| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.9 | Very low | 47 | Very low | 234 Ų | 234 | 139.8 Ų | 139.8 | 100% | 1.153 | 84% | 0.837 | S | S | * | * | 0 | 105.7 | 0 | -79.5 | 156.8 | 69.2 | 0 | 0 | 109 | |||||
| 2 | P | 49.8 | Very low | 47.9 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 131.7 | 166.1 | 29.2 | -28.7 | 0 | 0 | 0 | 110.4 | ||
| 3 | P | 54.3 | Low | 49.6 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 141.7 | -176.9 | 27.6 | -31.3 | 0 | 0 | 0 | 112.9 | ||
| 4 | K | 52.7 | Low | 51.2 | Low | 205 Ų | 205 | 140.6 Ų | 140.6 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -56 | 140.8 | 177.1 | -81.8 | 171.8 | 168.9 | 173.5 | 0 | 112.6 | ||
| 5 | K | 47.1 | Very low | 52.7 | Low | 204 Ų | 204 | 136.1 Ų | 136.1 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 130.8 | 166.6 | -65.4 | 179.7 | 178.7 | -178.2 | 0 | 110.5 | ||
| 6 | P | 46.2 | Very low | 54.1 | Low | 125 Ų | 125 | 134.1 Ų | 134.1 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 146.9 | 169.7 | 29.3 | -31.4 | 0 | 0 | 0 | 112.1 | ||
| 7 | A | 46.8 | Very low | 55.5 | Low | 90 Ų | 90 | 131.6 Ų | 131.6 | 74% | 0.744 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 151.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 8 | P | 41.9 | Very low | 57 | Low | 133 Ų | 133 | 131.1 Ų | 131.1 | 86% | 0.864 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 137.4 | -178 | 26.9 | -32.7 | 0 | 0 | 0 | 112.8 | ||
| 9 | A | 38.7 | Very low | 58.3 | Low | 96 Ų | 96 | 131.4 Ų | 131.4 | 79% | 0.793 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 146.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G11 | A9-G11 PolarHBondContact O-N 3.36Š|
| 10 | T | 49.3 | Very low | 59.6 | Low | 145 Ų | 145 | 127.9 Ų | 127.9 | 89% | 0.89 | 70% | 0.698 | S | S | * | * | trans | -60.1 | 112.5 | 174.3 | 37.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 11 | G | 47.8 | Very low | 60.8 | Low | 50 Ų | 50 | 126.4 Ų | 126.4 | 52% | 0.515 | 69% | 0.687 | S | S | . | * | trans | -73.1 | 140.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A9 Q16 | A9-G11 PolarHBondContact O-N 3.36Å; G11-Q16 PolarHBondContact O-NE2 2.83Å | ||
| 12 | N | 57.9 | Low | 62.9 | Low | 127 Ų | 127 | 122.3 Ų | 122.3 | 68% | 0.679 | 66% | 0.662 | S | S | * | * | trans | -34.5 | 133 | 178.8 | -109.2 | -15.3 | 0 | 0 | 0 | 115.8 | K14 T15 Q16 | N12-K14 VanDerWaalsContact C-N 3.25Å; N12-K14 PolarHBondContact O-N 2.69Å; N12-T15 WeakPolarHBondContact O-CA 3.39Å; N12-T15 WeakPolarHBondContact O-CB 3.15Å; N12-T15 PolarHBondContact O-N 3.27Å; N12-Q16 PolarHBondContact O-N 3.23Å | ||
| 13 | K | 70.3 | Confident | 64.6 | Low | 156 Ų | 156 | 119.7 Ų | 119.7 | 68% | 0.678 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -50.9 | -40.6 | 178.3 | -173.4 | 177.5 | 178 | -178.6 | 0 | 113.3 | T15 Q16 E17 | K13-T15 VanDerWaalsContact C-N 3.29Å; K13-T15 PolarHBondContact O-N 3.33Å; K13-Q16 PolarHBondContact O-N 3.06Å; K13-Q16 VanDerWaalsContact O-N 3.15Å; K13-E17 WeakPolarHBondContact CE-OE1 3.4Å; K13-E17 PolarHBondContact O-N 3.33Å |
| 14 | K | 71.8 | Confident | 66.1 | Low | 148 Ų | 148 | 114.4 Ų | 114.4 | 64% | 0.643 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.6 | -32.4 | 177.1 | -163.5 | 171.8 | -173.8 | 175.3 | 0 | 113 | N12 K18 | N12-K14 VanDerWaalsContact C-N 3.25Å; N12-K14 PolarHBondContact O-N 2.69Å; K14-K18 WeakPolarHBondContact O-CG 3.27Å; K14-K18 PolarHBondContact O-N 3Å; K14-K18 VanDerWaalsContact O-N 3.17Å |
| 15 | T | 73.7 | Confident | 67.7 | Low | 72 Ų | 72 | 109.6 Ų | 109.6 | 44% | 0.442 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -75.2 | -32.4 | 177.2 | -49.9 | 0 | 0 | 0 | 0 | 111.4 | N12 K13 K19 | N12-T15 WeakPolarHBondContact O-CA 3.39Å; N12-T15 WeakPolarHBondContact O-CB 3.15Å; N12-T15 PolarHBondContact O-N 3.27Å; K13-T15 VanDerWaalsContact C-N 3.29Å; K13-T15 PolarHBondContact O-N 3.33Å; T15-K19 VanDerWaalsContact O-CG 3.29Å; T15-K19 WeakPolarHBondContact O-CG 3.39Å; T15-K19 PolarHBondContact O-N 2.86Å |
| 16 | Q | 75.8 | Confident | 69.7 | Low | 105 Ų | 105 | 105.8 Ų | 105.8 | 49% | 0.491 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -73.9 | -35.9 | 175.1 | -61.4 | -170.9 | 22.4 | 0 | 0 | 112.1 | G11 N12 K13 K19 K20 | G11-Q16 PolarHBondContact O-NE2 2.83Å; N12-Q16 PolarHBondContact O-N 3.23Å; K13-Q16 PolarHBondContact O-N 3.06Å; K13-Q16 VanDerWaalsContact O-N 3.15Å; Q16-K19 PolarHBondContact O-N 3.32Å; Q16-K20 WeakPolarHBondContact O-CG 3.34Å; Q16-K20 PolarHBondContact O-N 3.19Å |
| 17 | E | 76.9 | Confident | 71.6 | Confident | 92 Ų | 92 | 105.4 Ų | 105.4 | 43% | 0.43 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.3 | -47.5 | 174.5 | -73.3 | 166.8 | 171.7 | 0 | 0 | 111.4 | K13 K19 K20 E21 | K13-E17 WeakPolarHBondContact CE-OE1 3.4Å; K13-E17 PolarHBondContact O-N 3.33Å; E17-K19 VanDerWaalsContact C-N 3.29Å; E17-K19 PolarHBondContact O-N 3.41Å; E17-K20 WeakPolarHBondContact O-CB 3.38Å; E17-K20 PolarHBondContact O-N 2.84Å; E17-E21 PolarHBondContact O-N 3.02Å |
| 18 | K | 82.6 | Confident | 73.3 | Confident | 122 Ų | 122 | 101.1 Ų | 101.1 | 53% | 0.53 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.8 | -37.1 | 173.7 | -73.2 | -177.3 | 177.7 | -166 | 0 | 113.2 | K14 E21 K22 | K14-K18 WeakPolarHBondContact O-CG 3.27Å; K14-K18 PolarHBondContact O-N 3Å; K14-K18 VanDerWaalsContact O-N 3.17Å; K18-E21 PolarHBondContact O-N 3.42Å; K18-K22 WeakPolarHBondContact O-CG 3.47Å; K18-K22 PolarHBondContact O-N 3.08Å |
| 19 | K | 82.9 | Confident | 75.4 | Confident | 136 Ų | 136 | 103 Ų | 103 | 59% | 0.591 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.9 | -39.5 | 174.7 | -75.5 | 176 | -179 | -173.1 | 0 | 111.7 | T15 Q16 E17 I23 | T15-K19 VanDerWaalsContact O-CG 3.29Å; T15-K19 WeakPolarHBondContact O-CG 3.39Å; T15-K19 PolarHBondContact O-N 2.86Å; Q16-K19 PolarHBondContact O-N 3.32Å; E17-K19 VanDerWaalsContact C-N 3.29Å; E17-K19 PolarHBondContact O-N 3.41Å; K19-I23 WeakPolarHBondContact O-CD1 3.43Å; K19-I23 VanDerWaalsContact O-CG1 3.22Å; K19-I23 WeakPolarHBondContact O-CG1 3.35Å; K19-I23 PolarHBondContact O-N 3.35Å; K19-I23 VanDerWaalsContact O-N 3.08Å |
| 20 | K | 83 | Confident | 77.4 | Confident | 62 Ų | 62 | 100.9 Ų | 100.9 | 27% | 0.27 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 176.3 | -71 | 174.2 | -177.7 | -172.4 | 0 | 111.8 | Q16 E17 I23 I24 V50 | Q16-K20 WeakPolarHBondContact O-CG 3.34Å; Q16-K20 PolarHBondContact O-N 3.19Å; E17-K20 WeakPolarHBondContact O-CB 3.38Å; E17-K20 PolarHBondContact O-N 2.84Å; K20-I23 PolarHBondContact O-N 3.33Å; K20-I24 WeakPolarHBondContact O-CD1 3.5Å; K20-I24 VanDerWaalsContact O-CG1 3.27Å; K20-I24 WeakPolarHBondContact O-CG1 3.44Å; K20-I24 PolarHBondContact O-N 3.49Å; K20-V50 HydrophobicContact CB-CG1 4.09Å; K20-V50 HydrophobicContact CG-CG1 4.36Å |
| 21 | E | 84.8 | Confident | 79 | Confident | 97 Ų | 97 | 96.5 Ų | 96.5 | 45% | 0.453 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 175 | -72.9 | 170.1 | 168 | 0 | 0 | 111.6 | E17 K18 I23 I24 E25 | E17-E21 PolarHBondContact O-N 3.02Å; K18-E21 PolarHBondContact O-N 3.42Å; E21-I23 VanDerWaalsContact C-N 3.31Å; E21-I23 PolarHBondContact O-N 3.06Å; E21-I24 WeakPolarHBondContact O-CB 3.42Å; E21-I24 PolarHBondContact O-N 3.12Å; E21-E25 WeakPolarHBondContact O-CG 3.24Å; E21-E25 PolarHBondContact O-N 2.79Å |
| 22 | K | 86.9 | Confident | 79.9 | Confident | 147 Ų | 147 | 99.1 Ų | 99.1 | 64% | 0.639 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -58 | -40.3 | 173.5 | -72.9 | -174.9 | 177.8 | -158.1 | 0 | 113 | K18 I24 E25 D26 | K18-K22 WeakPolarHBondContact O-CG 3.47Å; K18-K22 PolarHBondContact O-N 3.08Å; K22-I24 VanDerWaalsContact C-N 3.33Å; K22-I24 PolarHBondContact O-N 3Å; K22-E25 PolarHBondContact O-N 3.24Å; K22-D26 VanDerWaalsContact O-CB 3.31Å; K22-D26 WeakPolarHBondContact O-CB 3.34Å; K22-D26 PolarHBondContact O-N 2.87Å |
| 23 | I | 84.9 | Confident | 80.5 | Confident | 73 Ų | 73 | 100.6 Ų | 100.6 | 37% | 0.374 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.2 | -35.6 | 176.9 | -67.3 | 162.1 | 0 | 0 | 0 | 111.5 | K19 K20 E21 K27 V50 | K19-I23 WeakPolarHBondContact O-CD1 3.43Å; K19-I23 VanDerWaalsContact O-CG1 3.22Å; K19-I23 WeakPolarHBondContact O-CG1 3.35Å; K19-I23 PolarHBondContact O-N 3.35Å; K19-I23 VanDerWaalsContact O-N 3.08Å; K20-I23 PolarHBondContact O-N 3.33Å; E21-I23 VanDerWaalsContact C-N 3.31Å; E21-I23 PolarHBondContact O-N 3.06Å; I23-K27 HydrophobicContact CG2-CD 4.02Å; I23-K27 WeakPolarHBondContact O-CB 3.34Å; I23-K27 WeakPolarHBondContact O-CG 3.3Å; I23-K27 PolarHBondContact O-N 3.13Å; I23-V50 HydrophobicContact CB-CG1 4.28Å; I23-V50 HydrophobicContact CG2-CG1 4.08Å; I23-V50 HydrophobicContact CG2-CG2 4.07Å |
| 24 | I | 86.8 | Confident | 80.8 | Confident | 17 Ų | 17 | 99.5 Ų | 99.5 | 9% | 0.087 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -68.2 | -46.1 | 175.1 | -66.7 | 159.3 | 0 | 0 | 0 | 109.1 | K20 E21 K22 D26 K27 T28 T47 V50 K51 | K20-I24 WeakPolarHBondContact O-CD1 3.5Å; K20-I24 VanDerWaalsContact O-CG1 3.27Å; K20-I24 WeakPolarHBondContact O-CG1 3.44Å; K20-I24 PolarHBondContact O-N 3.49Å; E21-I24 WeakPolarHBondContact O-CB 3.42Å; E21-I24 PolarHBondContact O-N 3.12Å; K22-I24 VanDerWaalsContact C-N 3.33Å; K22-I24 PolarHBondContact O-N 3Å; I24-D26 VanDerWaalsContact C-N 3.34Å; I24-D26 PolarHBondContact O-N 3.47Å; I24-K27 PolarHBondContact O-N 3.3Å; I24-T28 HydrophobicContact CG2-CG2 4.32Å; I24-T28 VanDerWaalsContact O-CB 3.29Å; I24-T28 WeakPolarHBondContact O-CB 3.3Å; I24-T28 WeakPolarHBondContact O-CG2 3.48Å; I24-T28 PolarHBondContact O-N 2.84Å; I24-T28 PolarHBondContact O-OG1 3.5Å; I24-T47 HydrophobicContact CD1-CG2 4.26Å; I24-V50 HydrophobicContact CD1-CB 4.23Å; I24-V50 HydrophobicContact CD1-CG1 4.11Å; I24-V50 HydrophobicContact CG1-CB 3.78Å; I24-V50 HydrophobicContact CG1-CG1 3.76Å; I24-V50 HydrophobicContact CG1-CG2 4.32Å; I24-K51 HydrophobicContact CD1-CD 4.4Å; I24-K51 HydrophobicContact CD1-CG 3.83Å |
| 25 | E | 86.8 | Confident | 80.9 | Confident | 104 Ų | 104 | 102.1 Ų | 102.1 | 49% | 0.486 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.2 | -45.6 | 178.5 | -74 | 168.2 | -178.2 | 0 | 0 | 112.2 | E21 K22 T28 F29 | E21-E25 WeakPolarHBondContact O-CG 3.24Å; E21-E25 PolarHBondContact O-N 2.79Å; K22-E25 PolarHBondContact O-N 3.24Å; E25-T28 CarbonylContact O-C 3.57Å; E25-T28 PolarHBondContact O-N 2.83Å; E25-F29 WeakPolarHBondContact O-CA 3.35Å; E25-F29 VanDerWaalsContact O-CB 3.31Å; E25-F29 WeakPolarHBondContact O-CB 3.47Å; E25-F29 PolarHBondContact O-N 3.29Å |
| 26 | D | 87.6 | Confident | 81.4 | Confident | 124 Ų | 124 | 100 Ų | 100 | 66% | 0.663 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67 | -47.2 | 179.4 | -168.2 | 49.8 | 0 | 0 | 0 | 112.2 | K22 I24 T28 F29 | K22-D26 VanDerWaalsContact O-CB 3.31Å; K22-D26 WeakPolarHBondContact O-CB 3.34Å; K22-D26 PolarHBondContact O-N 2.87Å; I24-D26 VanDerWaalsContact C-N 3.34Å; I24-D26 PolarHBondContact O-N 3.47Å; D26-T28 VanDerWaalsContact C-N 3.27Å; D26-T28 PolarHBondContact O-N 3.29Å; D26-F29 VanDerWaalsContact O-CB 3.25Å; D26-F29 WeakPolarHBondContact O-CB 3.31Å; D26-F29 PolarHBondContact O-N 3.5Å |
| 27 | K | 85.6 | Confident | 81.9 | Confident | 117 Ų | 117 | 98.6 Ų | 98.6 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.9 | -19.6 | 178.6 | -71.6 | -178.1 | 175.8 | -176.5 | 0 | 114.4 | I23 I24 V46 | I23-K27 HydrophobicContact CG2-CD 4.02Å; I23-K27 WeakPolarHBondContact O-CB 3.34Å; I23-K27 WeakPolarHBondContact O-CG 3.3Å; I23-K27 PolarHBondContact O-N 3.13Å; I24-K27 PolarHBondContact O-N 3.3Å; K27-V46 HydrophobicContact CB-CG1 3.86Å; K27-V46 HydrophobicContact CD-CG1 4.17Å |
| 28 | T | 83.6 | Confident | 82.2 | Confident | 1 Ų | 1 | 102.7 Ų | 102.7 | 1% | 0.006 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 3.8 | 177.2 | 63.2 | 0 | 0 | 0 | 0 | 112 | I24 E25 D26 G30 L31 K32 I43 V46 | I24-T28 HydrophobicContact CG2-CG2 4.32Å; I24-T28 VanDerWaalsContact O-CB 3.29Å; I24-T28 WeakPolarHBondContact O-CB 3.3Å; I24-T28 WeakPolarHBondContact O-CG2 3.48Å; I24-T28 PolarHBondContact O-N 2.84Å; I24-T28 PolarHBondContact O-OG1 3.5Å; E25-T28 CarbonylContact O-C 3.57Å; E25-T28 PolarHBondContact O-N 2.83Å; D26-T28 VanDerWaalsContact C-N 3.27Å; D26-T28 PolarHBondContact O-N 3.29Å; T28-G30 PolarHBondContact O-N 2.88Å; T28-L31 PolarHBondContact O-N 3.14Å; T28-L31 VanDerWaalsContact O-N 3.14Å; T28-K32 WeakPolarHBondContact O-CG 3.29Å; T28-K32 PolarHBondContact O-N 2.94Å; T28-K32 WeakPolarHBondContact OG1-CE 3.31Å; T28-I43 HydrophobicContact CG2-CB 4.39Å; T28-I43 HydrophobicContact CG2-CG1 4.18Å; T28-I43 HydrophobicContact CG2-CG2 4.1Å; T28-V46 HydrophobicContact CG2-CB 4.45Å; T28-V46 HydrophobicContact CG2-CG1 4.18Å |
| 29 | F | 86.4 | Confident | 82.2 | Confident | 171 Ų | 171 | 100.4 Ų | 100.4 | 75% | 0.75 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 133.9 | 177 | -167.7 | -107.4 | 0 | 0 | 0 | 109.9 | E25 D26 L31 | E25-F29 WeakPolarHBondContact O-CA 3.35Å; E25-F29 VanDerWaalsContact O-CB 3.31Å; E25-F29 WeakPolarHBondContact O-CB 3.47Å; E25-F29 PolarHBondContact O-N 3.29Å; D26-F29 VanDerWaalsContact O-CB 3.25Å; D26-F29 WeakPolarHBondContact O-CB 3.31Å; D26-F29 PolarHBondContact O-N 3.5Å; F29-L31 PolarHBondContact O-N 3.15Å; F29-L31 VanDerWaalsContact O-N 3.13Å |
| 30 | G | 81.1 | Confident | 82.1 | Confident | 53 Ų | 53 | 97.4 Ų | 97.4 | 55% | 0.546 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | -12.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | T28 | T28-G30 PolarHBondContact O-N 2.88Š|
| 31 | L | 80.9 | Confident | 82.3 | Confident | 53 Ų | 53 | 101.9 Ų | 101.9 | 28% | 0.277 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -19 | 175 | -94.5 | 71.1 | 0 | 0 | 0 | 113.5 | T28 F29 N33 K34 Q39 Y42 I43 | T28-L31 PolarHBondContact O-N 3.14Å; T28-L31 VanDerWaalsContact O-N 3.14Å; F29-L31 PolarHBondContact O-N 3.15Å; F29-L31 VanDerWaalsContact O-N 3.13Å; L31-N33 PolarHBondContact O-N 3.17Å; L31-K34 PolarHBondContact O-N 3.2Å; L31-Q39 HydrophobicContact CD2-CG 4.4Å; L31-Q39 HydrophobicContact CG-CG 4.42Å; L31-Y42 HydrophobicContact CD2-CD1 3.58Å; L31-Y42 HydrophobicContact CD2-CE1 4.03Å; L31-I43 HydrophobicContact CB-CD1 4.24Å; L31-I43 HydrophobicContact CB-CG1 4.34Å |
| 32 | K | 68.1 | Low | 82.5 | Confident | 104 Ų | 104 | 103.3 Ų | 103.3 | 45% | 0.452 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -33.3 | -177 | -67.4 | 173.4 | -171.4 | -179.3 | 0 | 114 | T28 | T28-K32 WeakPolarHBondContact O-CG 3.29Å; T28-K32 PolarHBondContact O-N 2.94Å; T28-K32 WeakPolarHBondContact OG1-CE 3.31Å |
| 33 | N | 69.8 | Low | 82.5 | Confident | 159 Ų | 159 | 97.4 Ų | 97.4 | 85% | 0.85 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -10.1 | 179.1 | -77.4 | 2.7 | 0 | 0 | 0 | 114 | L31 K35 | L31-N33 PolarHBondContact O-N 3.17Å; N33-K35 PolarHBondContact O-N 2.96Å |
| 34 | K | 76 | Confident | 82.6 | Confident | 133 Ų | 133 | 101 Ų | 101 | 58% | 0.578 | 50% | 0.495 | S | S | * | . | trans | -89.5 | 105.6 | 177 | -76.1 | 175.7 | -179.8 | 174.5 | 0 | 109.6 | L31 G36 Q39 | L31-K34 PolarHBondContact O-N 3.2Å; K34-G36 PolarHBondContact O-N 2.95Å; K34-Q39 HydrophobicContact CB-CG 4.4Å | ||
| 35 | K | 75.8 | Confident | 82.6 | Confident | 203 Ų | 203 | 105.1 Ų | 105.1 | 88% | 0.883 | 52% | 0.517 | S | S | * | . | trans | -67.8 | 10.6 | 179.9 | -64.6 | -179.7 | -179.9 | 173.5 | 0 | 114.8 | N33 | N33-K35 PolarHBondContact O-N 2.96Š| ||
| 36 | G | 83.8 | Confident | 82.6 | Confident | 28 Ų | 28 | 100.5 Ų | 100.5 | 29% | 0.289 | 50% | 0.496 | S | S | . | . | trans | -68.7 | 134.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | K34 K38 Q39 Q40 | K34-G36 PolarHBondContact O-N 2.95Å; G36-K38 PolarHBondContact O-N 3.12Å; G36-K38 VanDerWaalsContact O-N 3.17Å; G36-Q39 PolarHBondContact O-N 2.94Å; G36-Q39 VanDerWaalsContact O-N 3.1Å; G36-Q40 WeakPolarHBondContact O-CG 3.34Å; G36-Q40 PolarHBondContact O-N 3.38Å | ||
| 37 | A | 84.9 | Confident | 82.6 | Confident | 75 Ų | 75 | 96.2 Ų | 96.2 | 62% | 0.62 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -59.4 | -29.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | K41 | A37-K41 WeakPolarHBondContact O-CG 3.25Å; A37-K41 PolarHBondContact O-N 2.87Å |
| 38 | K | 84.1 | Confident | 82.5 | Confident | 178 Ų | 178 | 96.3 Ų | 96.3 | 77% | 0.774 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -73.5 | -42.1 | 176.1 | -67.1 | -178.2 | -178.4 | 176.2 | 0 | 111.4 | G36 K41 Y42 | G36-K38 PolarHBondContact O-N 3.12Å; G36-K38 VanDerWaalsContact O-N 3.17Å; K38-K41 PolarHBondContact O-N 3.4Å; K38-Y42 PolarHBondContact O-N 3.34Å |
| 39 | Q | 81.8 | Confident | 82.5 | Confident | 73 Ų | 73 | 102.6 Ų | 102.6 | 34% | 0.341 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 177 | -73.2 | 72.4 | 13 | 0 | 0 | 111.1 | L31 K34 G36 K41 Y42 I43 | L31-Q39 HydrophobicContact CD2-CG 4.4Å; L31-Q39 HydrophobicContact CG-CG 4.42Å; K34-Q39 HydrophobicContact CB-CG 4.4Å; G36-Q39 PolarHBondContact O-N 2.94Å; G36-Q39 VanDerWaalsContact O-N 3.1Å; Q39-K41 PolarHBondContact O-N 2.77Å; Q39-Y42 WeakPolarHBondContact O-CB 3.38Å; Q39-Y42 PolarHBondContact O-N 3.45Å; Q39-Y42 VanDerWaalsContact O-N 3.15Å; Q39-I43 VanDerWaalsContact O-CG1 3.31Å; Q39-I43 WeakPolarHBondContact O-CG1 3.47Å; Q39-I43 PolarHBondContact O-N 2.97Å |
| 40 | Q | 81.9 | Confident | 82.4 | Confident | 73 Ų | 73 | 95.7 Ų | 95.7 | 34% | 0.341 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 174.8 | -71.2 | -65.9 | -20.3 | 0 | 0 | 112.6 | G36 K44 | G36-Q40 WeakPolarHBondContact O-CG 3.34Å; G36-Q40 PolarHBondContact O-N 3.38Å; Q40-K44 WeakPolarHBondContact O-CG 3.43Å; Q40-K44 PolarHBondContact O-N 3.49Å |
| 41 | K | 87.8 | Confident | 82.3 | Confident | 157 Ų | 157 | 98 Ų | 98 | 68% | 0.683 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65 | -38.3 | 173.2 | -75.3 | 178.6 | -176.1 | -176.9 | 0 | 112.1 | A37 K38 Q39 K44 N45 | A37-K41 WeakPolarHBondContact O-CG 3.25Å; A37-K41 PolarHBondContact O-N 2.87Å; K38-K41 PolarHBondContact O-N 3.4Å; Q39-K41 PolarHBondContact O-N 2.77Å; K41-K44 PolarHBondContact O-N 2.89Å; K41-N45 WeakPolarHBondContact O-CB 3.46Å; K41-N45 PolarHBondContact O-N 3.23Å |
| 42 | Y | 87.1 | Confident | 81.9 | Confident | 127 Ų | 127 | 101.6 Ų | 101.6 | 50% | 0.498 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.4 | -46.8 | 175.8 | -177 | -100.7 | 0 | 0 | 0 | 112.1 | L31 K38 Q39 K44 N45 V46 | L31-Y42 HydrophobicContact CD2-CD1 3.58Å; L31-Y42 HydrophobicContact CD2-CE1 4.03Å; K38-Y42 PolarHBondContact O-N 3.34Å; Q39-Y42 WeakPolarHBondContact O-CB 3.38Å; Q39-Y42 PolarHBondContact O-N 3.45Å; Q39-Y42 VanDerWaalsContact O-N 3.15Å; Y42-K44 VanDerWaalsContact C-N 3.3Å; Y42-K44 PolarHBondContact O-N 3.05Å; Y42-N45 PolarHBondContact O-N 3.28Å; Y42-N45 VanDerWaalsContact O-N 3.13Å; Y42-V46 HydrophobicContact CD1-CG2 4.04Å; Y42-V46 HydrophobicContact CD2-CG2 4.33Å; Y42-V46 HydrophobicContact CE1-CG2 3.64Å; Y42-V46 HydrophobicContact CE2-CG2 3.96Å; Y42-V46 HydrophobicContact CG-CG2 4.38Å; Y42-V46 WeakPolarHBondContact O-CG2 3.33Å; Y42-V46 PolarHBondContact O-N 3.27Å |
| 43 | I | 86.9 | Confident | 81.8 | Confident | 23 Ų | 23 | 99.7 Ų | 99.7 | 12% | 0.118 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -57.4 | -44.1 | 175.8 | -66.7 | 165.2 | 0 | 0 | 0 | 110.8 | T28 L31 Q39 T47 | T28-I43 HydrophobicContact CG2-CB 4.39Å; T28-I43 HydrophobicContact CG2-CG1 4.18Å; T28-I43 HydrophobicContact CG2-CG2 4.1Å; L31-I43 HydrophobicContact CB-CD1 4.24Å; L31-I43 HydrophobicContact CB-CG1 4.34Å; Q39-I43 VanDerWaalsContact O-CG1 3.31Å; Q39-I43 WeakPolarHBondContact O-CG1 3.47Å; Q39-I43 PolarHBondContact O-N 2.97Å; I43-T47 VanDerWaalsContact O-CB 3.27Å; I43-T47 WeakPolarHBondContact O-CB 3.39Å; I43-T47 PolarHBondContact O-N 2.98Å; I43-T47 PolarHBondContact O-OG1 3Å |
| 44 | K | 87.2 | Confident | 81.3 | Confident | 148 Ų | 148 | 100.4 Ų | 100.4 | 64% | 0.643 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.6 | -44.7 | 175.9 | -75 | 179.7 | -178 | -177.8 | 0 | 112 | Q40 K41 Y42 T47 Q48 | Q40-K44 WeakPolarHBondContact O-CG 3.43Å; Q40-K44 PolarHBondContact O-N 3.49Å; K41-K44 PolarHBondContact O-N 2.89Å; Y42-K44 VanDerWaalsContact C-N 3.3Å; Y42-K44 PolarHBondContact O-N 3.05Å; K44-T47 PolarHBondContact O-N 3.13Å; K44-Q48 VanDerWaalsContact O-CB 3.32Å; K44-Q48 WeakPolarHBondContact O-CB 3.15Å; K44-Q48 PolarHBondContact O-N 3.28Å |
| 45 | N | 87.5 | Confident | 80.6 | Confident | 103 Ų | 103 | 99 Ų | 99 | 55% | 0.551 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.1 | -43.7 | -179.5 | -159.5 | 9.3 | 0 | 0 | 0 | 112.1 | K41 Y42 Q48 Q49 | K41-N45 WeakPolarHBondContact O-CB 3.46Å; K41-N45 PolarHBondContact O-N 3.23Å; Y42-N45 PolarHBondContact O-N 3.28Å; Y42-N45 VanDerWaalsContact O-N 3.13Å; N45-Q48 PolarHBondContact O-N 3.44Å; N45-Q49 WeakPolarHBondContact O-CB 3.47Å; N45-Q49 PolarHBondContact O-N 3.32Å |
| 46 | V | 87.7 | Confident | 80 | Confident | 8 Ų | 8 | 93 Ų | 93 | 5% | 0.048 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 176.3 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | K27 T28 Y42 Q48 Q49 V50 | K27-V46 HydrophobicContact CB-CG1 3.86Å; K27-V46 HydrophobicContact CD-CG1 4.17Å; T28-V46 HydrophobicContact CG2-CB 4.45Å; T28-V46 HydrophobicContact CG2-CG1 4.18Å; Y42-V46 HydrophobicContact CD1-CG2 4.04Å; Y42-V46 HydrophobicContact CD2-CG2 4.33Å; Y42-V46 HydrophobicContact CE1-CG2 3.64Å; Y42-V46 HydrophobicContact CE2-CG2 3.96Å; Y42-V46 HydrophobicContact CG-CG2 4.38Å; Y42-V46 WeakPolarHBondContact O-CG2 3.33Å; Y42-V46 PolarHBondContact O-N 3.27Å; V46-Q48 VanDerWaalsContact C-N 3.31Å; V46-Q48 PolarHBondContact O-N 3.45Å; V46-Q49 PolarHBondContact O-N 3.22Å; V46-V50 WeakPolarHBondContact O-CG2 3.43Å; V46-V50 PolarHBondContact O-N 3.34Å |
| 47 | T | 86.1 | Confident | 79 | Confident | 33 Ų | 33 | 95.6 Ų | 95.6 | 20% | 0.202 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 176.4 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | I24 I43 K44 K51 | I24-T47 HydrophobicContact CD1-CG2 4.26Å; I43-T47 VanDerWaalsContact O-CB 3.27Å; I43-T47 WeakPolarHBondContact O-CB 3.39Å; I43-T47 PolarHBondContact O-N 2.98Å; I43-T47 PolarHBondContact O-OG1 3Å; K44-T47 PolarHBondContact O-N 3.13Å; T47-K51 HydrophobicContact CG2-CD 3.94Å; T47-K51 HydrophobicContact CG2-CG 4.41Å; T47-K51 VanDerWaalsContact O-CB 3.31Å; T47-K51 WeakPolarHBondContact O-CB 3.43Å; T47-K51 WeakPolarHBondContact O-CG 2.9Å; T47-K51 PolarHBondContact O-N 2.89Å |
| 48 | Q | 84.1 | Confident | 78 | Confident | 119 Ų | 119 | 101.1 Ų | 101.1 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.2 | -42.1 | 178.9 | -166.4 | 173.6 | 8.9 | 0 | 0 | 111.5 | K44 N45 V46 V50 Y52 | K44-Q48 VanDerWaalsContact O-CB 3.32Å; K44-Q48 WeakPolarHBondContact O-CB 3.15Å; K44-Q48 PolarHBondContact O-N 3.28Å; N45-Q48 PolarHBondContact O-N 3.44Å; V46-Q48 VanDerWaalsContact C-N 3.31Å; V46-Q48 PolarHBondContact O-N 3.45Å; Q48-V50 PolarHBondContact O-N 3.44Å; Q48-Y52 HydrophobicContact CB-CD2 4.43Å; Q48-Y52 HydrophobicContact CG-CD2 3.74Å; Q48-Y52 HydrophobicContact CG-CE2 4.28Å; Q48-Y52 WeakPolarHBondContact O-CB 3.46Å; Q48-Y52 WeakPolarHBondContact O-CD2 3.46Å; Q48-Y52 PolarHBondContact O-N 2.96Å |
| 49 | Q | 83.9 | Confident | 77.1 | Confident | 133 Ų | 133 | 97.5 Ų | 97.5 | 62% | 0.621 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.3 | -39.6 | 178.7 | -165.1 | 176.8 | 27.2 | 0 | 0 | 112.3 | N45 V46 G53 | N45-Q49 WeakPolarHBondContact O-CB 3.47Å; N45-Q49 PolarHBondContact O-N 3.32Å; V46-Q49 PolarHBondContact O-N 3.22Å; Q49-G53 WeakPolarHBondContact O-CA 3.06Å; Q49-G53 PolarHBondContact O-N 3.45Å |
| 50 | V | 83.1 | Confident | 76.3 | Confident | 27 Ų | 27 | 97 Ų | 97 | 16% | 0.164 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -78.6 | -35.3 | -179.9 | 178.3 | 0 | 0 | 0 | 0 | 112.3 | K20 I23 I24 V46 Q48 | K20-V50 HydrophobicContact CB-CG1 4.09Å; K20-V50 HydrophobicContact CG-CG1 4.36Å; I23-V50 HydrophobicContact CB-CG1 4.28Å; I23-V50 HydrophobicContact CG2-CG1 4.08Å; I23-V50 HydrophobicContact CG2-CG2 4.07Å; I24-V50 HydrophobicContact CD1-CB 4.23Å; I24-V50 HydrophobicContact CD1-CG1 4.11Å; I24-V50 HydrophobicContact CG1-CB 3.78Å; I24-V50 HydrophobicContact CG1-CG1 3.76Å; I24-V50 HydrophobicContact CG1-CG2 4.32Å; V46-V50 WeakPolarHBondContact O-CG2 3.43Å; V46-V50 PolarHBondContact O-N 3.34Å; Q48-V50 PolarHBondContact O-N 3.44Å |
| 51 | K | 79.4 | Confident | 75.6 | Confident | 100 Ų | 100 | 96.3 Ų | 96.3 | 44% | 0.435 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -74.2 | -41.4 | 178.1 | -72.3 | -171.9 | 177.6 | -176.4 | 0 | 112.6 | I24 T47 | I24-K51 HydrophobicContact CD1-CD 4.4Å; I24-K51 HydrophobicContact CD1-CG 3.83Å; T47-K51 HydrophobicContact CG2-CD 3.94Å; T47-K51 HydrophobicContact CG2-CG 4.41Å; T47-K51 VanDerWaalsContact O-CB 3.31Å; T47-K51 WeakPolarHBondContact O-CB 3.43Å; T47-K51 WeakPolarHBondContact O-CG 2.9Å; T47-K51 PolarHBondContact O-N 2.89Å |
| 52 | Y | 73.7 | Confident | 74.7 | Confident | 130 Ų | 130 | 94.1 Ų | 94.1 | 51% | 0.51 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -112.7 | -11.8 | -169.9 | -56.6 | -77.1 | 0 | 0 | 0 | 114.8 | Q48 Q54 Q55 | Q48-Y52 HydrophobicContact CB-CD2 4.43Å; Q48-Y52 HydrophobicContact CG-CD2 3.74Å; Q48-Y52 HydrophobicContact CG-CE2 4.28Å; Q48-Y52 WeakPolarHBondContact O-CB 3.46Å; Q48-Y52 WeakPolarHBondContact O-CD2 3.46Å; Q48-Y52 PolarHBondContact O-N 2.96Å; Y52-Q54 PolarHBondContact O-N 3.15Å; Y52-Q55 PolarHBondContact O-N 3.1Å; Y52-Q55 VanDerWaalsContact O-N 3.16Å |
| 53 | G | 65.1 | Low | 73.7 | Confident | 63 Ų | 63 | 90.4 Ų | 90.4 | 65% | 0.649 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 5.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q49 | Q49-G53 WeakPolarHBondContact O-CA 3.06Å; Q49-G53 PolarHBondContact O-N 3.45Å |
| 54 | Q | 59.8 | Low | 72.9 | Confident | 175 Ų | 175 | 95.4 Ų | 95.4 | 82% | 0.818 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.8 | 13 | 178.4 | -145.8 | 173.3 | -9.8 | 0 | 0 | 114.1 | Y52 | Y52-Q54 PolarHBondContact O-N 3.15Š|
| 55 | Q | 60.6 | Low | 72 | Confident | 103 Ų | 103 | 90.8 Ų | 90.8 | 48% | 0.481 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -107.1 | 126.7 | 171 | -61.6 | -144 | -82.6 | 0 | 0 | 110.7 | Y52 I60 | Y52-Q55 PolarHBondContact O-N 3.1Å; Y52-Q55 VanDerWaalsContact O-N 3.16Å; Q55-I60 HydrophobicContact CB-CG1 4.42Å |
| 56 | S | 62.8 | Low | 71.1 | Confident | 78 Ų | 78 | 90.8 Ų | 90.8 | 55% | 0.545 | 49% | 0.486 | S | S | . | . | trans | -56.9 | 139.2 | 174.9 | 173.6 | 0 | 0 | 0 | 0 | 110 | R58 Q59 | S56-R58 PolarHBondContact O-N 3.13Å; S56-Q59 PolarHBondContact O-N 3.14Å | ||
| 57 | A | 63.3 | Low | 70.2 | Confident | 82 Ų | 82 | 97.5 Ų | 97.5 | 68% | 0.678 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -49.4 | -26 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A61 | A57-A61 PolarHBondContact O-N 3.26Å |
| 58 | R | 64.2 | Low | 69.4 | Low | 190 Ų | 190 | 100.1 Ų | 100.1 | 72% | 0.717 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69 | -33 | 176.1 | -160.6 | 173.5 | -176.6 | 177.7 | 0.8 | 113.9 | S56 Q62 | S56-R58 PolarHBondContact O-N 3.13Å; R58-Q62 WeakPolarHBondContact O-CG 3.36Å; R58-Q62 PolarHBondContact O-N 3.04Å |
| 59 | Q | 65.4 | Low | 68.7 | Low | 102 Ų | 102 | 96.5 Ų | 96.5 | 48% | 0.477 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -77.5 | -31.3 | 178 | -74.3 | 178.3 | 5.8 | 0 | 0 | 112.2 | S56 A63 | S56-Q59 PolarHBondContact O-N 3.14Å; Q59-A63 WeakPolarHBondContact O-CB 3.28Å; Q59-A63 PolarHBondContact O-N 3.32Å |
| 60 | I | 64.5 | Low | 68.3 | Low | 64 Ų | 64 | 97.1 Ų | 97.1 | 33% | 0.328 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.6 | -45.7 | 175.3 | -62.5 | 171.3 | 0 | 0 | 0 | 109.7 | Q55 Q62 A63 E64 | Q55-I60 HydrophobicContact CB-CG1 4.42Å; I60-Q62 VanDerWaalsContact C-N 3.34Å; I60-Q62 PolarHBondContact O-N 3.5Å; I60-A63 PolarHBondContact O-N 2.85Å; I60-E64 PolarHBondContact O-N 2.92Å |
| 61 | A | 67.9 | Low | 67.8 | Low | 58 Ų | 58 | 103.6 Ų | 103.6 | 48% | 0.479 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.2 | -37.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A57 A65 | A57-A61 PolarHBondContact O-N 3.26Å; A61-A65 WeakPolarHBondContact O-CB 3.29Å; A61-A65 PolarHBondContact O-N 3.38Å |
| 62 | Q | 68.1 | Low | 67.7 | Low | 110 Ų | 110 | 102.1 Ų | 102.1 | 51% | 0.514 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.2 | -41 | 175.7 | -76.6 | 176.6 | -17.8 | 0 | 0 | 112.4 | R58 I60 E64 A65 D66 | R58-Q62 WeakPolarHBondContact O-CG 3.36Å; R58-Q62 PolarHBondContact O-N 3.04Å; I60-Q62 VanDerWaalsContact C-N 3.34Å; I60-Q62 PolarHBondContact O-N 3.5Å; Q62-E64 VanDerWaalsContact C-N 3.32Å; Q62-E64 PolarHBondContact O-N 3.44Å; Q62-A65 PolarHBondContact O-N 3.49Å; Q62-D66 WeakPolarHBondContact O-CB 2.88Å; Q62-D66 PolarHBondContact O-N 3.43Å |
| 63 | A | 66.7 | Low | 67.8 | Low | 50 Ų | 50 | 100.1 Ų | 100.1 | 41% | 0.413 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.7 | -28.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q59 I60 K67 | Q59-A63 WeakPolarHBondContact O-CB 3.28Å; Q59-A63 PolarHBondContact O-N 3.32Å; I60-A63 PolarHBondContact O-N 2.85Å; A63-K67 VanDerWaalsContact O-CG 3.3Å; A63-K67 WeakPolarHBondContact O-CG 3.32Å; A63-K67 PolarHBondContact O-N 2.91Å |
| 64 | E | 70.3 | Confident | 68.4 | Low | 127 Ų | 127 | 103.8 Ų | 103.8 | 59% | 0.593 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -77 | -40.9 | 173.1 | -71.2 | -170.5 | 130.1 | 0 | 0 | 112.1 | I60 Q62 D66 K67 T68 | I60-E64 PolarHBondContact O-N 2.92Å; Q62-E64 VanDerWaalsContact C-N 3.32Å; Q62-E64 PolarHBondContact O-N 3.44Å; E64-D66 PolarHBondContact O-N 2.72Å; E64-K67 PolarHBondContact O-N 3.46Å; E64-T68 PolarHBondContact O-N 3.47Å; E64-T68 PolarHBondContact O-OG1 2.96Å |
| 65 | A | 67.9 | Low | 69.3 | Low | 51 Ų | 51 | 102 Ų | 102 | 42% | 0.421 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A61 Q62 K67 T68 S69 | A61-A65 WeakPolarHBondContact O-CB 3.29Å; A61-A65 PolarHBondContact O-N 3.38Å; Q62-A65 PolarHBondContact O-N 3.49Å; A65-K67 VanDerWaalsContact C-N 3.31Å; A65-K67 PolarHBondContact O-N 3.04Å; A65-T68 WeakPolarHBondContact CA-OG1 3.37Å; A65-T68 PolarHBondContact O-N 2.92Å; A65-T68 PolarHBondContact O-OG1 2.99Å; A65-S69 PolarHBondContact O-N 3.01Å; A65-S69 PolarHBondContact O-OG 2.89Å |
| 66 | D | 69.6 | Low | 70.3 | Confident | 103 Ų | 103 | 103 Ų | 103 | 55% | 0.551 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.7 | -27.5 | 177.6 | -78.6 | -23.6 | 0 | 0 | 0 | 113.5 | Q62 E64 S69 K70 | Q62-D66 WeakPolarHBondContact O-CB 2.88Å; Q62-D66 PolarHBondContact O-N 3.43Å; E64-D66 PolarHBondContact O-N 2.72Å; D66-S69 WeakPolarHBondContact CA-OG 3.27Å; D66-S69 PolarHBondContact O-OG 2.86Å; D66-K70 WeakPolarHBondContact O-CB 3.39Å; D66-K70 PolarHBondContact O-N 3.44Å |
| 67 | K | 68.6 | Low | 71.3 | Confident | 149 Ų | 149 | 105 Ų | 105 | 65% | 0.648 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -76.1 | -35.2 | 173.1 | -78.9 | 176.1 | -178 | 178.8 | 0 | 111.7 | A63 E64 A65 K71 | A63-K67 VanDerWaalsContact O-CG 3.3Å; A63-K67 WeakPolarHBondContact O-CG 3.32Å; A63-K67 PolarHBondContact O-N 2.91Å; E64-K67 PolarHBondContact O-N 3.46Å; A65-K67 VanDerWaalsContact C-N 3.31Å; A65-K67 PolarHBondContact O-N 3.04Å; K67-K71 WeakPolarHBondContact O-CG 3.47Å; K67-K71 PolarHBondContact O-N 2.81Å |
| 68 | T | 68.3 | Low | 71.9 | Confident | 88 Ų | 88 | 106.2 Ų | 106.2 | 54% | 0.54 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71.4 | -41.2 | 176.7 | 49.6 | 0 | 0 | 0 | 0 | 112.2 | E64 A65 K71 T72 | E64-T68 PolarHBondContact O-N 3.47Å; E64-T68 PolarHBondContact O-OG1 2.96Å; A65-T68 WeakPolarHBondContact CA-OG1 3.37Å; A65-T68 PolarHBondContact O-N 2.92Å; A65-T68 PolarHBondContact O-OG1 2.99Å; T68-K71 PolarHBondContact O-N 3.3Å; T68-T72 WeakPolarHBondContact O-CG2 3.35Å; T68-T72 PolarHBondContact O-N 3.36Å; T68-T72 PolarHBondContact O-OG1 2.76Å |
| 69 | S | 70.2 | Confident | 72.6 | Confident | 43 Ų | 43 | 101.5 Ų | 101.5 | 30% | 0.301 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 176.8 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | A65 D66 K71 T72 D73 | A65-S69 PolarHBondContact O-N 3.01Å; A65-S69 PolarHBondContact O-OG 2.89Å; D66-S69 WeakPolarHBondContact CA-OG 3.27Å; D66-S69 PolarHBondContact O-OG 2.86Å; S69-K71 VanDerWaalsContact C-N 3.26Å; S69-K71 PolarHBondContact O-N 2.88Å; S69-T72 WeakPolarHBondContact CA-OG1 3.31Å; S69-T72 PolarHBondContact O-N 3.24Å; S69-T72 VanDerWaalsContact O-N 3.11Å; S69-T72 PolarHBondContact O-OG1 3.48Å; S69-D73 WeakPolarHBondContact O-CB 3.38Å; S69-D73 VanDerWaalsContact O-CG 3.24Å; S69-D73 PolarHBondContact O-N 3.01Å |
| 70 | K | 74.1 | Confident | 73.5 | Confident | 146 Ų | 146 | 103.1 Ų | 103.1 | 64% | 0.635 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.8 | -30.5 | 174.8 | -82.3 | 179.1 | 177.7 | 172.7 | 0 | 113.8 | D66 K74 | D66-K70 WeakPolarHBondContact O-CB 3.39Å; D66-K70 PolarHBondContact O-N 3.44Å; K70-K74 WeakPolarHBondContact O-CB 3.37Å; K70-K74 VanDerWaalsContact O-CG 3.28Å; K70-K74 WeakPolarHBondContact O-CG 3.36Å; K70-K74 PolarHBondContact O-N 3.23Å |
| 71 | K | 74.4 | Confident | 74.2 | Confident | 164 Ų | 164 | 103.9 Ų | 103.9 | 71% | 0.713 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -74.2 | -37.8 | 174.1 | -82.5 | -176.3 | 175.9 | -175.1 | 0 | 111.9 | K67 T68 S69 K75 | K67-K71 WeakPolarHBondContact O-CG 3.47Å; K67-K71 PolarHBondContact O-N 2.81Å; T68-K71 PolarHBondContact O-N 3.3Å; S69-K71 VanDerWaalsContact C-N 3.26Å; S69-K71 PolarHBondContact O-N 2.88Å; K71-K75 WeakPolarHBondContact O-CB 3.29Å; K71-K75 PolarHBondContact O-N 3.48Å; K71-K75 VanDerWaalsContact O-N 3.16Å |
| 72 | T | 75.9 | Confident | 74.5 | Confident | 69 Ų | 69 | 105.9 Ų | 105.9 | 42% | 0.423 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.1 | -37 | 177.2 | 53.4 | 0 | 0 | 0 | 0 | 112.2 | T68 S69 K75 K76 | T68-T72 WeakPolarHBondContact O-CG2 3.35Å; T68-T72 PolarHBondContact O-N 3.36Å; T68-T72 PolarHBondContact O-OG1 2.76Å; S69-T72 WeakPolarHBondContact CA-OG1 3.31Å; S69-T72 PolarHBondContact O-N 3.24Å; S69-T72 VanDerWaalsContact O-N 3.11Å; S69-T72 PolarHBondContact O-OG1 3.48Å; T72-K75 PolarHBondContact O-N 2.72Å; T72-K76 VanDerWaalsContact O-CG 3.3Å; T72-K76 WeakPolarHBondContact O-CG 3.35Å; T72-K76 PolarHBondContact O-N 2.61Å |
| 73 | D | 76.8 | Confident | 75 | Confident | 88 Ų | 88 | 106.5 Ų | 106.5 | 47% | 0.471 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.9 | -41.5 | -179.1 | -63.8 | -22.2 | 0 | 0 | 0 | 111.3 | S69 K75 K76 E77 | S69-D73 WeakPolarHBondContact O-CB 3.38Å; S69-D73 VanDerWaalsContact O-CG 3.24Å; S69-D73 PolarHBondContact O-N 3.01Å; D73-K75 VanDerWaalsContact C-N 3.28Å; D73-K75 PolarHBondContact O-N 2.79Å; D73-K76 PolarHBondContact O-N 3.06Å; D73-E77 WeakPolarHBondContact O-CB 3.37Å; D73-E77 PolarHBondContact O-N 3.32Å |
| 74 | K | 77.3 | Confident | 75.6 | Confident | 140 Ų | 140 | 111.1 Ų | 111.1 | 61% | 0.609 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.6 | -33.8 | 171.7 | -75.3 | -177.5 | 177.1 | -167.7 | 0 | 113.3 | K70 L78 | K70-K74 WeakPolarHBondContact O-CB 3.37Å; K70-K74 VanDerWaalsContact O-CG 3.28Å; K70-K74 WeakPolarHBondContact O-CG 3.36Å; K70-K74 PolarHBondContact O-N 3.23Å; K74-L78 WeakPolarHBondContact O-CB 3.39Å; K74-L78 PolarHBondContact O-N 2.99Å; K74-L78 VanDerWaalsContact O-N 3.08Å |
| 75 | K | 78.6 | Confident | 75.6 | Confident | 138 Ų | 138 | 112.5 Ų | 112.5 | 60% | 0.6 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.8 | -42.5 | 175.4 | -175.2 | 176.5 | 176.2 | -179.8 | 0 | 111.1 | K71 T72 D73 L78 D79 | K71-K75 WeakPolarHBondContact O-CB 3.29Å; K71-K75 PolarHBondContact O-N 3.48Å; K71-K75 VanDerWaalsContact O-N 3.16Å; T72-K75 PolarHBondContact O-N 2.72Å; D73-K75 VanDerWaalsContact C-N 3.28Å; D73-K75 PolarHBondContact O-N 2.79Å; K75-L78 PolarHBondContact O-N 3.02Å; K75-D79 VanDerWaalsContact O-CG 3.29Å; K75-D79 PolarHBondContact O-N 2.99Å |
| 76 | K | 82.5 | Confident | 75.8 | Confident | 123 Ų | 123 | 114.1 Ų | 114.1 | 54% | 0.535 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.4 | -42.1 | 175.8 | -71.8 | 171 | -177.9 | 176.2 | 0 | 112.1 | T72 D73 L78 D79 E80 | T72-K76 VanDerWaalsContact O-CG 3.3Å; T72-K76 WeakPolarHBondContact O-CG 3.35Å; T72-K76 PolarHBondContact O-N 2.61Å; D73-K76 PolarHBondContact O-N 3.06Å; K76-L78 PolarHBondContact O-N 3.41Å; K76-D79 PolarHBondContact O-N 2.57Å; K76-E80 WeakPolarHBondContact O-CB 3.27Å; K76-E80 WeakPolarHBondContact O-CG 3.36Å; K76-E80 PolarHBondContact O-N 3.01Å |
| 77 | E | 83.6 | Confident | 75.3 | Confident | 119 Ų | 119 | 113.1 Ų | 113.1 | 56% | 0.556 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63 | -40.3 | 176.2 | -172.8 | 179.4 | -174.2 | 0 | 0 | 112 | D73 E80 L81 | D73-E77 WeakPolarHBondContact O-CB 3.37Å; D73-E77 PolarHBondContact O-N 3.32Å; E77-E80 PolarHBondContact O-N 2.96Å; E77-L81 HydrophobicContact CG-CD1 4.31Å; E77-L81 WeakPolarHBondContact O-CB 3.4Å; E77-L81 WeakPolarHBondContact O-CG 3.44Å; E77-L81 PolarHBondContact O-N 3.49Å |
| 78 | L | 76.2 | Confident | 74.7 | Confident | 109 Ų | 109 | 113.1 Ų | 113.1 | 57% | 0.571 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.9 | -39 | 173.4 | -85.9 | 169.5 | 0 | 0 | 0 | 113 | K74 K75 K76 N82 | K74-L78 WeakPolarHBondContact O-CB 3.39Å; K74-L78 PolarHBondContact O-N 2.99Å; K74-L78 VanDerWaalsContact O-N 3.08Å; K75-L78 PolarHBondContact O-N 3.02Å; K76-L78 PolarHBondContact O-N 3.41Å; L78-N82 WeakPolarHBondContact O-CB 3.27Å; L78-N82 PolarHBondContact O-N 3.05Å |
| 79 | D | 78.8 | Confident | 74.3 | Confident | 90 Ų | 90 | 111.3 Ų | 111.3 | 48% | 0.481 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.3 | -39.2 | 177 | -72 | -22.6 | 0 | 0 | 0 | 110.9 | K75 K76 N82 E83 | K75-D79 VanDerWaalsContact O-CG 3.29Å; K75-D79 PolarHBondContact O-N 2.99Å; K76-D79 PolarHBondContact O-N 2.57Å; D79-N82 PolarHBondContact O-N 3.46Å; D79-E83 WeakPolarHBondContact O-CB 3.4Å; D79-E83 PolarHBondContact O-N 3.13Å |
| 80 | E | 83.3 | Confident | 73.8 | Confident | 137 Ų | 137 | 113.3 Ų | 113.3 | 64% | 0.64 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67 | -41.4 | 174.9 | -75.2 | 179.2 | -174.1 | 0 | 0 | 112.4 | K76 E77 E83 L84 | K76-E80 WeakPolarHBondContact O-CB 3.27Å; K76-E80 WeakPolarHBondContact O-CG 3.36Å; K76-E80 PolarHBondContact O-N 3.01Å; E77-E80 PolarHBondContact O-N 2.96Å; E80-E83 PolarHBondContact O-N 3.47Å; E80-L84 PolarHBondContact O-N 2.93Å |
| 81 | L | 79 | Confident | 73.2 | Confident | 79 Ų | 79 | 109.9 Ų | 109.9 | 41% | 0.414 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.2 | -44.3 | 173.6 | -77.8 | 164.7 | 0 | 0 | 0 | 111.2 | E77 E83 L84 F85 | E77-L81 HydrophobicContact CG-CD1 4.31Å; E77-L81 WeakPolarHBondContact O-CB 3.4Å; E77-L81 WeakPolarHBondContact O-CG 3.44Å; E77-L81 PolarHBondContact O-N 3.49Å; L81-E83 VanDerWaalsContact C-N 3.25Å; L81-E83 PolarHBondContact O-N 2.72Å; L81-L84 PolarHBondContact O-N 2.88Å; L81-F85 HydrophobicContact CD2-CE2 4.13Å; L81-F85 WeakPolarHBondContact O-CD2 3.48Å; L81-F85 PolarHBondContact O-N 3.36Å; L81-F85 VanDerWaalsContact O-N 3.1Å |
| 82 | N | 75.5 | Confident | 72.8 | Confident | 100 Ų | 100 | 105.1 Ų | 105.1 | 54% | 0.535 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.9 | -32.5 | 175.4 | -97.6 | -36.6 | 0 | 0 | 0 | 112.6 | L78 D79 K86 | L78-N82 WeakPolarHBondContact O-CB 3.27Å; L78-N82 PolarHBondContact O-N 3.05Å; D79-N82 PolarHBondContact O-N 3.46Å; N82-K86 WeakPolarHBondContact O-CG 3.37Å; N82-K86 PolarHBondContact O-N 3.45Å |
| 83 | E | 77.9 | Confident | 72.4 | Confident | 124 Ų | 124 | 111.3 Ų | 111.3 | 58% | 0.579 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -72.6 | -37.1 | 176 | -170.7 | 137.1 | -115.5 | 0 | 0 | 112.6 | D79 E80 L81 K86 | D79-E83 WeakPolarHBondContact O-CB 3.4Å; D79-E83 PolarHBondContact O-N 3.13Å; E80-E83 PolarHBondContact O-N 3.47Å; L81-E83 VanDerWaalsContact C-N 3.25Å; L81-E83 PolarHBondContact O-N 2.72Å; E83-K86 HydrophobicContact CG-CD 4.49Å; E83-K86 PolarHBondContact O-N 3.07Å; E83-K86 IonicContact OE1-NZ 2.79Å; E83-K86 PolarHBondContact OE1-NZ 3.45Å |
| 84 | L | 78.8 | Confident | 72.2 | Confident | 146 Ų | 146 | 109.3 Ų | 109.3 | 76% | 0.764 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.9 | -32.6 | 177.9 | -149.3 | 78.1 | 0 | 0 | 0 | 112.7 | E80 L81 | E80-L84 PolarHBondContact O-N 2.93Å; L81-L84 PolarHBondContact O-N 2.88Å |
| 85 | F | 71.6 | Confident | 71.8 | Confident | 156 Ų | 156 | 106.7 Ų | 106.7 | 68% | 0.684 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | 10 | 179.1 | -70.5 | -69.8 | 0 | 0 | 0 | 114.4 | L81 P87 | L81-F85 HydrophobicContact CD2-CE2 4.13Å; L81-F85 WeakPolarHBondContact O-CD2 3.48Å; L81-F85 PolarHBondContact O-N 3.36Å; L81-F85 VanDerWaalsContact O-N 3.1Å; F85-P87 WeakPolarHBondContact O-CD 3.33Å; F85-P87 VanDerWaalsContact O-N 3.11Å |
| 86 | K | 70.7 | Confident | 70.7 | Confident | 86 Ų | 86 | 110.8 Ų | 110.8 | 37% | 0.374 | 58% | 0.581 | S | S | . | * | trans | -63.4 | 112.4 | 174.2 | -74.1 | 175.8 | -173.6 | 165.1 | 0 | 109.6 | N82 E83 V88 | N82-K86 WeakPolarHBondContact O-CG 3.37Å; N82-K86 PolarHBondContact O-N 3.45Å; E83-K86 HydrophobicContact CG-CD 4.49Å; E83-K86 PolarHBondContact O-N 3.07Å; E83-K86 IonicContact OE1-NZ 2.79Å; E83-K86 PolarHBondContact OE1-NZ 3.45Å; K86-V88 PolarHBondContact O-N 2.93Å | ||
| 87 | P | 58.8 | Low | 70.3 | Confident | 82 Ų | 82 | 108.9 Ų | 108.9 | 53% | 0.532 | 60% | 0.596 | S | S | . | * | trans | -63.4 | 131.3 | 170.3 | 26.5 | -30.5 | 0 | 0 | 0 | 107.6 | F85 V89 | F85-P87 WeakPolarHBondContact O-CD 3.33Å; F85-P87 VanDerWaalsContact O-N 3.11Å; P87-V89 HydrophobicContact CG-CG2 4.29Å; P87-V89 PolarHBondContact O-N 2.84Å | ||
| 88 | V | 57.2 | Low | 69.8 | Low | 148 Ų | 148 | 106.4 Ų | 106.4 | 90% | 0.897 | 59% | 0.589 | S | S | * | * | trans | -66.7 | 83.6 | 175.6 | 179.9 | 0 | 0 | 0 | 0 | 108.1 | K86 A90 | K86-V88 PolarHBondContact O-N 2.93Å; V88-A90 PolarHBondContact O-N 3.36Å; V88-A90 VanDerWaalsContact O-N 3.08Å | ||
| 89 | V | 59.5 | Low | 69.8 | Low | 51 Ų | 51 | 107 Ų | 107 | 31% | 0.309 | 59% | 0.593 | S | S | . | * | trans | -76.5 | 98.6 | 173.5 | -176.6 | 0 | 0 | 0 | 0 | 106.8 | P87 A91 A106 | P87-V89 HydrophobicContact CG-CG2 4.29Å; P87-V89 PolarHBondContact O-N 2.84Å; V89-A91 PolarHBondContact O-N 3.07Å; V89-A106 HydrophobicContact CG1-CB 4.18Å | ||
| 90 | A | 59.3 | Low | 69.8 | Low | 85 Ų | 85 | 104.8 Ų | 104.8 | 70% | 0.702 | 58% | 0.583 | S | S | * | * | trans | -51.4 | 127.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | V88 Q92 | V88-A90 PolarHBondContact O-N 3.36Å; V88-A90 VanDerWaalsContact O-N 3.08Å; A90-Q92 PolarHBondContact O-N 3.01Å; A90-Q92 VanDerWaalsContact O-N 3.12Å | ||
| 91 | A | 62.3 | Low | 69.8 | Low | 74 Ų | 74 | 104.7 Ų | 104.7 | 61% | 0.612 | 58% | 0.58 | S | S | * | * | trans | -44.3 | 121.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V89 K93 | V89-A91 PolarHBondContact O-N 3.07Å; A91-K93 PolarHBondContact O-N 3.5Å | ||
| 92 | Q | 66.3 | Low | 69.9 | Low | 63 Ų | 63 | 103.9 Ų | 103.9 | 29% | 0.294 | 58% | 0.582 | S | S | . | * | trans | -57.2 | 103.7 | -176.3 | -170.7 | 174.7 | -9.1 | 0 | 0 | 110.3 | A90 L104 F121 | A90-Q92 PolarHBondContact O-N 3.01Å; A90-Q92 VanDerWaalsContact O-N 3.12Å; Q92-L104 PolarHBondContact NE2-O 2.99Å; Q92-L104 VanDerWaalsContact NE2-O 3.14Å; Q92-L104 PolarHBondContact OE1-O 2.83Å; Q92-F121 HydrophobicContact CB-CZ 4.4Å | ||
| 93 | K | 67.1 | Low | 70.1 | Confident | 199 Ų | 199 | 100.9 Ų | 100.9 | 87% | 0.865 | 57% | 0.567 | S | S | * | * | trans | -88.1 | 110.9 | 176.4 | -70.3 | 176.3 | -174.6 | 174.8 | 0 | 108.2 | A91 | A91-K93 PolarHBondContact O-N 3.5Š| ||
| 94 | V | 71.4 | Confident | 70.5 | Confident | 47 Ų | 47 | 96.3 Ų | 96.3 | 29% | 0.285 | 55% | 0.546 | S | S | . | . | trans | -82.4 | 139.9 | 173.4 | 179.6 | 0 | 0 | 0 | 0 | 109.1 | V98 V103 F121 | V94-V98 HydrophobicContact CG1-CB 3.76Å; V94-V98 HydrophobicContact CG1-CG1 4.22Å; V94-V103 HydrophobicContact CG1-CG2 4.37Å; V94-V103 HydrophobicContact CG2-CB 4.5Å; V94-V103 HydrophobicContact CG2-CG2 4.2Å; V94-F121 HydrophobicContact CG2-CD1 4.45Å; V94-F121 HydrophobicContact CG2-CE1 3.6Å; V94-F121 HydrophobicContact CG2-CZ 4.43Å | ||
| 95 | S | 69.9 | Low | 70.9 | Confident | 85 Ų | 85 | 89.5 Ų | 89.5 | 59% | 0.594 | 51% | 0.511 | S | S | * | . | trans | -65.1 | 150.5 | 177.7 | 50.5 | 0 | 0 | 0 | 0 | 111.5 | G97 V98 | S95-G97 PolarHBondContact O-N 2.87Å; S95-V98 PolarHBondContact O-N 3.31Å | ||
| 96 | K | 55.3 | Low | 71.5 | Confident | 224 Ų | 224 | 83.1 Ų | 83.1 | 97% | 0.974 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 99.9 | -179.1 | -65.3 | 177.4 | -178.6 | 178.8 | 0 | 109.2 | ||
| 97 | G | 73.3 | Confident | 72 | Confident | 83 Ų | 83 | 83.1 Ų | 83.1 | 86% | 0.856 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 140.5 | -12.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S95 | S95-G97 PolarHBondContact O-N 2.87Š|
| 98 | V | 74.8 | Confident | 73.4 | Confident | 66 Ų | 66 | 82.4 Ų | 82.4 | 40% | 0.4 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -102.7 | 128.9 | 176.2 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | V94 S95 P100 V103 | V94-V98 HydrophobicContact CG1-CB 3.76Å; V94-V98 HydrophobicContact CG1-CG1 4.22Å; S95-V98 PolarHBondContact O-N 3.31Å; V98-P100 WeakPolarHBondContact O-CD 3.38Å; V98-V103 HydrophobicContact CG1-CG2 3.89Å |
| 99 | D | 75.9 | Confident | 74.7 | Confident | 123 Ų | 123 | 81.2 Ų | 81.2 | 66% | 0.658 | 46% | 0.458 | S | S | * | . | trans | -60 | 122.8 | 177.5 | -78.4 | -55.7 | 0 | 0 | 0 | 110.6 | K101 S102 | D99-K101 PolarHBondContact O-N 3.33Å; D99-S102 PolarHBondContact O-N 2.52Å; D99-S102 PolarHBondContact O-OG 3.05Å | ||
| 100 | P | 78.4 | Confident | 75.6 | Confident | 42 Ų | 42 | 82.5 Ų | 82.5 | 27% | 0.273 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -58.1 | -25.5 | -176.1 | -26.2 | 34.5 | 0 | 0 | 0 | 113.5 | V98 V103 K120 F121 | V98-P100 WeakPolarHBondContact O-CD 3.38Å; P100-V103 PolarHBondContact O-N 3.01Å; P100-K120 CarbonylContact C-O 3.55Å; P100-K120 HydrophobicContact CB-CD 4.26Å; P100-K120 HydrophobicContact CB-CG 3.6Å; P100-K120 WeakPolarHBondContact CB-O 3.19Å; P100-K120 HydrophobicContact CG-CG 4.32Å; P100-F121 HydrophobicContact CB-CD1 4.47Å; P100-F121 HydrophobicContact CB-CE1 4.39Å; P100-F121 WeakPolarHBondContact O-CA 3.42Å; P100-F121 VanDerWaalsContact O-CD1 3.3Å; P100-F121 WeakPolarHBondContact O-CD1 3.31Å |
| 101 | K | 82.7 | Confident | 76.8 | Confident | 135 Ų | 135 | 81.8 Ų | 81.8 | 59% | 0.587 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -82.9 | -10.6 | -179.1 | -155.7 | 158.7 | -173.8 | 158.7 | 0 | 113.8 | D99 V103 K120 S122 | D99-K101 PolarHBondContact O-N 3.33Å; K101-V103 VanDerWaalsContact C-N 3.31Å; K101-K120 PolarHBondContact N-O 3.43Å; K101-S122 VanDerWaalsContact O-CB 3.22Å; K101-S122 WeakPolarHBondContact O-CB 3.48Å |
| 102 | S | 80.6 | Confident | 77.7 | Confident | 63 Ų | 63 | 82.2 Ų | 82.2 | 44% | 0.441 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -83.8 | -11.9 | 169.7 | 69.5 | 0 | 0 | 0 | 0 | 112.6 | D99 M127 | D99-S102 PolarHBondContact O-N 2.52Å; D99-S102 PolarHBondContact O-OG 3.05Å; S102-M127 WeakPolarHBondContact O-CE 3.22Å |
| 103 | V | 80.9 | Confident | 78.6 | Confident | 37 Ų | 37 | 80.5 Ų | 80.5 | 22% | 0.224 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -99.2 | 135.1 | -178.9 | -170.8 | 0 | 0 | 0 | 0 | 109.5 | V94 V98 P100 K101 F121 S122 | V94-V103 HydrophobicContact CG1-CG2 4.37Å; V94-V103 HydrophobicContact CG2-CB 4.5Å; V94-V103 HydrophobicContact CG2-CG2 4.2Å; V98-V103 HydrophobicContact CG1-CG2 3.89Å; P100-V103 PolarHBondContact O-N 3.01Å; K101-V103 VanDerWaalsContact C-N 3.31Å; V103-F121 HydrophobicContact CB-CD1 4.4Å; V103-S122 PolarHBondContact O-N 3.22Å; V103-S122 PolarHBondContact O-OG 2.91Å |
| 104 | L | 85.9 | Confident | 79.5 | Confident | 28 Ų | 28 | 77.7 Ų | 77.7 | 15% | 0.147 | 45% | 0.445 | C | S | . | . | B | Isolated β-bridge | trans | -67 | 136.6 | 177.2 | -82.8 | 171.8 | 0 | 0 | 0 | 112.4 | Q92 A106 S122 D124 M127 E128 | Q92-L104 PolarHBondContact NE2-O 2.99Å; Q92-L104 VanDerWaalsContact NE2-O 3.14Å; Q92-L104 PolarHBondContact OE1-O 2.83Å; L104-A106 PolarHBondContact O-N 2.98Å; L104-S122 VanDerWaalsContact CA-OG 3.28Å; L104-S122 WeakPolarHBondContact CA-OG 3.42Å; L104-S122 WeakPolarHBondContact CD2-OG 3.33Å; L104-S122 PolarHBondContact N-OG 3.49Å; L104-D124 VanDerWaalsContact CD2-C 3.44Å; L104-D124 WeakPolarHBondContact CD2-O 3.44Å; L104-M127 HydrophobicContact CD1-CB 4.01Å; L104-M127 HydrophobicContact CG-CB 4.06Å; L104-E128 HydrophobicContact CD1-CB 3.46Å; L104-E128 VanDerWaalsContact CD1-CB 3.46Å; L104-E128 HydrophobicContact CD1-CG 4.35Å; L104-E128 VanDerWaalsContact CD1-N 3.28Å |
| 105 | C | 87.1 | Confident | 80.1 | Confident | 2 Ų | 2 | 82.2 Ų | 82.2 | 1% | 0.014 | 46% | 0.461 | C | S | . | . | trans | -71.2 | 114.2 | 177.5 | -175 | 0 | 0 | 0 | 0 | 110.3 | F107 F108 K109 C119 F121 S122 | C105-F107 PolarHBondContact O-N 3.35Å; C105-F108 HydrophobicContact CB-CB 3.6Å; C105-F108 PolarHBondContact O-N 3.21Å; C105-F108 PolarHBondContact SG-N 3.46Å; C105-K109 PolarHBondContact O-N 3.1Å; C105-C119 PolarHBondContact SG-SG 3.47Å; C105-F121 VanDerWaalsContact CA-CB 3.46Å; C105-F121 HydrophobicContact CB-CB 3.47Å; C105-F121 VanDerWaalsContact CB-CB 3.47Å; C105-F121 HydrophobicContact CB-CG 4.45Å; C105-S122 WeakPolarHBondContact CB-O 3.37Å; C105-S122 PolarHBondContact N-O 3.05Å | ||
| 106 | A | 83.3 | Confident | 80.7 | Confident | 22 Ų | 22 | 79.7 Ų | 79.7 | 18% | 0.182 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -55.5 | -35.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V89 L104 Q110 | V89-A106 HydrophobicContact CG1-CB 4.18Å; L104-A106 PolarHBondContact O-N 2.98Å; A106-Q110 WeakPolarHBondContact O-CG 3.14Å; A106-Q110 PolarHBondContact O-N 3.08Å |
| 107 | F | 83.2 | Confident | 82 | Confident | 86 Ų | 86 | 76 Ų | 76 | 38% | 0.377 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -73.1 | -29.4 | 177.3 | -62.3 | -77.3 | 0 | 0 | 0 | 112.8 | C105 Q110 G111 Q112 C113 | C105-F107 PolarHBondContact O-N 3.35Å; F107-Q110 PolarHBondContact O-N 3.47Å; F107-G111 PolarHBondContact O-N 3.22Å; F107-Q112 CarbonylContact O-C 3.53Å; F107-Q112 PolarHBondContact O-N 2.97Å; F107-C113 HydrophobicContact CB-CB 4.03Å; F107-C113 PolarHBondContact O-N 3.26Å |
| 108 | F | 86.6 | Confident | 82.5 | Confident | 67 Ų | 67 | 81.6 Ų | 81.6 | 29% | 0.294 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -75.2 | -39.6 | 175.8 | -178.6 | -102.8 | 0 | 0 | 0 | 111.1 | C105 Q110 G111 C113 H123 L125 | C105-F108 HydrophobicContact CB-CB 3.6Å; C105-F108 PolarHBondContact O-N 3.21Å; C105-F108 PolarHBondContact SG-N 3.46Å; F108-Q110 PolarHBondContact O-N 3.02Å; F108-G111 PolarHBondContact O-N 2.81Å; F108-C113 HydrophobicContact CB-CB 3.91Å; F108-C113 HydrophobicContact CD2-CB 4.39Å; F108-H123 WeakPolarHBondContact CB-CD2 3.35Å; F108-H123 VanDerWaalsContact CD1-CA 3.45Å; F108-H123 HydrophobicContact CD1-CB 3.69Å; F108-H123 AromaticContact CD1-CG 3.86Å; F108-H123 HydrophobicContact CD2-CB 3.82Å; F108-H123 AromaticContact CD2-CD2 3.61Å; F108-H123 AromaticContact CD2-CE1 3.48Å; F108-H123 VanDerWaalsContact CD2-CE1 3.48Å; F108-H123 WeakPolarHBondContact CD2-CE1 3.43Å; F108-H123 AromaticContact CD2-CG 3.3Å; F108-H123 AromaticContact CD2-ND1 3.23Å; F108-H123 WeakPolarHBondContact CD2-ND1 3.48Å; F108-H123 AromaticContact CD2-NE2 3.73Å; F108-H123 VanDerWaalsContact CE1-C 3.48Å; F108-H123 HydrophobicContact CE1-CB 3.63Å; F108-H123 WeakPolarHBondContact CE1-O 3.44Å; F108-H123 HydrophobicContact CE2-CB 3.74Å; F108-H123 AromaticContact CE2-CG 3.66Å; F108-H123 AromaticContact CE2-ND1 3.52Å; F108-H123 HydrophobicContact CG-CB 3.78Å; F108-H123 AromaticContact CG-CD2 3.36Å; F108-H123 WeakPolarHBondContact CG-CD2 3.29Å; F108-H123 AromaticContact CG-CG 3.4Å; F108-H123 AromaticContact CG-ND1 3.83Å; F108-H123 AromaticContact CG-NE2 3.79Å; F108-H123 HydrophobicContact CZ-CB 3.64Å; F108-H123 WeakPolarHBondContact CZ-O 3.39Å; F108-L125 HydrophobicContact CE1-CD2 4.5Å; F108-L125 HydrophobicContact CE1-CG 4.18Å |
| 109 | K | 84.3 | Confident | 83 | Confident | 123 Ų | 123 | 78.8 Ų | 78.8 | 54% | 0.535 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -55.2 | -34.1 | 171.6 | -174.9 | 179 | 179.5 | 179.5 | 0 | 112.1 | C105 E128 | C105-K109 PolarHBondContact O-N 3.1Å; K109-E128 WeakPolarHBondContact CD-OE1 3.44Å; K109-E128 WeakPolarHBondContact CE-OE1 3.48Å; K109-E128 WeakPolarHBondContact CE-OE2 3.41Å; K109-E128 VanDerWaalsContact NZ-CD 3.34Å; K109-E128 IonicContact NZ-OE1 3.84Å; K109-E128 PolarHBondContact NZ-OE1 2.73Å; K109-E128 IonicContact NZ-OE2 3.16Å; K109-E128 PolarHBondContact NZ-OE2 2.95Å |
| 110 | Q | 79.8 | Confident | 83.5 | Confident | 78 Ų | 78 | 79.6 Ų | 79.6 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 1.7 | 176.9 | -66.9 | 172.2 | -3.4 | 0 | 0 | 113.8 | A106 F107 F108 Q112 | A106-Q110 WeakPolarHBondContact O-CG 3.14Å; A106-Q110 PolarHBondContact O-N 3.08Å; F107-Q110 PolarHBondContact O-N 3.47Å; F108-Q110 PolarHBondContact O-N 3.02Å; Q110-Q112 PolarHBondContact O-N 3.33Å |
| 111 | G | 83.2 | Confident | 83.9 | Confident | 70 Ų | 70 | 79.3 Ų | 79.3 | 72% | 0.722 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 11.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | F107 F108 | F107-G111 PolarHBondContact O-N 3.22Å; F108-G111 PolarHBondContact O-N 2.81Å |
| 112 | Q | 82.1 | Confident | 84.1 | Confident | 84 Ų | 84 | 73.4 Ų | 73.4 | 39% | 0.393 | 39% | 0.391 | S | S | . | . | trans | -107.9 | 6.6 | -175.1 | -64.5 | -177.3 | 4.5 | 0 | 0 | 113.5 | F107 Q110 T114 | F107-Q112 CarbonylContact O-C 3.53Å; F107-Q112 PolarHBondContact O-N 2.97Å; Q110-Q112 PolarHBondContact O-N 3.33Å; Q112-T114 PolarHBondContact O-N 2.93Å | ||
| 113 | C | 84.9 | Confident | 84.3 | Confident | 27 Ų | 27 | 72.2 Ų | 72.2 | 18% | 0.182 | 38% | 0.379 | C | S | . | . | trans | -75.3 | 108.4 | 179.5 | -170.6 | 0 | 0 | 0 | 0 | 111.9 | F107 F108 K115 C119 H123 | F107-C113 HydrophobicContact CB-CB 4.03Å; F107-C113 PolarHBondContact O-N 3.26Å; F108-C113 HydrophobicContact CB-CB 3.91Å; F108-C113 HydrophobicContact CD2-CB 4.39Å; C113-K115 VanDerWaalsContact C-N 3.26Å; C113-K115 PolarHBondContact O-N 3.48Å; C113-C119 VanDerWaalsContact SG-SG 3.68Å; C113-H123 VanDerWaalsContact SG-CE1 3.51Å; C113-H123 PolarHBondContact SG-NE2 3.28Å | ||
| 114 | T | 85.1 | Confident | 84.3 | Confident | 139 Ų | 139 | 74.5 Ų | 74.5 | 85% | 0.853 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -4.1 | 175.9 | 56.1 | 0 | 0 | 0 | 0 | 113.9 | Q112 | Q112-T114 PolarHBondContact O-N 2.93Š|
| 115 | K | 83.9 | Confident | 84 | Confident | 143 Ų | 143 | 78.2 Ų | 78.2 | 62% | 0.622 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -10.2 | -172.3 | -62.2 | 179.4 | -177.8 | 175.9 | 0 | 114 | C113 K118 C119 | C113-K115 VanDerWaalsContact C-N 3.26Å; C113-K115 PolarHBondContact O-N 3.48Å; K115-K118 PolarHBondContact O-N 3.33Å; K115-C119 HydrophobicContact CB-CB 3.96Å; K115-C119 PolarHBondContact O-N 3.03Å |
| 116 | G | 82.8 | Confident | 83.4 | Confident | 32 Ų | 32 | 81.5 Ų | 81.5 | 33% | 0.33 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | 49.1 | -140.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K118 C119 H123 | G116-K118 PolarHBondContact O-N 3.08Å; G116-K118 VanDerWaalsContact O-N 3.12Å; G116-C119 WeakPolarHBondContact O-CB 3.44Å; G116-C119 PolarHBondContact O-N 2.93Å; G116-H123 VanDerWaalsContact C-CE1 3.47Å; G116-H123 PolarHBondContact O-CE1 2.99Å; G116-H123 PolarHBondContact O-ND1 3Å |
| 117 | D | 82.4 | Confident | 82.7 | Confident | 145 Ų | 145 | 83.6 Ų | 83.6 | 78% | 0.775 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -67.5 | -12.8 | -178.2 | -55 | -42.1 | 0 | 0 | 0 | 114.7 | C119 | D117-C119 VanDerWaalsContact C-N 3.25Š|
| 118 | K | 84.4 | Confident | 81.7 | Confident | 201 Ų | 201 | 83.1 Ų | 83.1 | 87% | 0.874 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -87 | 3.2 | 174.1 | -59.8 | -178.8 | -174.8 | 177.9 | 0 | 112.1 | K115 G116 | K115-K118 PolarHBondContact O-N 3.33Å; G116-K118 PolarHBondContact O-N 3.08Å; G116-K118 VanDerWaalsContact O-N 3.12Å |
| 119 | C | 85.9 | Confident | 80.6 | Confident | 8 Ų | 8 | 90 Ų | 90 | 5% | 0.054 | 46% | 0.462 | C | S | . | . | trans | -61.2 | 140.7 | 174.9 | -166.9 | 0 | 0 | 0 | 0 | 110.7 | C105 C113 K115 G116 D117 F121 H123 | C105-C119 PolarHBondContact SG-SG 3.47Å; C113-C119 VanDerWaalsContact SG-SG 3.68Å; K115-C119 HydrophobicContact CB-CB 3.96Å; K115-C119 PolarHBondContact O-N 3.03Å; G116-C119 WeakPolarHBondContact O-CB 3.44Å; G116-C119 PolarHBondContact O-N 2.93Å; D117-C119 VanDerWaalsContact C-N 3.25Å; C119-F121 WeakPolarHBondContact CB-O 3.49Å; C119-F121 PolarHBondContact O-N 2.98Å; C119-H123 WeakPolarHBondContact CB-NE2 3.42Å | ||
| 120 | K | 85.8 | Confident | 79.4 | Confident | 140 Ų | 140 | 93.2 Ų | 93.2 | 61% | 0.609 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -64.3 | -22.9 | 176.2 | -178.7 | 171.5 | -179.7 | 179.5 | 0 | 111.9 | P100 K101 | P100-K120 CarbonylContact C-O 3.55Å; P100-K120 HydrophobicContact CB-CD 4.26Å; P100-K120 HydrophobicContact CB-CG 3.6Å; P100-K120 WeakPolarHBondContact CB-O 3.19Å; P100-K120 HydrophobicContact CG-CG 4.32Å; K101-K120 PolarHBondContact N-O 3.43Å |
| 121 | F | 87 | Confident | 78.2 | Confident | 35 Ų | 35 | 94.5 Ų | 94.5 | 15% | 0.154 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -110.7 | 153.2 | -179.1 | -56.9 | -70 | 0 | 0 | 0 | 110.1 | Q92 V94 P100 V103 C105 C119 | Q92-F121 HydrophobicContact CB-CZ 4.4Å; V94-F121 HydrophobicContact CG2-CD1 4.45Å; V94-F121 HydrophobicContact CG2-CE1 3.6Å; V94-F121 HydrophobicContact CG2-CZ 4.43Å; P100-F121 HydrophobicContact CB-CD1 4.47Å; P100-F121 HydrophobicContact CB-CE1 4.39Å; P100-F121 WeakPolarHBondContact O-CA 3.42Å; P100-F121 VanDerWaalsContact O-CD1 3.3Å; P100-F121 WeakPolarHBondContact O-CD1 3.31Å; V103-F121 HydrophobicContact CB-CD1 4.4Å; C105-F121 VanDerWaalsContact CA-CB 3.46Å; C105-F121 HydrophobicContact CB-CB 3.47Å; C105-F121 VanDerWaalsContact CB-CB 3.47Å; C105-F121 HydrophobicContact CB-CG 4.45Å; C119-F121 WeakPolarHBondContact CB-O 3.49Å; C119-F121 PolarHBondContact O-N 2.98Å |
| 122 | S | 87.5 | Confident | 77 | Confident | 11 Ų | 11 | 99.6 Ų | 99.6 | 8% | 0.077 | 50% | 0.498 | C | S | . | . | B | Isolated β-bridge | trans | -68.8 | 151.2 | 179.7 | 54 | 0 | 0 | 0 | 0 | 113.1 | K101 V103 L104 C105 M127 | K101-S122 VanDerWaalsContact O-CB 3.22Å; K101-S122 WeakPolarHBondContact O-CB 3.48Å; V103-S122 PolarHBondContact O-N 3.22Å; V103-S122 PolarHBondContact O-OG 2.91Å; L104-S122 VanDerWaalsContact CA-OG 3.28Å; L104-S122 WeakPolarHBondContact CA-OG 3.42Å; L104-S122 WeakPolarHBondContact CD2-OG 3.33Å; L104-S122 PolarHBondContact N-OG 3.49Å; C105-S122 WeakPolarHBondContact CB-O 3.37Å; C105-S122 PolarHBondContact N-O 3.05Å; S122-M127 WeakPolarHBondContact OG-CE 3.46Å |
| 123 | H | 85 | Confident | 75.8 | Confident | 38 Ų | 38 | 105.5 Ų | 105.5 | 18% | 0.176 | 52% | 0.522 | C | S | . | . | trans | -110.5 | 21 | 174.4 | -72.5 | -170.4 | 0 | 0 | 0 | 111.7 | F108 C113 G116 C119 | F108-H123 WeakPolarHBondContact CB-CD2 3.35Å; F108-H123 VanDerWaalsContact CD1-CA 3.45Å; F108-H123 HydrophobicContact CD1-CB 3.69Å; F108-H123 AromaticContact CD1-CG 3.86Å; F108-H123 HydrophobicContact CD2-CB 3.82Å; F108-H123 AromaticContact CD2-CD2 3.61Å; F108-H123 AromaticContact CD2-CE1 3.48Å; F108-H123 VanDerWaalsContact CD2-CE1 3.48Å; F108-H123 WeakPolarHBondContact CD2-CE1 3.43Å; F108-H123 AromaticContact CD2-CG 3.3Å; F108-H123 AromaticContact CD2-ND1 3.23Å; F108-H123 WeakPolarHBondContact CD2-ND1 3.48Å; F108-H123 AromaticContact CD2-NE2 3.73Å; F108-H123 VanDerWaalsContact CE1-C 3.48Å; F108-H123 HydrophobicContact CE1-CB 3.63Å; F108-H123 WeakPolarHBondContact CE1-O 3.44Å; F108-H123 HydrophobicContact CE2-CB 3.74Å; F108-H123 AromaticContact CE2-CG 3.66Å; F108-H123 AromaticContact CE2-ND1 3.52Å; F108-H123 HydrophobicContact CG-CB 3.78Å; F108-H123 AromaticContact CG-CD2 3.36Å; F108-H123 WeakPolarHBondContact CG-CD2 3.29Å; F108-H123 AromaticContact CG-CG 3.4Å; F108-H123 AromaticContact CG-ND1 3.83Å; F108-H123 AromaticContact CG-NE2 3.79Å; F108-H123 HydrophobicContact CZ-CB 3.64Å; F108-H123 WeakPolarHBondContact CZ-O 3.39Å; C113-H123 VanDerWaalsContact SG-CE1 3.51Å; C113-H123 PolarHBondContact SG-NE2 3.28Å; G116-H123 VanDerWaalsContact C-CE1 3.47Å; G116-H123 PolarHBondContact O-CE1 2.99Å; G116-H123 PolarHBondContact O-ND1 3Å; C119-H123 WeakPolarHBondContact CB-NE2 3.42Å | ||
| 124 | D | 81.1 | Confident | 74.5 | Confident | 86 Ų | 86 | 110.1 Ų | 110.1 | 46% | 0.46 | 54% | 0.536 | S | S | . | . | trans | -97.2 | 98.6 | -179 | -179.3 | 8.5 | 0 | 0 | 0 | 111.1 | L104 S126 M127 | L104-D124 VanDerWaalsContact CD2-C 3.44Å; L104-D124 WeakPolarHBondContact CD2-O 3.44Å; D124-S126 PolarHBondContact O-N 3.49Å; D124-S126 WeakPolarHBondContact OD1-CB 3.47Å; D124-S126 PolarHBondContact OD1-N 3.49Å; D124-M127 HydrophobicContact CB-CE 4.47Å; D124-M127 HydrophobicContact CB-CG 4.4Å; D124-M127 PolarHBondContact O-N 3.25Å | ||
| 125 | L | 78.9 | Confident | 73.3 | Confident | 105 Ų | 105 | 106.1 Ų | 106.1 | 55% | 0.55 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -56.5 | -19.2 | 179.2 | -68.3 | 162.7 | 0 | 0 | 0 | 113.3 | F108 M127 E128 | F108-L125 HydrophobicContact CE1-CD2 4.5Å; F108-L125 HydrophobicContact CE1-CG 4.18Å; L125-M127 PolarHBondContact O-N 2.81Å; L125-E128 PolarHBondContact O-N 2.67Å |
| 126 | S | 75.3 | Confident | 72.5 | Confident | 72 Ų | 72 | 105.9 Ų | 105.9 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -65 | -25.2 | 176.4 | -161.8 | 0 | 0 | 0 | 0 | 112.6 | D124 E128 | D124-S126 PolarHBondContact O-N 3.49Å; D124-S126 WeakPolarHBondContact OD1-CB 3.47Å; D124-S126 PolarHBondContact OD1-N 3.49Å; S126-E128 VanDerWaalsContact C-N 3.3Å; S126-E128 PolarHBondContact O-N 2.93Å |
| 127 | M | 67.6 | Low | 71.7 | Confident | 66 Ų | 66 | 114.8 Ų | 114.8 | 33% | 0.325 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -75.3 | -14 | 179.7 | -63.1 | -154.6 | -65.8 | 0 | 0 | 114.1 | S102 L104 S122 D124 L125 | S102-M127 WeakPolarHBondContact O-CE 3.22Å; L104-M127 HydrophobicContact CD1-CB 4.01Å; L104-M127 HydrophobicContact CG-CB 4.06Å; S122-M127 WeakPolarHBondContact OG-CE 3.46Å; D124-M127 HydrophobicContact CB-CE 4.47Å; D124-M127 HydrophobicContact CB-CG 4.4Å; D124-M127 PolarHBondContact O-N 3.25Å; L125-M127 PolarHBondContact O-N 2.81Å |
| 128 | E | 63.1 | Low | 70.7 | Confident | 76 Ų | 76 | 110.9 Ų | 110.9 | 36% | 0.355 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -30.9 | 179.6 | -166.1 | 150.1 | -134.6 | 0 | 0 | 112.9 | L104 K109 L125 S126 K130 C131 | L104-E128 HydrophobicContact CD1-CB 3.46Å; L104-E128 VanDerWaalsContact CD1-CB 3.46Å; L104-E128 HydrophobicContact CD1-CG 4.35Å; L104-E128 VanDerWaalsContact CD1-N 3.28Å; K109-E128 WeakPolarHBondContact CD-OE1 3.44Å; K109-E128 WeakPolarHBondContact CE-OE1 3.48Å; K109-E128 WeakPolarHBondContact CE-OE2 3.41Å; K109-E128 VanDerWaalsContact NZ-CD 3.34Å; K109-E128 IonicContact NZ-OE1 3.84Å; K109-E128 PolarHBondContact NZ-OE1 2.73Å; K109-E128 IonicContact NZ-OE2 3.16Å; K109-E128 PolarHBondContact NZ-OE2 2.95Å; L125-E128 PolarHBondContact O-N 2.67Å; S126-E128 VanDerWaalsContact C-N 3.3Å; S126-E128 PolarHBondContact O-N 2.93Å; E128-K130 PolarHBondContact O-N 3.09Å; E128-C131 PolarHBondContact O-N 3.3Å; E128-C131 VanDerWaalsContact O-N 3.16Å |
| 129 | R | 61.7 | Low | 69.8 | Low | 212 Ų | 212 | 103.5 Ų | 103.5 | 80% | 0.8 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -13.3 | -177.4 | -63.3 | -173.1 | -171.8 | -177 | 1.4 | 113.5 | ||
| 130 | K | 59 | Low | 68.6 | Low | 189 Ų | 189 | 108 Ų | 108 | 82% | 0.822 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 2.6 | 179.3 | -65.1 | 179.5 | -179.5 | 176.7 | 0 | 113.8 | E128 | E128-K130 PolarHBondContact O-N 3.09Š|
| 131 | C | 54.8 | Low | 67.6 | Low | 106 Ų | 106 | 109.5 Ų | 109.5 | 72% | 0.716 | 52% | 0.522 | S | S | * | . | trans | -131.4 | 28.1 | -175.3 | -154 | 0 | 0 | 0 | 0 | 113.1 | E128 K133 | E128-C131 PolarHBondContact O-N 3.3Å; E128-C131 VanDerWaalsContact O-N 3.16Å; C131-K133 PolarHBondContact O-N 3.17Å | ||
| 132 | E | 58.8 | Low | 66.5 | Low | 177 Ų | 177 | 112.4 Ų | 112.4 | 83% | 0.827 | 54% | 0.539 | S | S | * | . | trans | -60.4 | 131.7 | 168.4 | -139.3 | 162.9 | -177.7 | 0 | 0 | 108.6 | R134 | E132-R134 PolarHBondContact O-N 3.04Š| ||
| 133 | K | 56.8 | Low | 65.2 | Low | 207 Ų | 207 | 115.7 Ų | 115.7 | 90% | 0.9 | 55% | 0.554 | S | S | * | * | trans | -64.7 | 96.4 | -165.9 | -71.2 | 171.9 | -178.8 | 166.6 | 0 | 110.3 | C131 S135 | C131-K133 PolarHBondContact O-N 3.17Å; K133-S135 PolarHBondContact O-N 3.2Å | ||
| 134 | R | 57.5 | Low | 64.1 | Low | 124 Ų | 124 | 118.8 Ų | 118.8 | 47% | 0.468 | 57% | 0.572 | S | S | . | * | trans | -59 | 125.3 | 171.3 | -161.2 | 174.3 | -162.9 | -94.8 | 37.9 | 109.6 | E132 V136 V138 E140 | E132-R134 PolarHBondContact O-N 3.04Å; R134-V136 PolarHBondContact O-N 2.81Å; R134-V138 PolarHBondContact NH1-O 3.37Å; R134-E140 IonicContact CZ-OE1 2.67Å; R134-E140 IonicContact CZ-OE2 2.63Å; R134-E140 IonicContact NE-OE1 2.97Å; R134-E140 PolarHBondContact NE-OE1 3.41Å; R134-E140 IonicContact NE-OE2 2.97Å; R134-E140 PolarHBondContact NE-OE2 3.36Å; R134-E140 IonicContact NH2-OE1 2.75Å; R134-E140 IonicContact NH2-OE2 3.84Å; R134-E140 PolarHBondContact NH2-OE2 3.08Å | ||
| 135 | S | 59.6 | Low | 63.1 | Low | 55 Ų | 55 | 120.4 Ų | 120.4 | 39% | 0.385 | 58% | 0.58 | S | S | . | * | trans | -59.8 | 128.7 | 174.3 | 164.8 | 0 | 0 | 0 | 0 | 109.7 | K133 Y137 V138 | K133-S135 PolarHBondContact O-N 3.2Å; S135-Y137 PolarHBondContact O-N 3.03Å; S135-Y137 PolarHBondContact OG-N 3.16Å; S135-Y137 VanDerWaalsContact OG-N 3.15Å; S135-V138 PolarHBondContact O-N 3.43Å; S135-V138 PolarHBondContact OG-N 3.22Å | ||
| 136 | V | 67.2 | Low | 62.2 | Low | 138 Ų | 138 | 122.6 Ų | 122.6 | 84% | 0.836 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -17.8 | 173.2 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | R134 | R134-V136 PolarHBondContact O-N 2.81Š|
| 137 | Y | 65.4 | Low | 61.4 | Low | 219 Ų | 219 | 125 Ų | 125 | 86% | 0.859 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 0.4 | -176.5 | -71.5 | -84.1 | 0 | 0 | 0 | 113.8 | S135 | S135-Y137 PolarHBondContact O-N 3.03Å; S135-Y137 PolarHBondContact OG-N 3.16Å; S135-Y137 VanDerWaalsContact OG-N 3.15Å |
| 138 | V | 61.6 | Low | 61 | Low | 64 Ų | 64 | 124.9 Ų | 124.9 | 39% | 0.388 | 59% | 0.589 | S | S | . | * | trans | -117.9 | 108.7 | 173.5 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | R134 S135 E143 | R134-V138 PolarHBondContact NH1-O 3.37Å; S135-V138 PolarHBondContact O-N 3.43Å; S135-V138 PolarHBondContact OG-N 3.22Å; V138-E143 HydrophobicContact CG1-CG 4.3Å; V138-E143 VanDerWaalsContact CG1-OE1 3.28Å; V138-E143 WeakPolarHBondContact CG1-OE1 3.37Å | ||
| 139 | D | 66.1 | Low | 60.7 | Low | 46 Ų | 46 | 124.6 Ų | 124.6 | 25% | 0.246 | 59% | 0.592 | C | S | . | * | trans | -84.8 | 116.5 | 174.3 | -161 | -25 | 0 | 0 | 0 | 108.1 | R141 D142 | D139-R141 VanDerWaalsContact CG-NE 3.32Å; D139-R141 PolarHBondContact O-N 3.22Å; D139-R141 WeakPolarHBondContact OD1-CB 3.47Å; D139-R141 WeakPolarHBondContact OD1-CG 3.49Å; D139-R141 IonicContact OD1-CZ 3.5Å; D139-R141 PolarHBondContact OD1-N 3.3Å; D139-R141 VanDerWaalsContact OD1-N 3.17Å; D139-R141 IonicContact OD1-NE 2.7Å; D139-R141 PolarHBondContact OD1-NE 3.03Å; D139-R141 IonicContact OD1-NH2 3.85Å; D139-R141 IonicContact OD2-CZ 2.92Å; D139-R141 IonicContact OD2-NE 2.58Å; D139-R141 PolarHBondContact OD2-NE 3.1Å; D139-R141 IonicContact OD2-NH2 3.34Å; D139-R141 PolarHBondContact OD2-NH2 2.94Å; D139-D142 PolarHBondContact O-N 2.93Å | ||
| 140 | E | 61.3 | Low | 60.6 | Low | 102 Ų | 102 | 116.2 Ų | 116.2 | 48% | 0.477 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -54.3 | -21.4 | 174 | -73.7 | 160.8 | -172.2 | 0 | 0 | 112.1 | R134 D142 E143 D144 | R134-E140 IonicContact CZ-OE1 2.67Å; R134-E140 IonicContact CZ-OE2 2.63Å; R134-E140 IonicContact NE-OE1 2.97Å; R134-E140 PolarHBondContact NE-OE1 3.41Å; R134-E140 IonicContact NE-OE2 2.97Å; R134-E140 PolarHBondContact NE-OE2 3.36Å; R134-E140 IonicContact NH2-OE1 2.75Å; R134-E140 IonicContact NH2-OE2 3.84Å; R134-E140 PolarHBondContact NH2-OE2 3.08Å; E140-D142 VanDerWaalsContact C-N 3.26Å; E140-D142 PolarHBondContact O-N 3.46Å; E140-E143 PolarHBondContact O-N 3.49Å; E140-D144 WeakPolarHBondContact O-CB 3.49Å; E140-D144 VanDerWaalsContact O-CG 3.3Å; E140-D144 PolarHBondContact O-N 3.5Å |
| 141 | R | 65.1 | Low | 60.9 | Low | 172 Ų | 172 | 114.6 Ų | 114.6 | 65% | 0.649 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.1 | -32.9 | 172.7 | -66.4 | 178.1 | -72.2 | 179.8 | 0.4 | 112.9 | D139 L145 | D139-R141 VanDerWaalsContact CG-NE 3.32Å; D139-R141 PolarHBondContact O-N 3.22Å; D139-R141 WeakPolarHBondContact OD1-CB 3.47Å; D139-R141 WeakPolarHBondContact OD1-CG 3.49Å; D139-R141 IonicContact OD1-CZ 3.5Å; D139-R141 PolarHBondContact OD1-N 3.3Å; D139-R141 VanDerWaalsContact OD1-N 3.17Å; D139-R141 IonicContact OD1-NE 2.7Å; D139-R141 PolarHBondContact OD1-NE 3.03Å; D139-R141 IonicContact OD1-NH2 3.85Å; D139-R141 IonicContact OD2-CZ 2.92Å; D139-R141 IonicContact OD2-NE 2.58Å; D139-R141 PolarHBondContact OD2-NE 3.1Å; D139-R141 IonicContact OD2-NH2 3.34Å; D139-R141 PolarHBondContact OD2-NH2 2.94Å; R141-L145 VanDerWaalsContact O-CB 3.29Å; R141-L145 WeakPolarHBondContact O-CB 3.5Å; R141-L145 VanDerWaalsContact O-CD1 3.26Å; R141-L145 WeakPolarHBondContact O-CD1 3.3Å; R141-L145 WeakPolarHBondContact O-CG 3.4Å; R141-L145 PolarHBondContact O-N 3.39Å |
| 142 | D | 62.8 | Low | 61.4 | Low | 95 Ų | 95 | 114.7 Ų | 114.7 | 51% | 0.508 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -76.1 | -40 | 177.7 | -67.2 | -26.3 | 0 | 0 | 0 | 111 | D139 E140 D144 L145 E146 | D139-D142 PolarHBondContact O-N 2.93Å; E140-D142 VanDerWaalsContact C-N 3.26Å; E140-D142 PolarHBondContact O-N 3.46Å; D142-D144 PolarHBondContact O-N 3.33Å; D142-L145 PolarHBondContact O-N 2.87Å; D142-E146 WeakPolarHBondContact O-CB 3.33Å; D142-E146 WeakPolarHBondContact O-CG 3.49Å; D142-E146 PolarHBondContact O-N 3.28Å |
| 143 | E | 61.2 | Low | 62 | Low | 81 Ų | 81 | 108.1 Ų | 108.1 | 38% | 0.379 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.7 | -37.4 | 173.7 | -68.1 | -173.4 | -168.3 | 0 | 0 | 112.6 | V138 E140 K147 | V138-E143 HydrophobicContact CG1-CG 4.3Å; V138-E143 VanDerWaalsContact CG1-OE1 3.28Å; V138-E143 WeakPolarHBondContact CG1-OE1 3.37Å; E140-E143 PolarHBondContact O-N 3.49Å; E143-K147 WeakPolarHBondContact O-CB 3.44Å; E143-K147 WeakPolarHBondContact O-CD 3.31Å; E143-K147 VanDerWaalsContact O-CG 3.25Å; E143-K147 WeakPolarHBondContact O-CG 3.36Å; E143-K147 PolarHBondContact O-N 2.91Å; E143-K147 VanDerWaalsContact O-N 3.09Å; E143-K147 IonicContact OE2-NZ 3.26Å |
| 144 | D | 60.8 | Low | 62.7 | Low | 103 Ų | 103 | 104.1 Ų | 104.1 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.6 | -36.5 | 174 | -74 | -22.3 | 0 | 0 | 0 | 111 | E140 D142 K147 D148 | E140-D144 WeakPolarHBondContact O-CB 3.49Å; E140-D144 VanDerWaalsContact O-CG 3.3Å; E140-D144 PolarHBondContact O-N 3.5Å; D142-D144 PolarHBondContact O-N 3.33Å; D144-K147 PolarHBondContact O-N 3.46Å; D144-D148 VanDerWaalsContact O-CB 3.3Å; D144-D148 WeakPolarHBondContact O-CB 3.3Å; D144-D148 PolarHBondContact O-N 3.18Å |
| 145 | L | 59.5 | Low | 63.3 | Low | 120 Ų | 120 | 103.4 Ų | 103.4 | 63% | 0.628 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.4 | -37.1 | 174.4 | -81.5 | 162.9 | 0 | 0 | 0 | 112.9 | R141 D142 D148 | R141-L145 VanDerWaalsContact O-CB 3.29Å; R141-L145 WeakPolarHBondContact O-CB 3.5Å; R141-L145 VanDerWaalsContact O-CD1 3.26Å; R141-L145 WeakPolarHBondContact O-CD1 3.3Å; R141-L145 WeakPolarHBondContact O-CG 3.4Å; R141-L145 PolarHBondContact O-N 3.39Å; D142-L145 PolarHBondContact O-N 2.87Å; L145-D148 PolarHBondContact O-N 2.9Å |
| 146 | E | 60.5 | Low | 64.1 | Low | 150 Ų | 150 | 109 Ų | 109 | 70% | 0.701 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -71.8 | -30.3 | 176.1 | -75.3 | 180 | 169.4 | 0 | 0 | 112.4 | D142 | D142-E146 WeakPolarHBondContact O-CB 3.33Å; D142-E146 WeakPolarHBondContact O-CG 3.49Å; D142-E146 PolarHBondContact O-N 3.28Å |
| 147 | K | 57.9 | Low | 64.5 | Low | 124 Ų | 124 | 105.9 Ų | 105.9 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -81.7 | -14.9 | 173.4 | -69 | 167.3 | -166.7 | 158.7 | 0 | 113.2 | E143 D144 T149 N152 | E143-K147 WeakPolarHBondContact O-CB 3.44Å; E143-K147 WeakPolarHBondContact O-CD 3.31Å; E143-K147 VanDerWaalsContact O-CG 3.25Å; E143-K147 WeakPolarHBondContact O-CG 3.36Å; E143-K147 PolarHBondContact O-N 2.91Å; E143-K147 VanDerWaalsContact O-N 3.09Å; E143-K147 IonicContact OE2-NZ 3.26Å; D144-K147 PolarHBondContact O-N 3.46Å; K147-T149 PolarHBondContact O-N 2.78Å; K147-N152 PolarHBondContact O-ND2 3.5Å |
| 148 | D | 59.2 | Low | 65 | Low | 62 Ų | 62 | 96.2 Ų | 96.2 | 33% | 0.332 | 47% | 0.465 | S | S | . | . | trans | -86.4 | 39 | 178.1 | -144.2 | 9.4 | 0 | 0 | 0 | 112.7 | D144 L145 W153 K157 | D144-D148 VanDerWaalsContact O-CB 3.3Å; D144-D148 WeakPolarHBondContact O-CB 3.3Å; D144-D148 PolarHBondContact O-N 3.18Å; L145-D148 PolarHBondContact O-N 2.9Å; D148-W153 PolarHBondContact O-NE1 3.03Å; D148-W153 PolarHBondContact OD1-NE1 2.87Å; D148-K157 WeakPolarHBondContact OD1-CE 3.49Å; D148-K157 IonicContact OD1-NZ 3.06Å; D148-K157 PolarHBondContact OD1-NZ 3.23Å; D148-K157 IonicContact OD2-NZ 3.66Å | ||
| 149 | T | 56.9 | Low | 65.7 | Low | 70 Ų | 70 | 97.5 Ų | 97.5 | 43% | 0.429 | 47% | 0.467 | S | S | . | . | trans | -71.8 | 143.3 | 172.8 | 42.6 | 0 | 0 | 0 | 0 | 110.5 | K147 E151 N152 | K147-T149 PolarHBondContact O-N 2.78Å; T149-E151 PolarHBondContact O-N 3.2Å; T149-N152 PolarHBondContact O-N 3.41Å | ||
| 150 | M | 61 | Low | 66.3 | Low | 36 Ų | 36 | 101.6 Ų | 101.6 | 18% | 0.177 | 49% | 0.485 | C | S | . | . | G | 310 helix | trans | -55.4 | -20.4 | -173.2 | -177.5 | 165.1 | -176.8 | 0 | 0 | 114.3 | N152 W153 L158 I187 N190 | M150-N152 PolarHBondContact O-N 3.14Å; M150-W153 PolarHBondContact O-N 3Å; M150-L158 HydrophobicContact CE-CD1 4.36Å; M150-I187 HydrophobicContact CE-CG2 4.45Å; M150-N190 HydrophobicContact CG-CB 4.47Å; M150-N190 WeakPolarHBondContact SD-CA 3.39Å; M150-N190 HydrophobicContact SD-CB 4.13Å |
| 151 | E | 64.6 | Low | 67.1 | Low | 156 Ų | 156 | 97.9 Ų | 97.9 | 73% | 0.729 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -67.8 | -22.3 | 176.5 | -65.3 | 177.2 | 172.8 | 0 | 0 | 113 | T149 | T149-E151 PolarHBondContact O-N 3.2Š|
| 152 | N | 64.6 | Low | 67.6 | Low | 108 Ų | 108 | 90 Ų | 90 | 58% | 0.578 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -98.2 | 10.5 | 176.3 | -70.2 | -21.5 | 0 | 0 | 0 | 113 | K147 T149 M150 | K147-N152 PolarHBondContact O-ND2 3.5Å; T149-N152 PolarHBondContact O-N 3.41Å; M150-N152 PolarHBondContact O-N 3.14Å |
| 153 | W | 73 | Confident | 68.3 | Low | 38 Ų | 38 | 89.9 Ų | 89.9 | 14% | 0.144 | 44% | 0.439 | C | S | . | . | trans | -94.8 | 107.6 | -179.1 | -72.7 | 17.9 | 0 | 0 | 0 | 110.9 | D148 M150 K157 L158 V161 | D148-W153 PolarHBondContact O-NE1 3.03Å; D148-W153 PolarHBondContact OD1-NE1 2.87Å; M150-W153 PolarHBondContact O-N 3Å; W153-K157 HydrophobicContact CG-CD 4.09Å; W153-K157 HydrophobicContact CG-CG 4.39Å; W153-L158 HydrophobicContact CE3-CD1 4.26Å; W153-V161 HydrophobicContact CE3-CG2 4.44Å; W153-V161 HydrophobicContact CH2-CB 4.38Å; W153-V161 HydrophobicContact CH2-CG1 3.98Å; W153-V161 HydrophobicContact CH2-CG2 3.97Å; W153-V161 HydrophobicContact CZ3-CB 4Å; W153-V161 HydrophobicContact CZ3-CG1 3.84Å; W153-V161 HydrophobicContact CZ3-CG2 3.9Å | ||
| 154 | D | 70.3 | Confident | 69.1 | Low | 123 Ų | 123 | 93.6 Ų | 93.6 | 66% | 0.658 | 45% | 0.454 | S | S | * | . | trans | -61.1 | 154.6 | 168.8 | -61.1 | -40.4 | 0 | 0 | 0 | 111.4 | K156 K157 L158 | D154-K156 PolarHBondContact O-N 2.71Å; D154-K157 WeakPolarHBondContact O-CA 3.41Å; D154-K157 WeakPolarHBondContact O-CB 3.39Å; D154-K157 PolarHBondContact O-N 3.37Å; D154-L158 PolarHBondContact O-N 2.65Å | ||
| 155 | E | 70.9 | Confident | 69.6 | Low | 109 Ų | 109 | 92.2 Ų | 92.2 | 51% | 0.509 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -49.3 | -38.2 | 179 | -172.9 | 168.9 | -144.8 | 0 | 0 | 112.4 | L158 E159 | E155-L158 PolarHBondContact O-N 2.91Å; E155-E159 WeakPolarHBondContact O-CG 3.35Å; E155-E159 PolarHBondContact O-N 2.69Å |
| 156 | K | 75.8 | Confident | 69.9 | Low | 172 Ų | 172 | 87 Ų | 87 | 75% | 0.748 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -66.7 | -37.2 | 176.4 | -65.7 | 177.3 | -176.9 | 168.8 | 0 | 113.6 | D154 E160 | D154-K156 PolarHBondContact O-N 2.71Å; K156-E160 PolarHBondContact O-N 2.7Å |
| 157 | K | 76.6 | Confident | 69.9 | Low | 73 Ų | 73 | 80.7 Ų | 80.7 | 32% | 0.317 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -73.7 | -37.8 | 178.2 | -173 | 173.9 | 176.3 | -179.5 | 0 | 110.6 | D148 W153 D154 E160 V161 | D148-K157 WeakPolarHBondContact OD1-CE 3.49Å; D148-K157 IonicContact OD1-NZ 3.06Å; D148-K157 PolarHBondContact OD1-NZ 3.23Å; D148-K157 IonicContact OD2-NZ 3.66Å; W153-K157 HydrophobicContact CG-CD 4.09Å; W153-K157 HydrophobicContact CG-CG 4.39Å; D154-K157 WeakPolarHBondContact O-CA 3.41Å; D154-K157 WeakPolarHBondContact O-CB 3.39Å; D154-K157 PolarHBondContact O-N 3.37Å; K157-E160 PolarHBondContact O-N 3.41Å; K157-V161 WeakPolarHBondContact O-CG2 3.35Å; K157-V161 PolarHBondContact O-N 3.24Å |
| 158 | L | 76.1 | Confident | 70.1 | Confident | 16 Ų | 16 | 81.2 Ų | 81.2 | 8% | 0.084 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.9 | -47 | 171.7 | -178.2 | 63.1 | 0 | 0 | 0 | 111 | M150 W153 D154 E155 E160 V161 V162 Y192 L211 | M150-L158 HydrophobicContact CE-CD1 4.36Å; W153-L158 HydrophobicContact CE3-CD1 4.26Å; D154-L158 PolarHBondContact O-N 2.65Å; E155-L158 PolarHBondContact O-N 2.91Å; L158-E160 VanDerWaalsContact C-N 3.32Å; L158-E160 PolarHBondContact O-N 3.27Å; L158-V161 PolarHBondContact O-N 3.38Å; L158-V162 HydrophobicContact CD1-CG2 4.26Å; L158-V162 HydrophobicContact CG-CG2 4.39Å; L158-V162 WeakPolarHBondContact O-CB 3.46Å; L158-V162 WeakPolarHBondContact O-CG2 3.4Å; L158-V162 PolarHBondContact O-N 3.35Å; L158-Y192 HydrophobicContact CD1-CD1 3.64Å; L158-Y192 HydrophobicContact CD1-CE1 3.88Å; L158-L211 HydrophobicContact CD2-CD1 4.2Å |
| 159 | E | 74.5 | Confident | 70 | Confident | 92 Ų | 92 | 79.7 Ų | 79.7 | 43% | 0.43 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.5 | -41.7 | 174.5 | -76.5 | -176.2 | 170.1 | 0 | 0 | 112.5 | E155 N163 | E155-E159 WeakPolarHBondContact O-CG 3.35Å; E155-E159 PolarHBondContact O-N 2.69Å; E159-N163 VanDerWaalsContact O-CB 3.24Å; E159-N163 WeakPolarHBondContact O-CB 3.32Å; E159-N163 PolarHBondContact O-N 3.29Å; E159-N163 PolarHBondContact O-ND2 2.77Å |
| 160 | E | 79.6 | Confident | 70 | Confident | 132 Ų | 132 | 78 Ų | 78 | 62% | 0.617 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.6 | -46.3 | 177.8 | -168.9 | -178.5 | 167.5 | 0 | 0 | 112.1 | K156 K157 L158 N163 K164 | K156-E160 PolarHBondContact O-N 2.7Å; K157-E160 PolarHBondContact O-N 3.41Å; L158-E160 VanDerWaalsContact C-N 3.32Å; L158-E160 PolarHBondContact O-N 3.27Å; E160-N163 PolarHBondContact O-N 3.1Å; E160-K164 WeakPolarHBondContact O-CB 3.41Å; E160-K164 PolarHBondContact O-N 3.15Å |
| 161 | V | 79.3 | Confident | 70 | Confident | 23 Ų | 23 | 85.2 Ų | 85.2 | 14% | 0.139 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 179 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | W153 K157 L158 K164 K165 | W153-V161 HydrophobicContact CE3-CG2 4.44Å; W153-V161 HydrophobicContact CH2-CB 4.38Å; W153-V161 HydrophobicContact CH2-CG1 3.98Å; W153-V161 HydrophobicContact CH2-CG2 3.97Å; W153-V161 HydrophobicContact CZ3-CB 4Å; W153-V161 HydrophobicContact CZ3-CG1 3.84Å; W153-V161 HydrophobicContact CZ3-CG2 3.9Å; K157-V161 WeakPolarHBondContact O-CG2 3.35Å; K157-V161 PolarHBondContact O-N 3.24Å; L158-V161 PolarHBondContact O-N 3.38Å; V161-K164 PolarHBondContact O-N 3.34Å; V161-K165 HydrophobicContact CG1-CG 4.38Å; V161-K165 WeakPolarHBondContact O-CB 3.12Å; V161-K165 WeakPolarHBondContact O-CG 3.45Å; V161-K165 PolarHBondContact O-N 3.34Å |
| 162 | V | 75.4 | Confident | 69.8 | Low | 6 Ų | 6 | 85 Ų | 85 | 4% | 0.036 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.1 | -46.9 | 173.7 | 170 | 0 | 0 | 0 | 0 | 110.8 | L158 K164 K165 H166 F183 Y192 H209 A210 | L158-V162 HydrophobicContact CD1-CG2 4.26Å; L158-V162 HydrophobicContact CG-CG2 4.39Å; L158-V162 WeakPolarHBondContact O-CB 3.46Å; L158-V162 WeakPolarHBondContact O-CG2 3.4Å; L158-V162 PolarHBondContact O-N 3.35Å; V162-K164 VanDerWaalsContact C-N 3.33Å; V162-K164 PolarHBondContact O-N 3.41Å; V162-K165 PolarHBondContact O-N 2.9Å; V162-H166 PolarHBondContact O-N 3.22Å; V162-F183 HydrophobicContact CG2-CE2 4.3Å; V162-F183 HydrophobicContact CG2-CZ 4.3Å; V162-Y192 HydrophobicContact CG2-CE1 3.5Å; V162-Y192 VanDerWaalsContact CG2-CE1 3.5Å; V162-Y192 VanDerWaalsContact CG2-OH 3.31Å; V162-Y192 WeakPolarHBondContact CG2-OH 3.09Å; V162-H209 WeakPolarHBondContact CG1-O 3.36Å; V162-A210 HydrophobicContact CG1-CB 3.76Å |
| 163 | N | 76.8 | Confident | 69.4 | Low | 94 Ų | 94 | 84.5 Ų | 84.5 | 50% | 0.503 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.1 | -33 | 178.8 | -75.6 | -32.5 | 0 | 0 | 0 | 112.4 | E159 E160 G167 | E159-N163 VanDerWaalsContact O-CB 3.24Å; E159-N163 WeakPolarHBondContact O-CB 3.32Å; E159-N163 PolarHBondContact O-N 3.29Å; E159-N163 PolarHBondContact O-ND2 2.77Å; E160-N163 PolarHBondContact O-N 3.1Å; N163-G167 WeakPolarHBondContact O-CA 3.45Å; N163-G167 PolarHBondContact O-N 3.27Å |
| 164 | K | 77.3 | Confident | 68.7 | Low | 159 Ų | 159 | 88.2 Ų | 88.2 | 69% | 0.691 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -74.1 | -36.1 | 176.6 | -166 | 172.4 | -175.7 | 175.4 | 0 | 112.8 | E160 V161 V162 | E160-K164 WeakPolarHBondContact O-CB 3.41Å; E160-K164 PolarHBondContact O-N 3.15Å; V161-K164 PolarHBondContact O-N 3.34Å; V162-K164 VanDerWaalsContact C-N 3.33Å; V162-K164 PolarHBondContact O-N 3.41Å |
| 165 | K | 72 | Confident | 68.1 | Low | 73 Ų | 73 | 84.4 Ų | 84.4 | 32% | 0.317 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -81.1 | -38.8 | 179 | -74.8 | -80.2 | 178.2 | 167.3 | 0 | 113.2 | V161 V162 W194 | V161-K165 HydrophobicContact CG1-CG 4.38Å; V161-K165 WeakPolarHBondContact O-CB 3.12Å; V161-K165 WeakPolarHBondContact O-CG 3.45Å; V161-K165 PolarHBondContact O-N 3.34Å; V162-K165 PolarHBondContact O-N 2.9Å; K165-W194 WeakPolarHBondContact CE-O 3.38Å; K165-W194 PolarHBondContact NZ-O 3.18Å |
| 166 | H | 65 | Low | 67.8 | Low | 12 Ų | 12 | 82 Ų | 82 | 6% | 0.056 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -121.1 | -12.5 | -172.1 | -65.3 | -53.6 | 0 | 0 | 0 | 114.6 | V162 E168 A169 E170 D203 H209 | V162-H166 PolarHBondContact O-N 3.22Å; H166-E168 VanDerWaalsContact C-N 3.31Å; H166-E168 PolarHBondContact O-N 3.28Å; H166-A169 PolarHBondContact O-N 3.4Å; H166-E170 HydrophobicContact CB-CG 4.28Å; H166-E170 WeakPolarHBondContact O-CB 3.46Å; H166-E170 WeakPolarHBondContact O-CG 3.46Å; H166-E170 PolarHBondContact O-N 3.3Å; H166-D203 IonicContact CE1-OD1 3.64Å; H166-D203 IonicContact ND1-OD1 3.94Å; H166-H209 AromaticContact CE1-ND1 3.94Å; H166-H209 AromaticContact NE2-ND1 3.89Å |
| 167 | G | 61.7 | Low | 67.5 | Low | 17 Ų | 17 | 83.1 Ų | 83.1 | 18% | 0.175 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.9 | -27.1 | -176 | 0 | 0 | 0 | 0 | 0 | 115 | N163 K171 | N163-G167 WeakPolarHBondContact O-CA 3.45Å; N163-G167 PolarHBondContact O-N 3.27Å; G167-K171 WeakPolarHBondContact O-CD 3.49Å; G167-K171 VanDerWaalsContact O-CG 3.24Å; G167-K171 WeakPolarHBondContact O-CG 3.43Å |
| 168 | E | 60.8 | Low | 67.7 | Low | 134 Ų | 134 | 84.6 Ų | 84.6 | 63% | 0.626 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -84.4 | -29.4 | 175.1 | -149.6 | -169.3 | 138.8 | 0 | 0 | 112.9 | H166 K172 | H166-E168 VanDerWaalsContact C-N 3.31Å; H166-E168 PolarHBondContact O-N 3.28Å; E168-K172 IonicContact OE1-NZ 3.77Å; E168-K172 PolarHBondContact OE1-NZ 3.16Å |
| 169 | A | 58.6 | Low | 68 | Low | 30 Ų | 30 | 85.1 Ų | 85.1 | 25% | 0.248 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -78.7 | -33.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H166 | H166-A169 PolarHBondContact O-N 3.4Å |
| 170 | E | 56.8 | Low | 68.5 | Low | 34 Ų | 34 | 80.8 Ų | 80.8 | 16% | 0.159 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -73.5 | -35.2 | 176.8 | -69.8 | -74.7 | 117.4 | 0 | 0 | 112.3 | H166 K172 K173 K175 | H166-E170 HydrophobicContact CB-CG 4.28Å; H166-E170 WeakPolarHBondContact O-CB 3.46Å; H166-E170 WeakPolarHBondContact O-CG 3.46Å; H166-E170 PolarHBondContact O-N 3.3Å; E170-K172 PolarHBondContact O-N 3.17Å; E170-K173 PolarHBondContact O-N 2.89Å; E170-K175 VanDerWaalsContact OE1-CD 3.24Å; E170-K175 WeakPolarHBondContact OE1-CD 3.44Å; E170-K175 WeakPolarHBondContact OE1-CE 3.46Å; E170-K175 IonicContact OE1-NZ 2.77Å; E170-K175 PolarHBondContact OE1-NZ 2.83Å |
| 171 | K | 59.8 | Low | 68.9 | Low | 189 Ų | 189 | 82.1 Ų | 82.1 | 82% | 0.822 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -21.5 | 177.1 | -77.8 | 174.4 | -173.9 | 177.4 | 0 | 113.7 | G167 | G167-K171 WeakPolarHBondContact O-CD 3.49Å; G167-K171 VanDerWaalsContact O-CG 3.24Å; G167-K171 WeakPolarHBondContact O-CG 3.43Å |
| 172 | K | 60.3 | Low | 69.1 | Low | 150 Ų | 150 | 86.3 Ų | 86.3 | 65% | 0.652 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -5.3 | -174.4 | -69.1 | 175.6 | -172.1 | 166.2 | 0 | 113.7 | E168 E170 | E168-K172 IonicContact OE1-NZ 3.77Å; E168-K172 PolarHBondContact OE1-NZ 3.16Å; E170-K172 PolarHBondContact O-N 3.17Å |
| 173 | K | 56.4 | Low | 69.6 | Low | 99 Ų | 99 | 86 Ų | 86 | 43% | 0.43 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -137.1 | 135.2 | -176.2 | -64.3 | 176.9 | -176.2 | 169.6 | 0 | 111.8 | E170 K175 N204 | E170-K173 PolarHBondContact O-N 2.89Å; K173-K175 HydrophobicContact CB-CG 4.1Å; K173-K175 PolarHBondContact O-N 3.42Å; K173-N204 PolarHBondContact NZ-OD1 2.85Å |
| 174 | A | 58.3 | Low | 70 | Confident | 116 Ų | 116 | 83.7 Ų | 83.7 | 96% | 0.959 | 41% | 0.413 | S | S | * | . | trans | -73.9 | 84.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 175 | K | 58 | Low | 70.4 | Confident | 42 Ų | 42 | 80.7 Ų | 80.7 | 18% | 0.183 | 40% | 0.401 | C | S | . | . | trans | -95 | 158.8 | -179.9 | -64 | -174.7 | -172.5 | -175.2 | 0 | 112 | E170 K173 C205 | E170-K175 VanDerWaalsContact OE1-CD 3.24Å; E170-K175 WeakPolarHBondContact OE1-CD 3.44Å; E170-K175 WeakPolarHBondContact OE1-CE 3.46Å; E170-K175 IonicContact OE1-NZ 2.77Å; E170-K175 PolarHBondContact OE1-NZ 2.83Å; K173-K175 HydrophobicContact CB-CG 4.1Å; K173-K175 PolarHBondContact O-N 3.42Å; K175-C205 WeakPolarHBondContact CD-O 3.37Å; K175-C205 WeakPolarHBondContact CE-O 3.34Å; K175-C205 PolarHBondContact NZ-O 3.31Å | ||
| 176 | T | 63.9 | Low | 71.1 | Confident | 60 Ų | 60 | 77.5 Ų | 77.5 | 37% | 0.368 | 39% | 0.388 | S | S | . | . | trans | -68.5 | 148.4 | 179.3 | 60 | 0 | 0 | 0 | 0 | 110.7 | I178 M206 | T176-I178 PolarHBondContact O-N 3.29Å; T176-M206 PolarHBondContact OG1-O 3.48Å | ||
| 177 | Q | 70.1 | Confident | 72 | Confident | 194 Ų | 194 | 77 Ų | 77 | 91% | 0.907 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -66.9 | 1.7 | 177.4 | -69.6 | -178.8 | -10.6 | 0 | 0 | 113.6 | ||
| 178 | I | 79.9 | Confident | 73 | Confident | 104 Ų | 104 | 79.4 Ų | 79.4 | 53% | 0.533 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 130 | -173.9 | -58 | 170.1 | 0 | 0 | 0 | 109.3 | T176 Y207 R208 | T176-I178 PolarHBondContact O-N 3.29Å; I178-Y207 HydrophobicContact CB-CD1 4.13Å; I178-Y207 HydrophobicContact CG2-CD1 4.07Å; I178-Y207 HydrophobicContact CG2-CE1 4.44Å; I178-R208 PolarHBondContact O-N 3.38Å |
| 179 | V | 82.9 | Confident | 74.1 | Confident | 28 Ų | 28 | 76.7 Ų | 76.7 | 17% | 0.17 | 38% | 0.383 | C | S | . | . | B | Isolated β-bridge | trans | -73.2 | 138.9 | 177.2 | -173.1 | 0 | 0 | 0 | 0 | 110.2 | K181 F183 L184 R208 P212 | V179-K181 PolarHBondContact O-N 3.34Å; V179-F183 HydrophobicContact CG1-CD1 3.75Å; V179-F183 HydrophobicContact CG1-CE1 4.27Å; V179-L184 HydrophobicContact CG1-CD1 4.23Å; V179-L184 HydrophobicContact CG1-CD2 4Å; V179-L184 HydrophobicContact CG1-CG 3.87Å; V179-R208 WeakPolarHBondContact CA-O 3.24Å; V179-P212 HydrophobicContact CG2-CG 3.42Å; V179-P212 VanDerWaalsContact CG2-CG 3.42Å |
| 180 | C | 85.9 | Confident | 75 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 130.1 | 177 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | Y182 F183 L184 C205 R208 H209 | C180-Y182 PolarHBondContact O-N 2.84Å; C180-F183 HydrophobicContact CB-CB 3.85Å; C180-F183 WeakPolarHBondContact O-CB 3.09Å; C180-F183 PolarHBondContact O-N 3.19Å; C180-L184 PolarHBondContact O-N 3.27Å; C180-C205 VanDerWaalsContact SG-SG 3.7Å; C180-R208 PolarHBondContact N-O 3.32Å; C180-H209 WeakPolarHBondContact CB-CD2 3.31Å |
| 181 | K | 86.6 | Confident | 76.1 | Confident | 161 Ų | 161 | 83.5 Ų | 83.5 | 70% | 0.7 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -59.9 | -43 | 177.8 | -173.7 | -177.4 | 177.1 | -171.8 | 0 | 112.6 | V179 F183 L184 E185 | V179-K181 PolarHBondContact O-N 3.34Å; K181-F183 PolarHBondContact O-N 3.24Å; K181-L184 PolarHBondContact O-N 3.11Å; K181-E185 PolarHBondContact O-N 3.21Å |
| 182 | Y | 85.3 | Confident | 76.8 | Confident | 110 Ų | 110 | 74.8 Ų | 74.8 | 43% | 0.431 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.8 | -25.8 | 179.7 | -60.2 | -75.1 | 0 | 0 | 0 | 112.8 | C180 A186 W196 P199 A200 | C180-Y182 PolarHBondContact O-N 2.84Å; Y182-A186 VanDerWaalsContact O-CB 3.22Å; Y182-A186 WeakPolarHBondContact O-CB 3.33Å; Y182-A186 PolarHBondContact O-N 2.87Å; Y182-W196 WeakPolarHBondContact O-CZ2 3.04Å; Y182-P199 HydrophobicContact CD1-CG 3.71Å; Y182-P199 HydrophobicContact CD2-CG 4.39Å; Y182-P199 HydrophobicContact CE1-CG 4.28Å; Y182-P199 HydrophobicContact CG-CG 3.76Å; Y182-A200 HydrophobicContact CD2-CB 3.68Å; Y182-A200 HydrophobicContact CE2-CB 3.69Å |
| 183 | F | 84.8 | Confident | 77.5 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -72.4 | -46 | 174.3 | 171.1 | -104.5 | 0 | 0 | 0 | 111.1 | V162 V179 C180 K181 E185 A186 I187 Y192 W196 H209 A210 L211 | V162-F183 HydrophobicContact CG2-CE2 4.3Å; V162-F183 HydrophobicContact CG2-CZ 4.3Å; V179-F183 HydrophobicContact CG1-CD1 3.75Å; V179-F183 HydrophobicContact CG1-CE1 4.27Å; C180-F183 HydrophobicContact CB-CB 3.85Å; C180-F183 WeakPolarHBondContact O-CB 3.09Å; C180-F183 PolarHBondContact O-N 3.19Å; K181-F183 PolarHBondContact O-N 3.24Å; F183-E185 VanDerWaalsContact C-N 3.31Å; F183-E185 PolarHBondContact O-N 3.38Å; F183-A186 PolarHBondContact O-N 3.37Å; F183-I187 HydrophobicContact CD1-CD1 3.73Å; F183-I187 HydrophobicContact CD2-CD1 3.82Å; F183-I187 HydrophobicContact CE1-CD1 3.3Å; F183-I187 HydrophobicContact CE2-CD1 3.41Å; F183-I187 VanDerWaalsContact CE2-CD1 3.41Å; F183-I187 HydrophobicContact CE2-CG1 4.29Å; F183-I187 HydrophobicContact CG-CD1 3.98Å; F183-I187 HydrophobicContact CZ-CD1 3.15Å; F183-I187 HydrophobicContact CZ-CG1 4.41Å; F183-I187 WeakPolarHBondContact O-CG1 3.37Å; F183-I187 PolarHBondContact O-N 3.16Å; F183-Y192 AromaticContact CD2-CD2 3.78Å; F183-Y192 HydrophobicContact CD2-CD2 3.78Å; F183-Y192 AromaticContact CD2-CE2 3.53Å; F183-Y192 HydrophobicContact CD2-CE2 3.53Å; F183-Y192 AromaticContact CE2-CD2 3.85Å; F183-Y192 HydrophobicContact CE2-CD2 3.85Å; F183-Y192 HydrophobicContact CE2-CE1 4.32Å; F183-Y192 AromaticContact CE2-CE2 3.41Å; F183-Y192 HydrophobicContact CE2-CE2 3.41Å; F183-Y192 VanDerWaalsContact CE2-CE2 3.41Å; F183-Y192 HydrophobicContact CE2-CG 4.48Å; F183-Y192 AromaticContact CE2-CZ 3.68Å; F183-W196 HydrophobicContact CB-CH2 3.87Å; F183-W196 HydrophobicContact CD2-CH2 4.21Å; F183-W196 HydrophobicContact CD2-CZ3 4.08Å; F183-H209 HydrophobicContact CD2-CB 4.01Å; F183-H209 HydrophobicContact CE2-CB 4.28Å; F183-H209 HydrophobicContact CG-CB 4.34Å; F183-H209 VanDerWaalsContact CZ-C 3.44Å; F183-A210 VanDerWaalsContact CE1-C 3.44Å; F183-L211 HydrophobicContact CE1-CD1 3.77Å; F183-L211 HydrophobicContact CE1-CG 4.35Å; F183-L211 HydrophobicContact CZ-CD1 3.72Å |
| 184 | L | 85.2 | Confident | 78.1 | Confident | 46 Ų | 46 | 71.1 Ų | 71.1 | 24% | 0.241 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 172.8 | -67.5 | 174.1 | 0 | 0 | 0 | 111.3 | V179 C180 K181 A186 I187 E188 F215 | V179-L184 HydrophobicContact CG1-CD1 4.23Å; V179-L184 HydrophobicContact CG1-CD2 4Å; V179-L184 HydrophobicContact CG1-CG 3.87Å; C180-L184 PolarHBondContact O-N 3.27Å; K181-L184 PolarHBondContact O-N 3.11Å; L184-A186 PolarHBondContact O-N 3.44Å; L184-I187 PolarHBondContact O-N 3.47Å; L184-E188 WeakPolarHBondContact O-CB 3.36Å; L184-E188 WeakPolarHBondContact O-CG 3.38Å; L184-E188 PolarHBondContact O-N 2.9Å; L184-F215 HydrophobicContact CD2-CD1 4.47Å; L184-F215 HydrophobicContact CD2-CE1 3.79Å; L184-F215 HydrophobicContact CD2-CZ 4.11Å |
| 185 | E | 85.7 | Confident | 78.4 | Confident | 95 Ų | 95 | 74.5 Ų | 74.5 | 44% | 0.444 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.8 | -37.2 | 177.3 | -176.4 | 178.4 | 178.5 | 0 | 0 | 112.6 | K181 F183 N189 | K181-E185 PolarHBondContact O-N 3.21Å; F183-E185 VanDerWaalsContact C-N 3.31Å; F183-E185 PolarHBondContact O-N 3.38Å; E185-N189 WeakPolarHBondContact CG-ND2 3.45Å; E185-N189 WeakPolarHBondContact O-CB 3.46Å; E185-N189 VanDerWaalsContact O-CG 3.29Å; E185-N189 PolarHBondContact O-N 3.02Å; E185-N189 PolarHBondContact O-ND2 3.24Å |
| 186 | A | 87.1 | Confident | 79.5 | Confident | 6 Ų | 6 | 74.7 Ų | 74.7 | 5% | 0.05 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.5 | -38.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y182 F183 L184 N190 K191 Y192 W196 | Y182-A186 VanDerWaalsContact O-CB 3.22Å; Y182-A186 WeakPolarHBondContact O-CB 3.33Å; Y182-A186 PolarHBondContact O-N 2.87Å; F183-A186 PolarHBondContact O-N 3.37Å; L184-A186 PolarHBondContact O-N 3.44Å; A186-N190 PolarHBondContact O-N 2.88Å; A186-N190 VanDerWaalsContact O-N 3.17Å; A186-K191 PolarHBondContact O-N 3.33Å; A186-Y192 PolarHBondContact O-N 2.85Å; A186-W196 HydrophobicContact CB-CD2 4.17Å; A186-W196 HydrophobicContact CB-CG 4.46Å; A186-W196 HydrophobicContact CB-CH2 4.49Å; A186-W196 HydrophobicContact CB-CZ2 3.55Å |
| 187 | I | 84 | Confident | 80.3 | Confident | 3 Ų | 3 | 76.4 Ų | 76.4 | 2% | 0.015 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70.2 | -47.2 | 175.8 | -72.1 | 162.2 | 0 | 0 | 0 | 110.6 | M150 F183 L184 N189 N190 Y192 L211 L217 | M150-I187 HydrophobicContact CE-CG2 4.45Å; F183-I187 HydrophobicContact CD1-CD1 3.73Å; F183-I187 HydrophobicContact CD2-CD1 3.82Å; F183-I187 HydrophobicContact CE1-CD1 3.3Å; F183-I187 HydrophobicContact CE2-CD1 3.41Å; F183-I187 VanDerWaalsContact CE2-CD1 3.41Å; F183-I187 HydrophobicContact CE2-CG1 4.29Å; F183-I187 HydrophobicContact CG-CD1 3.98Å; F183-I187 HydrophobicContact CZ-CD1 3.15Å; F183-I187 HydrophobicContact CZ-CG1 4.41Å; F183-I187 WeakPolarHBondContact O-CG1 3.37Å; F183-I187 PolarHBondContact O-N 3.16Å; L184-I187 PolarHBondContact O-N 3.47Å; I187-N189 PolarHBondContact O-N 2.94Å; I187-N190 PolarHBondContact O-N 3.18Å; I187-N190 PolarHBondContact O-OD1 2.75Å; I187-Y192 HydrophobicContact CG1-CD1 4.45Å; I187-Y192 HydrophobicContact CG1-CD2 4.48Å; I187-Y192 HydrophobicContact CG1-CG 4.01Å; I187-L211 HydrophobicContact CD1-CD1 3.5Å; I187-L211 HydrophobicContact CD1-CG 4.47Å; I187-L217 HydrophobicContact CG2-CD1 4.07Å; I187-L217 HydrophobicContact CG2-CD2 3.36Å; I187-L217 HydrophobicContact CG2-CG 3.83Å |
| 188 | E | 83.1 | Confident | 81 | Confident | 66 Ų | 66 | 67.3 Ų | 67.3 | 31% | 0.308 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.1 | -32.7 | 175.6 | -76.1 | -177.8 | 162.5 | 0 | 0 | 111.7 | L184 K218 K219 | L184-E188 WeakPolarHBondContact O-CB 3.36Å; L184-E188 WeakPolarHBondContact O-CG 3.38Å; L184-E188 PolarHBondContact O-N 2.9Å; E188-K218 IonicContact OE1-NZ 3.71Å; E188-K218 PolarHBondContact OE1-NZ 3.02Å; E188-K219 WeakPolarHBondContact O-CE 3.45Å; E188-K219 PolarHBondContact O-NZ 3.22Å |
| 189 | N | 82.4 | Confident | 81.2 | Confident | 78 Ų | 78 | 66.9 Ų | 66.9 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 6.8 | 177.9 | -71.1 | -51.9 | 0 | 0 | 0 | 114.8 | E185 I187 K191 | E185-N189 WeakPolarHBondContact CG-ND2 3.45Å; E185-N189 WeakPolarHBondContact O-CB 3.46Å; E185-N189 VanDerWaalsContact O-CG 3.29Å; E185-N189 PolarHBondContact O-N 3.02Å; E185-N189 PolarHBondContact O-ND2 3.24Å; I187-N189 PolarHBondContact O-N 2.94Å; N189-K191 HydrophobicContact CB-CD 3.96Å; N189-K191 HydrophobicContact CB-CG 4.09Å; N189-K191 PolarHBondContact O-N 3.48Å; N189-K191 VanDerWaalsContact O-N 3.13Å |
| 190 | N | 78.1 | Confident | 80.8 | Confident | 60 Ų | 60 | 68.1 Ų | 68.1 | 32% | 0.321 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 25.3 | -175.3 | -58.4 | -12 | 0 | 0 | 0 | 114.1 | M150 A186 I187 K219 | M150-N190 HydrophobicContact CG-CB 4.47Å; M150-N190 WeakPolarHBondContact SD-CA 3.39Å; M150-N190 HydrophobicContact SD-CB 4.13Å; A186-N190 PolarHBondContact O-N 2.88Å; A186-N190 VanDerWaalsContact O-N 3.17Å; I187-N190 PolarHBondContact O-N 3.18Å; I187-N190 PolarHBondContact O-OD1 2.75Å; N190-K219 PolarHBondContact ND2-NZ 3.11Å; N190-K219 PolarHBondContact OD1-NZ 3.28Å |
| 191 | K | 79.3 | Confident | 80.1 | Confident | 147 Ų | 147 | 69.9 Ų | 69.9 | 64% | 0.639 | 36% | 0.355 | S | S | * | . | trans | -96.3 | -1.1 | -179.6 | -69.3 | 174.7 | -175.3 | 174.2 | 0 | 112.6 | A186 N189 G193 W196 | A186-K191 PolarHBondContact O-N 3.33Å; N189-K191 HydrophobicContact CB-CD 3.96Å; N189-K191 HydrophobicContact CB-CG 4.09Å; N189-K191 PolarHBondContact O-N 3.48Å; N189-K191 VanDerWaalsContact O-N 3.13Å; K191-G193 PolarHBondContact O-N 3.38Å; K191-W196 VanDerWaalsContact O-CD1 3.24Å | ||
| 192 | Y | 74.9 | Confident | 79.6 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 2% | 0.02 | 33% | 0.328 | C | S | . | . | trans | -84.6 | 98.7 | 179.5 | -173.5 | -92 | 0 | 0 | 0 | 110.2 | L158 V162 F183 A186 I187 W196 | L158-Y192 HydrophobicContact CD1-CD1 3.64Å; L158-Y192 HydrophobicContact CD1-CE1 3.88Å; V162-Y192 HydrophobicContact CG2-CE1 3.5Å; V162-Y192 VanDerWaalsContact CG2-CE1 3.5Å; V162-Y192 VanDerWaalsContact CG2-OH 3.31Å; V162-Y192 WeakPolarHBondContact CG2-OH 3.09Å; F183-Y192 AromaticContact CD2-CD2 3.78Å; F183-Y192 HydrophobicContact CD2-CD2 3.78Å; F183-Y192 AromaticContact CD2-CE2 3.53Å; F183-Y192 HydrophobicContact CD2-CE2 3.53Å; F183-Y192 AromaticContact CE2-CD2 3.85Å; F183-Y192 HydrophobicContact CE2-CD2 3.85Å; F183-Y192 HydrophobicContact CE2-CE1 4.32Å; F183-Y192 AromaticContact CE2-CE2 3.41Å; F183-Y192 HydrophobicContact CE2-CE2 3.41Å; F183-Y192 VanDerWaalsContact CE2-CE2 3.41Å; F183-Y192 HydrophobicContact CE2-CG 4.48Å; F183-Y192 AromaticContact CE2-CZ 3.68Å; A186-Y192 PolarHBondContact O-N 2.85Å; I187-Y192 HydrophobicContact CG1-CD1 4.45Å; I187-Y192 HydrophobicContact CG1-CD2 4.48Å; I187-Y192 HydrophobicContact CG1-CG 4.01Å; Y192-W196 HydrophobicContact CD2-CB 4.33Å; Y192-W196 AromaticContact CD2-CD2 3.62Å; Y192-W196 HydrophobicContact CD2-CD2 3.62Å; Y192-W196 AromaticContact CD2-CE3 3.33Å; Y192-W196 HydrophobicContact CD2-CE3 3.33Å; Y192-W196 HydrophobicContact CD2-CG 4.07Å; Y192-W196 HydrophobicContact CD2-CH2 4.48Å; Y192-W196 AromaticContact CD2-CZ3 3.8Å; Y192-W196 HydrophobicContact CD2-CZ3 3.8Å; Y192-W196 HydrophobicContact CE2-CD2 4.06Å; Y192-W196 AromaticContact CE2-CE3 3.27Å; Y192-W196 HydrophobicContact CE2-CE3 3.27Å; Y192-W196 AromaticContact CE2-CZ3 3.59Å; Y192-W196 HydrophobicContact CE2-CZ3 3.59Å | ||
| 193 | G | 75.2 | Confident | 78.8 | Confident | 27 Ų | 27 | 62.6 Ų | 62.6 | 28% | 0.278 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -136.1 | -170.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K191 F195 W196 | K191-G193 PolarHBondContact O-N 3.38Å; G193-F195 PolarHBondContact O-N 3.06Å; G193-W196 WeakPolarHBondContact O-CB 3.49Å; G193-W196 PolarHBondContact O-N 3.43Å |
| 194 | W | 68.3 | Low | 78.2 | Confident | 146 Ų | 146 | 67.8 Ų | 67.8 | 55% | 0.553 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -26.9 | -178.8 | -178.7 | -95.1 | 0 | 0 | 0 | 113.9 | K165 | K165-W194 WeakPolarHBondContact CE-O 3.38Å; K165-W194 PolarHBondContact NZ-O 3.18Å |
| 195 | F | 65.5 | Low | 77.9 | Confident | 187 Ų | 187 | 65.7 Ų | 65.7 | 82% | 0.82 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 4.4 | -179.9 | -68.2 | -79.8 | 0 | 0 | 0 | 114.4 | G193 V197 | G193-F195 PolarHBondContact O-N 3.06Å; F195-V197 PolarHBondContact O-N 3.05Å |
| 196 | W | 81.8 | Confident | 77.5 | Confident | 46 Ų | 46 | 67 Ų | 67 | 17% | 0.174 | 36% | 0.359 | C | S | . | . | trans | -75.7 | 128.1 | -179.3 | -173.6 | 84.7 | 0 | 0 | 0 | 111.5 | Y182 F183 A186 K191 Y192 G193 C198 | Y182-W196 WeakPolarHBondContact O-CZ2 3.04Å; F183-W196 HydrophobicContact CB-CH2 3.87Å; F183-W196 HydrophobicContact CD2-CH2 4.21Å; F183-W196 HydrophobicContact CD2-CZ3 4.08Å; A186-W196 HydrophobicContact CB-CD2 4.17Å; A186-W196 HydrophobicContact CB-CG 4.46Å; A186-W196 HydrophobicContact CB-CH2 4.49Å; A186-W196 HydrophobicContact CB-CZ2 3.55Å; K191-W196 VanDerWaalsContact O-CD1 3.24Å; Y192-W196 HydrophobicContact CD2-CB 4.33Å; Y192-W196 AromaticContact CD2-CD2 3.62Å; Y192-W196 HydrophobicContact CD2-CD2 3.62Å; Y192-W196 AromaticContact CD2-CE3 3.33Å; Y192-W196 HydrophobicContact CD2-CE3 3.33Å; Y192-W196 HydrophobicContact CD2-CG 4.07Å; Y192-W196 HydrophobicContact CD2-CH2 4.48Å; Y192-W196 AromaticContact CD2-CZ3 3.8Å; Y192-W196 HydrophobicContact CD2-CZ3 3.8Å; Y192-W196 HydrophobicContact CE2-CD2 4.06Å; Y192-W196 AromaticContact CE2-CE3 3.27Å; Y192-W196 HydrophobicContact CE2-CE3 3.27Å; Y192-W196 AromaticContact CE2-CZ3 3.59Å; Y192-W196 HydrophobicContact CE2-CZ3 3.59Å; G193-W196 WeakPolarHBondContact O-CB 3.49Å; G193-W196 PolarHBondContact O-N 3.43Å; W196-C198 HydrophobicContact CH2-CB 3.81Å; W196-C198 HydrophobicContact CZ2-CB 4.46Å; W196-C198 HydrophobicContact CZ3-CB 4.08Å | ||
| 197 | V | 81 | Confident | 77.2 | Confident | 95 Ų | 95 | 71.9 Ų | 71.9 | 58% | 0.576 | 38% | 0.376 | S | S | * | . | trans | -125 | 130.5 | 177.3 | 179.5 | 0 | 0 | 0 | 0 | 107.7 | F195 P199 G202 | F195-V197 PolarHBondContact O-N 3.05Å; V197-P199 WeakPolarHBondContact O-CD 3.04Å; V197-G202 VanDerWaalsContact CG1-CA 3.44Å | ||
| 198 | C | 83.3 | Confident | 77 | Confident | 3 Ų | 3 | 76 Ų | 76 | 2% | 0.02 | 39% | 0.392 | C | S | . | . | trans | -61.9 | 124.1 | -179.6 | -179.3 | 0 | 0 | 0 | 0 | 111.1 | W196 A200 G201 G202 C205 H209 | W196-C198 HydrophobicContact CH2-CB 3.81Å; W196-C198 HydrophobicContact CZ2-CB 4.46Å; W196-C198 HydrophobicContact CZ3-CB 4.08Å; C198-A200 PolarHBondContact O-N 3.22Å; C198-A200 PolarHBondContact SG-N 3.39Å; C198-G201 PolarHBondContact O-N 2.79Å; C198-G202 WeakPolarHBondContact O-CA 3.09Å; C198-G202 PolarHBondContact O-N 2.95Å; C198-C205 HydrophobicContact CB-CB 4.48Å; C198-H209 WeakPolarHBondContact CB-CE1 3.39Å; C198-H209 VanDerWaalsContact CB-NE2 3.33Å; C198-H209 WeakPolarHBondContact CB-NE2 2.93Å; C198-H209 PolarHBondContact SG-NE2 3.06Å | ||
| 199 | P | 84.4 | Confident | 76.8 | Confident | 96 Ų | 96 | 72.9 Ų | 72.9 | 62% | 0.623 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -18.3 | 180 | 25.2 | -33.1 | 0 | 0 | 0 | 113.4 | Y182 V197 G201 | Y182-P199 HydrophobicContact CD1-CG 3.71Å; Y182-P199 HydrophobicContact CD2-CG 4.39Å; Y182-P199 HydrophobicContact CE1-CG 4.28Å; Y182-P199 HydrophobicContact CG-CG 3.76Å; V197-P199 WeakPolarHBondContact O-CD 3.04Å; P199-G201 VanDerWaalsContact C-N 3.33Å; P199-G201 PolarHBondContact O-N 3.04Å |
| 200 | A | 75 | Confident | 76.7 | Confident | 54 Ų | 54 | 69.7 Ų | 69.7 | 45% | 0.446 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -3.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y182 C198 | Y182-A200 HydrophobicContact CD2-CB 3.68Å; Y182-A200 HydrophobicContact CE2-CB 3.69Å; C198-A200 PolarHBondContact O-N 3.22Å; C198-A200 PolarHBondContact SG-N 3.39Å |
| 201 | G | 71.3 | Confident | 76.7 | Confident | 37 Ų | 37 | 67.9 Ų | 67.9 | 38% | 0.381 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 158 | 16.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | C198 P199 D203 N204 C205 | C198-G201 PolarHBondContact O-N 2.79Å; P199-G201 VanDerWaalsContact C-N 3.33Å; P199-G201 PolarHBondContact O-N 3.04Å; G201-D203 PolarHBondContact O-N 3.04Å; G201-N204 CarbonylContact O-C 3.43Å; G201-N204 WeakPolarHBondContact O-CA 2.8Å; G201-N204 WeakPolarHBondContact O-CB 3.22Å; G201-N204 PolarHBondContact O-N 3Å; G201-C205 PolarHBondContact O-N 3.39Å |
| 202 | G | 76.7 | Confident | 76.6 | Confident | 12 Ų | 12 | 63.3 Ų | 63.3 | 12% | 0.124 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | 50.4 | -124.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V197 C198 N204 C205 H209 | V197-G202 VanDerWaalsContact CG1-CA 3.44Å; C198-G202 WeakPolarHBondContact O-CA 3.09Å; C198-G202 PolarHBondContact O-N 2.95Å; G202-N204 PolarHBondContact O-N 2.83Å; G202-C205 PolarHBondContact O-N 2.9Å; G202-H209 PolarHBondContact O-CE1 3.45Å |
| 203 | D | 67.3 | Low | 76.5 | Confident | 105 Ų | 105 | 69 Ų | 69 | 56% | 0.561 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -71.9 | -10.7 | 177.3 | -59.1 | -39.9 | 0 | 0 | 0 | 113.8 | H166 G201 | H166-D203 IonicContact CE1-OD1 3.64Å; H166-D203 IonicContact ND1-OD1 3.94Å; G201-D203 PolarHBondContact O-N 3.04Å |
| 204 | N | 73.1 | Confident | 76.2 | Confident | 109 Ų | 109 | 71.3 Ų | 71.3 | 58% | 0.583 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -105.5 | 17 | 179.6 | -156.9 | 25.8 | 0 | 0 | 0 | 113.7 | K173 G201 G202 M206 | K173-N204 PolarHBondContact NZ-OD1 2.85Å; G201-N204 CarbonylContact O-C 3.43Å; G201-N204 WeakPolarHBondContact O-CA 2.8Å; G201-N204 WeakPolarHBondContact O-CB 3.22Å; G201-N204 PolarHBondContact O-N 3Å; G202-N204 PolarHBondContact O-N 2.83Å; N204-M206 PolarHBondContact O-N 2.88Å |
| 205 | C | 77.8 | Confident | 76.5 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 2% | 0.02 | 39% | 0.389 | C | S | . | . | trans | -55.5 | 137.1 | 173.5 | -172.1 | 0 | 0 | 0 | 0 | 111.3 | K175 C180 C198 G201 G202 Y207 H209 | K175-C205 WeakPolarHBondContact CD-O 3.37Å; K175-C205 WeakPolarHBondContact CE-O 3.34Å; K175-C205 PolarHBondContact NZ-O 3.31Å; C180-C205 VanDerWaalsContact SG-SG 3.7Å; C198-C205 HydrophobicContact CB-CB 4.48Å; G201-C205 PolarHBondContact O-N 3.39Å; G202-C205 PolarHBondContact O-N 2.9Å; C205-Y207 PolarHBondContact O-N 2.9Å; C205-H209 WeakPolarHBondContact CB-CE1 2.95Å; C205-H209 VanDerWaalsContact CB-NE2 3.33Å; C205-H209 WeakPolarHBondContact CB-NE2 3.36Å; C205-H209 PolarHBondContact SG-NE2 2.95Å | ||
| 206 | M | 78 | Confident | 76.8 | Confident | 122 Ų | 122 | 62.5 Ų | 62.5 | 60% | 0.601 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -69.3 | -23.4 | 178.3 | -175.4 | 62.3 | 73.3 | 0 | 0 | 112.8 | T176 N204 | T176-M206 PolarHBondContact OG1-O 3.48Å; N204-M206 PolarHBondContact O-N 2.88Å |
| 207 | Y | 81 | Confident | 76.4 | Confident | 108 Ų | 108 | 61.2 Ų | 61.2 | 42% | 0.424 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -102.6 | 155.3 | -175.8 | -54.7 | -70.7 | 0 | 0 | 0 | 111 | I178 C205 | I178-Y207 HydrophobicContact CB-CD1 4.13Å; I178-Y207 HydrophobicContact CG2-CD1 4.07Å; I178-Y207 HydrophobicContact CG2-CE1 4.44Å; C205-Y207 PolarHBondContact O-N 2.9Å |
| 208 | R | 79.3 | Confident | 75.9 | Confident | 89 Ų | 89 | 63.5 Ų | 63.5 | 34% | 0.336 | 37% | 0.368 | S | S | . | . | B | Isolated β-bridge | trans | -74.3 | 129.7 | -175.4 | -177.1 | 175.3 | 163.8 | 77.8 | 0.7 | 111.5 | I178 V179 C180 A210 | I178-R208 PolarHBondContact O-N 3.38Å; V179-R208 WeakPolarHBondContact CA-O 3.24Å; C180-R208 PolarHBondContact N-O 3.32Å; R208-A210 HydrophobicContact CG-CB 4.21Å |
| 209 | H | 78.7 | Confident | 75.1 | Confident | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.009 | 39% | 0.387 | C | S | . | . | trans | -98.9 | 54.1 | 173.9 | -61.3 | 151.4 | 0 | 0 | 0 | 111.6 | V162 H166 C180 F183 C198 G202 C205 | V162-H209 WeakPolarHBondContact CG1-O 3.36Å; H166-H209 AromaticContact CE1-ND1 3.94Å; H166-H209 AromaticContact NE2-ND1 3.89Å; C180-H209 WeakPolarHBondContact CB-CD2 3.31Å; F183-H209 HydrophobicContact CD2-CB 4.01Å; F183-H209 HydrophobicContact CE2-CB 4.28Å; F183-H209 HydrophobicContact CG-CB 4.34Å; F183-H209 VanDerWaalsContact CZ-C 3.44Å; C198-H209 WeakPolarHBondContact CB-CE1 3.39Å; C198-H209 VanDerWaalsContact CB-NE2 3.33Å; C198-H209 WeakPolarHBondContact CB-NE2 2.93Å; C198-H209 PolarHBondContact SG-NE2 3.06Å; G202-H209 PolarHBondContact O-CE1 3.45Å; C205-H209 WeakPolarHBondContact CB-CE1 2.95Å; C205-H209 VanDerWaalsContact CB-NE2 3.33Å; C205-H209 WeakPolarHBondContact CB-NE2 3.36Å; C205-H209 PolarHBondContact SG-NE2 2.95Å | ||
| 210 | A | 81 | Confident | 74.3 | Confident | 10 Ų | 10 | 67.2 Ų | 67.2 | 8% | 0.083 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -151.6 | 142.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | V162 F183 R208 | V162-A210 HydrophobicContact CG1-CB 3.76Å; F183-A210 VanDerWaalsContact CE1-C 3.44Å; R208-A210 HydrophobicContact CG-CB 4.21Å |
| 211 | L | 78.6 | Confident | 73.8 | Confident | 23 Ų | 23 | 70 Ų | 70 | 12% | 0.12 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 136.7 | 174.1 | -74.1 | 83.5 | 0 | 0 | 0 | 108.9 | L158 F183 I187 F215 L217 | L158-L211 HydrophobicContact CD2-CD1 4.2Å; F183-L211 HydrophobicContact CE1-CD1 3.77Å; F183-L211 HydrophobicContact CE1-CG 4.35Å; F183-L211 HydrophobicContact CZ-CD1 3.72Å; I187-L211 HydrophobicContact CD1-CD1 3.5Å; I187-L211 HydrophobicContact CD1-CG 4.47Å; L211-F215 HydrophobicContact CD2-CD1 3.92Å; L211-F215 HydrophobicContact CG-CD1 4.4Å; L211-L217 HydrophobicContact CD2-CD1 3.48Å; L211-L217 VanDerWaalsContact CD2-CD1 3.48Å |
| 212 | P | 76.6 | Confident | 73.3 | Confident | 51 Ų | 51 | 74.9 Ų | 74.9 | 33% | 0.331 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -61 | 145.2 | 165.4 | -21.4 | 34.4 | 0 | 0 | 0 | 109.8 | V179 G214 F215 | V179-P212 HydrophobicContact CG2-CG 3.42Å; V179-P212 VanDerWaalsContact CG2-CG 3.42Å; P212-G214 PolarHBondContact O-N 3.18Å; P212-F215 WeakPolarHBondContact O-CB 3.24Å; P212-F215 PolarHBondContact O-N 3.34Å; P212-F215 VanDerWaalsContact O-N 3.16Å |
| 213 | P | 72.9 | Confident | 72.4 | Confident | 125 Ų | 125 | 80.7 Ų | 80.7 | 81% | 0.812 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 122.9 | 177 | 24.4 | -33 | 0 | 0 | 0 | 110.1 | ||
| 214 | G | 68.2 | Low | 72 | Confident | 74 Ų | 74 | 82.8 Ų | 82.8 | 76% | 0.763 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.3 | 10.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | P212 V216 | P212-G214 PolarHBondContact O-N 3.18Å; G214-V216 PolarHBondContact O-N 2.92Å |
| 215 | F | 74.3 | Confident | 71.2 | Confident | 83 Ų | 83 | 85.4 Ų | 85.4 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | trans | -86.5 | 99.8 | 175.5 | -174.8 | -94.8 | 0 | 0 | 0 | 111.6 | L184 L211 P212 | L184-F215 HydrophobicContact CD2-CD1 4.47Å; L184-F215 HydrophobicContact CD2-CE1 3.79Å; L184-F215 HydrophobicContact CD2-CZ 4.11Å; L211-F215 HydrophobicContact CD2-CD1 3.92Å; L211-F215 HydrophobicContact CG-CD1 4.4Å; P212-F215 WeakPolarHBondContact O-CB 3.24Å; P212-F215 PolarHBondContact O-N 3.34Å; P212-F215 VanDerWaalsContact O-N 3.16Å | ||
| 216 | V | 71.7 | Confident | 70.2 | Confident | 66 Ų | 66 | 92.3 Ų | 92.3 | 40% | 0.4 | 46% | 0.457 | S | S | . | . | trans | -80.7 | 128.3 | 176 | -172.8 | 0 | 0 | 0 | 0 | 110.6 | G214 D220 K221 | G214-V216 PolarHBondContact O-N 2.92Å; V216-D220 HydrophobicContact CG1-CB 4.26Å; V216-K221 HydrophobicContact CB-CG 4.41Å; V216-K221 HydrophobicContact CG1-CG 3.79Å | ||
| 217 | L | 73.6 | Confident | 69.2 | Low | 18 Ų | 18 | 93.2 Ų | 93.2 | 9% | 0.094 | 46% | 0.46 | C | S | . | . | trans | -63.1 | 148.8 | 176.4 | -80.8 | 61.4 | 0 | 0 | 0 | 111.1 | I187 L211 K219 D220 K221 | I187-L217 HydrophobicContact CG2-CD1 4.07Å; I187-L217 HydrophobicContact CG2-CD2 3.36Å; I187-L217 HydrophobicContact CG2-CG 3.83Å; L211-L217 HydrophobicContact CD2-CD1 3.48Å; L211-L217 VanDerWaalsContact CD2-CD1 3.48Å; L217-K219 PolarHBondContact O-N 2.83Å; L217-D220 PolarHBondContact O-N 2.98Å; L217-K221 PolarHBondContact O-N 3.25Å | ||
| 218 | K | 70.1 | Confident | 68.2 | Low | 144 Ų | 144 | 96.6 Ų | 96.6 | 63% | 0.626 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.2 | -28.9 | 176.1 | -63.5 | 176.3 | -168.2 | 135.6 | 0 | 113.6 | E188 K222 | E188-K218 IonicContact OE1-NZ 3.71Å; E188-K218 PolarHBondContact OE1-NZ 3.02Å; K218-K222 PolarHBondContact O-N 2.98Å |
| 219 | K | 68.1 | Low | 67.5 | Low | 96 Ų | 96 | 100.3 Ų | 100.3 | 42% | 0.417 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.9 | -41.3 | 177.2 | -79 | 179.7 | 165.7 | 174.8 | 0 | 111.7 | E188 N190 L217 K222 K223 | E188-K219 WeakPolarHBondContact O-CE 3.45Å; E188-K219 PolarHBondContact O-NZ 3.22Å; N190-K219 PolarHBondContact ND2-NZ 3.11Å; N190-K219 PolarHBondContact OD1-NZ 3.28Å; L217-K219 PolarHBondContact O-N 2.83Å; K219-K222 PolarHBondContact O-N 2.76Å; K219-K223 PolarHBondContact O-N 3.27Å |
| 220 | D | 66.2 | Low | 67 | Low | 81 Ų | 81 | 105.4 Ų | 105.4 | 43% | 0.433 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72 | -37.5 | -179.3 | -56.8 | -28.4 | 0 | 0 | 0 | 111.2 | V216 L217 K222 K223 E224 | V216-D220 HydrophobicContact CG1-CB 4.26Å; L217-D220 PolarHBondContact O-N 2.98Å; D220-K222 VanDerWaalsContact C-N 3.33Å; D220-K222 PolarHBondContact O-N 3.21Å; D220-K223 WeakPolarHBondContact O-CB 3.23Å; D220-K223 PolarHBondContact O-N 3.4Å; D220-K223 VanDerWaalsContact O-N 3.11Å; D220-E224 PolarHBondContact O-N 3Å; D220-E224 VanDerWaalsContact O-N 3.08Å |
| 221 | K | 64.9 | Low | 67.2 | Low | 113 Ų | 113 | 107.6 Ų | 107.6 | 49% | 0.491 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.6 | -40.9 | 170.9 | -71.8 | -171.6 | 175.1 | -167.6 | 0 | 113.5 | V216 L217 K223 E224 E225 | V216-K221 HydrophobicContact CB-CG 4.41Å; V216-K221 HydrophobicContact CG1-CG 3.79Å; L217-K221 PolarHBondContact O-N 3.25Å; K221-K223 VanDerWaalsContact C-N 3.25Å; K221-K223 PolarHBondContact O-N 3.24Å; K221-E224 PolarHBondContact O-N 3.33Å; K221-E225 WeakPolarHBondContact O-CG 3.48Å; K221-E225 PolarHBondContact O-N 3.3Å |
| 222 | K | 60.5 | Low | 67.4 | Low | 138 Ų | 138 | 112.1 Ų | 112.1 | 60% | 0.6 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -71.8 | -21.8 | 178.8 | -172 | 170.7 | -179.6 | 176.2 | 0 | 112.4 | K218 K219 D220 | K218-K222 PolarHBondContact O-N 2.98Å; K219-K222 PolarHBondContact O-N 2.76Å; D220-K222 VanDerWaalsContact C-N 3.33Å; D220-K222 PolarHBondContact O-N 3.21Å |
| 223 | K | 59.1 | Low | 67.7 | Low | 134 Ų | 134 | 115.6 Ų | 115.6 | 58% | 0.583 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -78.1 | -41.9 | 174.4 | -168.1 | 178.8 | 175.8 | -174.9 | 0 | 111.1 | K219 D220 K221 E225 K226 | K219-K223 PolarHBondContact O-N 3.27Å; D220-K223 WeakPolarHBondContact O-CB 3.23Å; D220-K223 PolarHBondContact O-N 3.4Å; D220-K223 VanDerWaalsContact O-N 3.11Å; K221-K223 VanDerWaalsContact C-N 3.25Å; K221-K223 PolarHBondContact O-N 3.24Å; K223-E225 VanDerWaalsContact C-N 3.31Å; K223-E225 PolarHBondContact O-N 3.46Å; K223-K226 PolarHBondContact O-N 3.15Å |
| 224 | E | 57.4 | Low | 68.4 | Low | 150 Ų | 150 | 115.6 Ų | 115.6 | 70% | 0.701 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.8 | -33.8 | 174.6 | -74.3 | -177 | 152.2 | 0 | 0 | 113 | D220 K221 K226 | D220-E224 PolarHBondContact O-N 3Å; D220-E224 VanDerWaalsContact O-N 3.08Å; K221-E224 PolarHBondContact O-N 3.33Å; E224-K226 VanDerWaalsContact C-N 3.27Å; E224-K226 PolarHBondContact O-N 3Å |
| 225 | E | 57.3 | Low | 69.4 | Low | 163 Ų | 163 | 115.8 Ų | 115.8 | 76% | 0.762 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -9.8 | 177.8 | -72.5 | 175.3 | 174.4 | 0 | 0 | 114.4 | K221 K223 | K221-E225 WeakPolarHBondContact O-CG 3.48Å; K221-E225 PolarHBondContact O-N 3.3Å; K223-E225 VanDerWaalsContact C-N 3.31Å; K223-E225 PolarHBondContact O-N 3.46Å |
| 226 | K | 57.8 | Low | 70.2 | Confident | 149 Ų | 149 | 116 Ų | 116 | 65% | 0.648 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | -0.9 | -173.9 | -88.4 | -166.8 | 168.5 | -140.3 | 0 | 115.3 | K223 E224 | K223-K226 PolarHBondContact O-N 3.15Å; E224-K226 VanDerWaalsContact C-N 3.27Å; E224-K226 PolarHBondContact O-N 3Å |
| 227 | E | 56.3 | Low | 71.1 | Confident | 141 Ų | 141 | 118 Ų | 118 | 66% | 0.659 | 56% | 0.558 | S | S | * | * | trans | -103.5 | 10.6 | -171.9 | -73.7 | 179.3 | -176.6 | 0 | 0 | 114.7 | E229 | E227-E229 PolarHBondContact O-N 3.5Š| ||
| 228 | E | 59.8 | Low | 71.7 | Confident | 179 Ų | 179 | 120.3 Ų | 120.3 | 84% | 0.836 | 58% | 0.576 | S | S | * | * | trans | -101.3 | 57.7 | 171.1 | -63.2 | -174.8 | 178.8 | 0 | 0 | 110.6 | I230 | E228-I230 VanDerWaalsContact C-N 3.34Å; E228-I230 PolarHBondContact O-N 2.89Å | ||
| 229 | E | 64.2 | Low | 72.7 | Confident | 166 Ų | 166 | 118.9 Ų | 118.9 | 78% | 0.776 | 57% | 0.571 | S | S | * | * | trans | -65.1 | 100.9 | 161.2 | -74.1 | 177.5 | 179.7 | 0 | 0 | 107.3 | E227 S231 | E227-E229 PolarHBondContact O-N 3.5Å; E229-S231 PolarHBondContact O-N 3.36Å | ||
| 230 | I | 67.8 | Low | 73.6 | Confident | 109 Ų | 109 | 122.3 Ų | 122.3 | 56% | 0.559 | 58% | 0.582 | S | S | * | * | trans | -49.9 | 122.8 | 174.3 | -24.7 | 172.2 | 0 | 0 | 0 | 107.6 | E228 E234 | E228-I230 VanDerWaalsContact C-N 3.34Å; E228-I230 PolarHBondContact O-N 2.89Å; I230-E234 HydrophobicContact CG2-CB 3.82Å; I230-E234 VanDerWaalsContact CG2-CD 3.43Å; I230-E234 HydrophobicContact CG2-CG 3.5Å; I230-E234 WeakPolarHBondContact CG2-OE2 3.5Å | ||
| 231 | S | 85.9 | Confident | 74.5 | Confident | 56 Ų | 56 | 122.4 Ų | 122.4 | 39% | 0.392 | 59% | 0.594 | S | S | . | * | trans | -67.2 | 151.9 | -178 | 99.5 | 0 | 0 | 0 | 0 | 110 | E229 E233 E234 L235 | E229-S231 PolarHBondContact O-N 3.36Å; S231-E233 VanDerWaalsContact CB-OE2 3.29Å; S231-E233 WeakPolarHBondContact CB-OE2 3.16Å; S231-E233 PolarHBondContact O-N 2.84Å; S231-E233 PolarHBondContact OG-OE2 3.05Å; S231-E234 PolarHBondContact O-N 3.44Å; S231-L235 PolarHBondContact O-N 2.7Å | ||
| 232 | L | 82.4 | Confident | 75.7 | Confident | 118 Ų | 118 | 121 Ų | 121 | 62% | 0.618 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -51.6 | -34.6 | -179 | -175.3 | 114.7 | 0 | 0 | 0 | 111.8 | L235 I236 | L232-L235 PolarHBondContact O-N 3.36Å; L232-I236 HydrophobicContact CD2-CD1 3.58Å; L232-I236 HydrophobicContact CG-CD1 3.97Å; L232-I236 WeakPolarHBondContact O-CB 3.38Å; L232-I236 WeakPolarHBondContact O-CD1 3.28Å; L232-I236 WeakPolarHBondContact O-CG1 3.4Å; L232-I236 PolarHBondContact O-N 3.22Å |
| 233 | E | 83.6 | Confident | 76.8 | Confident | 125 Ų | 125 | 120.1 Ų | 120.1 | 58% | 0.584 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.6 | -40.2 | 176.8 | -60.2 | 79.4 | -175 | 0 | 0 | 112.9 | S231 I236 E237 | S231-E233 VanDerWaalsContact CB-OE2 3.29Å; S231-E233 WeakPolarHBondContact CB-OE2 3.16Å; S231-E233 PolarHBondContact O-N 2.84Å; S231-E233 PolarHBondContact OG-OE2 3.05Å; E233-I236 PolarHBondContact O-N 3.06Å; E233-E237 WeakPolarHBondContact O-CB 3.43Å; E233-E237 PolarHBondContact O-N 2.98Å |
| 234 | E | 87.4 | Confident | 78.1 | Confident | 124 Ų | 124 | 116.1 Ų | 116.1 | 58% | 0.579 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73.2 | -36.1 | 178 | 179.4 | 172.9 | -162.8 | 0 | 0 | 111.2 | I230 S231 E237 S238 | I230-E234 HydrophobicContact CG2-CB 3.82Å; I230-E234 VanDerWaalsContact CG2-CD 3.43Å; I230-E234 HydrophobicContact CG2-CG 3.5Å; I230-E234 WeakPolarHBondContact CG2-OE2 3.5Å; S231-E234 PolarHBondContact O-N 3.44Å; E234-E237 PolarHBondContact O-N 3.42Å; E234-S238 WeakPolarHBondContact O-CB 3.3Å; E234-S238 PolarHBondContact O-N 2.92Å; E234-S238 PolarHBondContact O-OG 3.23Å |
| 235 | L | 89.8 | Confident | 79 | Confident | 79 Ų | 79 | 116.1 Ų | 116.1 | 41% | 0.414 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -58 | -51.7 | 168.1 | -173.9 | 87.3 | 0 | 0 | 0 | 110.5 | S231 L232 E237 S238 E239 | S231-L235 PolarHBondContact O-N 2.7Å; L232-L235 PolarHBondContact O-N 3.36Å; L235-E237 VanDerWaalsContact C-N 3.34Å; L235-E237 PolarHBondContact O-N 3.3Å; L235-S238 PolarHBondContact O-N 3.23Å; L235-S238 PolarHBondContact O-OG 3.26Å; L235-E239 WeakPolarHBondContact O-CG 3.35Å; L235-E239 PolarHBondContact O-N 3.39Å |
| 236 | I | 90.8 | Very high | 80 | Confident | 87 Ų | 87 | 116.3 Ų | 116.3 | 45% | 0.446 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -59.2 | -43.9 | -179.4 | -72.1 | 164.5 | 0 | 0 | 0 | 111.4 | L232 E233 E239 R240 | L232-I236 HydrophobicContact CD2-CD1 3.58Å; L232-I236 HydrophobicContact CG-CD1 3.97Å; L232-I236 WeakPolarHBondContact O-CB 3.38Å; L232-I236 WeakPolarHBondContact O-CD1 3.28Å; L232-I236 WeakPolarHBondContact O-CG1 3.4Å; L232-I236 PolarHBondContact O-N 3.22Å; E233-I236 PolarHBondContact O-N 3.06Å; I236-E239 PolarHBondContact O-N 2.92Å; I236-R240 VanDerWaalsContact O-CB 3.24Å; I236-R240 WeakPolarHBondContact O-CB 3.34Å; I236-R240 PolarHBondContact O-N 2.92Å |
| 237 | E | 89.2 | Confident | 81.2 | Confident | 108 Ų | 108 | 113.9 Ų | 113.9 | 51% | 0.505 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -70.7 | -34.3 | -179.1 | -164.2 | 63.1 | -163 | 0 | 0 | 111.6 | E233 E234 L235 R240 A241 | E233-E237 WeakPolarHBondContact O-CB 3.43Å; E233-E237 PolarHBondContact O-N 2.98Å; E234-E237 PolarHBondContact O-N 3.42Å; L235-E237 VanDerWaalsContact C-N 3.34Å; L235-E237 PolarHBondContact O-N 3.3Å; E237-R240 PolarHBondContact O-N 2.96Å; E237-R240 IonicContact OE2-NH1 3.65Å; E237-A241 WeakPolarHBondContact O-CB 3.37Å; E237-A241 PolarHBondContact O-N 2.97Å |
| 238 | S | 87.3 | Confident | 82.5 | Confident | 66 Ų | 66 | 112.8 Ų | 112.8 | 46% | 0.462 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -64.8 | -44.4 | 173.2 | 80.2 | 0 | 0 | 0 | 0 | 112.1 | E234 L235 A241 A242 | E234-S238 WeakPolarHBondContact O-CB 3.3Å; E234-S238 PolarHBondContact O-N 2.92Å; E234-S238 PolarHBondContact O-OG 3.23Å; L235-S238 PolarHBondContact O-N 3.23Å; L235-S238 PolarHBondContact O-OG 3.26Å; S238-A241 PolarHBondContact O-N 3.31Å; S238-A242 WeakPolarHBondContact O-CB 3.44Å; S238-A242 PolarHBondContact O-N 3.3Å |
| 239 | E | 90.2 | Very high | 83.7 | Confident | 115 Ų | 115 | 114.5 Ų | 114.5 | 54% | 0.537 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.8 | -40.8 | 177 | -72.3 | -167.3 | 155.8 | 0 | 0 | 111.1 | L235 I236 A241 A242 L243 | L235-E239 WeakPolarHBondContact O-CG 3.35Å; L235-E239 PolarHBondContact O-N 3.39Å; I236-E239 PolarHBondContact O-N 2.92Å; E239-A241 VanDerWaalsContact C-N 3.33Å; E239-A241 PolarHBondContact O-N 3.38Å; E239-A242 CarbonylContact O-C 3.55Å; E239-A242 WeakPolarHBondContact O-CB 3.4Å; E239-A242 PolarHBondContact O-N 3.25Å; E239-A242 VanDerWaalsContact O-N 3.12Å; E239-L243 WeakPolarHBondContact O-CG 3.24Å; E239-L243 PolarHBondContact O-N 2.58Å |
| 240 | R | 86.9 | Confident | 84.7 | Confident | 168 Ų | 168 | 113.8 Ų | 113.8 | 63% | 0.634 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62.6 | -39.9 | 175.4 | -173.5 | -176.4 | 178.9 | -174.2 | 1.9 | 112.1 | I236 E237 A242 L243 | I236-R240 VanDerWaalsContact O-CB 3.24Å; I236-R240 WeakPolarHBondContact O-CB 3.34Å; I236-R240 PolarHBondContact O-N 2.92Å; E237-R240 PolarHBondContact O-N 2.96Å; E237-R240 IonicContact OE2-NH1 3.65Å; R240-A242 VanDerWaalsContact C-N 3.3Å; R240-L243 PolarHBondContact O-N 3.32Å |
| 241 | A | 86.2 | Confident | 85.6 | Confident | 83 Ų | 83 | 111.9 Ų | 111.9 | 69% | 0.686 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68.4 | -31.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E237 S238 E239 | E237-A241 WeakPolarHBondContact O-CB 3.37Å; E237-A241 PolarHBondContact O-N 2.97Å; S238-A241 PolarHBondContact O-N 3.31Å; E239-A241 VanDerWaalsContact C-N 3.33Å; E239-A241 PolarHBondContact O-N 3.38Å |
| 242 | A | 89.5 | Confident | 85.5 | Confident | 82 Ų | 82 | 112.5 Ų | 112.5 | 68% | 0.678 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.1 | -25.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S238 E239 R240 G244 | S238-A242 WeakPolarHBondContact O-CB 3.44Å; S238-A242 PolarHBondContact O-N 3.3Å; E239-A242 CarbonylContact O-C 3.55Å; E239-A242 WeakPolarHBondContact O-CB 3.4Å; E239-A242 PolarHBondContact O-N 3.25Å; E239-A242 VanDerWaalsContact O-N 3.12Å; R240-A242 VanDerWaalsContact C-N 3.3Å; A242-G244 PolarHBondContact O-N 3.34Å |
| 243 | L | 84.4 | Confident | 85.6 | Confident | 121 Ų | 121 | 114.1 Ų | 114.1 | 63% | 0.634 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -68.1 | 99.3 | 171.6 | -68.5 | 174.7 | 0 | 0 | 0 | 109.8 | E239 R240 | E239-L243 WeakPolarHBondContact O-CG 3.24Å; E239-L243 PolarHBondContact O-N 2.58Å; R240-L243 PolarHBondContact O-N 3.32Å |
| 244 | G | 85 | Confident | 85.7 | Confident | 50 Ų | 50 | 111 Ų | 111 | 52% | 0.515 | 60% | 0.602 | S | S | . | * | trans | -61.6 | 179 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A242 N246 V247 | A242-G244 PolarHBondContact O-N 3.34Å; G244-N246 PolarHBondContact O-N 3.28Å; G244-V247 WeakPolarHBondContact O-CG2 3.24Å | ||
| 245 | V | 78.3 | Confident | 85.7 | Confident | 150 Ų | 150 | 109.3 Ų | 109.3 | 91% | 0.909 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -61.3 | -20.3 | -170.9 | -173.8 | 0 | 0 | 0 | 0 | 114.4 | V247 | V245-V247 PolarHBondContact O-N 3.18Š|
| 246 | N | 77.8 | Confident | 85.6 | Confident | 166 Ų | 166 | 109 Ų | 109 | 89% | 0.888 | 59% | 0.591 | S | S | * | * | trans | -95.1 | 74.7 | -178.2 | -65 | -48.3 | 0 | 0 | 0 | 111.7 | G244 | G244-N246 PolarHBondContact O-N 3.28Š| ||
| 247 | V | 83.4 | Confident | 85.4 | Confident | 98 Ų | 98 | 107.9 Ų | 107.9 | 59% | 0.594 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 134 | 174.5 | -175.3 | 0 | 0 | 0 | 0 | 110.2 | G244 V245 R249 | G244-V247 WeakPolarHBondContact O-CG2 3.24Å; V245-V247 PolarHBondContact O-N 3.18Å; V247-R249 PolarHBondContact O-N 2.96Å |
| 248 | T | 83.6 | Confident | 85.4 | Confident | 118 Ų | 118 | 108.7 Ų | 108.7 | 72% | 0.724 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 125.8 | 173.4 | 48.2 | 0 | 0 | 0 | 0 | 110.1 | ||
| 249 | R | 83.7 | Confident | 85.4 | Confident | 216 Ų | 216 | 106.7 Ų | 106.7 | 82% | 0.815 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 136.8 | 174 | -65.1 | -170.4 | -179.8 | 102.8 | 2.2 | 109.6 | V247 T251 T254 | V247-R249 PolarHBondContact O-N 2.96Å; R249-T251 PolarHBondContact O-N 3.39Å; R249-T251 VanDerWaalsContact O-N 3.08Å; R249-T254 PolarHBondContact O-OG1 3.37Å; R249-T254 VanDerWaalsContact O-OG1 3.06Å |
| 250 | I | 84.7 | Confident | 85.4 | Confident | 151 Ų | 151 | 108.9 Ų | 108.9 | 77% | 0.774 | 58% | 0.584 | S | S | * | * | trans | -78.5 | 92.2 | 175.3 | -57.5 | 173.9 | 0 | 0 | 0 | 107.7 | F255 | I250-F255 HydrophobicContact CG2-CB 4.34Š| ||
| 251 | T | 87.7 | Confident | 85.6 | Confident | 68 Ų | 68 | 106.9 Ų | 106.9 | 42% | 0.417 | 58% | 0.577 | S | S | . | * | trans | -97.7 | 163.5 | 163.2 | 69.6 | 0 | 0 | 0 | 0 | 109.8 | R249 E253 T254 F255 | R249-T251 PolarHBondContact O-N 3.39Å; R249-T251 VanDerWaalsContact O-N 3.08Å; T251-E253 VanDerWaalsContact C-N 3.27Å; T251-E253 PolarHBondContact O-N 3.1Å; T251-T254 PolarHBondContact N-OG1 3.11Å; T251-T254 PolarHBondContact O-N 3.22Å; T251-T254 VanDerWaalsContact O-N 3.13Å; T251-T254 PolarHBondContact O-OG1 3.03Å; T251-T254 WeakPolarHBondContact OG1-CG2 3.07Å; T251-T254 PolarHBondContact OG1-N 3.17Å; T251-T254 PolarHBondContact OG1-OG1 3.14Å; T251-F255 WeakPolarHBondContact O-CB 3.39Å; T251-F255 PolarHBondContact O-N 2.91Å | ||
| 252 | L | 83.1 | Confident | 85.9 | Confident | 69 Ų | 69 | 106.8 Ų | 106.8 | 36% | 0.361 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -53.7 | -45.2 | 176.7 | -179.4 | 129.1 | 0 | 0 | 0 | 112.3 | T254 F255 L256 P341 | L252-T254 PolarHBondContact O-N 3.18Å; L252-F255 PolarHBondContact O-N 3.03Å; L252-L256 HydrophobicContact CD2-CD1 3.61Å; L252-L256 HydrophobicContact CD2-CG 4.41Å; L252-L256 HydrophobicContact CG-CD1 4.11Å; L252-L256 HydrophobicContact CG-CG 4.42Å; L252-L256 WeakPolarHBondContact O-CB 3.18Å; L252-L256 WeakPolarHBondContact O-CG 3.34Å; L252-L256 PolarHBondContact O-N 3.1Å; L252-P341 HydrophobicContact CD1-CB 3.36Å; L252-P341 HydrophobicContact CD1-CG 4.26Å |
| 253 | E | 84.5 | Confident | 85.7 | Confident | 153 Ų | 153 | 108.3 Ų | 108.3 | 72% | 0.715 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.6 | -45.9 | 178 | -61 | -176 | 156.7 | 0 | 0 | 111.9 | T251 F255 L256 A257 | T251-E253 VanDerWaalsContact C-N 3.27Å; T251-E253 PolarHBondContact O-N 3.1Å; E253-F255 VanDerWaalsContact C-N 3.35Å; E253-F255 PolarHBondContact O-N 3.33Å; E253-L256 PolarHBondContact O-N 3.44Å; E253-A257 WeakPolarHBondContact O-CB 3.22Å; E253-A257 PolarHBondContact O-N 3.01Å |
| 254 | T | 86.8 | Confident | 85.8 | Confident | 58 Ų | 58 | 107.2 Ų | 107.2 | 36% | 0.356 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.6 | -33.9 | 178.6 | 61 | 0 | 0 | 0 | 0 | 112.5 | R249 T251 L252 W258 | R249-T254 PolarHBondContact O-OG1 3.37Å; R249-T254 VanDerWaalsContact O-OG1 3.06Å; T251-T254 PolarHBondContact N-OG1 3.11Å; T251-T254 PolarHBondContact O-N 3.22Å; T251-T254 VanDerWaalsContact O-N 3.13Å; T251-T254 PolarHBondContact O-OG1 3.03Å; T251-T254 WeakPolarHBondContact OG1-CG2 3.07Å; T251-T254 PolarHBondContact OG1-N 3.17Å; T251-T254 PolarHBondContact OG1-OG1 3.14Å; L252-T254 PolarHBondContact O-N 3.18Å; T254-W258 VanDerWaalsContact O-CB 3.27Å; T254-W258 WeakPolarHBondContact O-CB 3.35Å; T254-W258 PolarHBondContact O-N 3.29Å |
| 255 | F | 86.5 | Confident | 86.1 | Confident | 90 Ų | 90 | 108.9 Ų | 108.9 | 40% | 0.395 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.1 | -43.6 | 177.1 | 178.2 | -102.4 | 0 | 0 | 0 | 111.4 | I250 T251 L252 E253 W258 K259 | I250-F255 HydrophobicContact CG2-CB 4.34Å; T251-F255 WeakPolarHBondContact O-CB 3.39Å; T251-F255 PolarHBondContact O-N 2.91Å; L252-F255 PolarHBondContact O-N 3.03Å; E253-F255 VanDerWaalsContact C-N 3.35Å; E253-F255 PolarHBondContact O-N 3.33Å; F255-W258 HydrophobicContact CD2-CE3 4.05Å; F255-W258 HydrophobicContact CD2-CZ3 4.4Å; F255-W258 AromaticContact CE2-CE3 3.9Å; F255-W258 HydrophobicContact CE2-CE3 3.9Å; F255-W258 AromaticContact CE2-CZ3 3.79Å; F255-W258 HydrophobicContact CE2-CZ3 3.79Å; F255-W258 HydrophobicContact CZ-CZ3 4.41Å; F255-W258 PolarHBondContact O-N 3.42Å; F255-K259 HydrophobicContact CE1-CD 4.32Å; F255-K259 VanDerWaalsContact O-CB 3.3Å; F255-K259 WeakPolarHBondContact O-CB 3.1Å; F255-K259 PolarHBondContact O-N 2.98Å |
| 256 | L | 87.1 | Confident | 86.5 | Confident | 72 Ų | 72 | 107.7 Ų | 107.7 | 38% | 0.377 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 174.8 | -70.9 | 177 | 0 | 0 | 0 | 111.5 | L252 E253 K259 K260 L336 | L252-L256 HydrophobicContact CD2-CD1 3.61Å; L252-L256 HydrophobicContact CD2-CG 4.41Å; L252-L256 HydrophobicContact CG-CD1 4.11Å; L252-L256 HydrophobicContact CG-CG 4.42Å; L252-L256 WeakPolarHBondContact O-CB 3.18Å; L252-L256 WeakPolarHBondContact O-CG 3.34Å; L252-L256 PolarHBondContact O-N 3.1Å; E253-L256 PolarHBondContact O-N 3.44Å; L256-K259 PolarHBondContact O-N 3.18Å; L256-K260 WeakPolarHBondContact O-CB 3.42Å; L256-K260 PolarHBondContact O-N 3.4Å; L256-L336 HydrophobicContact CD2-CD1 4Å; L256-L336 HydrophobicContact CD2-CD2 4.49Å |
| 257 | A | 87.2 | Confident | 87 | Confident | 63 Ų | 63 | 101 Ų | 101 | 52% | 0.521 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E253 R261 | E253-A257 WeakPolarHBondContact O-CB 3.22Å; E253-A257 PolarHBondContact O-N 3.01Å; A257-R261 WeakPolarHBondContact O-CB 3.37Å; A257-R261 PolarHBondContact O-N 3.02Å |
| 258 | W | 89.4 | Confident | 87.2 | Confident | 126 Ų | 126 | 99.1 Ų | 99.1 | 48% | 0.477 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 174.7 | 172.6 | 95.8 | 0 | 0 | 0 | 112.2 | T254 F255 R261 K262 | T254-W258 VanDerWaalsContact O-CB 3.27Å; T254-W258 WeakPolarHBondContact O-CB 3.35Å; T254-W258 PolarHBondContact O-N 3.29Å; F255-W258 HydrophobicContact CD2-CE3 4.05Å; F255-W258 HydrophobicContact CD2-CZ3 4.4Å; F255-W258 AromaticContact CE2-CE3 3.9Å; F255-W258 HydrophobicContact CE2-CE3 3.9Å; F255-W258 AromaticContact CE2-CZ3 3.79Å; F255-W258 HydrophobicContact CE2-CZ3 3.79Å; F255-W258 HydrophobicContact CZ-CZ3 4.41Å; F255-W258 PolarHBondContact O-N 3.42Å; W258-R261 WeakPolarHBondContact O-CB 3.46Å; W258-R261 PolarHBondContact O-N 2.94Å; W258-K262 HydrophobicContact CD2-CG 4.19Å; W258-K262 HydrophobicContact CH2-CG 4.4Å; W258-K262 HydrophobicContact CZ2-CG 3.84Å; W258-K262 WeakPolarHBondContact O-CB 3.3Å; W258-K262 PolarHBondContact O-N 3Å |
| 259 | K | 88.1 | Confident | 87.6 | Confident | 24 Ų | 24 | 99.7 Ų | 99.7 | 10% | 0.104 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -65.3 | -43.6 | -179.8 | -175.3 | 169.9 | 177 | 173.5 | 0 | 110.9 | F255 L256 R261 K262 R263 D333 I334 L336 | F255-K259 HydrophobicContact CE1-CD 4.32Å; F255-K259 VanDerWaalsContact O-CB 3.3Å; F255-K259 WeakPolarHBondContact O-CB 3.1Å; F255-K259 PolarHBondContact O-N 2.98Å; L256-K259 PolarHBondContact O-N 3.18Å; K259-R261 VanDerWaalsContact C-N 3.35Å; K259-R261 PolarHBondContact O-N 3.32Å; K259-K262 PolarHBondContact O-N 2.97Å; K259-R263 WeakPolarHBondContact O-CB 3.21Å; K259-R263 PolarHBondContact O-N 3.39Å; K259-D333 WeakPolarHBondContact CE-OD1 3.33Å; K259-D333 WeakPolarHBondContact CE-OD2 3.33Å; K259-D333 IonicContact NZ-OD1 3.01Å; K259-D333 PolarHBondContact NZ-OD1 3.12Å; K259-D333 IonicContact NZ-OD2 2.62Å; K259-D333 PolarHBondContact NZ-OD2 2.73Å; K259-I334 PolarHBondContact NZ-O 3.02Å; K259-L336 HydrophobicContact CD-CD1 4.15Å; K259-L336 HydrophobicContact CD-CD2 4.5Å |
| 260 | K | 89.6 | Confident | 87.7 | Confident | 161 Ų | 161 | 90.9 Ų | 90.9 | 70% | 0.7 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.8 | -45 | 172.9 | -174.2 | 178.3 | -178.6 | 178.8 | 0 | 111.4 | L256 R263 Q264 | L256-K260 WeakPolarHBondContact O-CB 3.42Å; L256-K260 PolarHBondContact O-N 3.4Å; K260-R263 PolarHBondContact O-N 3.16Å; K260-Q264 PolarHBondContact O-N 3.21Å |
| 261 | R | 90.4 | Very high | 87.8 | Confident | 126 Ų | 126 | 88.6 Ų | 88.6 | 48% | 0.475 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 176.5 | -174.6 | -174.6 | 62.5 | 71.3 | 4.3 | 111.7 | A257 W258 K259 Q264 E265 | A257-R261 WeakPolarHBondContact O-CB 3.37Å; A257-R261 PolarHBondContact O-N 3.02Å; W258-R261 WeakPolarHBondContact O-CB 3.46Å; W258-R261 PolarHBondContact O-N 2.94Å; K259-R261 VanDerWaalsContact C-N 3.35Å; K259-R261 PolarHBondContact O-N 3.32Å; R261-Q264 PolarHBondContact O-N 3.42Å; R261-E265 IonicContact NH1-OE2 3.45Å; R261-E265 PolarHBondContact NH1-OE2 3.25Å; R261-E265 WeakPolarHBondContact O-CB 3.25Å; R261-E265 PolarHBondContact O-N 3.22Å |
| 262 | K | 92.2 | Very high | 87.9 | Confident | 81 Ų | 81 | 91.7 Ų | 91.7 | 35% | 0.352 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68 | -36.1 | 178.8 | -85.2 | -70.1 | 176 | -164.5 | 0 | 113 | W258 K259 E265 K266 | W258-K262 HydrophobicContact CD2-CG 4.19Å; W258-K262 HydrophobicContact CH2-CG 4.4Å; W258-K262 HydrophobicContact CZ2-CG 3.84Å; W258-K262 WeakPolarHBondContact O-CB 3.3Å; W258-K262 PolarHBondContact O-N 3Å; K259-K262 PolarHBondContact O-N 2.97Å; K262-E265 WeakPolarHBondContact CD-OE2 3.39Å; K262-E265 WeakPolarHBondContact CE-OE2 3.37Å; K262-E265 VanDerWaalsContact NZ-CD 3.25Å; K262-E265 IonicContact NZ-OE1 3.88Å; K262-E265 PolarHBondContact NZ-OE1 3.4Å; K262-E265 IonicContact NZ-OE2 2.76Å; K262-E265 PolarHBondContact NZ-OE2 3.36Å; K262-E265 PolarHBondContact O-N 2.83Å; K262-K266 PolarHBondContact O-N 3.49Å |
| 263 | R | 85.6 | Confident | 88.1 | Confident | 114 Ų | 114 | 92.9 Ų | 92.9 | 43% | 0.43 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.4 | -48.1 | 171.7 | -172.4 | -176.4 | -65.2 | -177.8 | -4.9 | 111 | K259 K260 E265 K266 V267 D333 | K259-R263 WeakPolarHBondContact O-CB 3.21Å; K259-R263 PolarHBondContact O-N 3.39Å; K260-R263 PolarHBondContact O-N 3.16Å; R263-E265 VanDerWaalsContact C-N 3.34Å; R263-E265 PolarHBondContact O-N 2.96Å; R263-K266 PolarHBondContact O-N 3.44Å; R263-V267 WeakPolarHBondContact O-CG2 3.42Å; R263-V267 PolarHBondContact O-N 3.08Å; R263-D333 IonicContact CZ-OD2 2.99Å; R263-D333 IonicContact NE-OD2 3.41Å; R263-D333 PolarHBondContact NE-OD2 3.23Å; R263-D333 IonicContact NH2-OD2 2.77Å; R263-D333 PolarHBondContact NH2-OD2 2.96Å |
| 264 | Q | 86.5 | Confident | 88.1 | Confident | 98 Ų | 98 | 89 Ų | 89 | 46% | 0.458 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61 | -44 | 177.2 | -168.1 | 63 | 47.4 | 0 | 0 | 111.5 | K260 R261 K266 V267 D268 | K260-Q264 PolarHBondContact O-N 3.21Å; R261-Q264 PolarHBondContact O-N 3.42Å; Q264-K266 VanDerWaalsContact C-N 3.3Å; Q264-K266 PolarHBondContact O-N 2.7Å; Q264-V267 PolarHBondContact O-N 2.88Å; Q264-D268 PolarHBondContact NE2-OD1 3.26Å; Q264-D268 WeakPolarHBondContact O-CB 3.28Å; Q264-D268 PolarHBondContact O-N 2.89Å |
| 265 | E | 91.3 | Very high | 88.1 | Confident | 85 Ų | 85 | 92 Ų | 92 | 40% | 0.397 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.3 | -39.6 | 175.7 | -170.6 | -174.8 | 143.3 | 0 | 0 | 112.1 | R261 K262 R263 K269 | R261-E265 IonicContact NH1-OE2 3.45Å; R261-E265 PolarHBondContact NH1-OE2 3.25Å; R261-E265 WeakPolarHBondContact O-CB 3.25Å; R261-E265 PolarHBondContact O-N 3.22Å; K262-E265 WeakPolarHBondContact CD-OE2 3.39Å; K262-E265 WeakPolarHBondContact CE-OE2 3.37Å; K262-E265 VanDerWaalsContact NZ-CD 3.25Å; K262-E265 IonicContact NZ-OE1 3.88Å; K262-E265 PolarHBondContact NZ-OE1 3.4Å; K262-E265 IonicContact NZ-OE2 2.76Å; K262-E265 PolarHBondContact NZ-OE2 3.36Å; K262-E265 PolarHBondContact O-N 2.83Å; R263-E265 VanDerWaalsContact C-N 3.34Å; R263-E265 PolarHBondContact O-N 2.96Å; E265-K269 VanDerWaalsContact O-CB 3.27Å; E265-K269 WeakPolarHBondContact O-CB 3.45Å; E265-K269 PolarHBondContact O-N 3.47Å |
| 266 | K | 87.9 | Confident | 88.1 | Confident | 125 Ų | 125 | 94.6 Ų | 94.6 | 54% | 0.543 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -69.5 | -42 | 176.6 | -171.7 | 168.5 | 177 | 176.2 | 0 | 112.1 | K262 R263 Q264 A270 V331 | K262-K266 PolarHBondContact O-N 3.49Å; R263-K266 PolarHBondContact O-N 3.44Å; Q264-K266 VanDerWaalsContact C-N 3.3Å; Q264-K266 PolarHBondContact O-N 2.7Å; K266-A270 WeakPolarHBondContact O-CB 3.3Å; K266-A270 PolarHBondContact O-N 2.9Å; K266-V331 HydrophobicContact CD-CG1 3.77Å; K266-V331 HydrophobicContact CD-CG2 4.17Å; K266-V331 HydrophobicContact CG-CG2 4.17Å |
| 267 | V | 87.2 | Confident | 88 | Confident | 24 Ų | 24 | 94.9 Ų | 94.9 | 15% | 0.145 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65 | -46.4 | 176.1 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | R263 Q264 K269 A270 R271 V331 | R263-V267 WeakPolarHBondContact O-CG2 3.42Å; R263-V267 PolarHBondContact O-N 3.08Å; Q264-V267 PolarHBondContact O-N 2.88Å; V267-K269 PolarHBondContact O-N 3.32Å; V267-A270 PolarHBondContact O-N 3.18Å; V267-R271 WeakPolarHBondContact O-CB 3.15Å; V267-R271 PolarHBondContact O-N 3.24Å; V267-V331 HydrophobicContact CG2-CG2 4.13Å |
| 268 | D | 88.9 | Confident | 87.9 | Confident | 60 Ų | 60 | 97.2 Ų | 97.2 | 32% | 0.321 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 178.7 | -66.3 | -19.8 | 0 | 0 | 0 | 110.9 | Q264 A270 R271 E272 | Q264-D268 PolarHBondContact NE2-OD1 3.26Å; Q264-D268 WeakPolarHBondContact O-CB 3.28Å; Q264-D268 PolarHBondContact O-N 2.89Å; D268-A270 PolarHBondContact O-N 3.25Å; D268-R271 WeakPolarHBondContact O-CB 3.17Å; D268-R271 PolarHBondContact O-N 3.41Å; D268-E272 WeakPolarHBondContact O-CG 3.32Å; D268-E272 PolarHBondContact O-N 2.97Å |
| 269 | K | 90.5 | Very high | 87.7 | Confident | 129 Ų | 129 | 94 Ų | 94 | 56% | 0.561 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.3 | -44.2 | 175.2 | -172.4 | -175 | -179.8 | -161.6 | 0 | 112 | E265 V267 R271 E272 E273 | E265-K269 VanDerWaalsContact O-CB 3.27Å; E265-K269 WeakPolarHBondContact O-CB 3.45Å; E265-K269 PolarHBondContact O-N 3.47Å; V267-K269 PolarHBondContact O-N 3.32Å; K269-R271 VanDerWaalsContact C-N 3.31Å; K269-R271 PolarHBondContact O-N 3.21Å; K269-E272 PolarHBondContact O-N 3.17Å; K269-E273 WeakPolarHBondContact CE-OE1 3.43Å; K269-E273 IonicContact NZ-OE1 3.48Å; K269-E273 WeakPolarHBondContact O-CG 3.46Å; K269-E273 PolarHBondContact O-N 2.86Å |
| 270 | A | 85.9 | Confident | 87.5 | Confident | 32 Ų | 32 | 95.5 Ų | 95.5 | 26% | 0.264 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | K266 V267 D268 E273 L274 T329 | K266-A270 WeakPolarHBondContact O-CB 3.3Å; K266-A270 PolarHBondContact O-N 2.9Å; V267-A270 PolarHBondContact O-N 3.18Å; D268-A270 PolarHBondContact O-N 3.25Å; A270-E273 PolarHBondContact O-N 2.85Å; A270-L274 VanDerWaalsContact O-CB 3.31Å; A270-L274 WeakPolarHBondContact O-CB 3.4Å; A270-L274 PolarHBondContact O-N 3.31Å; A270-T329 HydrophobicContact CB-CG2 3.9Å |
| 271 | R | 87.5 | Confident | 87.2 | Confident | 102 Ų | 102 | 89.3 Ų | 89.3 | 39% | 0.385 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 174.4 | -174.3 | -176.8 | -73.3 | 162.2 | -7.3 | 111.5 | V267 D268 K269 E273 L274 E275 E325 | V267-R271 WeakPolarHBondContact O-CB 3.15Å; V267-R271 PolarHBondContact O-N 3.24Å; D268-R271 WeakPolarHBondContact O-CB 3.17Å; D268-R271 PolarHBondContact O-N 3.41Å; K269-R271 VanDerWaalsContact C-N 3.31Å; K269-R271 PolarHBondContact O-N 3.21Å; R271-E273 PolarHBondContact O-N 2.9Å; R271-L274 PolarHBondContact O-N 2.94Å; R271-E275 WeakPolarHBondContact O-CG 3.37Å; R271-E275 PolarHBondContact O-N 3.43Å; R271-E325 IonicContact CZ-OE1 2.72Å; R271-E325 IonicContact NE-OE1 2.79Å; R271-E325 IonicContact NH2-OE1 2.64Å; R271-E325 PolarHBondContact NH2-OE1 3.43Å |
| 272 | E | 89 | Confident | 86.8 | Confident | 134 Ų | 134 | 92.4 Ų | 92.4 | 63% | 0.626 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.4 | -42.1 | 176.9 | -72.9 | 179.8 | -179.4 | 0 | 0 | 112.3 | D268 K269 E275 K276 | D268-E272 WeakPolarHBondContact O-CG 3.32Å; D268-E272 PolarHBondContact O-N 2.97Å; K269-E272 PolarHBondContact O-N 3.17Å; E272-E275 PolarHBondContact O-N 2.96Å; E272-K276 WeakPolarHBondContact O-CB 3.38Å; E272-K276 PolarHBondContact O-N 2.79Å |
| 273 | E | 87.7 | Confident | 86.4 | Confident | 93 Ų | 93 | 92 Ų | 92 | 44% | 0.435 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 175.3 | -75.9 | 178.8 | -175.1 | 0 | 0 | 111.9 | K269 A270 R271 K276 K277 | K269-E273 WeakPolarHBondContact CE-OE1 3.43Å; K269-E273 IonicContact NZ-OE1 3.48Å; K269-E273 WeakPolarHBondContact O-CG 3.46Å; K269-E273 PolarHBondContact O-N 2.86Å; A270-E273 PolarHBondContact O-N 2.85Å; R271-E273 PolarHBondContact O-N 2.9Å; E273-K276 PolarHBondContact O-N 3.17Å; E273-K277 WeakPolarHBondContact O-CB 3.37Å; E273-K277 VanDerWaalsContact O-CG 3.3Å; E273-K277 WeakPolarHBondContact O-CG 3.33Å; E273-K277 PolarHBondContact O-N 3.4Å |
| 274 | L | 84.1 | Confident | 86 | Confident | 73 Ų | 73 | 89.4 Ų | 89.4 | 38% | 0.382 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 175.5 | -172 | 155.7 | 0 | 0 | 0 | 111.4 | A270 R271 K276 K277 K278 F297 | A270-L274 VanDerWaalsContact O-CB 3.31Å; A270-L274 WeakPolarHBondContact O-CB 3.4Å; A270-L274 PolarHBondContact O-N 3.31Å; R271-L274 PolarHBondContact O-N 2.94Å; L274-K276 VanDerWaalsContact C-N 3.34Å; L274-K276 PolarHBondContact O-N 2.86Å; L274-K277 PolarHBondContact O-N 3.13Å; L274-K278 WeakPolarHBondContact O-CB 3.43Å; L274-K278 PolarHBondContact O-N 2.9Å; L274-F297 HydrophobicContact CD2-CE1 3.69Å; L274-F297 HydrophobicContact CD2-CZ 4.37Å; L274-F297 HydrophobicContact CG-CE1 3.85Å; L274-F297 HydrophobicContact CG-CZ 4.12Å |
| 275 | E | 86.9 | Confident | 85.4 | Confident | 121 Ų | 121 | 90.8 Ų | 90.8 | 57% | 0.565 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.4 | -40.6 | 174.6 | -75.8 | -176.4 | 177.1 | 0 | 0 | 112.1 | R271 E272 K278 A279 | R271-E275 WeakPolarHBondContact O-CG 3.37Å; R271-E275 PolarHBondContact O-N 3.43Å; E272-E275 PolarHBondContact O-N 2.96Å; E275-K278 PolarHBondContact O-N 3.45Å; E275-A279 WeakPolarHBondContact O-CB 3.46Å; E275-A279 PolarHBondContact O-N 3.28Å |
| 276 | K | 87.4 | Confident | 84.1 | Confident | 143 Ų | 143 | 89.9 Ų | 89.9 | 62% | 0.622 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.2 | -46 | 175 | -173.9 | -177.5 | 176 | -173.2 | 0 | 111.4 | E272 E273 L274 K278 A279 D280 | E272-K276 WeakPolarHBondContact O-CB 3.38Å; E272-K276 PolarHBondContact O-N 2.79Å; E273-K276 PolarHBondContact O-N 3.17Å; L274-K276 VanDerWaalsContact C-N 3.34Å; L274-K276 PolarHBondContact O-N 2.86Å; K276-K278 VanDerWaalsContact C-N 3.32Å; K276-K278 PolarHBondContact O-N 2.96Å; K276-A279 WeakPolarHBondContact O-CB 3.46Å; K276-A279 PolarHBondContact O-N 2.85Å; K276-A279 VanDerWaalsContact O-N 3.16Å; K276-D280 WeakPolarHBondContact O-CB 3.45Å; K276-D280 PolarHBondContact O-N 3.29Å |
| 277 | K | 84.9 | Confident | 82.8 | Confident | 78 Ų | 78 | 92.3 Ų | 92.3 | 34% | 0.339 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.4 | -42.2 | 174.4 | -75.8 | 174.6 | 174.4 | -176.8 | 0 | 111.7 | E273 L274 D280 F281 E293 F297 | E273-K277 WeakPolarHBondContact O-CB 3.37Å; E273-K277 VanDerWaalsContact O-CG 3.3Å; E273-K277 WeakPolarHBondContact O-CG 3.33Å; E273-K277 PolarHBondContact O-N 3.4Å; L274-K277 PolarHBondContact O-N 3.13Å; K277-D280 PolarHBondContact O-N 3.06Å; K277-F281 WeakPolarHBondContact O-CB 3.18Å; K277-F281 PolarHBondContact O-N 3.38Å; K277-E293 IonicContact NZ-OE1 3.33Å; K277-E293 PolarHBondContact NZ-OE1 2.82Å; K277-F297 HydrophobicContact CB-CE2 4Å; K277-F297 HydrophobicContact CB-CZ 4.06Å |
| 278 | K | 84.5 | Confident | 81.7 | Confident | 113 Ų | 113 | 98 Ų | 98 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 175.1 | -172.5 | 174.5 | -176.7 | 172.3 | 0 | 111.9 | L274 E275 K276 K282 F297 | L274-K278 WeakPolarHBondContact O-CB 3.43Å; L274-K278 PolarHBondContact O-N 2.9Å; E275-K278 PolarHBondContact O-N 3.45Å; K276-K278 VanDerWaalsContact C-N 3.32Å; K276-K278 PolarHBondContact O-N 2.96Å; K278-K282 WeakPolarHBondContact O-CB 3.16Å; K278-K282 PolarHBondContact O-N 3.41Å; K278-F297 HydrophobicContact CB-CD1 4.05Å; K278-F297 HydrophobicContact CB-CE1 4.14Å; K278-F297 HydrophobicContact CB-CG 4.29Å; K278-F297 HydrophobicContact CB-CZ 4.44Å; K278-F297 HydrophobicContact CD-CD1 4.23Å; K278-F297 HydrophobicContact CG-CB 4.44Å; K278-F297 HydrophobicContact CG-CD1 4.07Å; K278-F297 HydrophobicContact CG-CG 4.22Å |
| 279 | A | 85.7 | Confident | 81 | Confident | 58 Ų | 58 | 96 Ų | 96 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.7 | -42.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E275 K276 K282 A283 | E275-A279 WeakPolarHBondContact O-CB 3.46Å; E275-A279 PolarHBondContact O-N 3.28Å; K276-A279 WeakPolarHBondContact O-CB 3.46Å; K276-A279 PolarHBondContact O-N 2.85Å; K276-A279 VanDerWaalsContact O-N 3.16Å; A279-K282 PolarHBondContact O-N 2.71Å; A279-A283 WeakPolarHBondContact O-CB 3.33Å; A279-A283 PolarHBondContact O-N 3.25Å |
| 280 | D | 84.4 | Confident | 80.6 | Confident | 56 Ų | 56 | 93.1 Ų | 93.1 | 30% | 0.299 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 175.2 | -78.6 | -35.2 | 0 | 0 | 0 | 111.5 | K276 K277 A283 G284 K285 | K276-D280 WeakPolarHBondContact O-CB 3.45Å; K276-D280 PolarHBondContact O-N 3.29Å; K277-D280 PolarHBondContact O-N 3.06Å; D280-A283 CarbonylContact O-C 3.15Å; D280-A283 PolarHBondContact O-N 3.48Å; D280-G284 PolarHBondContact O-N 3.09Å; D280-K285 HydrophobicContact CB-CB 4.45Å; D280-K285 WeakPolarHBondContact O-CB 3.19Å; D280-K285 PolarHBondContact O-N 3.05Å |
| 281 | F | 82.1 | Confident | 80.1 | Confident | 31 Ų | 31 | 93.8 Ų | 93.8 | 14% | 0.136 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -60.7 | -48.6 | 171.9 | -176.4 | -100.6 | 0 | 0 | 0 | 111.6 | K277 A283 G284 V289 V294 F297 R298 | K277-F281 WeakPolarHBondContact O-CB 3.18Å; K277-F281 PolarHBondContact O-N 3.38Å; F281-A283 PolarHBondContact O-N 3.18Å; F281-G284 PolarHBondContact O-N 3.29Å; F281-V289 HydrophobicContact CB-CG2 4.21Å; F281-V289 HydrophobicContact CD2-CB 4.41Å; F281-V289 HydrophobicContact CD2-CG1 4.41Å; F281-V289 HydrophobicContact CD2-CG2 4.34Å; F281-V294 HydrophobicContact CD2-CG2 4.33Å; F281-V294 HydrophobicContact CE2-CB 4.23Å; F281-V294 HydrophobicContact CE2-CG1 3.79Å; F281-V294 HydrophobicContact CE2-CG2 3.82Å; F281-V294 HydrophobicContact CZ-CG1 3.86Å; F281-F297 HydrophobicContact CB-CD2 4.27Å; F281-F297 HydrophobicContact CD1-CB 4.09Å; F281-F297 HydrophobicContact CE1-CB 4.44Å; F281-F297 HydrophobicContact CG-CD2 4.37Å; F281-R298 HydrophobicContact CE1-CB 3.89Å; F281-R298 HydrophobicContact CZ-CB 4.35Å |
| 282 | K | 81.8 | Confident | 79.7 | Confident | 191 Ų | 191 | 96.9 Ų | 96.9 | 83% | 0.83 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.7 | -30.2 | 176.6 | -169.9 | 174.2 | -176.1 | 173.5 | 0 | 112.6 | K278 A279 G284 | K278-K282 WeakPolarHBondContact O-CB 3.16Å; K278-K282 PolarHBondContact O-N 3.41Å; A279-K282 PolarHBondContact O-N 2.71Å; K282-G284 PolarHBondContact O-N 3.25Å |
| 283 | A | 85.1 | Confident | 79.2 | Confident | 72 Ų | 72 | 92.4 Ų | 92.4 | 60% | 0.595 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | 2.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A279 D280 F281 | A279-A283 WeakPolarHBondContact O-CB 3.33Å; A279-A283 PolarHBondContact O-N 3.25Å; D280-A283 CarbonylContact O-C 3.15Å; D280-A283 PolarHBondContact O-N 3.48Å; F281-A283 PolarHBondContact O-N 3.18Å |
| 284 | G | 75.8 | Confident | 78.9 | Confident | 60 Ų | 60 | 89.4 Ų | 89.4 | 62% | 0.619 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | 12.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D280 F281 K282 S286 | D280-G284 PolarHBondContact O-N 3.09Å; F281-G284 PolarHBondContact O-N 3.29Å; K282-G284 PolarHBondContact O-N 3.25Å; G284-S286 VanDerWaalsContact C-N 3.27Å; G284-S286 PolarHBondContact O-N 3.16Å |
| 285 | K | 74.7 | Confident | 78.6 | Confident | 127 Ų | 127 | 91.3 Ų | 91.3 | 55% | 0.552 | 49% | 0.486 | S | S | * | . | trans | -91.1 | 59.6 | 172.9 | -65.4 | 172.7 | 177.3 | -171.7 | 0 | 110 | D280 L287 | D280-K285 HydrophobicContact CB-CB 4.45Å; D280-K285 WeakPolarHBondContact O-CB 3.19Å; D280-K285 PolarHBondContact O-N 3.05Å; K285-L287 PolarHBondContact O-N 2.88Å | ||
| 286 | S | 63.7 | Low | 78.1 | Confident | 66 Ų | 66 | 89.3 Ų | 89.3 | 46% | 0.462 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -71.2 | -12.4 | -177.1 | 57.6 | 0 | 0 | 0 | 0 | 114.4 | G284 I288 V289 | G284-S286 VanDerWaalsContact C-N 3.27Å; G284-S286 PolarHBondContact O-N 3.16Å; S286-I288 PolarHBondContact O-N 3.32Å; S286-V289 PolarHBondContact O-N 3.05Å |
| 287 | L | 60.2 | Low | 77.8 | Confident | 175 Ų | 175 | 83.7 Ų | 83.7 | 92% | 0.916 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -65.8 | -16.1 | -175.8 | -82.9 | 151.8 | 0 | 0 | 0 | 115 | K285 | K285-L287 PolarHBondContact O-N 2.88Š|
| 288 | I | 63.9 | Low | 77.3 | Confident | 144 Ų | 144 | 85.7 Ų | 85.7 | 74% | 0.738 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -106.5 | -5.2 | -175.2 | -56 | 174.5 | 0 | 0 | 0 | 111.5 | S286 | S286-I288 PolarHBondContact O-N 3.32Š|
| 289 | V | 75.8 | Confident | 76.8 | Confident | 18 Ų | 18 | 84.5 Ų | 84.5 | 11% | 0.109 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -98.8 | 130.3 | -174.6 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | F281 S286 E293 V294 F297 | F281-V289 HydrophobicContact CB-CG2 4.21Å; F281-V289 HydrophobicContact CD2-CB 4.41Å; F281-V289 HydrophobicContact CD2-CG1 4.41Å; F281-V289 HydrophobicContact CD2-CG2 4.34Å; S286-V289 PolarHBondContact O-N 3.05Å; V289-E293 HydrophobicContact CG1-CB 3.42Å; V289-E293 VanDerWaalsContact CG1-CB 3.42Å; V289-V294 HydrophobicContact CB-CG2 4.21Å; V289-V294 HydrophobicContact CG1-CG2 3.81Å; V289-F297 HydrophobicContact CG1-CD2 3.85Å; V289-F297 HydrophobicContact CG1-CE2 3.68Å |
| 290 | S | 81 | Confident | 76 | Confident | 68 Ų | 68 | 88.4 Ų | 88.4 | 48% | 0.476 | 47% | 0.47 | S | S | . | . | trans | -63 | 146.8 | 177.8 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | R292 E293 V294 | S290-R292 PolarHBondContact O-N 2.98Å; S290-R292 VanDerWaalsContact O-N 3.1Å; S290-E293 PolarHBondContact N-OE2 2.86Å; S290-E293 WeakPolarHBondContact O-CA 3.38Å; S290-E293 WeakPolarHBondContact O-CB 3.47Å; S290-E293 PolarHBondContact O-N 2.98Å; S290-V294 WeakPolarHBondContact O-CG2 3.29Å; S290-V294 PolarHBondContact O-N 3.45Å | ||
| 291 | G | 75.8 | Confident | 75.1 | Confident | 47 Ų | 47 | 89.2 Ų | 89.2 | 49% | 0.485 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -53.6 | -34.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V294 F295 | G291-V294 WeakPolarHBondContact O-CB 3.13Å; G291-V294 PolarHBondContact O-N 2.62Å; G291-F295 WeakPolarHBondContact O-CD2 3.42Å; G291-F295 PolarHBondContact O-N 2.87Å |
| 292 | R | 78.8 | Confident | 74.2 | Confident | 167 Ų | 167 | 92 Ų | 92 | 63% | 0.63 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.7 | -45.9 | 173.2 | -178.4 | 180 | 170.7 | -170.3 | 0.8 | 112.3 | S290 V294 F295 E296 | S290-R292 PolarHBondContact O-N 2.98Å; S290-R292 VanDerWaalsContact O-N 3.1Å; R292-V294 PolarHBondContact O-N 3.27Å; R292-F295 PolarHBondContact O-N 2.97Å; R292-E296 IonicContact CZ-OE1 3.52Å; R292-E296 IonicContact NE-OE1 3.44Å; R292-E296 PolarHBondContact NE-OE1 3Å; R292-E296 IonicContact NH2-OE1 2.73Å; R292-E296 PolarHBondContact NH2-OE1 3.44Å; R292-E296 PolarHBondContact O-N 3.21Å |
| 293 | E | 79.6 | Confident | 73.3 | Confident | 40 Ų | 40 | 88.3 Ų | 88.3 | 19% | 0.187 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -64 | -31.6 | 178.1 | -66.6 | 174.3 | 151.2 | 0 | 0 | 111.2 | K277 V289 S290 F295 E296 F297 | K277-E293 IonicContact NZ-OE1 3.33Å; K277-E293 PolarHBondContact NZ-OE1 2.82Å; V289-E293 HydrophobicContact CG1-CB 3.42Å; V289-E293 VanDerWaalsContact CG1-CB 3.42Å; S290-E293 PolarHBondContact N-OE2 2.86Å; S290-E293 WeakPolarHBondContact O-CA 3.38Å; S290-E293 WeakPolarHBondContact O-CB 3.47Å; S290-E293 PolarHBondContact O-N 2.98Å; E293-F295 PolarHBondContact O-N 3.4Å; E293-E296 PolarHBondContact O-N 3.44Å; E293-F297 HydrophobicContact CB-CD2 4.26Å; E293-F297 HydrophobicContact CB-CE2 3.73Å; E293-F297 HydrophobicContact CB-CZ 4.11Å; E293-F297 WeakPolarHBondContact O-CB 3.35Å; E293-F297 WeakPolarHBondContact O-CD2 3.4Å; E293-F297 WeakPolarHBondContact O-CG 3.46Å; E293-F297 PolarHBondContact O-N 3.33Å |
| 294 | V | 79.9 | Confident | 71.9 | Confident | 29 Ų | 29 | 91 Ų | 91 | 18% | 0.176 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 174.8 | 173.9 | 0 | 0 | 0 | 0 | 111.8 | F281 V289 S290 G291 R292 R298 | F281-V294 HydrophobicContact CD2-CG2 4.33Å; F281-V294 HydrophobicContact CE2-CB 4.23Å; F281-V294 HydrophobicContact CE2-CG1 3.79Å; F281-V294 HydrophobicContact CE2-CG2 3.82Å; F281-V294 HydrophobicContact CZ-CG1 3.86Å; V289-V294 HydrophobicContact CB-CG2 4.21Å; V289-V294 HydrophobicContact CG1-CG2 3.81Å; S290-V294 WeakPolarHBondContact O-CG2 3.29Å; S290-V294 PolarHBondContact O-N 3.45Å; G291-V294 WeakPolarHBondContact O-CB 3.13Å; G291-V294 PolarHBondContact O-N 2.62Å; R292-V294 PolarHBondContact O-N 3.27Å; V294-R298 PolarHBondContact O-N 3.5Å; V294-R298 VanDerWaalsContact O-N 3.1Å |
| 295 | F | 77.6 | Confident | 70.8 | Confident | 114 Ų | 114 | 95.6 Ų | 95.6 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.6 | -35.1 | 176.7 | -70.7 | -71.3 | 0 | 0 | 0 | 112.6 | G291 R292 E293 R298 V302 | G291-F295 WeakPolarHBondContact O-CD2 3.42Å; G291-F295 PolarHBondContact O-N 2.87Å; R292-F295 PolarHBondContact O-N 2.97Å; E293-F295 PolarHBondContact O-N 3.4Å; F295-R298 CarbonylContact O-C 3.59Å; F295-V302 HydrophobicContact CD1-CG2 3.7Å; F295-V302 HydrophobicContact CE1-CG2 3.91Å |
| 296 | E | 78 | Confident | 69.7 | Low | 79 Ų | 79 | 93.8 Ų | 93.8 | 37% | 0.369 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.4 | -34.7 | 175.9 | -69.7 | 172.8 | -173.3 | 0 | 0 | 112.2 | R292 E293 | R292-E296 IonicContact CZ-OE1 3.52Å; R292-E296 IonicContact NE-OE1 3.44Å; R292-E296 PolarHBondContact NE-OE1 3Å; R292-E296 IonicContact NH2-OE1 2.73Å; R292-E296 PolarHBondContact NH2-OE1 3.44Å; R292-E296 PolarHBondContact O-N 3.21Å; E293-E296 PolarHBondContact O-N 3.44Å |
| 297 | F | 79.7 | Confident | 69.3 | Low | 24 Ų | 24 | 98.5 Ų | 98.5 | 11% | 0.105 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -83 | -24.3 | 179.9 | -61 | -28.9 | 0 | 0 | 0 | 114.5 | L274 K277 K278 F281 V289 E293 | L274-F297 HydrophobicContact CD2-CE1 3.69Å; L274-F297 HydrophobicContact CD2-CZ 4.37Å; L274-F297 HydrophobicContact CG-CE1 3.85Å; L274-F297 HydrophobicContact CG-CZ 4.12Å; K277-F297 HydrophobicContact CB-CE2 4Å; K277-F297 HydrophobicContact CB-CZ 4.06Å; K278-F297 HydrophobicContact CB-CD1 4.05Å; K278-F297 HydrophobicContact CB-CE1 4.14Å; K278-F297 HydrophobicContact CB-CG 4.29Å; K278-F297 HydrophobicContact CB-CZ 4.44Å; K278-F297 HydrophobicContact CD-CD1 4.23Å; K278-F297 HydrophobicContact CG-CB 4.44Å; K278-F297 HydrophobicContact CG-CD1 4.07Å; K278-F297 HydrophobicContact CG-CG 4.22Å; F281-F297 HydrophobicContact CB-CD2 4.27Å; F281-F297 HydrophobicContact CD1-CB 4.09Å; F281-F297 HydrophobicContact CE1-CB 4.44Å; F281-F297 HydrophobicContact CG-CD2 4.37Å; V289-F297 HydrophobicContact CG1-CD2 3.85Å; V289-F297 HydrophobicContact CG1-CE2 3.68Å; E293-F297 HydrophobicContact CB-CD2 4.26Å; E293-F297 HydrophobicContact CB-CE2 3.73Å; E293-F297 HydrophobicContact CB-CZ 4.11Å; E293-F297 WeakPolarHBondContact O-CB 3.35Å; E293-F297 WeakPolarHBondContact O-CD2 3.4Å; E293-F297 WeakPolarHBondContact O-CG 3.46Å; E293-F297 PolarHBondContact O-N 3.33Å |
| 298 | R | 74.8 | Confident | 69.2 | Low | 121 Ų | 121 | 99.3 Ų | 99.3 | 46% | 0.457 | 51% | 0.512 | S | S | . | . | trans | -139.9 | 78.6 | 178.2 | -163.8 | 161.4 | -177.1 | -166.9 | 0.7 | 111.3 | F281 V294 F295 E300 L301 | F281-R298 HydrophobicContact CE1-CB 3.89Å; F281-R298 HydrophobicContact CZ-CB 4.35Å; V294-R298 PolarHBondContact O-N 3.5Å; V294-R298 VanDerWaalsContact O-N 3.1Å; F295-R298 CarbonylContact O-C 3.59Å; R298-E300 PolarHBondContact O-N 2.85Å; R298-L301 HydrophobicContact CB-CD1 4.44Å; R298-L301 HydrophobicContact CG-CD1 3.9Å; R298-L301 WeakPolarHBondContact O-CB 3.5Å; R298-L301 PolarHBondContact O-N 2.89Å; R298-L301 VanDerWaalsContact O-N 3.11Å | ||
| 299 | P | 74.9 | Confident | 68.5 | Low | 87 Ų | 87 | 95.3 Ų | 95.3 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -56.4 | -31.4 | 179.1 | -26.1 | 35.3 | 0 | 0 | 0 | 113.7 | L301 V302 | P299-L301 PolarHBondContact O-N 3.21Å; P299-V302 PolarHBondContact O-N 3.07Å |
| 300 | E | 68 | Low | 67.4 | Low | 141 Ų | 141 | 102 Ų | 102 | 66% | 0.659 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -65.3 | -15.9 | 179.7 | -61.4 | 179.9 | 166.5 | 0 | 0 | 114.2 | R298 V302 D303 | R298-E300 PolarHBondContact O-N 2.85Å; E300-V302 PolarHBondContact O-N 3.28Å; E300-D303 PolarHBondContact O-N 3.5Å |
| 301 | L | 65.4 | Low | 65.8 | Low | 73 Ų | 73 | 105.2 Ų | 105.2 | 38% | 0.382 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -70.2 | -13.1 | 177.9 | -129.2 | 100.4 | 0 | 0 | 0 | 113.1 | R298 P299 | R298-L301 HydrophobicContact CB-CD1 4.44Å; R298-L301 HydrophobicContact CG-CD1 3.9Å; R298-L301 WeakPolarHBondContact O-CB 3.5Å; R298-L301 PolarHBondContact O-N 2.89Å; R298-L301 VanDerWaalsContact O-N 3.11Å; P299-L301 PolarHBondContact O-N 3.21Å |
| 302 | V | 63.7 | Low | 64.7 | Low | 88 Ų | 88 | 108.1 Ų | 108.1 | 53% | 0.533 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -73.5 | -29 | 175.4 | 160.3 | 0 | 0 | 0 | 0 | 111.9 | F295 P299 E300 | F295-V302 HydrophobicContact CD1-CG2 3.7Å; F295-V302 HydrophobicContact CE1-CG2 3.91Å; P299-V302 PolarHBondContact O-N 3.07Å; E300-V302 PolarHBondContact O-N 3.28Å |
| 303 | D | 62.2 | Low | 63.2 | Low | 115 Ų | 115 | 108.8 Ų | 108.8 | 62% | 0.615 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | -17.2 | -172.3 | -57.5 | -45.7 | 0 | 0 | 0 | 113.4 | E300 D305 | E300-D303 PolarHBondContact O-N 3.5Å; D303-D305 PolarHBondContact O-N 3.29Å |
| 304 | D | 57.5 | Low | 61.9 | Low | 128 Ų | 128 | 117.2 Ų | 117.2 | 68% | 0.684 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -13.9 | -175.4 | -96.2 | -11.2 | 0 | 0 | 0 | 114.2 | ||
| 305 | D | 51 | Low | 60.2 | Low | 156 Ų | 156 | 119.4 Ų | 119.4 | 83% | 0.834 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 4.4 | 179.9 | -121.7 | -6 | 0 | 0 | 0 | 112.9 | D303 | D303-D305 PolarHBondContact O-N 3.29Š|
| 306 | D | 52 | Low | 58.7 | Low | 89 Ų | 89 | 120 Ų | 120 | 48% | 0.476 | 63% | 0.628 | S | S | . | * | trans | -100.9 | 11.8 | -172.1 | -158.2 | 33.6 | 0 | 0 | 0 | 114.9 | E308 A309 | D306-E308 PolarHBondContact O-N 3.27Å; D306-A309 VanDerWaalsContact OD1-O 3.08Å | ||
| 307 | D | 55.6 | Low | 57.2 | Low | 165 Ų | 165 | 124.9 Ų | 124.9 | 88% | 0.882 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -76.4 | -2.4 | 174.9 | -88.6 | -31.4 | 0 | 0 | 0 | 113.3 | ||
| 308 | E | 58.6 | Low | 55.4 | Low | 192 Ų | 192 | 129.2 Ų | 129.2 | 90% | 0.897 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -128.8 | 4.3 | -176.9 | -159.6 | 86.7 | -144.4 | 0 | 0 | 114.6 | D306 | D306-E308 PolarHBondContact O-N 3.27Š|
| 309 | A | 47.9 | Very low | 53.8 | Low | 60 Ų | 60 | 131.2 Ų | 131.2 | 50% | 0.496 | 69% | 0.691 | S | S | . | * | trans | -135 | 91.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D306 D311 | D306-A309 VanDerWaalsContact OD1-O 3.08Å; A309-D311 PolarHBondContact O-N 3.2Å | ||
| 310 | D | 52.7 | Low | 52 | Low | 160 Ų | 160 | 135.9 Ų | 135.9 | 86% | 0.856 | 71% | 0.705 | S | S | * | * | trans | -58.9 | 101.1 | 163.8 | -177.7 | 31.6 | 0 | 0 | 0 | 110.3 | ||||
| 311 | D | 48.8 | Very low | 50.6 | Low | 135 Ų | 135 | 138.6 Ų | 138.6 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | trans | -169.7 | 110.2 | 145.5 | -108.4 | -26.5 | 0 | 0 | 0 | 113.9 | A309 | A309-D311 PolarHBondContact O-N 3.2Š| ||
| 312 | T | 51.4 | Low | 49 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 66% | 0.656 | 74% | 0.735 | S | S | * | * | trans | 65.9 | 84.7 | 153.4 | 59.1 | 0 | 0 | 0 | 0 | 119.1 | Y314 | T312-Y314 PolarHBondContact O-N 2.96Š| ||
| 313 | Q | 48.3 | Very low | 48 | Very low | 182 Ų | 182 | 146.8 Ų | 146.8 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | trans | -59.4 | 107.3 | 153.2 | -81.9 | -179.1 | -4.1 | 0 | 0 | 110.1 | A315 | Q313-A315 PolarHBondContact O-N 2.98Å; Q313-A315 VanDerWaalsContact O-N 3.14Å | ||
| 314 | Y | 51.3 | Low | 46.7 | Very low | 217 Ų | 217 | 147.9 Ų | 147.9 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | trans | -73.5 | 94.9 | 157.4 | -90.5 | -91.6 | 0 | 0 | 0 | 107.5 | T312 D316 | T312-Y314 PolarHBondContact O-N 2.96Å; Y314-D316 PolarHBondContact O-N 3.43Å | ||
| 315 | A | 44.7 | Very low | 46 | Very low | 75 Ų | 75 | 148.5 Ų | 148.5 | 62% | 0.62 | 75% | 0.753 | S | S | * | * | trans | -65.4 | 102.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q313 E317 | Q313-A315 PolarHBondContact O-N 2.98Å; Q313-A315 VanDerWaalsContact O-N 3.14Å; A315-E317 HydrophobicContact CB-CG 4.25Å; A315-E317 PolarHBondContact O-N 2.86Å | ||
| 316 | D | 45.8 | Very low | 45.3 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 68% | 0.679 | 74% | 0.737 | S | S | * | * | trans | -73.3 | 82 | 162.8 | -166.8 | 34.4 | 0 | 0 | 0 | 107.3 | Y314 T318 | Y314-D316 PolarHBondContact O-N 3.43Å; D316-T318 PolarHBondContact O-N 3.46Å | ||
| 317 | E | 46.1 | Very low | 44.9 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | trans | -70 | 55.1 | 173.5 | -71.5 | -170.7 | 156.6 | 0 | 0 | 110.6 | A315 | A315-E317 HydrophobicContact CB-CG 4.25Å; A315-E317 PolarHBondContact O-N 2.86Å | ||
| 318 | T | 43.1 | Very low | 44.3 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 71% | 0.712 | 73% | 0.729 | S | S | * | * | trans | -160 | 53.9 | 164.3 | -25.3 | 0 | 0 | 0 | 0 | 113.7 | D316 | D316-T318 PolarHBondContact O-N 3.46Š| ||
| 319 | K | 39.9 | Very low | 43.8 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 71% | 0.709 | 70% | 0.698 | S | S | * | * | trans | -137.1 | 85.4 | 154.2 | -95.3 | 174.8 | -174 | 178.1 | 0 | 109.5 | ||||
| 320 | E | 37.5 | Very low | 43.9 | Very low | 184 Ų | 184 | 139.7 Ų | 139.7 | 86% | 0.86 | 71% | 0.708 | S | S | * | * | trans | -52.7 | 151.6 | 152.8 | -64.2 | -129 | 157.6 | 0 | 0 | 108.5 | D322 | E320-D322 PolarHBondContact O-N 3.24Š| ||
| 321 | E | 39.2 | Very low | 44.2 | Very low | 199 Ų | 199 | 133.7 Ų | 133.7 | 93% | 0.93 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -62.2 | 55.5 | -179.1 | -57.8 | 168.8 | 165.1 | 0 | 0 | 112.8 | ||
| 322 | D | 32.2 | Very low | 44.6 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 73% | 0.733 | 69% | 0.685 | S | S | * | * | trans | -82 | 114.3 | 154.1 | -102.8 | -32.3 | 0 | 0 | 0 | 106.1 | E320 E324 | E320-D322 PolarHBondContact O-N 3.24Å; D322-E324 HydrophobicContact CB-CG 4.32Å; D322-E324 PolarHBondContact O-N 2.89Å | ||
| 323 | E | 41.2 | Very low | 45 | Very low | 195 Ų | 195 | 134 Ų | 134 | 91% | 0.911 | 67% | 0.668 | S | S | * | * | trans | -59.8 | 58.5 | 157 | -65.6 | 173.6 | 156.4 | 0 | 0 | 109.1 | E325 | E323-E325 PolarHBondContact O-N 3.48Š| ||
| 324 | E | 35.9 | Very low | 46 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 65% | 0.65 | 65% | 0.654 | S | S | * | * | trans | -63.5 | 89.9 | 159.2 | -85 | -174.9 | 168.4 | 0 | 0 | 104.9 | D322 T326 | D322-E324 HydrophobicContact CB-CG 4.32Å; D322-E324 PolarHBondContact O-N 2.89Å; E324-T326 PolarHBondContact O-N 2.83Å | ||
| 325 | E | 42 | Very low | 46.6 | Very low | 141 Ų | 141 | 123 Ų | 123 | 66% | 0.659 | 63% | 0.629 | S | S | * | * | trans | -39.7 | 88.2 | 145.7 | -178 | 178.9 | -163.7 | 0 | 0 | 105.4 | R271 E323 D327 | R271-E325 IonicContact CZ-OE1 2.72Å; R271-E325 IonicContact NE-OE1 2.79Å; R271-E325 IonicContact NH2-OE1 2.64Å; R271-E325 PolarHBondContact NH2-OE1 3.43Å; E323-E325 PolarHBondContact O-N 3.48Å; E325-D327 PolarHBondContact O-N 3.39Å | ||
| 326 | T | 36.2 | Very low | 47.5 | Very low | 78 Ų | 78 | 123 Ų | 123 | 48% | 0.479 | 62% | 0.618 | S | S | . | * | trans | -56.2 | 114.4 | 171.9 | 40.9 | 0 | 0 | 0 | 0 | 103.4 | E324 L328 | E324-T326 PolarHBondContact O-N 2.83Å; T326-L328 WeakPolarHBondContact O-CG 3.42Å; T326-L328 PolarHBondContact O-N 3.45Å; T326-L328 WeakPolarHBondContact OG1-CD1 3.28Å; T326-L328 WeakPolarHBondContact OG1-CG 3.4Å | ||
| 327 | D | 44.3 | Very low | 48.5 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 64% | 0.642 | 62% | 0.619 | S | S | * | * | trans | -65.6 | 65.4 | 179.1 | -167.7 | 14.5 | 0 | 0 | 0 | 108.1 | E325 T329 | E325-D327 PolarHBondContact O-N 3.39Å; D327-T329 PolarHBondContact O-N 3.32Å | ||
| 328 | L | 42.5 | Very low | 49.5 | Very low | 105 Ų | 105 | 122.4 Ų | 122.4 | 55% | 0.55 | 61% | 0.614 | S | S | . | * | trans | -79.7 | -1.8 | -176.2 | -67.6 | 177 | 0 | 0 | 0 | 111 | T326 D330 | T326-L328 WeakPolarHBondContact O-CG 3.42Å; T326-L328 PolarHBondContact O-N 3.45Å; T326-L328 WeakPolarHBondContact OG1-CD1 3.28Å; T326-L328 WeakPolarHBondContact OG1-CG 3.4Å; L328-D330 VanDerWaalsContact C-N 3.34Å | ||
| 329 | T | 48.4 | Very low | 50.9 | Low | 41 Ų | 41 | 123 Ų | 123 | 25% | 0.252 | 61% | 0.607 | S | S | . | * | trans | -101 | 47.4 | 167 | 55.8 | 0 | 0 | 0 | 0 | 110.2 | A270 D327 V331 | A270-T329 HydrophobicContact CB-CG2 3.9Å; D327-T329 PolarHBondContact O-N 3.32Å; T329-V331 PolarHBondContact O-N 3.28Å | ||
| 330 | D | 50.9 | Low | 52.3 | Low | 133 Ų | 133 | 123 Ų | 123 | 71% | 0.711 | 61% | 0.613 | S | S | * | * | trans | -68 | 81.4 | 167.3 | -161.4 | 14.5 | 0 | 0 | 0 | 107.8 | L328 Q332 | L328-D330 VanDerWaalsContact C-N 3.34Å; D330-Q332 PolarHBondContact O-N 3.46Å | ||
| 331 | V | 58.3 | Low | 53.6 | Low | 34 Ų | 34 | 118.6 Ų | 118.6 | 21% | 0.206 | 60% | 0.6 | C | S | . | * | trans | -62.5 | 105.6 | 174.6 | 174.9 | 0 | 0 | 0 | 0 | 105.4 | K266 V267 T329 D333 | K266-V331 HydrophobicContact CD-CG1 3.77Å; K266-V331 HydrophobicContact CD-CG2 4.17Å; K266-V331 HydrophobicContact CG-CG2 4.17Å; V267-V331 HydrophobicContact CG2-CG2 4.13Å; T329-V331 PolarHBondContact O-N 3.28Å; V331-D333 VanDerWaalsContact C-N 3.34Å; V331-D333 PolarHBondContact O-N 2.77Å | ||
| 332 | Q | 57.1 | Low | 55.1 | Low | 190 Ų | 190 | 117.2 Ų | 117.2 | 89% | 0.888 | 59% | 0.594 | S | S | * | * | trans | -56.8 | 101.5 | 172.5 | -64.9 | -172.5 | 23.1 | 0 | 0 | 108.2 | D330 | D330-Q332 PolarHBondContact O-N 3.46Š| ||
| 333 | D | 60.5 | Low | 56.4 | Low | 57 Ų | 57 | 117.7 Ų | 117.7 | 31% | 0.305 | 59% | 0.592 | S | S | . | * | trans | -120.9 | 152.9 | 178.8 | -170.9 | -1.4 | 0 | 0 | 0 | 107.7 | K259 R263 V331 D335 | K259-D333 WeakPolarHBondContact CE-OD1 3.33Å; K259-D333 WeakPolarHBondContact CE-OD2 3.33Å; K259-D333 IonicContact NZ-OD1 3.01Å; K259-D333 PolarHBondContact NZ-OD1 3.12Å; K259-D333 IonicContact NZ-OD2 2.62Å; K259-D333 PolarHBondContact NZ-OD2 2.73Å; R263-D333 IonicContact CZ-OD2 2.99Å; R263-D333 IonicContact NE-OD2 3.41Å; R263-D333 PolarHBondContact NE-OD2 3.23Å; R263-D333 IonicContact NH2-OD2 2.77Å; R263-D333 PolarHBondContact NH2-OD2 2.96Å; V331-D333 VanDerWaalsContact C-N 3.34Å; V331-D333 PolarHBondContact O-N 2.77Å; D333-D335 PolarHBondContact O-N 3.44Å | ||
| 334 | I | 68.8 | Low | 57.5 | Low | 109 Ų | 109 | 113.5 Ų | 113.5 | 56% | 0.559 | 58% | 0.58 | S | S | * | * | trans | -59.9 | 113.7 | 176.7 | -59.6 | 169.5 | 0 | 0 | 0 | 107.9 | K259 L336 F339 | K259-I334 PolarHBondContact NZ-O 3.02Å; I334-L336 PolarHBondContact O-N 3.34Å; I334-F339 HydrophobicContact CG2-CD2 4.1Å; I334-F339 HydrophobicContact CG2-CE2 3.34Å; I334-F339 HydrophobicContact CG2-CZ 4.06Å | ||
| 335 | D | 64.1 | Low | 58.3 | Low | 60 Ų | 60 | 113 Ų | 113 | 32% | 0.321 | 58% | 0.581 | S | S | . | * | trans | -62.6 | 100.7 | 178 | 178.7 | 10.5 | 0 | 0 | 0 | 110 | D333 S337 R338 | D333-D335 PolarHBondContact O-N 3.44Å; D335-S337 PolarHBondContact O-N 3Å; D335-S337 VanDerWaalsContact O-N 3.13Å; D335-S337 VanDerWaalsContact OD1-CB 3.28Å; D335-S337 WeakPolarHBondContact OD1-CB 3.34Å; D335-S337 PolarHBondContact OD1-N 3.5Å; D335-S337 PolarHBondContact OD1-OG 2.88Å; D335-S337 PolarHBondContact OD2-OG 3.36Å; D335-R338 HydrophobicContact CB-CG 4.12Å; D335-R338 WeakPolarHBondContact O-CB 3.18Å; D335-R338 PolarHBondContact O-N 2.87Å; D335-R338 IonicContact OD2-CZ 3.87Å; D335-R338 IonicContact OD2-NE 3.36Å; D335-R338 PolarHBondContact OD2-NE 3.17Å; D335-R338 IonicContact OD2-NH2 3.63Å | ||
| 336 | L | 63.4 | Low | 59.2 | Low | 74 Ų | 74 | 113.5 Ų | 113.5 | 39% | 0.387 | 58% | 0.583 | S | S | . | * | G | 310 helix | trans | -61.6 | -18.6 | -179.5 | -68.9 | 160.5 | 0 | 0 | 0 | 112.3 | L256 K259 I334 R338 F339 | L256-L336 HydrophobicContact CD2-CD1 4Å; L256-L336 HydrophobicContact CD2-CD2 4.49Å; K259-L336 HydrophobicContact CD-CD1 4.15Å; K259-L336 HydrophobicContact CD-CD2 4.5Å; I334-L336 PolarHBondContact O-N 3.34Å; L336-R338 PolarHBondContact O-N 2.97Å; L336-F339 PolarHBondContact O-N 3.25Å; L336-F339 VanDerWaalsContact O-O 3.11Å |
| 337 | S | 66.5 | Low | 60.1 | Low | 100 Ų | 100 | 116 Ų | 116 | 70% | 0.699 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -69.4 | -14.1 | 175.1 | 75.8 | 0 | 0 | 0 | 0 | 113.1 | D335 | D335-S337 PolarHBondContact O-N 3Å; D335-S337 VanDerWaalsContact O-N 3.13Å; D335-S337 VanDerWaalsContact OD1-CB 3.28Å; D335-S337 WeakPolarHBondContact OD1-CB 3.34Å; D335-S337 PolarHBondContact OD1-N 3.5Å; D335-S337 PolarHBondContact OD1-OG 2.88Å; D335-S337 PolarHBondContact OD2-OG 3.36Å |
| 338 | R | 67.2 | Low | 60.6 | Low | 196 Ų | 196 | 113.5 Ų | 113.5 | 74% | 0.74 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -85.1 | -9.8 | 175.4 | -60 | 178.6 | -169.9 | 167 | -1.1 | 113.5 | D335 L336 | D335-R338 HydrophobicContact CB-CG 4.12Å; D335-R338 WeakPolarHBondContact O-CB 3.18Å; D335-R338 PolarHBondContact O-N 2.87Å; D335-R338 IonicContact OD2-CZ 3.87Å; D335-R338 IonicContact OD2-NE 3.36Å; D335-R338 PolarHBondContact OD2-NE 3.17Å; D335-R338 IonicContact OD2-NH2 3.63Å; L336-R338 PolarHBondContact O-N 2.97Å |
| 339 | F | 72.1 | Confident | 61 | Low | 127 Ų | 127 | 113.8 Ų | 113.8 | 56% | 0.557 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -117.8 | 128.6 | -177.8 | -61.9 | -86.2 | 0 | 0 | 0 | 110 | I334 L336 P341 | I334-F339 HydrophobicContact CG2-CD2 4.1Å; I334-F339 HydrophobicContact CG2-CE2 3.34Å; I334-F339 HydrophobicContact CG2-CZ 4.06Å; L336-F339 PolarHBondContact O-N 3.25Å; L336-F339 VanDerWaalsContact O-O 3.11Å; F339-P341 VanDerWaalsContact O-CD 3.3Å; F339-P341 WeakPolarHBondContact O-CD 3.42Å |
| 340 | I | 71.1 | Confident | 61 | Low | 163 Ų | 163 | 117.7 Ų | 117.7 | 84% | 0.836 | 63% | 0.626 | S | S | * | * | trans | -84 | 115.3 | 171.2 | -60.3 | 172.7 | 0 | 0 | 0 | 106.7 | Q342 | I340-Q342 PolarHBondContact O-N 3.38Å; I340-Q342 VanDerWaalsContact O-N 3.14Å | ||
| 341 | P | 64.6 | Low | 61.1 | Low | 92 Ų | 92 | 117.3 Ų | 117.3 | 60% | 0.597 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 116.5 | 177.7 | -13.2 | 28 | 0 | 0 | 0 | 110.2 | L252 F339 | L252-P341 HydrophobicContact CD1-CB 3.36Å; L252-P341 HydrophobicContact CD1-CG 4.26Å; F339-P341 VanDerWaalsContact O-CD 3.3Å; F339-P341 WeakPolarHBondContact O-CD 3.42Å |
| 342 | Q | 69.4 | Low | 60.5 | Low | 170 Ų | 170 | 119.1 Ų | 119.1 | 79% | 0.794 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 116.2 | 173.1 | -174.5 | 172.5 | -0.7 | 0 | 0 | 108.4 | I340 V344 | I340-Q342 PolarHBondContact O-N 3.38Å; I340-Q342 VanDerWaalsContact O-N 3.14Å; Q342-V344 PolarHBondContact O-N 2.64Å |
| 343 | E | 60.7 | Low | 60.2 | Low | 147 Ų | 147 | 114 Ų | 114 | 69% | 0.687 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 118.1 | 168.8 | -65.4 | -169.8 | 157.2 | 0 | 0 | 108.2 | ||
| 344 | V | 64 | Low | 59.8 | Low | 108 Ų | 108 | 118.4 Ų | 118.4 | 66% | 0.655 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 119.3 | 170.1 | -71.9 | 0 | 0 | 0 | 0 | 108.6 | Q342 H346 I349 | Q342-V344 PolarHBondContact O-N 2.64Å; V344-H346 PolarHBondContact O-N 3.33Å; V344-I349 HydrophobicContact CG2-CD1 4.4Å |
| 345 | D | 53.3 | Low | 58.8 | Low | 128 Ų | 128 | 118.2 Ų | 118.2 | 68% | 0.684 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -60 | 120.1 | 175.5 | -76.1 | -36.7 | 0 | 0 | 0 | 109.9 | T347 | D345-T347 PolarHBondContact O-N 3.47Š|
| 346 | H | 59.6 | Low | 58.2 | Low | 151 Ų | 151 | 124.4 Ų | 124.4 | 70% | 0.699 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 12.5 | -175.7 | 49.1 | -77.5 | 0 | 0 | 0 | 113 | V344 G348 | V344-H346 PolarHBondContact O-N 3.33Å; H346-G348 PolarHBondContact O-N 3.31Å |
| 347 | T | 55.9 | Low | 57.3 | Low | 131 Ų | 131 | 130 Ų | 130 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 5.1 | 179.8 | 51.5 | 0 | 0 | 0 | 0 | 113.9 | D345 | D345-T347 PolarHBondContact O-N 3.47Š|
| 348 | G | 54.5 | Low | 56.4 | Low | 68 Ų | 68 | 128.8 Ų | 128.8 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -141 | -2.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116 | H346 T350 | H346-G348 PolarHBondContact O-N 3.31Å; G348-T350 PolarHBondContact O-N 2.73Å |
| 349 | I | 51.1 | Low | 55.3 | Low | 110 Ų | 110 | 124 Ų | 124 | 56% | 0.564 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -82.1 | 110.6 | 176.3 | -61.1 | 170.5 | 0 | 0 | 0 | 107.1 | V344 V351 | V344-I349 HydrophobicContact CG2-CD1 4.4Å; I349-V351 PolarHBondContact O-N 3.37Å |
| 350 | T | 48.3 | Very low | 54.1 | Low | 123 Ų | 123 | 129 Ų | 129 | 76% | 0.755 | 71% | 0.705 | S | S | * | * | trans | -54.5 | 105.3 | 179.2 | 50.1 | 0 | 0 | 0 | 0 | 109.7 | G348 A352 | G348-T350 PolarHBondContact O-N 2.73Å; T350-A352 PolarHBondContact O-N 2.81Å | ||
| 351 | V | 52.7 | Low | 52.9 | Low | 125 Ų | 125 | 128.3 Ų | 128.3 | 76% | 0.758 | 70% | 0.703 | S | S | * | * | trans | -57.8 | 110.4 | 166.2 | -179.3 | 0 | 0 | 0 | 0 | 105.8 | I349 S353 | I349-V351 PolarHBondContact O-N 3.37Å; V351-S353 VanDerWaalsContact C-N 3.3Å; V351-S353 PolarHBondContact O-N 3.41Å | ||
| 352 | A | 46.1 | Very low | 52 | Low | 73 Ų | 73 | 132.2 Ų | 132.2 | 60% | 0.603 | 71% | 0.714 | S | S | * | * | trans | -62.4 | 100.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | T350 T354 | T350-A352 PolarHBondContact O-N 2.81Å; A352-T354 PolarHBondContact O-N 3.29Å | ||
| 353 | S | 51.2 | Low | 50.6 | Low | 81 Ų | 81 | 130.8 Ų | 130.8 | 57% | 0.566 | 72% | 0.716 | S | S | * | * | trans | -57.3 | 137.6 | 176.7 | -48.8 | 0 | 0 | 0 | 0 | 108.3 | V351 D355 R356 | V351-S353 VanDerWaalsContact C-N 3.3Å; V351-S353 PolarHBondContact O-N 3.41Å; S353-D355 PolarHBondContact O-N 3.14Å; S353-R356 PolarHBondContact O-N 3.26Å | ||
| 354 | T | 51.5 | Low | 49.6 | Very low | 150 Ų | 150 | 128.4 Ų | 128.4 | 92% | 0.92 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.7 | -8 | 177.3 | 34.5 | 0 | 0 | 0 | 0 | 114.4 | A352 | A352-T354 PolarHBondContact O-N 3.29Š|
| 355 | D | 47.9 | Very low | 48.4 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 57% | 0.567 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 3.6 | -171.4 | -145.4 | 19 | 0 | 0 | 0 | 114.6 | S353 F357 S358 | S353-D355 PolarHBondContact O-N 3.14Å; D355-F357 PolarHBondContact O-N 3.3Å; D355-S358 PolarHBondContact O-N 2.77Å; D355-S358 WeakPolarHBondContact OD1-CB 3.48Å; D355-S358 PolarHBondContact OD1-OG 3.35Å |
| 356 | R | 50.4 | Low | 47.4 | Very low | 189 Ų | 189 | 127.3 Ų | 127.3 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -17.1 | 176.4 | -98.8 | -176.6 | 163 | 155 | -2.8 | 114.2 | S353 | S353-R356 PolarHBondContact O-N 3.26Š|
| 357 | F | 45.6 | Very low | 46.4 | Very low | 191 Ų | 191 | 127 Ų | 127 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -20.6 | 176.7 | -83.6 | -85.7 | 0 | 0 | 0 | 113.5 | D355 | D355-F357 PolarHBondContact O-N 3.3Š|
| 358 | S | 47.2 | Very low | 45.3 | Very low | 76 Ų | 76 | 128.6 Ų | 128.6 | 53% | 0.531 | 74% | 0.742 | S | S | . | * | G | 310 helix | trans | -74.9 | -28 | -178 | -48.6 | 0 | 0 | 0 | 0 | 113.1 | D355 R360 | D355-S358 PolarHBondContact O-N 2.77Å; D355-S358 WeakPolarHBondContact OD1-CB 3.48Å; D355-S358 PolarHBondContact OD1-OG 3.35Å; S358-R360 VanDerWaalsContact C-N 3.3Å; S358-R360 PolarHBondContact O-N 2.95Å |
| 359 | S | 44.9 | Very low | 44.9 | Very low | 94 Ų | 94 | 132 Ų | 132 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -81.1 | -1.7 | -175.2 | 50.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 360 | R | 46.8 | Very low | 44.9 | Very low | 234 Ų | 234 | 134.4 Ų | 134.4 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -85.7 | -8.4 | 176.3 | -166.6 | 75.5 | 170.9 | -100.1 | -2.8 | 112.9 | S358 | S358-R360 VanDerWaalsContact C-N 3.3Å; S358-R360 PolarHBondContact O-N 2.95Å |
| 361 | N | 45.7 | Very low | 44.7 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -103.9 | -2.7 | -172.4 | -153.1 | 32.9 | 0 | 0 | 0 | 115.7 | ||
| 362 | E | 46.2 | Very low | 44.2 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -134.8 | 88.3 | 172.7 | -66.4 | -149.2 | 160.3 | 0 | 0 | 110.6 | ||
| 363 | V | 38.4 | Very low | 44.1 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | trans | -173.5 | 98.6 | 133.1 | 175.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 364 | A | 40.9 | Very low | 43.7 | Very low | 97 Ų | 97 | 145.8 Ų | 145.8 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -132 | 78.1 | 160 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 365 | T | 37.3 | Very low | 42.9 | Very low | 136 Ų | 136 | 143.8 Ų | 143.8 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | -164.3 | 118.6 | 151.5 | 37.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 366 | G | 32.2 | Very low | 42.3 | Very low | 78 Ų | 78 | 144.6 Ų | 144.6 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 137.3 | 92.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 367 | D | 39.4 | Very low | 41.5 | Very low | 144 Ų | 144 | 139.8 Ų | 139.8 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | trans | -32.3 | 131.7 | 154.3 | -103.1 | -106.3 | 0 | 0 | 0 | 113.2 | ||||
| 368 | N | 33.2 | Very low | 40.8 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | trans | -171.1 | 99.8 | 140 | -102.7 | -79.2 | 0 | 0 | 0 | 108.6 | ||||
| 369 | D | 46.6 | Very low | 40.2 | Very low | 141 Ų | 141 | 135.6 Ų | 135.6 | 75% | 0.754 | 83% | 0.83 | S | S | * | * | trans | -67.4 | 121.9 | 159.2 | -73.1 | -65.3 | 0 | 0 | 0 | 108.8 | ||||
| 370 | D | 50.3 | Low | 39.6 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 86% | 0.856 | 84% | 0.844 | S | S | * | * | trans | 140.5 | 63.4 | 157.8 | -81.2 | -43.5 | 0 | 0 | 0 | 113.1 | ||||
| 371 | Q | 43.6 | Very low | 39.1 | Very low | 187 Ų | 187 | 133.8 Ų | 133.8 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | trans | -163.4 | 69 | 149.9 | -137.7 | 157.9 | -15.4 | 0 | 0 | 114.9 | ||||
| 372 | L | 43.3 | Very low | 38.6 | Very low | 166 Ų | 166 | 135 Ų | 135 | 87% | 0.869 | 84% | 0.843 | S | S | * | * | trans | -124.1 | 87.3 | 161.6 | -67.6 | 176.9 | 0 | 0 | 0 | 108.5 | ||||
| 373 | N | 42.7 | Very low | 37.8 | Very low | 167 Ų | 167 | 129.7 Ų | 129.7 | 89% | 0.893 | 84% | 0.836 | S | S | * | * | trans | 175.9 | 82.2 | 154.2 | -88.6 | -18.6 | 0 | 0 | 0 | 110 | ||||
| 374 | S | 43.5 | Very low | 37.4 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 85% | 0.846 | 84% | 0.84 | S | S | * | * | trans | -167.2 | 81.9 | 157 | -170.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 375 | A | 34.7 | Very low | 36.9 | Very low | 107 Ų | 107 | 133 Ų | 133 | 88% | 0.884 | 84% | 0.844 | S | S | * | * | trans | -153 | 65.4 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 376 | C | 34.7 | Very low | 36.6 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 84% | 0.838 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -138.7 | 118.7 | 157.6 | 72.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 377 | G | 33.5 | Very low | 36.4 | Very low | 87 Ų | 87 | 130 Ų | 130 | 90% | 0.897 | 84% | 0.84 | S | S | * | * | trans | 63 | 115.7 | 152.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 378 | G | 31.1 | Very low | 35.9 | Very low | 83 Ų | 83 | 132.5 Ų | 132.5 | 86% | 0.856 | 85% | 0.847 | S | S | * | * | trans | 172.9 | 108.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 379 | A | 35.1 | Very low | 35.7 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 79% | 0.793 | 85% | 0.848 | S | S | * | * | trans | -72.5 | 151.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 380 | E | 33.7 | Very low | 34.9 | Very low | 201 Ų | 201 | 129.3 Ų | 129.3 | 94% | 0.939 | 85% | 0.846 | S | S | * | * | trans | -167.7 | 148.9 | 131.7 | 46.6 | -159.3 | 119.7 | 0 | 0 | 113.3 | ||||
| 381 | A | 35.7 | Very low | 34 | Very low | 90 Ų | 90 | 126 Ų | 126 | 74% | 0.744 | 85% | 0.849 | S | S | * | * | trans | -82.5 | 156.6 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 382 | N | 34.9 | Very low | 33.4 | Very low | 173 Ų | 173 | 120.7 Ų | 120.7 | 93% | 0.925 | 85% | 0.846 | S | S | * | * | trans | -157.1 | 95 | 143.3 | -112.8 | -14.6 | 0 | 0 | 0 | 113.5 | ||||
| 383 | G | 30.3 | Very low | 32.9 | Very low | 63 Ų | 63 | 121.9 Ų | 121.9 | 65% | 0.649 | 85% | 0.846 | S | S | * | * | 58.8 | 102.9 | 121.8 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 384 | L | 28.6 | Very low | 32.5 | Very low | 177 Ų | 177 | 121.8 Ų | 121.8 | 93% | 0.927 | 85% | 0.846 | S | S | * | * | 62.7 | 116.7 | 116.4 | -72.7 | 158.8 | 0 | 0 | 0 | 123 | |||||
| 385 | S | 31.8 | Very low | 32.3 | Very low | 127 Ų | 127 | 124 Ų | 124 | 89% | 0.888 | 84% | 0.843 | S | S | * | * | -178.7 | 132.9 | 119.5 | 63.6 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 386 | G | 29 | Very low | 32.6 | Very low | 80 Ų | 80 | 128.3 Ų | 128.3 | 83% | 0.825 | 85% | 0.845 | S | S | * | * | cis | 173.7 | 153.3 | -3.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 387 | G | 28.8 | Very low | 32.9 | Very low | 71 Ų | 71 | 130.3 Ų | 130.3 | 73% | 0.732 | 84% | 0.842 | S | S | * | * | trans | 94.1 | 100.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 388 | E | 29 | Very low | 33.4 | Very low | 198 Ų | 198 | 133.9 Ų | 133.9 | 93% | 0.925 | 84% | 0.84 | S | S | * | * | trans | 82.9 | 121.8 | 136.1 | -70.9 | 168.9 | 104.1 | 0 | 0 | 123.1 | ||||
| 389 | D | 29.3 | Very low | 34.2 | Very low | 169 Ų | 169 | 137.1 Ų | 137.1 | 90% | 0.904 | 84% | 0.837 | S | S | * | * | trans | 97.3 | 112 | 139.2 | -145.3 | 51 | 0 | 0 | 0 | 120.9 | ||||
| 390 | G | 29.4 | Very low | 35.2 | Very low | 69 Ų | 69 | 138.3 Ų | 138.3 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | 92.2 | 77.5 | 126.3 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 391 | G | 32 | Very low | 36 | Very low | 89 Ų | 89 | 134.6 Ų | 134.6 | 92% | 0.918 | 83% | 0.827 | S | S | * | * | 77.2 | 114.5 | 127.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 392 | G | 30.5 | Very low | 37.1 | Very low | 77 Ų | 77 | 135.1 Ų | 135.1 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | 146.8 | 89.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 393 | E | 33.5 | Very low | 38.2 | Very low | 190 Ų | 190 | 135.2 Ų | 135.2 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | trans | -89.7 | 108.2 | 166.9 | -72.5 | 177.5 | 172.6 | 0 | 0 | 107.6 | ||||
| 394 | D | 32.8 | Very low | 39.5 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | -76.8 | 116.6 | 161.3 | -76.7 | -45.8 | 0 | 0 | 0 | 107.7 | ||||
| 395 | E | 39.6 | Very low | 40.9 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | -75.8 | 119.4 | 171 | -69.5 | -178.7 | 153 | 0 | 0 | 108.9 | E397 | E395-E397 PolarHBondContact O-N 3.24Å; E395-E397 VanDerWaalsContact O-N 3.12Å | ||
| 396 | E | 42.4 | Very low | 41.7 | Very low | 199 Ų | 199 | 137.5 Ų | 137.5 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | trans | -68.3 | 101.1 | 164.2 | -72.6 | -176.5 | 167 | 0 | 0 | 108.7 | D398 | E396-D398 PolarHBondContact O-N 3.1Š| ||
| 397 | E | 40.3 | Very low | 43.1 | Very low | 166 Ų | 166 | 137.7 Ų | 137.7 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -80 | 109.7 | 168.8 | -74.4 | -170 | 159.4 | 0 | 0 | 110.1 | E395 I399 | E395-E397 PolarHBondContact O-N 3.24Å; E395-E397 VanDerWaalsContact O-N 3.12Å; E397-I399 PolarHBondContact O-N 2.92Å; E397-I399 VanDerWaalsContact O-N 3.15Å | ||
| 398 | D | 43.3 | Very low | 44.2 | Very low | 161 Ų | 161 | 136.6 Ų | 136.6 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | -63 | 108.5 | 164.3 | -82.5 | -42.2 | 0 | 0 | 0 | 109.6 | E396 P400 | E396-D398 PolarHBondContact O-N 3.1Å; D398-P400 VanDerWaalsContact O-CD 3.29Å; D398-P400 WeakPolarHBondContact O-CD 3.33Å | ||
| 399 | I | 49 | Very low | 45.3 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 119.2 | 177.7 | -55.2 | 166.2 | 0 | 0 | 0 | 109.1 | E397 V401 | E397-I399 PolarHBondContact O-N 2.92Å; E397-I399 VanDerWaalsContact O-N 3.15Å; I399-V401 PolarHBondContact O-N 2.69Å |
| 400 | P | 54.4 | Low | 46.5 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 119 | 175.3 | -17 | 31.8 | 0 | 0 | 0 | 110.6 | D398 D402 | D398-P400 VanDerWaalsContact O-CD 3.29Å; D398-P400 WeakPolarHBondContact O-CD 3.33Å; P400-D402 PolarHBondContact O-N 3.29Å |
| 401 | V | 52.5 | Low | 47.8 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 75% | 0.745 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 120.3 | 170.3 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | I399 E403 | I399-V401 PolarHBondContact O-N 2.69Å; V401-E403 PolarHBondContact O-N 2.83Å |
| 402 | D | 57.9 | Low | 48.9 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 54% | 0.54 | 72% | 0.718 | S | S | . | * | trans | -78.3 | 105.9 | 175.3 | -169.2 | -5.2 | 0 | 0 | 0 | 109.6 | P400 N404 L405 | P400-D402 PolarHBondContact O-N 3.29Å; D402-N404 PolarHBondContact O-N 3.3Å; D402-N404 VanDerWaalsContact O-N 3.1Å; D402-N404 WeakPolarHBondContact OD1-CB 3.26Å; D402-N404 PolarHBondContact OD1-N 3.49Å; D402-N404 VanDerWaalsContact OD1-N 3.09Å; D402-L405 WeakPolarHBondContact O-CB 3.33Å; D402-L405 PolarHBondContact O-N 3.25Å; D402-L405 VanDerWaalsContact O-N 3.08Å | ||
| 403 | E | 58.4 | Low | 50.2 | Low | 175 Ų | 175 | 137.8 Ų | 137.8 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -62.4 | -11.9 | 177.4 | -68.3 | -177.8 | 164.4 | 0 | 0 | 113.1 | V401 L405 | V401-E403 PolarHBondContact O-N 2.83Å; E403-L405 VanDerWaalsContact C-N 3.34Å |
| 404 | N | 56.4 | Low | 51.2 | Low | 131 Ų | 131 | 134.1 Ų | 134.1 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -86.6 | 0.4 | 174.4 | -68.5 | -22.8 | 0 | 0 | 0 | 114 | D402 F406 | D402-N404 PolarHBondContact O-N 3.3Å; D402-N404 VanDerWaalsContact O-N 3.1Å; D402-N404 WeakPolarHBondContact OD1-CB 3.26Å; D402-N404 PolarHBondContact OD1-N 3.49Å; D402-N404 VanDerWaalsContact OD1-N 3.09Å; N404-F406 VanDerWaalsContact C-N 3.27Å |
| 405 | L | 58.2 | Low | 52.5 | Low | 132 Ų | 132 | 131.2 Ų | 131.2 | 69% | 0.691 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -77.1 | -16.4 | 175.9 | -158.9 | 71.2 | 0 | 0 | 0 | 112.6 | D402 E403 | D402-L405 WeakPolarHBondContact O-CB 3.33Å; D402-L405 PolarHBondContact O-N 3.25Å; D402-L405 VanDerWaalsContact O-N 3.08Å; E403-L405 VanDerWaalsContact C-N 3.34Å |
| 406 | F | 49.6 | Very low | 53.3 | Low | 151 Ų | 151 | 130 Ų | 130 | 66% | 0.662 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -104.7 | 77.8 | 171.3 | -62.8 | -81.9 | 0 | 0 | 0 | 108.9 | N404 | N404-F406 VanDerWaalsContact C-N 3.27Š|
| 407 | T | 58.1 | Low | 54.2 | Low | 85 Ų | 85 | 126.4 Ų | 126.4 | 52% | 0.521 | 66% | 0.657 | S | S | . | * | trans | -69.4 | 134.1 | 167.9 | 45.3 | 0 | 0 | 0 | 0 | 108.3 | E409 D410 | T407-E409 PolarHBondContact O-N 3.18Å; T407-D410 PolarHBondContact O-N 2.75Å; T407-D410 VanDerWaalsContact O-N 3.1Å | ||
| 408 | G | 51.4 | Low | 55.1 | Low | 47 Ų | 47 | 124.6 Ų | 124.6 | 49% | 0.485 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.4 | -4.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | L411 E412 | G408-L411 PolarHBondContact O-N 3.47Å; G408-E412 PolarHBondContact O-N 2.97Å |
| 409 | E | 52.1 | Low | 55.6 | Low | 153 Ų | 153 | 122.6 Ų | 122.6 | 72% | 0.715 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.6 | -37.5 | 172.6 | -153.9 | 162.2 | -171 | 0 | 0 | 111.6 | T407 L411 E412 E413 | T407-E409 PolarHBondContact O-N 3.18Å; E409-L411 PolarHBondContact O-N 2.63Å; E409-E412 PolarHBondContact O-N 2.97Å; E409-E413 PolarHBondContact O-N 2.85Å |
| 410 | D | 55.3 | Low | 55.8 | Low | 87 Ų | 87 | 120.9 Ų | 120.9 | 47% | 0.465 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -70.7 | -18.5 | 176.1 | -74 | -8 | 0 | 0 | 0 | 112.9 | T407 | T407-D410 PolarHBondContact O-N 2.75Å; T407-D410 VanDerWaalsContact O-N 3.1Å |
| 411 | L | 55.5 | Low | 55.5 | Low | 118 Ų | 118 | 122 Ų | 122 | 62% | 0.618 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -91.9 | -27.8 | -179.3 | -126 | 150.6 | 0 | 0 | 0 | 111.4 | G408 E409 D415 | G408-L411 PolarHBondContact O-N 3.47Å; E409-L411 PolarHBondContact O-N 2.63Å; L411-D415 PolarHBondContact O-N 3.24Å |
| 412 | E | 55.3 | Low | 55.1 | Low | 138 Ų | 138 | 118.9 Ų | 118.9 | 65% | 0.645 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -72.1 | -36.7 | 171.5 | -75.8 | 176.5 | 179.8 | 0 | 0 | 111.2 | G408 E409 L414 D415 E416 | G408-E412 PolarHBondContact O-N 2.97Å; E409-E412 PolarHBondContact O-N 2.97Å; E412-L414 VanDerWaalsContact C-N 3.32Å; E412-L414 PolarHBondContact O-N 2.99Å; E412-D415 PolarHBondContact O-N 3.37Å; E412-E416 PolarHBondContact O-N 3.22Å |
| 413 | E | 57.4 | Low | 54.5 | Low | 132 Ų | 132 | 121.1 Ų | 121.1 | 62% | 0.617 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63.8 | -35.8 | 175.2 | -169.8 | 169.7 | -163.5 | 0 | 0 | 112.3 | E409 E417 | E409-E413 PolarHBondContact O-N 2.85Å; E413-E417 WeakPolarHBondContact O-CB 3.4Å; E413-E417 PolarHBondContact O-N 3.32Å |
| 414 | L | 55.7 | Low | 53.7 | Low | 113 Ų | 113 | 121.8 Ų | 121.8 | 59% | 0.592 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -70.9 | -32 | 175.1 | -81.4 | 166.9 | 0 | 0 | 0 | 113.5 | E412 L418 | E412-L414 VanDerWaalsContact C-N 3.32Å; E412-L414 PolarHBondContact O-N 2.99Å; L414-L418 WeakPolarHBondContact O-CB 3.38Å; L414-L418 PolarHBondContact O-N 2.96Å; L414-L418 VanDerWaalsContact O-N 3.14Å |
| 415 | D | 58.9 | Low | 53 | Low | 104 Ų | 104 | 126.4 Ų | 126.4 | 56% | 0.556 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -77.3 | -30.1 | 177.8 | -147.8 | 37.4 | 0 | 0 | 0 | 111.1 | L411 E412 N419 | L411-D415 PolarHBondContact O-N 3.24Å; E412-D415 PolarHBondContact O-N 3.37Å; D415-N419 PolarHBondContact O-N 3.12Å; D415-N419 PolarHBondContact O-ND2 3.15Å |
| 416 | E | 58.1 | Low | 52.8 | Low | 141 Ų | 141 | 126.1 Ų | 126.1 | 66% | 0.659 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -72.5 | -36.6 | 170.3 | -72.1 | -172.9 | 171.8 | 0 | 0 | 112.7 | E412 L418 N419 T420 | E412-E416 PolarHBondContact O-N 3.22Å; E416-L418 VanDerWaalsContact C-N 3.32Å; E416-L418 PolarHBondContact O-N 2.95Å; E416-N419 PolarHBondContact O-N 3.24Å; E416-T420 PolarHBondContact O-N 3.08Å; E416-T420 PolarHBondContact O-OG1 2.73Å |
| 417 | E | 60.1 | Low | 52.9 | Low | 123 Ų | 123 | 124.8 Ų | 124.8 | 58% | 0.575 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -69.4 | -29.6 | 175.2 | -151.6 | 176.9 | -159.3 | 0 | 0 | 112 | E413 T420 | E413-E417 WeakPolarHBondContact O-CB 3.4Å; E413-E417 PolarHBondContact O-N 3.32Å; E417-T420 WeakPolarHBondContact CA-OG1 3.1Å; E417-T420 PolarHBondContact O-OG1 2.97Å |
| 418 | L | 59.1 | Low | 52.6 | Low | 128 Ų | 128 | 127 Ų | 127 | 67% | 0.67 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -76.6 | -33 | 175.1 | -158.4 | 119.6 | 0 | 0 | 0 | 112.7 | L414 E416 | L414-L418 WeakPolarHBondContact O-CB 3.38Å; L414-L418 PolarHBondContact O-N 2.96Å; L414-L418 VanDerWaalsContact O-N 3.14Å; E416-L418 VanDerWaalsContact C-N 3.32Å; E416-L418 PolarHBondContact O-N 2.95Å |
| 419 | N | 55.2 | Low | 52.7 | Low | 120 Ų | 120 | 131.7 Ų | 131.7 | 64% | 0.642 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -76.2 | -21.6 | 176 | -83.1 | -57.8 | 0 | 0 | 0 | 113.7 | D415 E416 | D415-N419 PolarHBondContact O-N 3.12Å; D415-N419 PolarHBondContact O-ND2 3.15Å; E416-N419 PolarHBondContact O-N 3.24Å |
| 420 | T | 53 | Low | 52.7 | Low | 116 Ų | 116 | 130.4 Ų | 130.4 | 71% | 0.712 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -86.5 | -13 | 177.5 | 40.7 | 0 | 0 | 0 | 0 | 113.8 | E416 E417 G422 | E416-T420 PolarHBondContact O-N 3.08Å; E416-T420 PolarHBondContact O-OG1 2.73Å; E417-T420 WeakPolarHBondContact CA-OG1 3.1Å; E417-T420 PolarHBondContact O-OG1 2.97Å; T420-G422 PolarHBondContact O-N 3.29Å |
| 421 | L | 47.8 | Very low | 52.6 | Low | 144 Ų | 144 | 133.3 Ų | 133.3 | 75% | 0.754 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -77 | 46.7 | 164.7 | -92.6 | 156.3 | 0 | 0 | 0 | 111.8 | L423 | L421-L423 PolarHBondContact O-N 3.44Å; L421-L423 VanDerWaalsContact O-N 3.1Å |
| 422 | G | 43.3 | Very low | 52.4 | Low | 58 Ų | 58 | 134.4 Ų | 134.4 | 60% | 0.598 | 71% | 0.706 | S | S | * | * | trans | -56.1 | 115.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | T420 E424 | T420-G422 PolarHBondContact O-N 3.29Å; G422-E424 PolarHBondContact O-N 3.47Å | ||
| 423 | L | 45.5 | Very low | 52.1 | Low | 148 Ų | 148 | 134.1 Ų | 134.1 | 78% | 0.775 | 71% | 0.711 | S | S | * | * | trans | -41.3 | 103.8 | 166.5 | -69.5 | 154.7 | 0 | 0 | 0 | 110.9 | L421 D425 | L421-L423 PolarHBondContact O-N 3.44Å; L421-L423 VanDerWaalsContact O-N 3.1Å; L423-D425 PolarHBondContact O-N 3.42Å | ||
| 424 | E | 41.9 | Very low | 51.7 | Low | 189 Ų | 189 | 134.3 Ų | 134.3 | 88% | 0.883 | 72% | 0.719 | S | S | * | * | trans | -74.7 | 97.2 | 149.7 | -81.5 | -174 | 147.8 | 0 | 0 | 107.3 | G422 | G422-E424 PolarHBondContact O-N 3.47Š| ||
| 425 | D | 41.7 | Very low | 51.3 | Low | 227 Ų | 227 | 136.2 Ų | 136.2 | 100% | 1.214 | 73% | 0.731 | S | S | * | * | trans | -146.6 | 0 | 147.2 | -92.7 | -39.9 | 0 | 0 | 0 | 111.3 | L423 | L423-D425 PolarHBondContact O-N 3.42Š|
Retrieved 425 of 425 residues in 221.6 ms
(Link to these results)