-Q386 PolarHBondContact O-N 2.76Å; L384-Q386 PolarHBondContact O-N 3.39Å; Q386-A388 VanDerWaalsContact C-N 3.32Å |
| 387 | S | 58.4 | Low | 60.7 | Low | 100 Ų | 100 | 83.5 Ų | 83.5 | 70% | 0.699 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -77.5 | -16.5 | 175.3 | -162.9 | 0 | 0 | 0 | 0 | 113.4 | L384 S385 | L384-S387 WeakPolarHBondContact O-CB 3.43Å; L384-S387 PolarHBondContact O-N 3.18Å; S385-S387 PolarHBondContact O-N 3.09Å |
| 388 | A | 47.8 | Very low | 57.5 | Low | 74 Ų | 74 | 89.7 Ų | 89.7 | 61% | 0.612 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -88.1 | -39.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S385 Q386 G390 G391 | S385-A388 WeakPolarHBondContact O-CB 3.43Å; S385-A388 PolarHBondContact O-N 3.13Å; S385-A388 VanDerWaalsContact O-N 3.08Å; Q386-A388 VanDerWaalsContact C-N 3.32Å; A388-G390 VanDerWaalsContact C-N 3.29Å; A388-G390 PolarHBondContact O-N 2.88Å; A388-G391 PolarHBondContact O-N 3.04Å |
| 389 | E | 46.7 | Very low | 54.7 | Low | 165 Ų | 165 | 90.3 Ų | 90.3 | 77% | 0.771 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.4 | -22.1 | -178.2 | -65.7 | -175.5 | 146.1 | 0 | 0 | 113.6 | S385 G391 | S385-E389 PolarHBondContact O-N 3.2Å; E389-G391 PolarHBondContact O-N 3.49Å; E389-G391 VanDerWaalsContact O-N 3.16Å |
| 390 | G | 43 | Very low | 51.7 | Low | 76 Ų | 76 | 93.9 Ų | 93.9 | 78% | 0.784 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -2.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115 | A388 | A388-G390 VanDerWaalsContact C-N 3.29Å; A388-G390 PolarHBondContact O-N 2.88Å |
| 391 | G | 36.5 | Very low | 48.9 | Very low | 68 Ų | 68 | 97 Ų | 97 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 20.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | A388 E389 | A388-G391 PolarHBondContact O-N 3.04Å; E389-G391 PolarHBondContact O-N 3.49Å; E389-G391 VanDerWaalsContact O-N 3.16Å |
| 392 | S | 35.4 | Very low | 45.8 | Very low | 107 Ų | 107 | 104.6 Ų | 104.6 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -137.3 | 131 | 178.8 | -154.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 393 | S | 32.4 | Very low | 43 | Very low | 106 Ų | 106 | 108.4 Ų | 108.4 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | trans | -11.4 | 135.2 | 176.9 | 58.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 394 | C | 27.2 | Very low | 40 | Very low | 137 Ų | 137 | 108.5 Ų | 108.5 | 93% | 0.926 | 75% | 0.745 | S | S | * | * | -165.6 | 158.5 | 121.3 | -115.5 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 395 | Q | 28.4 | Very low | 37.1 | Very low | 185 Ų | 185 | 114 Ų | 114 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -86.1 | 161.9 | 176.2 | -84.9 | -172.7 | -17.2 | 0 | 0 | 113.1 | ||||
| 396 | P | 34.8 | Very low | 34.7 | Very low | 135 Ų | 135 | 122.9 Ų | 122.9 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -80.6 | 122.8 | 175.6 | 32 | -33.6 | 0 | 0 | 0 | 112.5 | ||||
| 397 | G | 26.3 | Very low | 32.6 | Very low | 69 Ų | 69 | 125.2 Ų | 125.2 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | -176 | 138 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 398 | S | 26.9 | Very low | 31.3 | Very low | 135 Ų | 135 | 123.8 Ų | 123.8 | 94% | 0.944 | 81% | 0.805 | S | S | * | * | trans | 54.9 | 120.5 | 171.1 | -66.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 399 | G | 32.2 | Very low | 30.5 | Very low | 86 Ų | 86 | 125.5 Ų | 125.5 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | trans | -94.2 | 136.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 400 | A | 27 | Very low | 30.2 | Very low | 103 Ų | 103 | 120.6 Ų | 120.6 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | -137.9 | 141 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 401 | G | 31.6 | Very low | 29.6 | Very low | 82 Ų | 82 | 119.9 Ų | 119.9 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -81.3 | 128 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 402 | F | 23.8 | Very low | 29.9 | Very low | 204 Ų | 204 | 120.6 Ų | 120.6 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | trans | -130.3 | 120.8 | 164.6 | -153.7 | -96.9 | 0 | 0 | 0 | 110.2 | G404 | F402-G404 PolarHBondContact O-N 2.85Š| ||
| 403 | V | 29.2 | Very low | 30.2 | Very low | 133 Ų | 133 | 118.3 Ų | 118.3 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | -87.6 | 75.1 | -171.4 | -174.4 | 0 | 0 | 0 | 0 | 110.3 | Y405 | V403-Y405 PolarHBondContact O-N 2.7Š| ||
| 404 | G | 24.8 | Very low | 30.6 | Very low | 56 Ų | 56 | 114.9 Ų | 114.9 | 58% | 0.577 | 74% | 0.735 | S | S | * | * | trans | -75.1 | 117 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F402 R406 | F402-G404 PolarHBondContact O-N 2.85Å; G404-R406 PolarHBondContact O-N 3.46Å; G404-R406 VanDerWaalsContact O-N 3.14Å | ||
| 405 | Y | 23.4 | Very low | 31 | Very low | 218 Ų | 218 | 113 Ų | 113 | 86% | 0.855 | 72% | 0.721 | S | S | * | * | trans | -66 | 107.6 | 172.4 | -85.1 | -107.4 | 0 | 0 | 0 | 110.5 | V403 V407 | V403-Y405 PolarHBondContact O-N 2.7Å; Y405-V407 PolarHBondContact O-N 3.44Å | ||
| 406 | R | 24.4 | Very low | 31.4 | Very low | 250 Ų | 250 | 109.9 Ų | 109.9 | 94% | 0.943 | 72% | 0.719 | S | S | * | * | trans | -73.1 | 104.8 | 171.5 | -74.3 | -165.5 | -179.5 | -152.5 | 1.7 | 111 | G404 | G404-R406 PolarHBondContact O-N 3.46Å; G404-R406 VanDerWaalsContact O-N 3.14Å | ||
| 407 | V | 24.8 | Very low | 31.5 | Very low | 141 Ų | 141 | 109.2 Ų | 109.2 | 86% | 0.855 | 70% | 0.704 | S | S | * | * | trans | -63.9 | 132.3 | 156.8 | 178.3 | 0 | 0 | 0 | 0 | 108.2 | Y405 S409 | Y405-V407 PolarHBondContact O-N 3.44Å; V407-S409 PolarHBondContact O-N 2.71Å | ||
| 408 | G | 29.8 | Very low | 31.6 | Very low | 70 Ų | 70 | 111 Ų | 111 | 72% | 0.722 | 70% | 0.704 | S | S | * | * | trans | -90.6 | 89.6 | -165 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 409 | S | 31.6 | Very low | 31.8 | Very low | 109 Ų | 109 | 113 Ų | 113 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | trans | -175.7 | 160.9 | 157.4 | -88 | 0 | 0 | 0 | 0 | 110.6 | V407 | V407-S409 PolarHBondContact O-N 2.71Š| ||
| 410 | P | 39.7 | Very low | 31.8 | Very low | 63 Ų | 63 | 114.2 Ų | 114.2 | 41% | 0.409 | 70% | 0.697 | S | S | . | * | cis | -111.5 | 163.8 | 3.3 | 39 | -28.8 | 0 | 0 | 0 | 113.7 | M379 | M379-P410 HydrophobicContact CE-CB 4.43Š| ||
| 411 | G | 31.4 | Very low | 32 | Very low | 61 Ų | 61 | 118.3 Ų | 118.3 | 63% | 0.629 | 70% | 0.699 | S | S | * | * | trans | -172.1 | 18.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | S413 | G411-S413 PolarHBondContact O-N 3.08Š| ||
| 412 | L | 42.5 | Very low | 31.8 | Very low | 82 Ų | 82 | 118.8 Ų | 118.8 | 43% | 0.429 | 70% | 0.695 | S | S | . | * | trans | -78.2 | 75.4 | -175.8 | -60.3 | -178.6 | 0 | 0 | 0 | 111.4 | W283 | W283-L412 HydrophobicContact CD2-CD2 4.21Å; W283-L412 HydrophobicContact CE3-CD2 4.37Å; W283-L412 HydrophobicContact CH2-CB 4.06Å; W283-L412 HydrophobicContact CH2-CD2 4.06Å; W283-L412 HydrophobicContact CZ2-CB 4.03Å; W283-L412 HydrophobicContact CZ2-CD2 3.87Å; W283-L412 HydrophobicContact CZ2-CG 4.41Å; W283-L412 HydrophobicContact CZ3-CD2 4.3Å | ||
| 413 | S | 42.7 | Very low | 32 | Very low | 59 Ų | 59 | 113.7 Ų | 113.7 | 41% | 0.413 | 69% | 0.691 | S | S | . | * | trans | -123.3 | 131.9 | 156.2 | -43.9 | 0 | 0 | 0 | 0 | 106.2 | K327 G411 | K327-S413 PolarHBondContact NZ-OG 3.45Å; G411-S413 PolarHBondContact O-N 3.08Å | ||
| 414 | P | 41.1 | Very low | 32.6 | Very low | 35 Ų | 35 | 116 Ų | 116 | 23% | 0.227 | 70% | 0.698 | C | S | . | * | trans | -58.3 | 152.4 | 156.2 | 28.5 | -33.1 | 0 | 0 | 0 | 108.5 | F282 Y293 | F282-P414 HydrophobicContact CZ-CB 4.24Å; Y293-P414 HydrophobicContact CD1-CG 4.23Å; Y293-P414 HydrophobicContact CE1-CG 4.16Å | ||
| 415 | P | 35.4 | Very low | 32.8 | Very low | 98 Ų | 98 | 116.3 Ų | 116.3 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | trans | -52.1 | 146 | 167.3 | -23.3 | 34 | 0 | 0 | 0 | 110.2 | E417 | P415-E417 PolarHBondContact O-N 3.03Å; P415-E417 VanDerWaalsContact O-N 3.07Å | ||
| 416 | S | 35.7 | Very low | 33.4 | Very low | 118 Ų | 118 | 114.1 Ų | 114.1 | 83% | 0.825 | 70% | 0.702 | S | S | * | * | trans | -63.6 | 109.8 | 165.9 | 49.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 417 | E | 36.5 | Very low | 33.6 | Very low | 121 Ų | 121 | 106.4 Ų | 106.4 | 57% | 0.565 | 69% | 0.691 | S | S | * | * | trans | -55.4 | 126.3 | 174.7 | -71.7 | -174.1 | 131.2 | 0 | 0 | 108.8 | G291 P415 L419 | G291-E417 PolarHBondContact N-OE1 3.29Å; P415-E417 PolarHBondContact O-N 3.03Å; P415-E417 VanDerWaalsContact O-N 3.07Å; E417-L419 PolarHBondContact O-N 3.49Å | ||
| 418 | P | 29.3 | Very low | 34 | Very low | 108 Ų | 108 | 104.9 Ų | 104.9 | 70% | 0.701 | 69% | 0.687 | S | S | * | * | trans | -65.3 | 132.4 | 171.8 | 27.7 | -32.6 | 0 | 0 | 0 | 108.6 | S420 | P418-S420 PolarHBondContact O-N 2.7Å; P418-S420 PolarHBondContact O-OG 3.13Å | ||
| 419 | L | 30.5 | Very low | 34 | Very low | 176 Ų | 176 | 109.5 Ų | 109.5 | 92% | 0.921 | 69% | 0.689 | S | S | * | * | trans | -54.7 | 107.3 | 169.7 | -74.1 | 167.3 | 0 | 0 | 0 | 108 | E417 E421 | E417-L419 PolarHBondContact O-N 3.49Å; L419-E421 PolarHBondContact O-N 3.24Å | ||
| 420 | S | 33.4 | Very low | 34 | Very low | 111 Ų | 111 | 112.7 Ų | 112.7 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | trans | -70.7 | 117.9 | -171.7 | -65.4 | 0 | 0 | 0 | 0 | 109.7 | P418 | P418-S420 PolarHBondContact O-N 2.7Å; P418-S420 PolarHBondContact O-OG 3.13Å | ||
| 421 | E | 29.5 | Very low | 33.7 | Very low | 189 Ų | 189 | 119.4 Ų | 119.4 | 88% | 0.883 | 72% | 0.723 | S | S | * | * | trans | -55.6 | 143.1 | 169.2 | -68.1 | -173 | 123.4 | 0 | 0 | 110.1 | L419 A423 | L419-E421 PolarHBondContact O-N 3.24Å; E421-A423 PolarHBondContact O-N 2.99Å | ||
| 422 | A | 28.2 | Very low | 33.5 | Very low | 92 Ų | 92 | 121.2 Ų | 121.2 | 76% | 0.76 | 73% | 0.732 | S | S | * | * | trans | -64.6 | 104.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L424 | A422-L424 PolarHBondContact O-N 3.33Š| ||
| 423 | A | 28.8 | Very low | 32.9 | Very low | 98 Ų | 98 | 121.7 Ų | 121.7 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | trans | -69.1 | 95.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | E421 G425 | E421-A423 PolarHBondContact O-N 2.99Å; A423-G425 PolarHBondContact O-N 2.9Å | ||
| 424 | L | 40.1 | Very low | 32.1 | Very low | 182 Ų | 182 | 122.5 Ų | 122.5 | 95% | 0.953 | 77% | 0.774 | S | S | * | * | trans | -63.4 | 95 | 172.8 | -70.9 | 168.3 | 0 | 0 | 0 | 110.1 | A422 | A422-L424 PolarHBondContact O-N 3.33Š| ||
| 425 | G | 29.4 | Very low | 31.4 | Very low | 61 Ų | 61 | 125.6 Ų | 125.6 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | trans | -153.5 | 83.1 | -172 | 0 | 0 | 0 | 0 | 0 | 113.5 | A423 A427 | A423-G425 PolarHBondContact O-N 2.9Å; G425-A427 PolarHBondContact O-N 2.95Å | ||
| 426 | I | 37.6 | Very low | 31 | Very low | 173 Ų | 173 | 124.6 Ų | 124.6 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | -11.8 | 100.3 | 170.5 | -49.7 | 173.9 | 0 | 0 | 0 | 115.4 | ||||
| 427 | A | 27.7 | Very low | 30.7 | Very low | 87 Ų | 87 | 124.7 Ų | 124.7 | 72% | 0.719 | 81% | 0.809 | S | S | * | * | trans | -146.5 | 40.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G425 H429 | G425-A427 PolarHBondContact O-N 2.95Å; A427-H429 PolarHBondContact O-N 2.82Å | ||
| 428 | S | 32.4 | Very low | 30.6 | Very low | 110 Ų | 110 | 124 Ų | 124 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | -82.1 | 69.9 | -168.1 | 56.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 429 | H | 30.7 | Very low | 31.1 | Very low | 167 Ų | 167 | 125.4 Ų | 125.4 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -165.1 | 63.7 | 160.7 | 57.9 | -84 | 0 | 0 | 0 | 114.6 | A427 | A427-H429 PolarHBondContact O-N 2.82Š|
| 430 | L | 30.7 | Very low | 31.5 | Very low | 176 Ų | 176 | 124.9 Ų | 124.9 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -164.1 | 34.8 | 156.1 | -112.1 | 172.1 | 0 | 0 | 0 | 113.1 | ||
| 431 | Q | 34.3 | Very low | 31.9 | Very low | 204 Ų | 204 | 128.8 Ų | 128.8 | 95% | 0.953 | 81% | 0.806 | S | S | * | * | trans | -120.4 | 76.3 | -172.5 | -159 | 166.8 | 16.3 | 0 | 0 | 110.8 | ||||
| 432 | A | 27.8 | Very low | 32.9 | Very low | 99 Ų | 99 | 123.5 Ų | 123.5 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -126.8 | 127.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 433 | G | 29 | Very low | 34.4 | Very low | 92 Ų | 92 | 123.3 Ų | 123.3 | 95% | 0.948 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 71.2 | 63.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 434 | G | 25.8 | Very low | 36.3 | Very low | 75 Ų | 75 | 123.4 Ų | 123.4 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -152.9 | 91.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G436 | G434-G436 PolarHBondContact O-N 3.31Š| ||
| 435 | A | 27.1 | Very low | 38.2 | Very low | 101 Ų | 101 | 116.5 Ų | 116.5 | 84% | 0.835 | 73% | 0.728 | S | S | * | * | trans | -64.1 | 128.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109 | C437 | A435-C437 PolarHBondContact O-N 3.5Å; A435-C437 VanDerWaalsContact O-N 3.08Å | ||
| 436 | G | 26.6 | Very low | 40.9 | Very low | 76 Ų | 76 | 117.7 Ų | 117.7 | 78% | 0.784 | 73% | 0.725 | S | S | * | * | trans | -67.4 | 109.3 | -180 | 0 | 0 | 0 | 0 | 0 | 110.6 | G434 P438 | G434-G436 PolarHBondContact O-N 3.31Å; G436-P438 VanDerWaalsContact O-CD 3.27Å; G436-P438 WeakPolarHBondContact O-CD 3.47Å | ||
| 437 | C | 28.5 | Very low | 43.3 | Very low | 121 Ų | 121 | 111.6 Ų | 111.6 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | trans | -63 | 116.3 | 159.7 | -65.3 | 0 | 0 | 0 | 0 | 107.4 | A435 W439 | A435-C437 PolarHBondContact O-N 3.5Å; A435-C437 VanDerWaalsContact O-N 3.08Å; C437-W439 PolarHBondContact O-N 3.1Å | ||
| 438 | P | 35 | Very low | 46.2 | Very low | 106 Ų | 106 | 111.6 Ų | 111.6 | 69% | 0.688 | 69% | 0.686 | S | S | * | * | trans | -61.9 | 130.6 | 166.2 | 28.1 | -32.2 | 0 | 0 | 0 | 107.3 | G436 E440 | G436-P438 VanDerWaalsContact O-CD 3.27Å; G436-P438 WeakPolarHBondContact O-CD 3.47Å; P438-E440 VanDerWaalsContact C-N 3.34Å; P438-E440 PolarHBondContact O-N 3.08Å | ||
| 439 | W | 40.2 | Very low | 48.9 | Very low | 138 Ų | 138 | 108.5 Ų | 108.5 | 52% | 0.523 | 67% | 0.668 | S | S | . | * | trans | -64.4 | 102.8 | 162.4 | 172.1 | -77.1 | 0 | 0 | 0 | 106 | H294 R331 C437 | H294-W439 AromaticContact CE1-CE3 3.98Å; R331-W439 HydrophobicContact CB-CH2 4.47Å; C437-W439 PolarHBondContact O-N 3.1Å | ||
| 440 | E | 37.8 | Very low | 51.7 | Low | 164 Ų | 164 | 100.6 Ų | 100.6 | 77% | 0.766 | 63% | 0.631 | S | S | * | * | trans | -59.8 | 151.3 | -179.6 | -73.1 | -170.9 | 124.5 | 0 | 0 | 110.9 | P438 W442 | P438-E440 VanDerWaalsContact C-N 3.34Å; P438-E440 PolarHBondContact O-N 3.08Å; E440-W442 PolarHBondContact O-N 3.48Å | ||
| 441 | E | 42.5 | Very low | 54.6 | Low | 194 Ų | 194 | 95.7 Ų | 95.7 | 91% | 0.907 | 60% | 0.601 | S | S | * | * | trans | -73.4 | 75 | -178.2 | -168 | 166.9 | -162.7 | 0 | 0 | 110.2 | S443 | E441-S443 PolarHBondContact O-N 2.89Š| ||
| 442 | W | 51.7 | Low | 57.3 | Low | 78 Ų | 78 | 91.6 Ų | 91.6 | 30% | 0.295 | 58% | 0.584 | S | S | . | * | trans | -59.6 | 107.4 | -173.9 | -178.7 | 76.8 | 0 | 0 | 0 | 111.1 | E330 R331 F334 E440 P444 | E330-W442 HydrophobicContact CG-CH2 3.49Å; E330-W442 VanDerWaalsContact CG-CH2 3.49Å; E330-W442 HydrophobicContact CG-CZ2 4.2Å; E330-W442 HydrophobicContact CG-CZ3 4.13Å; R331-W442 HydrophobicContact CG-CE3 4.29Å; F334-W442 HydrophobicContact CD1-CZ2 4.44Å; E440-W442 PolarHBondContact O-N 3.48Å; W442-P444 HydrophobicContact CZ3-CB 4.32Å | ||
| 443 | S | 58.1 | Low | 60.4 | Low | 87 Ų | 87 | 90.2 Ų | 90.2 | 61% | 0.608 | 56% | 0.561 | S | S | * | * | trans | -74.8 | 132.5 | -177 | 64 | 0 | 0 | 0 | 0 | 111.3 | E441 V445 | E441-S443 PolarHBondContact O-N 2.89Å; S443-V445 PolarHBondContact O-N 3.48Å | ||
| 444 | P | 68.4 | Low | 63.4 | Low | 101 Ų | 101 | 85.8 Ų | 85.8 | 66% | 0.656 | 52% | 0.516 | S | S | * | . | trans | -75.1 | 100 | -174.5 | 28.8 | -34.5 | 0 | 0 | 0 | 111.5 | W442 | W442-P444 HydrophobicContact CZ3-CB 4.32Š| ||
| 445 | V | 81.2 | Confident | 66.6 | Low | 36 Ų | 36 | 86.4 Ų | 86.4 | 22% | 0.218 | 50% | 0.495 | C | S | . | . | trans | -55.7 | 131.6 | 178.7 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | F334 K380 S443 A449 M450 | F334-V445 HydrophobicContact CE1-CB 4.34Å; F334-V445 HydrophobicContact CE1-CG2 4.05Å; F334-V445 HydrophobicContact CZ-CG1 4.49Å; K380-V445 WeakPolarHBondContact CE-O 3.48Å; K380-V445 PolarHBondContact NZ-O 3.47Å; S443-V445 PolarHBondContact O-N 3.48Å; V445-A449 HydrophobicContact CG1-CB 4.01Å; V445-M450 HydrophobicContact CB-CE 4.45Å; V445-M450 HydrophobicContact CG1-CB 4.19Å | ||
| 446 | P | 86.1 | Confident | 69.7 | Low | 87 Ų | 87 | 86 Ų | 86 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | trans | -57.5 | 142.8 | 177.2 | -26.8 | 35.4 | 0 | 0 | 0 | 113.1 | A449 M450 | P446-A449 PolarHBondContact O-N 3.23Å; P446-A449 VanDerWaalsContact O-N 3.14Å; P446-M450 WeakPolarHBondContact O-CB 3.48Å; P446-M450 PolarHBondContact O-N 2.93Å | ||
| 447 | L | 87.9 | Confident | 72.7 | Confident | 44 Ų | 44 | 83.9 Ų | 83.9 | 23% | 0.23 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -55.4 | -39.6 | -177.4 | -176 | 148.6 | 0 | 0 | 0 | 114.2 | K380 A381 L384 Y451 | K380-L447 HydrophobicContact CB-CD1 4.08Å; K380-L447 HydrophobicContact CG-CD1 4.08Å; A381-L447 HydrophobicContact CB-CD1 3.86Å; L384-L447 HydrophobicContact CD1-CB 4.07Å; L384-L447 HydrophobicContact CD1-CD1 4.18Å; L447-Y451 WeakPolarHBondContact O-CB 3.45Å; L447-Y451 PolarHBondContact O-N 3.18Å |
| 448 | P | 87.6 | Confident | 75.7 | Confident | 87 Ų | 87 | 78.5 Ų | 78.5 | 57% | 0.565 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.4 | -41.8 | 176.2 | -24.1 | 35.5 | 0 | 0 | 0 | 113.5 | Y451 I452 | P448-Y451 PolarHBondContact O-N 3.05Å; P448-I452 VanDerWaalsContact O-CG1 3.31Å; P448-I452 WeakPolarHBondContact O-CG1 3.18Å; P448-I452 PolarHBondContact O-N 2.78Å |
| 449 | A | 89.2 | Confident | 78.3 | Confident | 46 Ų | 46 | 74.4 Ų | 74.4 | 38% | 0.38 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.5 | -45.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111 | V445 P446 Y451 I452 E453 | V445-A449 HydrophobicContact CG1-CB 4.01Å; P446-A449 PolarHBondContact O-N 3.23Å; P446-A449 VanDerWaalsContact O-N 3.14Å; A449-Y451 VanDerWaalsContact C-N 3.3Å; A449-Y451 PolarHBondContact O-N 3.49Å; A449-I452 PolarHBondContact O-N 3.46Å; A449-E453 PolarHBondContact O-N 3.38Å |
| 450 | M | 90.1 | Very high | 80.6 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -57.1 | -40.6 | 173.2 | 175.3 | 170.2 | -84.2 | 0 | 0 | 112 | E330 F334 L376 L377 K380 V445 P446 L454 | E330-M450 HydrophobicContact CG-CE 4.1Å; F334-M450 HydrophobicContact CD1-CE 3.61Å; F334-M450 HydrophobicContact CD2-CE 3.91Å; F334-M450 HydrophobicContact CD2-CG 4.27Å; F334-M450 HydrophobicContact CE1-CE 3.59Å; F334-M450 HydrophobicContact CE2-CB 4.34Å; F334-M450 HydrophobicContact CE2-CE 3.89Å; F334-M450 HydrophobicContact CE2-CG 3.76Å; F334-M450 HydrophobicContact CG-CE 3.78Å; F334-M450 HydrophobicContact CZ-CB 4.28Å; F334-M450 HydrophobicContact CZ-CE 3.73Å; F334-M450 HydrophobicContact CZ-CG 4.09Å; L376-M450 HydrophobicContact CD2-CE 4.43Å; L376-M450 HydrophobicContact CD2-SD 4.12Å; L376-M450 HydrophobicContact CG-SD 4.32Å; L377-M450 HydrophobicContact CD2-CG 4.19Å; K380-M450 HydrophobicContact CD-SD 3.75Å; K380-M450 PolarHBondContact NZ-SD 3.21Å; V445-M450 HydrophobicContact CB-CE 4.45Å; V445-M450 HydrophobicContact CG1-CB 4.19Å; P446-M450 WeakPolarHBondContact O-CB 3.48Å; P446-M450 PolarHBondContact O-N 2.93Å; M450-L454 HydrophobicContact CG-CD1 3.66Å; M450-L454 WeakPolarHBondContact O-CB 3.27Å; M450-L454 WeakPolarHBondContact O-CD1 3.04Å; M450-L454 WeakPolarHBondContact O-CG 3.23Å; M450-L454 PolarHBondContact O-N 3.04Å |
| 451 | Y | 91.9 | Very high | 83 | Confident | 73 Ų | 73 | 68 Ų | 68 | 29% | 0.286 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 175 | -178 | -93.3 | 0 | 0 | 0 | 112.6 | L377 L447 P448 A449 L454 Y455 L462 F466 | L377-Y451 HydrophobicContact CD1-CD2 3.99Å; L377-Y451 HydrophobicContact CD2-CD2 4.38Å; L447-Y451 WeakPolarHBondContact O-CB 3.45Å; L447-Y451 PolarHBondContact O-N 3.18Å; P448-Y451 PolarHBondContact O-N 3.05Å; A449-Y451 VanDerWaalsContact C-N 3.3Å; A449-Y451 PolarHBondContact O-N 3.49Å; Y451-L454 PolarHBondContact O-N 3.08Å; Y451-Y455 AromaticContact CE1-CD2 3.87Å; Y451-Y455 HydrophobicContact CE1-CD2 3.87Å; Y451-Y455 AromaticContact CZ-CD2 3.92Å; Y451-Y455 WeakPolarHBondContact O-CB 3.32Å; Y451-Y455 PolarHBondContact O-N 3.46Å; Y451-L462 HydrophobicContact CE2-CD2 4.26Å; Y451-F466 HydrophobicContact CE2-CD2 4.33Å; Y451-F466 HydrophobicContact CE2-CE2 4.25Å |
| 452 | I | 91.3 | Very high | 85.3 | Confident | 119 Ų | 119 | 58.8 Ų | 58.8 | 61% | 0.61 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.5 | -44.4 | 179.4 | -68.7 | 162.3 | 0 | 0 | 0 | 111.1 | P448 A449 Y455 S456 | P448-I452 VanDerWaalsContact O-CG1 3.31Å; P448-I452 WeakPolarHBondContact O-CG1 3.18Å; P448-I452 PolarHBondContact O-N 2.78Å; A449-I452 PolarHBondContact O-N 3.46Å; I452-Y455 WeakPolarHBondContact O-CB 3.48Å; I452-Y455 PolarHBondContact O-N 3.26Å; I452-S456 PolarHBondContact O-N 2.84Å; I452-S456 VanDerWaalsContact O-N 3.16Å |
| 453 | E | 92.3 | Very high | 86.9 | Confident | 69 Ų | 69 | 56 Ų | 56 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 176.2 | -173.6 | 177.1 | 172.5 | 0 | 0 | 111.5 | F334 A449 Y455 S456 F457 | F334-E453 VanDerWaalsContact CZ-OE2 3.23Å; F334-E453 WeakPolarHBondContact CZ-OE2 3.34Å; A449-E453 PolarHBondContact O-N 3.38Å; E453-Y455 VanDerWaalsContact C-N 3.31Å; E453-Y455 PolarHBondContact O-N 3.1Å; E453-S456 PolarHBondContact O-N 2.92Å; E453-S456 PolarHBondContact O-OG 2.93Å; E453-F457 HydrophobicContact CG-CE2 3.92Å; E453-F457 HydrophobicContact CG-CZ 4.3Å; E453-F457 WeakPolarHBondContact O-CD2 3.3Å |
| 454 | L | 92.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.2 | -30.7 | 177.5 | -67.9 | 163.2 | 0 | 0 | 0 | 112.4 | F334 L337 V373 L377 M450 Y451 S456 F457 F458 L462 | F334-L454 HydrophobicContact CD2-CD1 4.17Å; F334-L454 HydrophobicContact CD2-CD2 4.12Å; F334-L454 HydrophobicContact CD2-CG 4.25Å; F334-L454 HydrophobicContact CE2-CD1 4.17Å; F334-L454 HydrophobicContact CE2-CD2 4.37Å; F334-L454 HydrophobicContact CE2-CG 4.09Å; L337-L454 HydrophobicContact CD2-CD2 3.49Å; L337-L454 VanDerWaalsContact CD2-CD2 3.49Å; V373-L454 HydrophobicContact CG1-CB 4.27Å; V373-L454 HydrophobicContact CG1-CD1 3.98Å; V373-L454 HydrophobicContact CG1-CD2 3.98Å; V373-L454 HydrophobicContact CG1-CG 4.3Å; V373-L454 HydrophobicContact CG2-CD2 3.76Å; L377-L454 HydrophobicContact CD1-CD1 4.14Å; L377-L454 HydrophobicContact CD2-CD1 4.23Å; L377-L454 HydrophobicContact CG-CD1 4.22Å; M450-L454 HydrophobicContact CG-CD1 3.66Å; M450-L454 WeakPolarHBondContact O-CB 3.27Å; M450-L454 WeakPolarHBondContact O-CD1 3.04Å; M450-L454 WeakPolarHBondContact O-CG 3.23Å; M450-L454 PolarHBondContact O-N 3.04Å; Y451-L454 PolarHBondContact O-N 3.08Å; L454-S456 VanDerWaalsContact C-N 3.32Å; L454-S456 PolarHBondContact O-N 3.41Å; L454-F457 PolarHBondContact O-N 2.92Å; L454-F458 HydrophobicContact CD2-CE2 4.03Å; L454-F458 WeakPolarHBondContact O-CD2 3.48Å; L454-F458 PolarHBondContact O-N 3.46Å; L454-L462 HydrophobicContact CB-CD2 3.92Å |
| 455 | Y | 92 | Very high | 88.9 | Confident | 88 Ų | 88 | 56.3 Ų | 56.3 | 35% | 0.345 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.1 | -34.8 | 172.9 | -163.4 | -77.1 | 0 | 0 | 0 | 111.9 | Y451 I452 E453 F457 F458 G459 D460 A463 | Y451-Y455 AromaticContact CE1-CD2 3.87Å; Y451-Y455 HydrophobicContact CE1-CD2 3.87Å; Y451-Y455 AromaticContact CZ-CD2 3.92Å; Y451-Y455 WeakPolarHBondContact O-CB 3.32Å; Y451-Y455 PolarHBondContact O-N 3.46Å; I452-Y455 WeakPolarHBondContact O-CB 3.48Å; I452-Y455 PolarHBondContact O-N 3.26Å; E453-Y455 VanDerWaalsContact C-N 3.31Å; E453-Y455 PolarHBondContact O-N 3.1Å; Y455-F457 VanDerWaalsContact C-N 3.26Å; Y455-F457 PolarHBondContact O-N 3.05Å; Y455-F458 PolarHBondContact O-N 3.39Å; Y455-G459 VanDerWaalsContact O-CA 3.3Å; Y455-G459 WeakPolarHBondContact O-CA 3.29Å; Y455-G459 PolarHBondContact O-N 3.5Å; Y455-D460 PolarHBondContact OH-OD1 3.36Å; Y455-A463 HydrophobicContact CE2-CB 4.12Å |
| 456 | S | 91.9 | Very high | 88.7 | Confident | 91 Ų | 91 | 58 Ų | 58 | 64% | 0.636 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -67.5 | -27.1 | -179.8 | 78.4 | 0 | 0 | 0 | 0 | 113 | I452 E453 L454 | I452-S456 PolarHBondContact O-N 2.84Å; I452-S456 VanDerWaalsContact O-N 3.16Å; E453-S456 PolarHBondContact O-N 2.92Å; E453-S456 PolarHBondContact O-OG 2.93Å; L454-S456 VanDerWaalsContact C-N 3.32Å; L454-S456 PolarHBondContact O-N 3.41Å |
| 457 | F | 90.5 | Very high | 87.6 | Confident | 33 Ų | 33 | 58.8 Ų | 58.8 | 15% | 0.145 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -84.3 | -44.1 | 173.1 | -53.1 | -50 | 0 | 0 | 0 | 113.2 | L337 W341 E453 L454 Y455 | L337-F457 HydrophobicContact CD2-CD2 3.84Å; L337-F457 HydrophobicContact CD2-CE2 4.15Å; L337-F457 HydrophobicContact CG-CD2 4.15Å; L337-F457 HydrophobicContact CG-CE2 4.22Å; W341-F457 HydrophobicContact CB-CD1 4.04Å; W341-F457 HydrophobicContact CB-CE1 4.24Å; W341-F457 AromaticContact CD1-CD1 3.55Å; W341-F457 HydrophobicContact CD2-CB 3.89Å; W341-F457 HydrophobicContact CD2-CD1 4.03Å; W341-F457 HydrophobicContact CD2-CG 4.21Å; W341-F457 HydrophobicContact CE3-CB 4.07Å; W341-F457 HydrophobicContact CG-CB 4.32Å; W341-F457 AromaticContact CG-CD1 3.54Å; W341-F457 HydrophobicContact CG-CD1 3.54Å; W341-F457 HydrophobicContact CG-CE1 4.15Å; W341-F457 HydrophobicContact CG-CG 4.11Å; W341-F457 WeakPolarHBondContact CH2-O 3.15Å; W341-F457 WeakPolarHBondContact CZ2-O 3.49Å; W341-F457 HydrophobicContact CZ3-CB 4.48Å; E453-F457 HydrophobicContact CG-CE2 3.92Å; E453-F457 HydrophobicContact CG-CZ 4.3Å; E453-F457 WeakPolarHBondContact O-CD2 3.3Å; L454-F457 PolarHBondContact O-N 2.92Å; Y455-F457 VanDerWaalsContact C-N 3.26Å; Y455-F457 PolarHBondContact O-N 3.05Å |
| 458 | F | 91.4 | Very high | 85.8 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -104.1 | -17.8 | -168.1 | -61.6 | -64.8 | 0 | 0 | 0 | 115.3 | L337 W341 Y366 I369 L370 V373 L454 Y455 S461 L462 | L337-F458 HydrophobicContact CD1-CZ 4.41Å; L337-F458 HydrophobicContact CD2-CE2 3.92Å; L337-F458 HydrophobicContact CD2-CZ 4.15Å; W341-F458 HydrophobicContact CE3-CE1 4.28Å; W341-F458 HydrophobicContact CE3-CZ 4.46Å; W341-F458 HydrophobicContact CZ3-CD1 4.22Å; W341-F458 AromaticContact CZ3-CE1 3.7Å; W341-F458 HydrophobicContact CZ3-CE1 3.7Å; W341-F458 HydrophobicContact CZ3-CZ 4.32Å; Y366-F458 HydrophobicContact CD2-CD1 4.34Å; Y366-F458 HydrophobicContact CD2-CE1 4.19Å; Y366-F458 AromaticContact CE2-CD1 3.61Å; Y366-F458 HydrophobicContact CE2-CD1 3.61Å; Y366-F458 AromaticContact CE2-CE1 3.92Å; Y366-F458 HydrophobicContact CE2-CE1 3.92Å; I369-F458 HydrophobicContact CB-CZ 4.45Å; I369-F458 HydrophobicContact CG2-CE1 4.12Å; I369-F458 HydrophobicContact CG2-CE2 4.33Å; I369-F458 HydrophobicContact CG2-CZ 3.47Å; I369-F458 VanDerWaalsContact CG2-CZ 3.47Å; L370-F458 HydrophobicContact CD1-CB 3.92Å; L370-F458 HydrophobicContact CD1-CD1 3.82Å; L370-F458 HydrophobicContact CD1-CG 3.82Å; V373-F458 HydrophobicContact CB-CE2 4.49Å; V373-F458 HydrophobicContact CG1-CD2 4.32Å; V373-F458 HydrophobicContact CG1-CE2 4.31Å; V373-F458 HydrophobicContact CG2-CE2 3.98Å; L454-F458 HydrophobicContact CD2-CE2 4.03Å; L454-F458 WeakPolarHBondContact O-CD2 3.48Å; L454-F458 PolarHBondContact O-N 3.46Å; Y455-F458 PolarHBondContact O-N 3.39Å; F458-S461 WeakPolarHBondContact O-CB 3.42Å; F458-S461 PolarHBondContact O-N 3.28Å; F458-L462 HydrophobicContact CB-CB 3.71Å; F458-L462 HydrophobicContact CB-CD2 4.49Å |
| 459 | G | 89.9 | Confident | 83.5 | Confident | 20 Ų | 20 | 59.5 Ų | 59.5 | 21% | 0.206 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | -137.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y455 S461 L462 A463 | Y455-G459 VanDerWaalsContact O-CA 3.3Å; Y455-G459 WeakPolarHBondContact O-CA 3.29Å; Y455-G459 PolarHBondContact O-N 3.5Å; G459-S461 PolarHBondContact O-N 3.37Å; G459-L462 WeakPolarHBondContact O-CB 3.49Å; G459-L462 PolarHBondContact O-N 2.99Å; G459-A463 PolarHBondContact O-N 3.17Å |
| 460 | D | 87.9 | Confident | 81.1 | Confident | 112 Ų | 112 | 63.7 Ų | 63.7 | 60% | 0.599 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61.3 | -27 | -176.4 | -59.8 | -14.2 | 0 | 0 | 0 | 113.1 | Y455 L462 A463 V464 | Y455-D460 PolarHBondContact OH-OD1 3.36Å; D460-L462 PolarHBondContact O-N 3.07Å; D460-A463 PolarHBondContact O-N 2.85Å; D460-A463 VanDerWaalsContact O-N 3.11Å; D460-V464 WeakPolarHBondContact O-CG2 3.36Å; D460-V464 PolarHBondContact O-N 3.02Å |
| 461 | S | 89.3 | Confident | 78.5 | Confident | 57 Ų | 57 | 67.1 Ų | 67.1 | 40% | 0.399 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.9 | -28.6 | 174.1 | -61.1 | 0 | 0 | 0 | 0 | 112.7 | Y366 F458 G459 R465 | Y366-S461 WeakPolarHBondContact OH-CB 3.45Å; Y366-S461 PolarHBondContact OH-OG 3.01Å; F458-S461 WeakPolarHBondContact O-CB 3.42Å; F458-S461 PolarHBondContact O-N 3.28Å; G459-S461 PolarHBondContact O-N 3.37Å; S461-R465 WeakPolarHBondContact O-CG 3.46Å |
| 462 | L | 89.5 | Confident | 75.8 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -81 | -46.1 | 171.3 | -175.4 | 63.9 | 0 | 0 | 0 | 111 | L370 V373 L377 Y451 L454 F458 G459 D460 V464 R465 F466 | L370-L462 HydrophobicContact CD1-CB 4.32Å; L370-L462 HydrophobicContact CD1-CD1 4.23Å; V373-L462 HydrophobicContact CG1-CD1 3.7Å; V373-L462 HydrophobicContact CG1-CD2 4.45Å; L377-L462 HydrophobicContact CD1-CD1 4.26Å; L377-L462 HydrophobicContact CD1-CD2 4.3Å; Y451-L462 HydrophobicContact CE2-CD2 4.26Å; L454-L462 HydrophobicContact CB-CD2 3.92Å; F458-L462 HydrophobicContact CB-CB 3.71Å; F458-L462 HydrophobicContact CB-CD2 4.49Å; G459-L462 WeakPolarHBondContact O-CB 3.49Å; G459-L462 PolarHBondContact O-N 2.99Å; D460-L462 PolarHBondContact O-N 3.07Å; L462-V464 VanDerWaalsContact C-N 3.34Å; L462-V464 PolarHBondContact O-N 3.25Å; L462-R465 WeakPolarHBondContact O-CB 3.35Å; L462-R465 PolarHBondContact O-N 3.23Å; L462-R465 VanDerWaalsContact O-N 3.08Å; L462-F466 HydrophobicContact CD1-CE2 3.77Å; L462-F466 HydrophobicContact CG-CE2 4.02Å; L462-F466 VanDerWaalsContact O-CD2 3.27Å; L462-F466 WeakPolarHBondContact O-CD2 3.45Å |
| 463 | A | 86.1 | Confident | 72.9 | Confident | 19 Ų | 19 | 71.7 Ų | 71.7 | 16% | 0.157 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -55.8 | -45.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y455 G459 D460 R465 F466 S467 | Y455-A463 HydrophobicContact CE2-CB 4.12Å; G459-A463 PolarHBondContact O-N 3.17Å; D460-A463 PolarHBondContact O-N 2.85Å; D460-A463 VanDerWaalsContact O-N 3.11Å; A463-R465 PolarHBondContact O-N 3.34Å; A463-R465 VanDerWaalsContact O-N 3.16Å; A463-F466 PolarHBondContact O-N 2.99Å; A463-S467 PolarHBondContact O-N 2.91Å; A463-S467 PolarHBondContact O-OG 3.39Å |
| 464 | V | 86.3 | Confident | 69.8 | Low | 81 Ų | 81 | 74 Ų | 74 | 49% | 0.491 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.9 | -31.1 | 179.3 | 171.3 | 0 | 0 | 0 | 0 | 112.2 | D460 L462 F466 S467 T468 | D460-V464 WeakPolarHBondContact O-CG2 3.36Å; D460-V464 PolarHBondContact O-N 3.02Å; L462-V464 VanDerWaalsContact C-N 3.34Å; L462-V464 PolarHBondContact O-N 3.25Å; V464-F466 PolarHBondContact O-N 2.68Å; V464-S467 PolarHBondContact O-N 3.13Å; V464-T468 HydrophobicContact CG1-CG2 4.11Å; V464-T468 WeakPolarHBondContact O-CB 3.21Å; V464-T468 WeakPolarHBondContact O-CG2 3.41Å; V464-T468 PolarHBondContact O-N 3.4Å; V464-T468 PolarHBondContact O-OG1 3.47Å |
| 465 | R | 81.4 | Confident | 66.8 | Low | 114 Ų | 114 | 83.9 Ų | 83.9 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.9 | -13.9 | 177.5 | -58.8 | -66.9 | 179.5 | 169.7 | -0.8 | 114.1 | L370 E374 K378 S461 L462 A463 | L370-R465 HydrophobicContact CD2-CG 4.45Å; E374-R465 HydrophobicContact CG-CB 3.92Å; E374-R465 WeakPolarHBondContact OE2-CB 3.39Å; E374-R465 WeakPolarHBondContact OE2-CD 3.49Å; K378-R465 PolarHBondContact NZ-O 2.86Å; S461-R465 WeakPolarHBondContact O-CG 3.46Å; L462-R465 WeakPolarHBondContact O-CB 3.35Å; L462-R465 PolarHBondContact O-N 3.23Å; L462-R465 VanDerWaalsContact O-N 3.08Å; A463-R465 PolarHBondContact O-N 3.34Å; A463-R465 VanDerWaalsContact O-N 3.16Å |
| 466 | F | 76.9 | Confident | 63.8 | Low | 72 Ų | 72 | 84.7 Ų | 84.7 | 32% | 0.316 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -101.5 | -38.5 | 172 | -64.2 | -83.9 | 0 | 0 | 0 | 111.6 | E374 L377 K378 Y451 L462 A463 V464 T468 | E374-F466 HydrophobicContact CG-CZ 4.34Å; L377-F466 HydrophobicContact CB-CE1 4.24Å; L377-F466 HydrophobicContact CB-CZ 3.76Å; L377-F466 HydrophobicContact CD1-CE2 4.11Å; L377-F466 HydrophobicContact CD1-CZ 3.8Å; L377-F466 HydrophobicContact CG-CZ 4.45Å; K378-F466 HydrophobicContact CD-CE1 4.26Å; K378-F466 HydrophobicContact CG-CD1 4.37Å; K378-F466 HydrophobicContact CG-CE1 3.62Å; K378-F466 HydrophobicContact CG-CZ 4.37Å; Y451-F466 HydrophobicContact CE2-CD2 4.33Å; Y451-F466 HydrophobicContact CE2-CE2 4.25Å; L462-F466 HydrophobicContact CD1-CE2 3.77Å; L462-F466 HydrophobicContact CG-CE2 4.02Å; L462-F466 VanDerWaalsContact O-CD2 3.27Å; L462-F466 WeakPolarHBondContact O-CD2 3.45Å; A463-F466 PolarHBondContact O-N 2.99Å; V464-F466 PolarHBondContact O-N 2.68Å; F466-T468 PolarHBondContact O-N 3.49Å |
| 467 | S | 63.1 | Low | 60.8 | Low | 103 Ų | 103 | 86.5 Ų | 86.5 | 72% | 0.72 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.3 | -9.6 | -179.6 | -55.1 | 0 | 0 | 0 | 0 | 115.4 | A463 V464 | A463-S467 PolarHBondContact O-N 2.91Å; A463-S467 PolarHBondContact O-OG 3.39Å; V464-S467 PolarHBondContact O-N 3.13Å |
| 468 | T | 49.8 | Very low | 57.6 | Low | 104 Ų | 104 | 91 Ų | 91 | 64% | 0.638 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | 4.9 | -175.3 | 50.6 | 0 | 0 | 0 | 0 | 114.8 | V464 F466 | V464-T468 HydrophobicContact CG1-CG2 4.11Å; V464-T468 WeakPolarHBondContact O-CB 3.21Å; V464-T468 WeakPolarHBondContact O-CG2 3.41Å; V464-T468 PolarHBondContact O-N 3.4Å; V464-T468 PolarHBondContact O-OG1 3.47Å; F466-T468 PolarHBondContact O-N 3.49Å |
| 469 | G | 40.8 | Very low | 54.5 | Low | 41 Ų | 41 | 94.9 Ų | 94.9 | 42% | 0.423 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -80.5 | 150.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G471 | G469-G471 PolarHBondContact O-N 3.26Š|
| 470 | P | 39.3 | Very low | 51.6 | Low | 134 Ų | 134 | 100 Ų | 100 | 87% | 0.87 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -58.8 | 126.8 | 165.3 | 27.3 | -33.3 | 0 | 0 | 0 | 108.6 | ||
| 471 | G | 34.9 | Very low | 48.7 | Very low | 73 Ų | 73 | 99 Ų | 99 | 75% | 0.753 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 137.9 | -158.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | G469 | G469-G471 PolarHBondContact O-N 3.26Š|
| 472 | F | 34.4 | Very low | 45.4 | Very low | 204 Ų | 204 | 101.8 Ų | 101.8 | 90% | 0.895 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 139.1 | 150.2 | -79.5 | -92.2 | 0 | 0 | 0 | 108.3 | S474 | F472-S474 PolarHBondContact O-N 2.92Š|
| 473 | A | 30.6 | Very low | 42.3 | Very low | 83 Ų | 83 | 111.3 Ų | 111.3 | 69% | 0.686 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 140 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y475 | A473-Y475 PolarHBondContact O-N 3.42Å; A473-Y475 VanDerWaalsContact O-N 3.16Å |
| 474 | S | 27 | Very low | 39.4 | Very low | 117 Ų | 117 | 119.7 Ų | 119.7 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 118.2 | 176.3 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | F472 | F472-S474 PolarHBondContact O-N 2.92Š|
| 475 | Y | 28.9 | Very low | 36.3 | Very low | 209 Ų | 209 | 124.6 Ų | 124.6 | 82% | 0.82 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 143.6 | 153.8 | -70.8 | -85.9 | 0 | 0 | 0 | 108.6 | A473 | A473-Y475 PolarHBondContact O-N 3.42Å; A473-Y475 VanDerWaalsContact O-N 3.16Å |
| 476 | P | 28.9 | Very low | 33.7 | Very low | 104 Ų | 104 | 124.2 Ų | 124.2 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -69 | 153.3 | 174.1 | 30.5 | -35.1 | 0 | 0 | 0 | 110.6 | C478 | P476-C478 PolarHBondContact O-N 3.12Š|
| 477 | P | 29 | Very low | 31.2 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 118.1 | 177.1 | 28.1 | -33.7 | 0 | 0 | 0 | 110.6 | A479 | P477-A479 PolarHBondContact O-N 2.82Š|
| 478 | C | 24.5 | Very low | 29.4 | Very low | 128 Ų | 128 | 137 Ų | 137 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 126.9 | 166 | -73.3 | 0 | 0 | 0 | 0 | 109.6 | P476 | P476-C478 PolarHBondContact O-N 3.12Š|
| 479 | A | 24.9 | Very low | 28.1 | Very low | 89 Ų | 89 | 140.5 Ų | 140.5 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 147.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | P477 A481 | P477-A479 PolarHBondContact O-N 2.82Å; A479-A481 PolarHBondContact O-N 3.13Å |
| 480 | P | 29.8 | Very low | 28.1 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 129.7 | -179.9 | 27.1 | -34.3 | 0 | 0 | 0 | 111.2 | C482 | P480-C482 PolarHBondContact O-N 3.03Š|
| 481 | A | 26.6 | Very low | 27.5 | Very low | 91 Ų | 91 | 145.6 Ų | 145.6 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -68 | 125.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | A479 F483 | A479-A481 PolarHBondContact O-N 3.13Å; A481-F483 PolarHBondContact O-N 3.11Å |
| 482 | C | 21.6 | Very low | 27.1 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 118.1 | -177.7 | 176.5 | 0 | 0 | 0 | 0 | 111.8 | P480 | P480-C482 PolarHBondContact O-N 3.03Š|
| 483 | F | 24.2 | Very low | 27.3 | Very low | 200 Ų | 200 | 141.7 Ų | 141.7 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 134.9 | 158.4 | -90.7 | -90 | 0 | 0 | 0 | 109.8 | A481 | A481-F483 PolarHBondContact O-N 3.11Š|
| 484 | K | 25.3 | Very low | 27.1 | Very low | 195 Ų | 195 | 142.5 Ų | 142.5 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 152.9 | -176.9 | -71.9 | -175.5 | 175.9 | -178.5 | 0 | 112.3 | ||
| 485 | E | 21.4 | Very low | 27.2 | Very low | 184 Ų | 184 | 142.2 Ų | 142.2 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 145.7 | -178.4 | -56.9 | 163.1 | 103.2 | 0 | 0 | 113.4 | ||
| 486 | A | 25.8 | Very low | 27.1 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | trans | -122.9 | 122.6 | 151.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 487 | R | 24.3 | Very low | 27.3 | Very low | 237 Ų | 237 | 141.5 Ų | 141.5 | 89% | 0.894 | 82% | 0.824 | S | S | * | * | trans | -101.1 | 119.3 | -157.7 | -175.4 | -174.9 | -173.1 | -171.4 | 5.4 | 112.5 | ||||
| 488 | K | 25.1 | Very low | 27.2 | Very low | 207 Ų | 207 | 142.3 Ų | 142.3 | 90% | 0.9 | 82% | 0.822 | S | S | * | * | trans | -156 | 140 | 157.5 | -132.3 | 174.2 | -177.1 | -179.3 | 0 | 113.1 | ||||
| 489 | E | 22.4 | Very low | 27.6 | Very low | 176 Ų | 176 | 143.3 Ų | 143.3 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | trans | -151.6 | 173.4 | -174.8 | -115 | -168.9 | 163 | 0 | 0 | 107.1 | ||||
| 490 | P | 42.3 | Very low | 27.7 | Very low | 103 Ų | 103 | 143 Ų | 143 | 67% | 0.669 | 82% | 0.822 | S | S | * | * | cis | -129.6 | -179 | -20.6 | 38.5 | -23.4 | 0 | 0 | 0 | 112.1 | ||||
| 491 | L | 25.9 | Very low | 28 | Very low | 180 Ų | 180 | 149 Ų | 149 | 94% | 0.942 | 83% | 0.828 | S | S | * | * | trans | 174.8 | 140.4 | 140.3 | -95 | 157.5 | 0 | 0 | 0 | 109.7 | ||||
| 492 | G | 26.4 | Very low | 28.2 | Very low | 67 Ų | 67 | 154.1 Ų | 154.1 | 69% | 0.691 | 83% | 0.833 | S | S | * | * | trans | -129.1 | -148.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 493 | P | 39.1 | Very low | 28.5 | Very low | 127 Ų | 127 | 155.9 Ų | 155.9 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | cis | -134 | -167.8 | -8.4 | 42.7 | -25.8 | 0 | 0 | 0 | 113.8 | ||||
| 494 | A | 24.8 | Very low | 29 | Very low | 100 Ų | 100 | 152.3 Ų | 152.3 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | trans | 71.1 | 158.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 495 | S | 30.9 | Very low | 29.2 | Very low | 112 Ų | 112 | 150.2 Ų | 150.2 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | cis | -137.7 | 166.9 | 11.5 | 58.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 496 | N | 26.1 | Very low | 29.6 | Very low | 153 Ų | 153 | 150.1 Ų | 150.1 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -94.2 | 148.9 | 175.1 | -61 | -19.8 | 0 | 0 | 0 | 111.7 | ||||
| 497 | T | 33.1 | Very low | 29.8 | Very low | 144 Ų | 144 | 150.6 Ų | 150.6 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | -145.7 | 110.8 | 148 | 41.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 498 | D | 27.5 | Very low | 30.1 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 78% | 0.781 | 82% | 0.816 | S | S | * | * | trans | -71.4 | 144.4 | 164.2 | -88.5 | -67.4 | 0 | 0 | 0 | 111.2 | ||||
| 499 | T | 31.9 | Very low | 30.4 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 91% | 0.914 | 81% | 0.812 | S | S | * | * | trans | -147.7 | 91.1 | 142.9 | 29.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 500 | A | 28.1 | Very low | 30.8 | Very low | 83 Ų | 83 | 140.8 Ų | 140.8 | 69% | 0.686 | 81% | 0.812 | S | S | * | * | trans | -84.2 | 141.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 501 | R | 34.8 | Very low | 30.1 | Very low | 253 Ų | 253 | 143.2 Ų | 143.2 | 96% | 0.955 | 82% | 0.82 | S | S | * | * | trans | -136.1 | 141.7 | 152.3 | -70.6 | -165.5 | 172.8 | 169.2 | 0.5 | 110 | ||||
| 502 | K | 30.8 | Very low | 30.4 | Very low | 198 Ų | 198 | 142.8 Ų | 142.8 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | trans | -106 | 161.9 | -169.1 | -70.4 | 179.2 | 176 | 177.1 | 0 | 112.4 | ||||
| 503 | M | 29.4 | Very low | 30.5 | Very low | 153 Ų | 153 | 144.8 Ų | 144.8 | 75% | 0.754 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 157.3 | 160.7 | -60.7 | 174.9 | -77.8 | 0 | 0 | 112.3 | ||
| 504 | P | 33.8 | Very low | 30.4 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 134.5 | 135.3 | 34 | -26.3 | 0 | 0 | 0 | 110.8 | ||
| 505 | Q | 30.2 | Very low | 30.6 | Very low | 150 Ų | 150 | 150.8 Ų | 150.8 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 156.1 | 156.6 | -75.7 | -169.1 | -12.5 | 0 | 0 | 108.9 | ||
| 506 | L | 30.1 | Very low | 30.6 | Very low | 182 Ų | 182 | 152.8 Ų | 152.8 | 95% | 0.953 | 82% | 0.818 | S | S | * | * | trans | -131.7 | 140.3 | 160.2 | -80.6 | 175.4 | 0 | 0 | 0 | 110.1 | ||||
| 507 | T | 30.1 | Very low | 30.7 | Very low | 116 Ų | 116 | 152.9 Ų | 152.9 | 71% | 0.712 | 82% | 0.819 | S | S | * | * | trans | -128.8 | 135.9 | -169.7 | -40.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 508 | A | 30.5 | Very low | 30.5 | Very low | 101 Ų | 101 | 149.8 Ų | 149.8 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | -149 | 137.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 509 | N | 29.6 | Very low | 30.7 | Very low | 155 Ų | 155 | 148 Ų | 148 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | -91.4 | 163.6 | -164.8 | -65.7 | -31.2 | 0 | 0 | 0 | 114.4 | ||||
| 510 | L | 31.7 | Very low | 31.3 | Very low | 158 Ų | 158 | 146.5 Ų | 146.5 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | -74 | 148.7 | 163.6 | -68.6 | 153.8 | 0 | 0 | 0 | 111.7 | ||||
| 511 | N | 28.6 | Very low | 31.4 | Very low | 154 Ų | 154 | 153 Ų | 153 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | 169.7 | 167.2 | 117.7 | -89.1 | -25.6 | 0 | 0 | 0 | 114.5 | |||||
| 512 | I | 30.3 | Very low | 31.2 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | 114.6 | 139.1 | 159.8 | -60 | 169.4 | 0 | 0 | 0 | 115.2 | ||||
| 513 | S | 30 | Very low | 31.2 | Very low | 110 Ų | 110 | 144.7 Ų | 144.7 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -97.7 | 163.8 | -163.4 | -44.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 514 | P | 37 | Very low | 31.7 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | -104.1 | 130.7 | 167.5 | 36 | -29.3 | 0 | 0 | 0 | 114.4 | ||||
| 515 | R | 28.3 | Very low | 32.4 | Very low | 229 Ų | 229 | 142.4 Ų | 142.4 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -154.3 | 152.3 | 155.9 | -73.6 | -166.7 | 177.6 | -176.6 | -0.4 | 105.8 | ||||
| 516 | Q | 30.2 | Very low | 33.5 | Very low | 155 Ų | 155 | 141 Ų | 141 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | cis | -150.3 | -176.5 | 7.7 | -146.1 | 161.5 | -19 | 0 | 0 | 110.6 | ||||
| 517 | D | 29.6 | Very low | 34.3 | Very low | 155 Ų | 155 | 137.3 Ų | 137.3 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | 77.1 | 138.3 | 166.2 | -52.1 | -28.4 | 0 | 0 | 0 | 118.8 | ||||
| 518 | G | 27.8 | Very low | 34.2 | Very low | 78 Ų | 78 | 136.5 Ų | 136.5 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | cis | -155.9 | 162.4 | -0.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 519 | S | 32.8 | Very low | 34.1 | Very low | 110 Ų | 110 | 139.7 Ų | 139.7 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -89.4 | 157.1 | -175.5 | -149.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 520 | P | 43.9 | Very low | 34 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | -145.1 | 169.8 | 75.4 | 32.8 | -12 | 0 | 0 | 0 | 115.1 | |||||
| 521 | R | 30.1 | Very low | 33.9 | Very low | 219 Ų | 219 | 134 Ų | 134 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | cis | -164.7 | 136 | -16.1 | -110.8 | 176.6 | -176.6 | 178.8 | 1.1 | 111.3 | ||||
| 522 | T | 30.8 | Very low | 34 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | 46.7 | 125.4 | 141.1 | 60.1 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 523 | D | 31.1 | Very low | 33.9 | Very low | 153 Ų | 153 | 128.7 Ų | 128.7 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -58.4 | -175.6 | 146.2 | -45.2 | -90.6 | 0 | 0 | 0 | 112.5 | ||||
| 524 | P | 40 | Very low | 33.8 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | cis | -140.7 | -173.4 | 13.3 | 42.1 | -19.6 | 0 | 0 | 0 | 116.4 | ||||
| 525 | P | 48.3 | Very low | 33.4 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | -89.4 | -173.2 | 173.2 | 38.7 | -39 | 0 | 0 | 0 | 112.5 | ||||
| 526 | P | 52.7 | Low | 33.4 | Very low | 119 Ų | 119 | 126.8 Ų | 126.8 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | cis | -127.2 | -135.4 | 2.2 | 36.5 | -12 | 0 | 0 | 0 | 110.7 | ||||
| 527 | P | 46.2 | Very low | 33.3 | Very low | 105 Ų | 105 | 124 Ų | 124 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | cis | -138.7 | 169 | -20.7 | 40.7 | -21.8 | 0 | 0 | 0 | 118.5 | ||||
| 528 | S | 28.9 | Very low | 33.3 | Very low | 100 Ų | 100 | 124.2 Ų | 124.2 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | 41.5 | 129.3 | 142.8 | 68.4 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 529 | L | 27.3 | Very low | 33.4 | Very low | 167 Ų | 167 | 124.7 Ų | 124.7 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | 135.2 | 141.4 | 132.8 | -76 | 172.3 | 0 | 0 | 0 | 116.8 | ||||
| 530 | A | 27.9 | Very low | 33.2 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | 60 | 161.2 | 161 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 531 | A | 30 | Very low | 32.4 | Very low | 90 Ų | 90 | 129.4 Ų | 129.4 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | cis | -154.5 | 172 | -31 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 532 | T | 30.6 | Very low | 32.3 | Very low | 137 Ų | 137 | 123.6 Ų | 123.6 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | cis | -159.8 | 149.4 | 38.4 | 48.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 533 | G | 27.6 | Very low | 32.3 | Very low | 77 Ų | 77 | 123 Ų | 123 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | 99.1 | 133.8 | 69.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 534 | A | 29.1 | Very low | 32.3 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | cis | -104.3 | -137.7 | -4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 535 | G | 27.5 | Very low | 32.5 | Very low | 72 Ų | 72 | 122 Ų | 122 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | cis | 155.8 | 149 | 0.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 536 | R | 29.2 | Very low | 31.4 | Very low | 239 Ų | 239 | 127.2 Ų | 127.2 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | cis | -138.5 | 132.5 | 6.7 | -76.3 | 179.9 | 178.9 | 169.2 | -0.9 | 108.2 | ||||
| 537 | S | 28.1 | Very low | 30.2 | Very low | 98 Ų | 98 | 126.4 Ų | 126.4 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | 42.7 | 128.8 | 102.2 | 82.5 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 538 | L | 30.2 | Very low | 29.2 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | cis | -149.5 | 137.3 | 31.9 | -76.9 | 167.7 | 0 | 0 | 0 | 111.3 | ||||
| 539 | A | 28.9 | Very low | 29 | Very low | 87 Ų | 87 | 132.7 Ų | 132.7 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | 81.4 | 146.9 | 94.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 540 | R | 29.2 | Very low | 29 | Very low | 236 Ų | 236 | 130.3 Ų | 130.3 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | cis | -160.4 | 170.5 | -0.6 | -131.5 | -178.1 | 177.4 | 162.9 | -1.5 | 113.8 | ||||
| 541 | S | 27.2 | Very low | 29 | Very low | 91 Ų | 91 | 130.7 Ų | 130.7 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | trans | -41.1 | 167 | 160.4 | 52.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 542 | S | 27.6 | Very low | 29 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | cis | -177.9 | -178.7 | -5.4 | 48.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 543 | S | 30 | Very low | 28.9 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | 78.3 | 142.6 | 143.9 | 42.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 544 | V | 31.9 | Very low | 29.1 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | -92.1 | -180 | 171.4 | -115.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 545 | P | 43.8 | Very low | 29 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | cis | -142.1 | -173.2 | 2.7 | 39.6 | -18.2 | 0 | 0 | 0 | 118.3 | ||||
| 546 | R | 26.3 | Very low | 29 | Very low | 227 Ų | 227 | 140.8 Ų | 140.8 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | trans | 79.8 | 107.9 | 142.9 | -90.8 | -179.4 | 176.1 | 171.6 | -0.9 | 123.7 | ||||
| 547 | S | 26.1 | Very low | 28.9 | Very low | 101 Ų | 101 | 140.5 Ų | 140.5 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | 87.9 | 155 | 116.6 | 78.2 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 548 | R | 26 | Very low | 28.9 | Very low | 237 Ų | 237 | 140.9 Ų | 140.9 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | trans | 78.2 | 162.5 | 169 | -65.3 | -175.1 | 171.4 | 177.9 | -2.4 | 119 | ||||
| 549 | S | 25.5 | Very low | 28.8 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | 169.1 | 115.2 | -67.5 | 55.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 550 | S | 27.1 | Very low | 28.7 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | 179 | 156.5 | 168.8 | 47.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 551 | S | 27.7 | Very low | 28.6 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | cis | -176.8 | 158.9 | 0.7 | 37.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 552 | S | 29.3 | Very low | 28.7 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | cis | -169.7 | -157 | -10.8 | 60.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 553 | R | 29.6 | Very low | 28.8 | Very low | 233 Ų | 233 | 141.4 Ų | 141.4 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | 70.4 | 145.1 | 175.1 | -71.8 | -176.8 | 166.3 | -174.2 | -6.1 | 117.1 | ||||
| 554 | S | 30.1 | Very low | 28.8 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | cis | 178.3 | 145.2 | -25.2 | 45.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 555 | G | 27.3 | Very low | 28.5 | Very low | 66 Ų | 66 | 143.4 Ų | 143.4 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | cis | 176.1 | -175.3 | -1.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 556 | Q | 28.5 | Very low | 27.8 | Very low | 182 Ų | 182 | 146.6 Ų | 146.6 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | 66.8 | 119.2 | 174.1 | -72 | 162.4 | -76.7 | 0 | 0 | 116.5 | ||||
| 557 | R | 26.9 | Very low | 28.1 | Very low | 234 Ų | 234 | 142 Ų | 142 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | 76.4 | 136.4 | 73.6 | -75.6 | -174.9 | -176.7 | -173.3 | 1.4 | 112.9 | |||||
| 558 | S | 28.5 | Very low | 28.4 | Very low | 106 Ų | 106 | 146.2 Ų | 146.2 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | cis | -170.5 | 157.2 | 2.9 | 41.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 559 | A | 27.8 | Very low | 28.3 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | 46.2 | 124.3 | 158.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 560 | G | 25.8 | Very low | 28.4 | Very low | 76 Ų | 76 | 145.7 Ų | 145.7 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | 120.5 | 174.3 | 69.7 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 561 | V | 27.7 | Very low | 28.3 | Very low | 147 Ų | 147 | 149.1 Ų | 149.1 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | cis | -147 | 157.6 | -8.1 | -177.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 562 | S | 29 | Very low | 28.5 | Very low | 108 Ų | 108 | 151 Ų | 151 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | trans | -98.1 | 158.8 | -173.7 | 53.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 563 | R | 30 | Very low | 28.4 | Very low | 246 Ų | 246 | 151.4 Ų | 151.4 | 93% | 0.928 | 82% | 0.819 | S | S | * | * | trans | -167.1 | 133.4 | 150.7 | -116.7 | 170.9 | -177.8 | 173.7 | 0.4 | 113.9 | ||||
| 564 | D | 30.4 | Very low | 28.7 | Very low | 154 Ų | 154 | 145.8 Ų | 145.8 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -91.3 | 149.6 | 166.9 | -65.3 | -72.1 | 0 | 0 | 0 | 111.5 | ||||
| 565 | V | 25.5 | Very low | 29.1 | Very low | 139 Ų | 139 | 150 Ų | 150 | 84% | 0.842 | 82% | 0.82 | S | S | * | * | trans | -143.6 | 125.6 | 160.7 | -177.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 566 | F | 29.4 | Very low | 29.3 | Very low | 174 Ų | 174 | 152.4 Ų | 152.4 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | trans | -90.3 | 151.8 | 169.2 | -96.5 | -82.8 | 0 | 0 | 0 | 110.3 | ||||
| 567 | P | 32.1 | Very low | 29.9 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | -142.5 | -179.3 | 94.1 | 37.7 | -22.1 | 0 | 0 | 0 | 114.5 | |||||
| 568 | K | 31.2 | Very low | 30.4 | Very low | 191 Ų | 191 | 141.3 Ų | 141.3 | 83% | 0.83 | 81% | 0.811 | S | S | * | * | trans | -136.4 | 129.1 | -172.5 | -177.1 | -179.6 | -173.1 | 174.6 | 0 | 109.7 | ||||
| 569 | A | 25.4 | Very low | 30.8 | Very low | 100 Ų | 100 | 141.1 Ų | 141.1 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | -134.7 | 155.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 570 | R | 27.8 | Very low | 31.2 | Very low | 226 Ų | 226 | 140.8 Ų | 140.8 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -125.7 | 146.7 | 167.5 | -71.2 | 176.8 | 170.8 | 170.7 | -4.1 | 107.3 | ||||
| 571 | F | 24.7 | Very low | 31.6 | Very low | 189 Ų | 189 | 144.9 Ų | 144.9 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | -174.5 | 147.5 | 119.1 | -94.8 | -62.2 | 0 | 0 | 0 | 111.5 | |||||
| 572 | I | 30.6 | Very low | 31.9 | Very low | 152 Ų | 152 | 143.1 Ų | 143.1 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | 18.6 | 132.3 | 156.6 | -60.1 | 150.2 | 0 | 0 | 0 | 119.7 | ||||
| 573 | S | 27.8 | Very low | 32.2 | Very low | 111 Ų | 111 | 146.4 Ų | 146.4 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -127.9 | 166.5 | 151.7 | 80.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 574 | P | 35.8 | Very low | 32.4 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | trans | -89.4 | 157.2 | -142.1 | 33.2 | -38 | 0 | 0 | 0 | 117 | S576 | P574-S576 PolarHBondContact O-N 2.83Š| ||
| 575 | Q | 37.8 | Very low | 32.8 | Very low | 202 Ų | 202 | 139.7 Ų | 139.7 | 94% | 0.944 | 78% | 0.782 | S | S | * | * | trans | -78.8 | 102.9 | 161.6 | -66.6 | 178.9 | -4.3 | 0 | 0 | 110.3 | ||||
| 576 | S | 31.6 | Very low | 33.4 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -169.5 | 113.8 | 150.8 | -171.4 | 0 | 0 | 0 | 0 | 109.5 | P574 | P574-S576 PolarHBondContact O-N 2.83Š| ||
| 577 | G | 42.4 | Very low | 34 | Very low | 60 Ų | 60 | 129.8 Ų | 129.8 | 62% | 0.619 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 153.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 578 | P | 37.8 | Very low | 34.5 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 150.2 | 173.9 | 28.3 | -34.9 | 0 | 0 | 0 | 111.1 | A580 | P578-A580 PolarHBondContact O-N 3.44Š|
| 579 | P | 35.7 | Very low | 35.1 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 66% | 0.662 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 124.5 | -176.5 | 26.4 | -34.3 | 0 | 0 | 0 | 111.8 | F581 | P579-F581 HydrophobicContact CB-CE2 4.25Å; P579-F581 HydrophobicContact CB-CZ 4.38Å; P579-F581 HydrophobicContact CG-CE2 3.99Å; P579-F581 HydrophobicContact CG-CZ 4.24Å |
| 580 | A | 36.9 | Very low | 35.7 | Very low | 96 Ų | 96 | 139.3 Ų | 139.3 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | trans | -86.3 | 110.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | P578 | P578-A580 PolarHBondContact O-N 3.44Š| ||
| 581 | F | 34.6 | Very low | 36.2 | Very low | 161 Ų | 161 | 131.9 Ų | 131.9 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -84.6 | 112.3 | 176.9 | -65.5 | -83.2 | 0 | 0 | 0 | 111.2 | P579 F583 | P579-F581 HydrophobicContact CB-CE2 4.25Å; P579-F581 HydrophobicContact CB-CZ 4.38Å; P579-F581 HydrophobicContact CG-CE2 3.99Å; P579-F581 HydrophobicContact CG-CZ 4.24Å; F581-F583 HydrophobicContact CB-CE2 4.02Å; F581-F583 HydrophobicContact CB-CZ 4.21Å | ||
| 582 | S | 32.7 | Very low | 37.1 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -93.4 | 110 | 173.3 | 60.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 583 | F | 35.4 | Very low | 37.9 | Very low | 177 Ų | 177 | 139.4 Ų | 139.4 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -85.3 | 125.4 | 175.5 | -63.3 | -81.5 | 0 | 0 | 0 | 111.4 | F581 | F581-F583 HydrophobicContact CB-CE2 4.02Å; F581-F583 HydrophobicContact CB-CZ 4.21Å | ||
| 584 | V | 34.1 | Very low | 38.4 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -107.8 | 105.9 | 175.7 | -179.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 585 | I | 39.3 | Very low | 38.7 | Very low | 140 Ų | 140 | 145 Ų | 145 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | trans | -99.1 | 98.1 | 178.2 | -57.4 | 178.9 | 0 | 0 | 0 | 109.2 | G587 | I585-G587 PolarHBondContact O-N 3.04Š| ||
| 586 | G | 37.8 | Very low | 38.8 | Very low | 73 Ų | 73 | 138.9 Ų | 138.9 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | -87.2 | 93.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 587 | G | 42.6 | Very low | 39.3 | Very low | 32 Ų | 32 | 145.5 Ų | 145.5 | 33% | 0.33 | 79% | 0.79 | S | S | . | * | trans | -80.9 | 141.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | I585 | I585-G587 PolarHBondContact O-N 3.04Š| ||
| 588 | R | 43.2 | Very low | 39.2 | Very low | 245 Ų | 245 | 154 Ų | 154 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -108.6 | 118.8 | 163.7 | -68.4 | -170.6 | -178.4 | -158.1 | 2.5 | 109.4 | ||||
| 589 | Q | 42.4 | Very low | 39.3 | Very low | 182 Ų | 182 | 154 Ų | 154 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -79.3 | 129.3 | 177.3 | -162.7 | 179.4 | 28.9 | 0 | 0 | 110.3 | ||||
| 590 | M | 39 | Very low | 39.8 | Very low | 193 Ų | 193 | 154.4 Ų | 154.4 | 95% | 0.951 | 80% | 0.795 | S | S | * | * | trans | -124 | 88.7 | -176.4 | -161.3 | 70.9 | 168.7 | 0 | 0 | 109.9 | ||||
| 591 | G | 38.3 | Very low | 39.8 | Very low | 70 Ų | 70 | 157.5 Ų | 157.5 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -169.5 | 111.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 592 | R | 42.7 | Very low | 40 | Very low | 252 Ų | 252 | 154 Ų | 154 | 95% | 0.951 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 29.5 | 98.2 | 165.4 | -68.5 | -171.5 | 173.4 | -127.6 | -2.2 | 119.4 | ||
| 593 | R | 48.2 | Very low | 40.1 | Very low | 247 Ų | 247 | 153.9 Ų | 153.9 | 93% | 0.932 | 78% | 0.78 | S | S | * | * | trans | 41.3 | 87.4 | 141.8 | -64.7 | -172.4 | 179.1 | -172.9 | 0.4 | 118.4 | ||||
| 594 | C | 37.8 | Very low | 40.1 | Very low | 132 Ų | 132 | 154.7 Ų | 154.7 | 89% | 0.892 | 78% | 0.783 | S | S | * | * | trans | -144.1 | 151.8 | 137.5 | -104.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 595 | Q | 41.8 | Very low | 40.1 | Very low | 210 Ų | 210 | 154.3 Ų | 154.3 | 98% | 0.981 | 79% | 0.786 | S | S | * | * | trans | -87.5 | 121.9 | 179.8 | -71.4 | -162.4 | 8.7 | 0 | 0 | 111.6 | ||||
| 596 | G | 40.8 | Very low | 39.8 | Very low | 74 Ų | 74 | 152.7 Ų | 152.7 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | 166.6 | 98.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R598 | G596-R598 PolarHBondContact O-N 2.95Š| ||
| 597 | R | 41.9 | Very low | 39.5 | Very low | 256 Ų | 256 | 154.9 Ų | 154.9 | 97% | 0.966 | 79% | 0.791 | S | S | * | * | trans | -84 | 111 | 179.6 | -66.3 | -172.8 | -176.1 | -160.5 | 3.2 | 110.9 | ||||
| 598 | R | 41.1 | Very low | 38.9 | Very low | 237 Ų | 237 | 158.2 Ų | 158.2 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | trans | -140.1 | 132.4 | 156.5 | -66.8 | -169.2 | -179.5 | -138.3 | -0.8 | 109.6 | G596 | G596-R598 PolarHBondContact O-N 2.95Š| ||
| 599 | P | 39.8 | Very low | 38.4 | Very low | 126 Ų | 126 | 152 Ų | 152 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -70.1 | 148.3 | 163.6 | 31.9 | -33 | 0 | 0 | 0 | 109.1 | ||||
| 600 | F | 46.3 | Very low | 38 | Very low | 110 Ų | 110 | 151 Ų | 151 | 48% | 0.482 | 80% | 0.803 | S | S | . | * | trans | -96 | 140.5 | 165 | 64.2 | -91.9 | 0 | 0 | 0 | 109.5 | ||||
| 601 | Q | 36.6 | Very low | 37.7 | Very low | 160 Ų | 160 | 147 Ų | 147 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -132.2 | 111.9 | 176.5 | 179.8 | 179.5 | -4 | 0 | 0 | 107.7 | T603 | Q601-T603 HydrophobicContact CG-CG2 4.44Š| ||
| 602 | T | 38.3 | Very low | 37.6 | Very low | 87 Ų | 87 | 148.8 Ų | 148.8 | 53% | 0.534 | 80% | 0.8 | S | S | . | * | trans | -109.5 | 105.2 | 178.7 | 44.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 603 | T | 34.5 | Very low | 37.1 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 66% | 0.663 | 79% | 0.792 | S | S | * | * | trans | -93.2 | 108.8 | 174.8 | 48.4 | 0 | 0 | 0 | 0 | 110 | Q601 S605 | Q601-T603 HydrophobicContact CG-CG2 4.44Å; T603-S605 PolarHBondContact O-N 3.19Å | ||
| 604 | F | 34.7 | Very low | 36.4 | Very low | 194 Ų | 194 | 136.9 Ų | 136.9 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | trans | -78 | 111.7 | 168.9 | -65.7 | -82.3 | 0 | 0 | 0 | 109.3 | ||||
| 605 | S | 34.7 | Very low | 36 | Very low | 113 Ų | 113 | 137 Ų | 137 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 126.8 | 169 | -60 | 0 | 0 | 0 | 0 | 109.4 | T603 | T603-S605 PolarHBondContact O-N 3.19Š|
| 606 | S | 33.9 | Very low | 35.5 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 137 | 164.6 | 54.8 | 0 | 0 | 0 | 0 | 109.6 | S608 | S606-S608 PolarHBondContact O-N 3.19Å; S606-S608 VanDerWaalsContact O-N 3.12Å |
| 607 | S | 32 | Very low | 35 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 117 | 174.8 | 36.9 | 0 | 0 | 0 | 0 | 110.6 | ||
| 608 | S | 29.1 | Very low | 34.5 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -61 | 137.5 | 170.4 | 53.2 | 0 | 0 | 0 | 0 | 109.8 | S606 L610 | S606-S608 PolarHBondContact O-N 3.19Å; S606-S608 VanDerWaalsContact O-N 3.12Å; S608-L610 PolarHBondContact O-N 2.65Å |
| 609 | S | 32 | Very low | 33.9 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 127.4 | 167.3 | 41.8 | 0 | 0 | 0 | 0 | 109.8 | ||
| 610 | L | 34.3 | Very low | 33.5 | Very low | 160 Ų | 160 | 131.2 Ų | 131.2 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 135.5 | 177.6 | -92.4 | 76 | 0 | 0 | 0 | 109.8 | S608 | S608-L610 PolarHBondContact O-N 2.65Š|
| 611 | P | 33.4 | Very low | 32.8 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 138.6 | 174.9 | 28.5 | -34.2 | 0 | 0 | 0 | 110.5 | N613 | P611-N613 PolarHBondContact O-N 3.21Š|
| 612 | A | 35.5 | Very low | 32.5 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | trans | -68 | 103.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 613 | N | 32.1 | Very low | 32.2 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -78.7 | 138.3 | 168.7 | -93.2 | -54.8 | 0 | 0 | 0 | 110.6 | P611 | P611-N613 PolarHBondContact O-N 3.21Š| ||
| 614 | P | 33.7 | Very low | 32 | Very low | 101 Ų | 101 | 138 Ų | 138 | 66% | 0.656 | 80% | 0.797 | S | S | * | * | trans | -70.7 | 155.4 | -178.1 | 29.4 | -35.5 | 0 | 0 | 0 | 112.5 | R616 | P614-R616 PolarHBondContact O-N 2.84Å; P614-R616 VanDerWaalsContact O-N 3.15Å | ||
| 615 | P | 30.3 | Very low | 32.2 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | trans | -66.3 | 113.4 | -176.1 | 26.5 | -34.7 | 0 | 0 | 0 | 112.2 | A617 | P615-A617 PolarHBondContact O-N 3.2Š| ||
| 616 | R | 30.4 | Very low | 31.9 | Very low | 219 Ų | 219 | 134 Ų | 134 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -74.4 | 106.1 | 168.2 | -84.1 | -174.5 | 167 | -177.2 | -3.2 | 110.2 | P614 Y618 | P614-R616 PolarHBondContact O-N 2.84Å; P614-R616 VanDerWaalsContact O-N 3.15Å; R616-Y618 PolarHBondContact O-N 2.95Å; R616-Y618 VanDerWaalsContact O-N 3.16Å | ||
| 617 | A | 31.4 | Very low | 31.9 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -65.8 | 108.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P615 A619 | P615-A617 PolarHBondContact O-N 3.2Å; A617-A619 PolarHBondContact O-N 3Å; A617-A619 VanDerWaalsContact O-N 3.13Å | ||
| 618 | Y | 30.2 | Very low | 31.9 | Very low | 196 Ų | 196 | 141.9 Ų | 141.9 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -80.7 | 87 | 172.3 | -93.3 | -82.8 | 0 | 0 | 0 | 111 | R616 H620 | R616-Y618 PolarHBondContact O-N 2.95Å; R616-Y618 VanDerWaalsContact O-N 3.16Å; Y618-H620 PolarHBondContact O-N 2.78Å; Y618-H620 VanDerWaalsContact O-N 3.11Å | ||
| 619 | A | 29.2 | Very low | 32 | Very low | 91 Ų | 91 | 140.2 Ų | 140.2 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -70.2 | 100.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | A617 K621 | A617-A619 PolarHBondContact O-N 3Å; A617-A619 VanDerWaalsContact O-N 3.13Å; A619-K621 PolarHBondContact O-N 3.49Å | ||
| 620 | H | 31.5 | Very low | 32.1 | Very low | 178 Ų | 178 | 143.9 Ų | 143.9 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -66.6 | 93.1 | 175.5 | -83.3 | -92.9 | 0 | 0 | 0 | 111.5 | Y618 | Y618-H620 PolarHBondContact O-N 2.78Å; Y618-H620 VanDerWaalsContact O-N 3.11Å | ||
| 621 | K | 31.4 | Very low | 31.8 | Very low | 197 Ų | 197 | 141.9 Ų | 141.9 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -79.2 | 120.2 | 156.6 | -74.7 | -168.1 | 177 | -175.8 | 0 | 108.9 | A619 | A619-K621 PolarHBondContact O-N 3.49Š| ||
| 622 | L | 30.7 | Very low | 31.7 | Very low | 158 Ų | 158 | 143.1 Ų | 143.1 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | -61.8 | 131.4 | 174.6 | -68 | 160.6 | 0 | 0 | 0 | 110 | V624 | L622-V624 PolarHBondContact O-N 3.44Š| ||
| 623 | P | 31 | Very low | 31.3 | Very low | 118 Ų | 118 | 148 Ų | 148 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | -71.7 | 109.2 | 171.2 | 28.9 | -32.1 | 0 | 0 | 0 | 109.5 | I625 | P623-I625 PolarHBondContact O-N 3.48Š| ||
| 624 | V | 30.8 | Very low | 31.1 | Very low | 135 Ų | 135 | 152.3 Ų | 152.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -63 | 133.5 | 170.4 | 175.2 | 0 | 0 | 0 | 0 | 109 | L622 G626 | L622-V624 PolarHBondContact O-N 3.44Å; V624-G626 VanDerWaalsContact C-N 3.27Å; V624-G626 PolarHBondContact O-N 3.07Å | ||
| 625 | I | 38 | Very low | 30.9 | Very low | 166 Ų | 166 | 158.2 Ų | 158.2 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -73.8 | 81.6 | 179.8 | -58 | 175 | 0 | 0 | 0 | 109.6 | P623 | P623-I625 PolarHBondContact O-N 3.48Š| ||
| 626 | G | 29.3 | Very low | 30.7 | Very low | 57 Ų | 57 | 158.2 Ų | 158.2 | 59% | 0.588 | 81% | 0.807 | S | S | * | * | trans | -80.4 | 120.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V624 V628 | V624-G626 VanDerWaalsContact C-N 3.27Å; V624-G626 PolarHBondContact O-N 3.07Å; G626-V628 PolarHBondContact O-N 3.38Å; G626-V628 VanDerWaalsContact O-N 3.08Å | ||
| 627 | R | 34.7 | Very low | 30.6 | Very low | 249 Ų | 249 | 153.2 Ų | 153.2 | 94% | 0.94 | 80% | 0.804 | S | S | * | * | trans | -68.6 | 102.4 | 171.3 | -73.1 | 179.2 | 175.1 | 165.3 | -2.2 | 109.8 | G629 | R627-G629 PolarHBondContact O-N 2.97Š| ||
| 628 | V | 30.5 | Very low | 30.3 | Very low | 141 Ų | 141 | 153.9 Ų | 153.9 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | -73.1 | 97.9 | 170 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | G626 K630 | G626-V628 PolarHBondContact O-N 3.38Å; G626-V628 VanDerWaalsContact O-N 3.08Å; V628-K630 PolarHBondContact O-N 3.24Å | ||
| 629 | G | 32.2 | Very low | 30.2 | Very low | 65 Ų | 65 | 153 Ų | 153 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 122.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | R627 | R627-G629 PolarHBondContact O-N 2.97Š|
| 630 | K | 33 | Very low | 30.2 | Very low | 194 Ų | 194 | 159.6 Ų | 159.6 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 132.1 | 168.8 | -68.4 | 178.3 | 178.3 | 177.8 | 0 | 108.4 | V628 V632 | V628-K630 PolarHBondContact O-N 3.24Å; K630-V632 PolarHBondContact O-N 2.8Å |
| 631 | P | 28.5 | Very low | 30 | Very low | 118 Ų | 118 | 155 Ų | 155 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 123.6 | 174.9 | 26.3 | -33.1 | 0 | 0 | 0 | 109.5 | R633 | P631-R633 PolarHBondContact O-N 3.15Š|
| 632 | V | 31.6 | Very low | 29.8 | Very low | 134 Ų | 134 | 153.4 Ų | 153.4 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | -65.8 | 105.8 | 174.3 | 177.3 | 0 | 0 | 0 | 0 | 108.1 | K630 R634 | K630-V632 PolarHBondContact O-N 2.8Å; V632-R634 PolarHBondContact O-N 2.73Å | ||
| 633 | R | 27.4 | Very low | 29.5 | Very low | 212 Ų | 212 | 156.2 Ų | 156.2 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -65.8 | 102.7 | 169.2 | -73.4 | -171.2 | 176 | -163.7 | 0.1 | 108.3 | P631 W635 | P631-R633 PolarHBondContact O-N 3.15Å; R633-W635 PolarHBondContact O-N 3.4Å | ||
| 634 | R | 26.5 | Very low | 29.5 | Very low | 237 Ų | 237 | 156.8 Ų | 156.8 | 89% | 0.894 | 80% | 0.797 | S | S | * | * | trans | -63 | 114.1 | 158.1 | -77.5 | -175.4 | 175.4 | 173.1 | -1.2 | 107.2 | V632 | V632-R634 PolarHBondContact O-N 2.73Š| ||
| 635 | W | 30.3 | Very low | 29.3 | Very low | 226 Ų | 226 | 155.7 Ų | 155.7 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 123.6 | 166.5 | -72 | 66.1 | 0 | 0 | 0 | 107.6 | R633 | R633-W635 PolarHBondContact O-N 3.4Š|
| 636 | T | 26.3 | Very low | 29 | Very low | 133 Ų | 133 | 159.9 Ų | 159.9 | 82% | 0.816 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 134.5 | 169.3 | 46.3 | 0 | 0 | 0 | 0 | 109.1 | S638 | T636-S638 PolarHBondContact O-N 3.37Š|
| 637 | C | 27.3 | Very low | 29 | Very low | 115 Ų | 115 | 165 Ų | 165 | 78% | 0.777 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 135.1 | 173.5 | -65.2 | 0 | 0 | 0 | 0 | 110.8 | H639 | C637-H639 PolarHBondContact O-N 2.72Š|
| 638 | S | 27 | Very low | 28.7 | Very low | 111 Ų | 111 | 160.6 Ų | 160.6 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | -67.5 | 114.2 | 167.5 | 48.6 | 0 | 0 | 0 | 0 | 109.2 | T636 Y640 | T636-S638 PolarHBondContact O-N 3.37Å; S638-Y640 PolarHBondContact O-N 3.32Å | ||
| 639 | H | 26.4 | Very low | 28.6 | Very low | 178 Ų | 178 | 161.7 Ų | 161.7 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | trans | -69.8 | 87.9 | 174.2 | -74.9 | -95.4 | 0 | 0 | 0 | 111.1 | C637 | C637-H639 PolarHBondContact O-N 2.72Š| ||
| 640 | Y | 30.1 | Very low | 28.3 | Very low | 229 Ų | 229 | 167.4 Ų | 167.4 | 90% | 0.898 | 83% | 0.828 | S | S | * | * | trans | -141 | 128.6 | 149.1 | -83.7 | -69.9 | 0 | 0 | 0 | 109.2 | S638 | S638-Y640 PolarHBondContact O-N 3.32Š| ||
| 641 | S | 26.1 | Very low | 28 | Very low | 83 Ų | 83 | 165.7 Ų | 165.7 | 58% | 0.58 | 83% | 0.827 | S | S | * | * | trans | -101.5 | 117.1 | 176.8 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | Y643 | S641-Y643 WeakPolarHBondContact OG-CD2 3.45Š| ||
| 642 | L | 27.7 | Very low | 28 | Very low | 163 Ų | 163 | 168.9 Ų | 168.9 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | trans | -85.3 | 112.1 | 144.6 | -66.5 | 177 | 0 | 0 | 0 | 105.3 | L644 | L642-L644 PolarHBondContact O-N 3.22Š| ||
| 643 | Y | 25.5 | Very low | 27.8 | Very low | 217 Ų | 217 | 171.4 Ų | 171.4 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | trans | -75.7 | 106.8 | -179 | -115.3 | -85.5 | 0 | 0 | 0 | 109.2 | S641 | S641-Y643 WeakPolarHBondContact OG-CD2 3.45Š| ||
| 644 | L | 30.5 | Very low | 27.8 | Very low | 129 Ų | 129 | 168.2 Ų | 168.2 | 68% | 0.675 | 84% | 0.835 | S | S | * | * | trans | -129.7 | 127 | 161.8 | -82.6 | 169.2 | 0 | 0 | 0 | 107.9 | T269 L642 | T269-L644 HydrophobicContact CG2-CD1 3.8Å; L642-L644 PolarHBondContact O-N 3.22Å | ||
| 645 | P | 26.9 | Very low | 27.9 | Very low | 113 Ų | 113 | 162.5 Ų | 162.5 | 73% | 0.734 | 83% | 0.83 | S | S | * | * | trans | -87.5 | 122.1 | 179.8 | 32.5 | -30.8 | 0 | 0 | 0 | 111.8 | ||||
| 646 | L | 30.7 | Very low | 27.7 | Very low | 253 Ų | 253 | 156.7 Ų | 156.7 | 100% | 1.325 | 83% | 0.828 | S | S | * | * | trans | 59.6 | 0 | 167.5 | -65.1 | 172.2 | 0 | 0 | 0 | 116.3 |
Retrieved 646 of 646 residues in 952.1 ms
(Link to these results)