| 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 | 40.3 | Very low | 34.5 | Very low | 242 Ų | 242 | 154.8 Ų | 154.8 | 100% | 1.192 | 86% | 0.861 | S | S | * | * | 0 | 108 | 0 | -80.1 | 164.9 | 107.6 | 0 | 0 | 109.8 | |||||
| 2 | K | 32.9 | Very low | 34.9 | Very low | 217 Ų | 217 | 151.3 Ų | 151.3 | 94% | 0.943 | 85% | 0.85 | S | S | * | * | trans | -175.4 | 122.1 | 143.5 | -102.9 | 169.1 | -175 | -177.1 | 0 | 108.4 | ||||
| 3 | R | 33.1 | Very low | 35.6 | Very low | 254 Ų | 254 | 150.7 Ų | 150.7 | 96% | 0.958 | 84% | 0.843 | S | S | * | * | trans | -71.2 | 136.9 | -174.9 | -73.2 | 171.5 | 165.4 | 174.1 | -6.3 | 110.7 | ||||
| 4 | S | 32 | Very low | 36.3 | Very low | 120 Ų | 120 | 150.3 Ų | 150.3 | 84% | 0.839 | 84% | 0.838 | S | S | * | * | trans | -109.8 | 118.3 | 160.6 | 155.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 5 | R | 33.2 | Very low | 36.9 | Very low | 239 Ų | 239 | 142.7 Ų | 142.7 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -73.7 | 120.6 | 177.3 | -78.7 | 173.3 | 164.9 | 169.9 | -5.5 | 108.9 | ||||
| 6 | S | 31.5 | Very low | 37.6 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -84.7 | 125.2 | 159.9 | 66.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 7 | V | 34 | Very low | 38.5 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | -83.9 | 111 | 171.6 | 173.9 | 0 | 0 | 0 | 0 | 106.3 | A9 | V7-A9 PolarHBondContact O-N 2.98Š| ||
| 8 | G | 31.4 | Very low | 39.5 | Very low | 71 Ų | 71 | 137.9 Ų | 137.9 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | -74.3 | 104 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | S10 | G8-S10 PolarHBondContact O-N 2.82Š| ||
| 9 | A | 32.2 | Very low | 40.5 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -73.8 | 109 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | V7 | V7-A9 PolarHBondContact O-N 2.98Š| ||
| 10 | S | 39.8 | Very low | 42.2 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | trans | -80.9 | 113.3 | 167.2 | 38.7 | 0 | 0 | 0 | 0 | 108.2 | G8 | G8-S10 PolarHBondContact O-N 2.82Š| ||
| 11 | S | 39.6 | Very low | 43.9 | Very low | 95 Ų | 95 | 130.2 Ų | 130.2 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | trans | -66.1 | 130.1 | 176.1 | -75.8 | 0 | 0 | 0 | 0 | 111.2 | L13 | S11-L13 PolarHBondContact O-N 3.06Š| ||
| 12 | P | 38.7 | Very low | 46 | Very low | 112 Ų | 112 | 123.3 Ų | 123.3 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -74.6 | -5.4 | -178.2 | -13.1 | 28.2 | 0 | 0 | 0 | 115.1 | N14 | P12-N14 VanDerWaalsContact C-N 3.29Å; P12-N14 PolarHBondContact O-N 3.41Å |
| 13 | L | 43.7 | Very low | 48.6 | Very low | 144 Ų | 144 | 115.8 Ų | 115.8 | 75% | 0.754 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -72.8 | -17.2 | -168.9 | -74.2 | 157 | 0 | 0 | 0 | 114.1 | S11 G15 | S11-L13 PolarHBondContact O-N 3.06Å; L13-G15 VanDerWaalsContact C-N 3.31Å; L13-G15 PolarHBondContact O-N 3.05Å |
| 14 | N | 45.3 | Very low | 51.4 | Low | 145 Ų | 145 | 110.8 Ų | 110.8 | 78% | 0.775 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -80.6 | -7.8 | -176.4 | -126.6 | 6.2 | 0 | 0 | 0 | 114.2 | P12 | P12-N14 VanDerWaalsContact C-N 3.29Å; P12-N14 PolarHBondContact O-N 3.41Å |
| 15 | G | 45.8 | Very low | 54.3 | Low | 37 Ų | 37 | 111.1 Ų | 111.1 | 38% | 0.381 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.4 | -31 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | L13 Q19 | L13-G15 VanDerWaalsContact C-N 3.31Å; L13-G15 PolarHBondContact O-N 3.05Å; G15-Q19 WeakPolarHBondContact O-CG 3.46Å; G15-Q19 PolarHBondContact O-N 2.86Å |
| 16 | I | 48 | Very low | 57.2 | Low | 123 Ų | 123 | 107.1 Ų | 107.1 | 63% | 0.631 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75.7 | -42.4 | -171.3 | -59.9 | 173.4 | 0 | 0 | 0 | 111.2 | K18 Q19 D20 | I16-K18 PolarHBondContact O-N 3.3Å; I16-Q19 PolarHBondContact O-N 3.42Å; I16-D20 PolarHBondContact O-N 2.9Å |
| 17 | G | 53.1 | Low | 60.2 | Low | 56 Ų | 56 | 109.8 Ų | 109.8 | 58% | 0.577 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.2 | -33 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G21 | G17-G21 PolarHBondContact O-N 3.47Å; G17-G21 VanDerWaalsContact O-N 3.16Å |
| 18 | K | 55.8 | Low | 63.2 | Low | 162 Ų | 162 | 104.3 Ų | 104.3 | 70% | 0.704 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70 | -40.9 | 174.7 | -92.6 | -175.2 | 173.5 | -178.6 | 0 | 112.5 | I16 G21 D22 | I16-K18 PolarHBondContact O-N 3.3Å; K18-G21 PolarHBondContact O-N 3.06Å; K18-D22 PolarHBondContact O-N 3.4Å |
| 19 | Q | 60.1 | Low | 66.3 | Low | 147 Ų | 147 | 103.2 Ų | 103.2 | 69% | 0.687 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66 | -38.4 | 177.7 | -75.6 | -175.9 | 3.8 | 0 | 0 | 112.2 | G15 I16 S23 | G15-Q19 WeakPolarHBondContact O-CG 3.46Å; G15-Q19 PolarHBondContact O-N 2.86Å; I16-Q19 PolarHBondContact O-N 3.42Å; Q19-S23 WeakPolarHBondContact O-CB 3.3Å; Q19-S23 PolarHBondContact O-N 3.34Å |
| 20 | D | 73.3 | Confident | 69.4 | Low | 69 Ų | 69 | 101.5 Ų | 101.5 | 37% | 0.369 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.4 | -46.1 | 175.6 | -171.6 | 28.1 | 0 | 0 | 0 | 111.3 | I16 D22 S23 R24 | I16-D20 PolarHBondContact O-N 2.9Å; D20-D22 PolarHBondContact O-N 3Å; D20-S23 PolarHBondContact O-N 3.37Å; D20-S23 VanDerWaalsContact O-N 3.16Å; D20-S23 PolarHBondContact O-OG 3.47Å; D20-R24 WeakPolarHBondContact O-CG 3.32Å; D20-R24 PolarHBondContact O-N 3.16Å; D20-R24 IonicContact OD1-NE 3.01Å; D20-R24 PolarHBondContact OD1-NE 2.78Å; D20-R24 IonicContact OD2-CZ 3.26Å; D20-R24 VanDerWaalsContact OD2-CZ 3.31Å; D20-R24 IonicContact OD2-NE 2.73Å; D20-R24 PolarHBondContact OD2-NE 2.84Å; D20-R24 IonicContact OD2-NH2 3.06Å; D20-R24 PolarHBondContact OD2-NH2 3.07Å |
| 21 | G | 77.6 | Confident | 72.1 | Confident | 37 Ų | 37 | 99.1 Ų | 99.1 | 38% | 0.381 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G17 K18 S23 R24 R25 | G17-G21 PolarHBondContact O-N 3.47Å; G17-G21 VanDerWaalsContact O-N 3.16Å; K18-G21 PolarHBondContact O-N 3.06Å; G21-S23 VanDerWaalsContact C-N 3.29Å; G21-S23 PolarHBondContact O-N 2.76Å; G21-R24 PolarHBondContact O-N 3.38Å; G21-R25 WeakPolarHBondContact O-CB 3.49Å; G21-R25 PolarHBondContact O-N 3.2Å |
| 22 | D | 84.1 | Confident | 74.9 | Confident | 97 Ų | 97 | 94.7 Ų | 94.7 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -35 | 176.3 | -80.1 | -15.8 | 0 | 0 | 0 | 112.2 | K18 D20 K26 | K18-D22 PolarHBondContact O-N 3.4Å; D20-D22 PolarHBondContact O-N 3Å; D22-K26 WeakPolarHBondContact O-CB 3.35Å; D22-K26 VanDerWaalsContact O-CG 3.29Å; D22-K26 WeakPolarHBondContact O-CG 3.49Å; D22-K26 PolarHBondContact O-N 3.22Å |
| 23 | S | 89.4 | Confident | 77.6 | Confident | 59 Ų | 59 | 91.7 Ų | 91.7 | 41% | 0.413 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.6 | -43.6 | 176.5 | 82.4 | 0 | 0 | 0 | 0 | 111.9 | Q19 D20 G21 K26 R27 | Q19-S23 WeakPolarHBondContact O-CB 3.3Å; Q19-S23 PolarHBondContact O-N 3.34Å; D20-S23 PolarHBondContact O-N 3.37Å; D20-S23 VanDerWaalsContact O-N 3.16Å; D20-S23 PolarHBondContact O-OG 3.47Å; G21-S23 VanDerWaalsContact C-N 3.29Å; G21-S23 PolarHBondContact O-N 2.76Å; S23-K26 PolarHBondContact O-N 2.73Å; S23-R27 WeakPolarHBondContact O-CB 3.5Å; S23-R27 PolarHBondContact O-N 3.44Å |
| 24 | R | 91 | Very high | 80.2 | Confident | 149 Ų | 149 | 91.1 Ų | 91.1 | 56% | 0.562 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.3 | -44.2 | 175.2 | -68.8 | 178.6 | -166.6 | -165.5 | 4.5 | 111.3 | D20 G21 R27 K28 | D20-R24 WeakPolarHBondContact O-CG 3.32Å; D20-R24 PolarHBondContact O-N 3.16Å; D20-R24 IonicContact OD1-NE 3.01Å; D20-R24 PolarHBondContact OD1-NE 2.78Å; D20-R24 IonicContact OD2-CZ 3.26Å; D20-R24 VanDerWaalsContact OD2-CZ 3.31Å; D20-R24 IonicContact OD2-NE 2.73Å; D20-R24 PolarHBondContact OD2-NE 2.84Å; D20-R24 IonicContact OD2-NH2 3.06Å; D20-R24 PolarHBondContact OD2-NH2 3.07Å; G21-R24 PolarHBondContact O-N 3.38Å; R24-R27 PolarHBondContact O-N 2.95Å; R24-K28 WeakPolarHBondContact O-CB 3.2Å; R24-K28 PolarHBondContact O-N 3.34Å |
| 25 | R | 93.1 | Very high | 82.6 | Confident | 127 Ų | 127 | 84.4 Ų | 84.4 | 48% | 0.479 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.1 | -47.9 | 176.5 | -172.4 | 178.9 | 175 | 161.5 | 1 | 111.6 | G21 R27 K28 V29 L57 | G21-R25 WeakPolarHBondContact O-CB 3.49Å; G21-R25 PolarHBondContact O-N 3.2Å; R25-R27 VanDerWaalsContact C-N 3.34Å; R25-R27 PolarHBondContact O-N 3.11Å; R25-K28 PolarHBondContact O-N 2.85Å; R25-V29 WeakPolarHBondContact O-CG2 3.46Å; R25-V29 PolarHBondContact O-N 2.99Å; R25-L57 HydrophobicContact CG-CD1 3.93Å; R25-L57 HydrophobicContact CG-CD2 4.38Å |
| 26 | K | 93.8 | Very high | 85 | Confident | 154 Ų | 154 | 84.3 Ų | 84.3 | 67% | 0.67 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -60.3 | -43.3 | 177.3 | -76.5 | 173.2 | -177.6 | 176.4 | 0 | 112.1 | D22 S23 V29 A30 | D22-K26 WeakPolarHBondContact O-CB 3.35Å; D22-K26 VanDerWaalsContact O-CG 3.29Å; D22-K26 WeakPolarHBondContact O-CG 3.49Å; D22-K26 PolarHBondContact O-N 3.22Å; S23-K26 PolarHBondContact O-N 2.73Å; K26-V29 PolarHBondContact O-N 3.48Å; K26-A30 PolarHBondContact O-N 3.1Å |
| 27 | R | 95.4 | Very high | 87.2 | Confident | 173 Ų | 173 | 84.8 Ų | 84.8 | 65% | 0.653 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -60.8 | -46.5 | 176 | -179.1 | 178.1 | 169.3 | 176.8 | -0.9 | 111.5 | S23 R24 R25 V29 A30 E31 | S23-R27 WeakPolarHBondContact O-CB 3.5Å; S23-R27 PolarHBondContact O-N 3.44Å; R24-R27 PolarHBondContact O-N 2.95Å; R25-R27 VanDerWaalsContact C-N 3.34Å; R25-R27 PolarHBondContact O-N 3.11Å; R27-V29 PolarHBondContact O-N 2.87Å; R27-A30 WeakPolarHBondContact O-CB 3.48Å; R27-A30 PolarHBondContact O-N 3.02Å; R27-A30 VanDerWaalsContact O-N 3.14Å; R27-E31 WeakPolarHBondContact CG-OE1 3.41Å; R27-E31 IonicContact CZ-OE1 3.56Å; R27-E31 IonicContact NE-OE1 3.51Å; R27-E31 PolarHBondContact NE-OE1 2.73Å; R27-E31 IonicContact NH2-OE1 3.43Å; R27-E31 PolarHBondContact NH2-OE1 3.43Å; R27-E31 WeakPolarHBondContact O-CG 3.34Å; R27-E31 PolarHBondContact O-N 3.45Å |
| 28 | K | 96.5 | Very high | 89.1 | Confident | 22 Ų | 22 | 85 Ų | 85 | 10% | 0.096 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -60.7 | -43 | 178.2 | -167 | 174.5 | -162.2 | -175.6 | 0 | 112.1 | R24 R25 A30 E31 I32 M49 S52 E53 G55 L57 | R24-K28 WeakPolarHBondContact O-CB 3.2Å; R24-K28 PolarHBondContact O-N 3.34Å; R25-K28 PolarHBondContact O-N 2.85Å; K28-A30 VanDerWaalsContact C-N 3.32Å; K28-A30 PolarHBondContact O-N 3.47Å; K28-E31 PolarHBondContact O-N 3.49Å; K28-I32 HydrophobicContact CG-CD1 4.17Å; K28-I32 VanDerWaalsContact O-CG1 3.31Å; K28-I32 WeakPolarHBondContact O-CG1 3.49Å; K28-I32 PolarHBondContact O-N 2.59Å; K28-M49 WeakPolarHBondContact CE-O 3.45Å; K28-M49 HydrophobicContact CG-SD 3.83Å; K28-M49 PolarHBondContact NZ-O 3.4Å; K28-S52 WeakPolarHBondContact CE-OG 3.4Å; K28-S52 PolarHBondContact NZ-O 3.14Å; K28-S52 PolarHBondContact NZ-OG 3.48Å; K28-E53 PolarHBondContact NZ-O 3.33Å; K28-G55 WeakPolarHBondContact CE-O 3.44Å; K28-G55 PolarHBondContact NZ-O 2.66Å; K28-L57 HydrophobicContact CB-CD1 4.09Å; K28-L57 HydrophobicContact CD-CD1 4.08Å; K28-L57 HydrophobicContact CD-CD2 4.2Å; K28-L57 HydrophobicContact CD-CG 4.22Å; K28-L57 HydrophobicContact CG-CD1 4.15Å |
| 29 | V | 96.9 | Very high | 90.7 | Very high | 49 Ų | 49 | 83.1 Ų | 83.1 | 30% | 0.297 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 174.5 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | R25 K26 R27 S33 L57 I61 | R25-V29 WeakPolarHBondContact O-CG2 3.46Å; R25-V29 PolarHBondContact O-N 2.99Å; K26-V29 PolarHBondContact O-N 3.48Å; R27-V29 PolarHBondContact O-N 2.87Å; V29-S33 WeakPolarHBondContact O-CB 3.45Å; V29-S33 PolarHBondContact O-N 3.2Å; V29-S33 PolarHBondContact O-OG 3.25Å; V29-L57 HydrophobicContact CG2-CD1 3.59Å; V29-I61 HydrophobicContact CG2-CD1 4.09Å |
| 30 | A | 96.3 | Very high | 92.1 | Very high | 59 Ų | 59 | 79.6 Ų | 79.6 | 49% | 0.488 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65 | -43.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K26 R27 K28 S33 Q34 | K26-A30 PolarHBondContact O-N 3.1Å; R27-A30 WeakPolarHBondContact O-CB 3.48Å; R27-A30 PolarHBondContact O-N 3.02Å; R27-A30 VanDerWaalsContact O-N 3.14Å; K28-A30 VanDerWaalsContact C-N 3.32Å; K28-A30 PolarHBondContact O-N 3.47Å; A30-S33 PolarHBondContact O-N 2.72Å; A30-Q34 WeakPolarHBondContact O-CB 3.47Å; A30-Q34 PolarHBondContact O-N 2.64Å |
| 31 | E | 96.8 | Very high | 93 | Very high | 66 Ų | 66 | 77.7 Ų | 77.7 | 31% | 0.308 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 177 | -71.5 | 179.5 | -160.9 | 0 | 0 | 111.8 | R27 K28 S33 Q34 A35 M49 | R27-E31 WeakPolarHBondContact CG-OE1 3.41Å; R27-E31 IonicContact CZ-OE1 3.56Å; R27-E31 IonicContact NE-OE1 3.51Å; R27-E31 PolarHBondContact NE-OE1 2.73Å; R27-E31 IonicContact NH2-OE1 3.43Å; R27-E31 PolarHBondContact NH2-OE1 3.43Å; R27-E31 WeakPolarHBondContact O-CG 3.34Å; R27-E31 PolarHBondContact O-N 3.45Å; K28-E31 PolarHBondContact O-N 3.49Å; E31-S33 VanDerWaalsContact C-N 3.35Å; E31-S33 PolarHBondContact O-N 3.17Å; E31-Q34 PolarHBondContact O-N 3.26Å; E31-A35 WeakPolarHBondContact O-CB 2.86Å; E31-A35 PolarHBondContact O-N 3.23Å; E31-M49 HydrophobicContact CB-SD 4.38Å |
| 32 | I | 97.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.005 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.2 | -45 | 174.3 | -67.8 | 167.4 | 0 | 0 | 0 | 110.9 | K28 Q34 A35 L36 L46 M49 L56 I61 V65 | K28-I32 HydrophobicContact CG-CD1 4.17Å; K28-I32 VanDerWaalsContact O-CG1 3.31Å; K28-I32 WeakPolarHBondContact O-CG1 3.49Å; K28-I32 PolarHBondContact O-N 2.59Å; I32-Q34 VanDerWaalsContact C-N 3.32Å; I32-Q34 PolarHBondContact O-N 3.16Å; I32-A35 PolarHBondContact O-N 3.16Å; I32-L36 HydrophobicContact CG2-CD1 4.07Å; I32-L36 WeakPolarHBondContact O-CG 3.32Å; I32-L36 PolarHBondContact O-N 2.98Å; I32-L46 HydrophobicContact CG2-CD2 3.98Å; I32-M49 HydrophobicContact CD1-CB 4.16Å; I32-M49 HydrophobicContact CG1-CB 3.78Å; I32-M49 HydrophobicContact CG1-CG 3.73Å; I32-L56 HydrophobicContact CD1-CD2 4.17Å; I32-I61 HydrophobicContact CD1-CG2 4.21Å; I32-I61 HydrophobicContact CG2-CG2 3.74Å; I32-V65 HydrophobicContact CG2-CG2 3.94Å |
| 33 | S | 96.8 | Very high | 94.4 | Very high | 50 Ų | 50 | 74.7 Ų | 74.7 | 35% | 0.35 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 179.5 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | V29 A30 E31 L36 N37 | V29-S33 WeakPolarHBondContact O-CB 3.45Å; V29-S33 PolarHBondContact O-N 3.2Å; V29-S33 PolarHBondContact O-OG 3.25Å; A30-S33 PolarHBondContact O-N 2.72Å; E31-S33 VanDerWaalsContact C-N 3.35Å; E31-S33 PolarHBondContact O-N 3.17Å; S33-L36 PolarHBondContact O-N 2.99Å; S33-N37 WeakPolarHBondContact O-CB 3.45Å; S33-N37 PolarHBondContact O-N 3.25Å; S33-N37 VanDerWaalsContact O-N 3.15Å; S33-N37 PolarHBondContact O-ND2 2.97Å |
| 34 | Q | 96.8 | Very high | 94.7 | Very high | 131 Ų | 131 | 73.6 Ų | 73.6 | 61% | 0.612 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.6 | -47.7 | 174.3 | -177.4 | -179.6 | -2 | 0 | 0 | 111 | A30 E31 I32 L36 N37 V38 | A30-Q34 WeakPolarHBondContact O-CB 3.47Å; A30-Q34 PolarHBondContact O-N 2.64Å; E31-Q34 PolarHBondContact O-N 3.26Å; I32-Q34 VanDerWaalsContact C-N 3.32Å; I32-Q34 PolarHBondContact O-N 3.16Å; Q34-L36 VanDerWaalsContact C-N 3.27Å; Q34-L36 PolarHBondContact O-N 3.4Å; Q34-N37 PolarHBondContact O-N 3.3Å; Q34-N37 VanDerWaalsContact O-N 3.1Å; Q34-V38 PolarHBondContact O-N 2.79Å |
| 35 | A | 96.7 | Very high | 94.9 | Very high | 5 Ų | 5 | 67.1 Ų | 67.1 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.3 | -33.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | E31 I32 V38 D42 A45 L46 | E31-A35 WeakPolarHBondContact O-CB 2.86Å; E31-A35 PolarHBondContact O-N 3.23Å; I32-A35 PolarHBondContact O-N 3.16Å; A35-V38 VanDerWaalsContact O-CG2 3.27Å; A35-V38 WeakPolarHBondContact O-CG2 3.49Å; A35-D42 HydrophobicContact CB-CB 4.19Å; A35-D42 PolarHBondContact O-N 3.07Å; A35-A45 HydrophobicContact CB-CB 3.85Å; A35-L46 HydrophobicContact CB-CD2 3.7Å; A35-L46 HydrophobicContact CB-CG 4.03Å |
| 36 | L | 95.1 | Very high | 95.1 | Very high | 35 Ų | 35 | 61.1 Ų | 61.1 | 18% | 0.183 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -73.1 | -28.4 | 174.7 | -74.7 | 169.7 | 0 | 0 | 0 | 113.9 | I32 S33 Q34 L46 K64 V65 R68 | I32-L36 HydrophobicContact CG2-CD1 4.07Å; I32-L36 WeakPolarHBondContact O-CG 3.32Å; I32-L36 PolarHBondContact O-N 2.98Å; S33-L36 PolarHBondContact O-N 2.99Å; Q34-L36 VanDerWaalsContact C-N 3.27Å; Q34-L36 PolarHBondContact O-N 3.4Å; L36-L46 HydrophobicContact CD2-CD1 3.85Å; L36-L46 HydrophobicContact CD2-CD2 4.43Å; L36-L46 HydrophobicContact CG-CD1 4.42Å; L36-L46 HydrophobicContact CG-CD2 4.17Å; L36-K64 HydrophobicContact CD1-CB 3.93Å; L36-K64 HydrophobicContact CD1-CD 4.25Å; L36-K64 HydrophobicContact CD2-CB 4.38Å; L36-V65 HydrophobicContact CD1-CG2 4.09Å; L36-V65 HydrophobicContact CD2-CG2 4.21Å; L36-V65 HydrophobicContact CG-CG2 4.41Å; L36-R68 HydrophobicContact CD2-CG 4.39Å |
| 37 | N | 94.6 | Very high | 95.3 | Very high | 132 Ų | 132 | 55 Ų | 55 | 71% | 0.706 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -93.2 | -14.5 | -172.9 | -71 | -26.8 | 0 | 0 | 0 | 113.8 | S33 Q34 | S33-N37 WeakPolarHBondContact O-CB 3.45Å; S33-N37 PolarHBondContact O-N 3.25Å; S33-N37 VanDerWaalsContact O-N 3.15Å; S33-N37 PolarHBondContact O-ND2 2.97Å; Q34-N37 PolarHBondContact O-N 3.3Å; Q34-N37 VanDerWaalsContact O-N 3.1Å |
| 38 | V | 93.4 | Very high | 95.3 | Very high | 60 Ų | 60 | 53.4 Ų | 53.4 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -73.9 | 151.5 | 174.1 | -67 | 0 | 0 | 0 | 0 | 111.2 | Q34 A35 P40 V41 D42 | Q34-V38 PolarHBondContact O-N 2.79Å; A35-V38 VanDerWaalsContact O-CG2 3.27Å; A35-V38 WeakPolarHBondContact O-CG2 3.49Å; V38-P40 CarbonylContact C-O 3.59Å; V38-P40 VanDerWaalsContact C-O 3.32Å; V38-P40 WeakPolarHBondContact CG2-O 3.38Å; V38-P40 CarbonylContact O-C 3.32Å; V38-V41 WeakPolarHBondContact O-CA 3.39Å; V38-V41 PolarHBondContact O-N 3.4Å; V38-D42 HydrophobicContact CG2-CB 3.8Å |
| 39 | T | 88.6 | Confident | 95.3 | Very high | 123 Ų | 123 | 53.7 Ų | 53.7 | 76% | 0.755 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -122.4 | 116.4 | 178.4 | -56.9 | 0 | 0 | 0 | 0 | 110 | P332 | T39-P332 HydrophobicContact CG2-CG 3.95Š|
| 40 | P | 89.6 | Confident | 95.3 | Very high | 74 Ų | 74 | 51.4 Ų | 51.4 | 48% | 0.481 | 29% | 0.287 | S | S | . | . | S | Bend | cis | -65.8 | 158.7 | -4.4 | 30.4 | -35.2 | 0 | 0 | 0 | 112.5 | V38 D42 Q330 | V38-P40 CarbonylContact C-O 3.59Å; V38-P40 VanDerWaalsContact C-O 3.32Å; V38-P40 WeakPolarHBondContact CG2-O 3.38Å; V38-P40 CarbonylContact O-C 3.32Å; P40-D42 PolarHBondContact O-N 3.38Å; P40-Q330 VanDerWaalsContact CB-O 3.27Å; P40-Q330 WeakPolarHBondContact CB-O 3.44Å |
| 41 | V | 92.8 | Very high | 95.3 | Very high | 29 Ų | 29 | 51.9 Ų | 51.9 | 18% | 0.176 | 28% | 0.281 | C | S | . | . | trans | -57.2 | 133.4 | 176.4 | 172.7 | 0 | 0 | 0 | 0 | 109.3 | V38 V43 L46 R68 | V38-V41 WeakPolarHBondContact O-CA 3.39Å; V38-V41 PolarHBondContact O-N 3.4Å; V41-V43 VanDerWaalsContact C-N 3.31Å; V41-V43 HydrophobicContact CG1-CG2 4.31Å; V41-V43 PolarHBondContact O-N 3.48Å; V41-L46 HydrophobicContact CG1-CD1 3.8Å; V41-R68 HydrophobicContact CG1-CG 4.39Å | ||
| 42 | D | 95.8 | Very high | 95.2 | Very high | 63 Ų | 63 | 51 Ų | 51 | 34% | 0.337 | 28% | 0.281 | S | S | . | . | trans | -81.6 | 78.2 | 179.5 | -173 | -10 | 0 | 0 | 0 | 110.5 | A35 V38 P40 A44 A45 L46 | A35-D42 HydrophobicContact CB-CB 4.19Å; A35-D42 PolarHBondContact O-N 3.07Å; V38-D42 HydrophobicContact CG2-CB 3.8Å; P40-D42 PolarHBondContact O-N 3.38Å; D42-A44 PolarHBondContact O-N 3.05Å; D42-A44 PolarHBondContact OD1-N 3.46Å; D42-A45 HydrophobicContact CB-CB 4.04Å; D42-A45 PolarHBondContact O-N 3.03Å; D42-A45 WeakPolarHBondContact OD1-CB 3.3Å; D42-A45 PolarHBondContact OD1-N 2.8Å; D42-A45 WeakPolarHBondContact OD2-CB 3.46Å; D42-L46 WeakPolarHBondContact O-CG 3.41Å; D42-L46 PolarHBondContact O-N 3.45Å; D42-L46 VanDerWaalsContact O-N 3.11Å | ||
| 43 | V | 95.8 | Very high | 95.1 | Very high | 7 Ų | 7 | 57.9 Ų | 57.9 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.8 | -33.1 | 179.6 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | V41 L46 R47 | V41-V43 VanDerWaalsContact C-N 3.31Å; V41-V43 HydrophobicContact CG1-CG2 4.31Å; V41-V43 PolarHBondContact O-N 3.48Å; V43-L46 PolarHBondContact O-N 2.85Å; V43-R47 WeakPolarHBondContact O-CG 3.34Å; V43-R47 PolarHBondContact O-N 3.07Å |
| 44 | A | 95.3 | Very high | 94.9 | Very high | 36 Ų | 36 | 56.7 Ų | 56.7 | 30% | 0.298 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D42 R47 R48 | D42-A44 PolarHBondContact O-N 3.05Å; D42-A44 PolarHBondContact OD1-N 3.46Å; A44-R47 PolarHBondContact O-N 3.11Å; A44-R48 WeakPolarHBondContact O-CG 3.19Å; A44-R48 PolarHBondContact O-N 3.3Å; A44-R48 VanDerWaalsContact O-N 3.08Å; A44-R48 PolarHBondContact O-NH1 3.36Å |
| 45 | A | 96.1 | Very high | 94.8 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 12% | 0.116 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | A35 D42 R47 R48 M49 | A35-A45 HydrophobicContact CB-CB 3.85Å; D42-A45 HydrophobicContact CB-CB 4.04Å; D42-A45 PolarHBondContact O-N 3.03Å; D42-A45 WeakPolarHBondContact OD1-CB 3.3Å; D42-A45 PolarHBondContact OD1-N 2.8Å; D42-A45 WeakPolarHBondContact OD2-CB 3.46Å; A45-R47 VanDerWaalsContact C-N 3.32Å; A45-R47 PolarHBondContact O-N 3.44Å; A45-R48 VanDerWaalsContact CA-NH2 3.33Å; A45-R48 PolarHBondContact O-N 3.39Å; A45-M49 WeakPolarHBondContact O-CG 3.35Å; A45-M49 PolarHBondContact O-N 3.41Å |
| 46 | L | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 177.4 | -64.3 | 178.4 | 0 | 0 | 0 | 112.3 | I32 A35 L36 V41 D42 V43 M49 A50 V65 R68 L69 | I32-L46 HydrophobicContact CG2-CD2 3.98Å; A35-L46 HydrophobicContact CB-CD2 3.7Å; A35-L46 HydrophobicContact CB-CG 4.03Å; L36-L46 HydrophobicContact CD2-CD1 3.85Å; L36-L46 HydrophobicContact CD2-CD2 4.43Å; L36-L46 HydrophobicContact CG-CD1 4.42Å; L36-L46 HydrophobicContact CG-CD2 4.17Å; V41-L46 HydrophobicContact CG1-CD1 3.8Å; D42-L46 WeakPolarHBondContact O-CG 3.41Å; D42-L46 PolarHBondContact O-N 3.45Å; D42-L46 VanDerWaalsContact O-N 3.11Å; V43-L46 PolarHBondContact O-N 2.85Å; L46-M49 PolarHBondContact O-N 3.47Å; L46-A50 WeakPolarHBondContact O-CB 3.39Å; L46-A50 PolarHBondContact O-N 3.17Å; L46-V65 HydrophobicContact CB-CG1 4.01Å; L46-V65 HydrophobicContact CD1-CG1 4.26Å; L46-V65 HydrophobicContact CD1-CG2 4.5Å; L46-V65 HydrophobicContact CD2-CG1 4.32Å; L46-V65 HydrophobicContact CD2-CG2 3.98Å; L46-V65 HydrophobicContact CG-CG1 4.42Å; L46-R68 HydrophobicContact CD1-CB 4.07Å; L46-R68 HydrophobicContact CD1-CG 4.32Å; L46-L69 HydrophobicContact CB-CD2 4.34Å |
| 47 | R | 96.7 | Very high | 94.8 | Very high | 26 Ų | 26 | 50.5 Ų | 50.5 | 10% | 0.098 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.6 | -47.2 | 173.4 | -76.1 | -174 | -176 | 179.3 | 15.6 | 112.4 | V43 A44 A45 M49 A50 I51 L69 A240 D324 S327 | V43-R47 WeakPolarHBondContact O-CG 3.34Å; V43-R47 PolarHBondContact O-N 3.07Å; A44-R47 PolarHBondContact O-N 3.11Å; A45-R47 VanDerWaalsContact C-N 3.32Å; A45-R47 PolarHBondContact O-N 3.44Å; R47-M49 PolarHBondContact O-N 2.86Å; R47-A50 PolarHBondContact O-N 3.36Å; R47-A50 VanDerWaalsContact O-N 3.15Å; R47-I51 VanDerWaalsContact O-CG1 3.31Å; R47-I51 WeakPolarHBondContact O-CG1 3.35Å; R47-I51 PolarHBondContact O-N 2.87Å; R47-L69 HydrophobicContact CB-CD2 4.45Å; R47-L69 HydrophobicContact CG-CD2 3.49Å; R47-L69 VanDerWaalsContact CG-CD2 3.49Å; R47-A240 HydrophobicContact CB-CB 4.23Å; R47-A240 HydrophobicContact CG-CB 4.11Å; R47-D324 IonicContact CZ-OD1 2.99Å; R47-D324 IonicContact NH1-OD1 3.56Å; R47-D324 PolarHBondContact NH1-OD1 2.89Å; R47-D324 IonicContact NH1-OD2 3.29Å; R47-D324 PolarHBondContact NH1-OD2 3.43Å; R47-D324 IonicContact NH2-OD1 3.2Å; R47-D324 PolarHBondContact NH2-OD1 3.25Å; R47-S327 PolarHBondContact NH2-OG 3.02Å |
| 48 | R | 95.8 | Very high | 94.9 | Very high | 140 Ų | 140 | 45.8 Ų | 45.8 | 53% | 0.528 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -56.6 | -40.4 | 175.2 | -70.7 | -171.5 | -61 | -86.6 | 2.9 | 111.4 | A44 A45 I51 S52 | A44-R48 WeakPolarHBondContact O-CG 3.19Å; A44-R48 PolarHBondContact O-N 3.3Å; A44-R48 VanDerWaalsContact O-N 3.08Å; A44-R48 PolarHBondContact O-NH1 3.36Å; A45-R48 VanDerWaalsContact CA-NH2 3.33Å; A45-R48 PolarHBondContact O-N 3.39Å; R48-I51 PolarHBondContact O-N 3.23Å; R48-S52 VanDerWaalsContact O-CB 3.29Å; R48-S52 WeakPolarHBondContact O-CB 3.21Å; R48-S52 PolarHBondContact O-N 3.24Å; R48-S52 PolarHBondContact O-OG 3.45Å |
| 49 | M | 97.1 | Very high | 95.1 | Very high | 28 Ų | 28 | 45.7 Ų | 45.7 | 14% | 0.138 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 177.5 | -68.1 | -58.9 | 104.4 | 0 | 0 | 112.6 | K28 E31 I32 A45 L46 R47 S52 | K28-M49 WeakPolarHBondContact CE-O 3.45Å; K28-M49 HydrophobicContact CG-SD 3.83Å; K28-M49 PolarHBondContact NZ-O 3.4Å; E31-M49 HydrophobicContact CB-SD 4.38Å; I32-M49 HydrophobicContact CD1-CB 4.16Å; I32-M49 HydrophobicContact CG1-CB 3.78Å; I32-M49 HydrophobicContact CG1-CG 3.73Å; A45-M49 WeakPolarHBondContact O-CG 3.35Å; A45-M49 PolarHBondContact O-N 3.41Å; L46-M49 PolarHBondContact O-N 3.47Å; R47-M49 PolarHBondContact O-N 2.86Å; M49-S52 PolarHBondContact O-OG 2.87Å |
| 50 | A | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.2 | -33.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L46 R47 L56 L69 R233 D236 A240 | L46-A50 WeakPolarHBondContact O-CB 3.39Å; L46-A50 PolarHBondContact O-N 3.17Å; R47-A50 PolarHBondContact O-N 3.36Å; R47-A50 VanDerWaalsContact O-N 3.15Å; A50-L56 HydrophobicContact CB-CD1 4.4Å; A50-L56 HydrophobicContact CB-CD2 3.95Å; A50-L56 HydrophobicContact CB-CG 4.02Å; A50-L69 HydrophobicContact CB-CD1 4.23Å; A50-R233 PolarHBondContact O-NH1 3.32Å; A50-D236 HydrophobicContact CB-CB 4.38Å; A50-D236 WeakPolarHBondContact CB-O 3.44Å; A50-A240 HydrophobicContact CB-CB 3.76Å |
| 51 | I | 96.3 | Very high | 95.8 | Very high | 70 Ų | 70 | 43.6 Ų | 43.6 | 36% | 0.359 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -74.7 | -46.4 | 176.4 | -66.1 | 165.3 | 0 | 0 | 0 | 111.1 | R47 R48 R233 F237 A240 | R47-I51 VanDerWaalsContact O-CG1 3.31Å; R47-I51 WeakPolarHBondContact O-CG1 3.35Å; R47-I51 PolarHBondContact O-N 2.87Å; R48-I51 PolarHBondContact O-N 3.23Å; I51-R233 PolarHBondContact O-NH2 2.87Å; I51-F237 HydrophobicContact CG1-CD2 4.19Å; I51-F237 HydrophobicContact CG2-CD2 4.37Å; I51-F237 HydrophobicContact CG2-CE2 4.28Å; I51-A240 HydrophobicContact CD1-CB 4.29Å; I51-A240 HydrophobicContact CG1-CB 3.88Å |
| 52 | S | 94.7 | Very high | 96.1 | Very high | 46 Ų | 46 | 43.1 Ų | 43.1 | 32% | 0.322 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -59.4 | 157.8 | -177.5 | 65.5 | 0 | 0 | 0 | 0 | 113.9 | K28 R48 M49 G54 G55 R233 | K28-S52 WeakPolarHBondContact CE-OG 3.4Å; K28-S52 PolarHBondContact NZ-O 3.14Å; K28-S52 PolarHBondContact NZ-OG 3.48Å; R48-S52 VanDerWaalsContact O-CB 3.29Å; R48-S52 WeakPolarHBondContact O-CB 3.21Å; R48-S52 PolarHBondContact O-N 3.24Å; R48-S52 PolarHBondContact O-OG 3.45Å; M49-S52 PolarHBondContact O-OG 2.87Å; S52-G54 PolarHBondContact O-N 3.43Å; S52-G55 PolarHBondContact O-N 3.17Å; S52-R233 PolarHBondContact O-NH2 3.31Å |
| 53 | E | 94 | Very high | 96.1 | Very high | 146 Ų | 146 | 42.3 Ų | 42.3 | 68% | 0.682 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -40.8 | 127.3 | -175.9 | -168.2 | -177.4 | -177.6 | 0 | 0 | 113.6 | K28 G55 E285 | K28-E53 PolarHBondContact NZ-O 3.33Å; E53-G55 VanDerWaalsContact C-N 3.29Å; E53-G55 PolarHBondContact O-N 3.36Å; E53-E285 WeakPolarHBondContact CA-OE2 3.15Å; E53-E285 HydrophobicContact CG-CG 4.21Å |
| 54 | G | 92.6 | Very high | 96.1 | Very high | 26 Ų | 26 | 48.3 Ų | 48.3 | 27% | 0.268 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | -1.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | S52 L57 E285 | S52-G54 PolarHBondContact O-N 3.43Å; G54-L57 PolarHBondContact O-N 2.72Å; G54-E285 VanDerWaalsContact CA-OE1 3.32Å; G54-E285 WeakPolarHBondContact CA-OE1 3.44Å; G54-E285 VanDerWaalsContact N-CD 3.33Å; G54-E285 PolarHBondContact N-OE1 3.33Å; G54-E285 PolarHBondContact N-OE2 3.11Å |
| 55 | G | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | -139.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K28 S52 E53 L57 | K28-G55 WeakPolarHBondContact CE-O 3.44Å; K28-G55 PolarHBondContact NZ-O 2.66Å; S52-G55 PolarHBondContact O-N 3.17Å; E53-G55 VanDerWaalsContact C-N 3.29Å; E53-G55 PolarHBondContact O-N 3.36Å; G55-L57 VanDerWaalsContact C-N 3.29Å; G55-L57 PolarHBondContact O-N 3.14Å |
| 56 | L | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 2.9 | -175.5 | -64.1 | 177.3 | 0 | 0 | 0 | 114.5 | I32 A50 T58 I61 R62 V65 D236 | I32-L56 HydrophobicContact CD1-CD2 4.17Å; A50-L56 HydrophobicContact CB-CD1 4.4Å; A50-L56 HydrophobicContact CB-CD2 3.95Å; A50-L56 HydrophobicContact CB-CG 4.02Å; L56-T58 PolarHBondContact O-N 3.4Å; L56-I61 HydrophobicContact CB-CG2 4.07Å; L56-I61 HydrophobicContact CD2-CG2 4.43Å; L56-I61 WeakPolarHBondContact O-CB 3.21Å; L56-I61 WeakPolarHBondContact O-CD1 3.22Å; L56-I61 WeakPolarHBondContact O-CG2 3.28Å; L56-R62 HydrophobicContact CB-CG 3.96Å; L56-R62 HydrophobicContact CD1-CG 4.09Å; L56-V65 HydrophobicContact CD1-CB 3.79Å; L56-V65 HydrophobicContact CD1-CG1 3.56Å; L56-V65 HydrophobicContact CD2-CB 4.33Å; L56-V65 HydrophobicContact CD2-CG1 3.82Å; L56-V65 HydrophobicContact CD2-CG2 4.41Å; L56-V65 HydrophobicContact CG-CG1 4.36Å; L56-D236 HydrophobicContact CD1-CB 4.43Å; L56-D236 HydrophobicContact CG-CB 4.22Å; L56-D236 PolarHBondContact N-OD2 3.2Å |
| 57 | L | 94.9 | Very high | 96.3 | Very high | 41 Ų | 41 | 46 Ų | 46 | 22% | 0.215 | 23% | 0.229 | C | C | . | . | trans | 70.2 | -47.7 | 171.8 | -50.1 | 170.5 | 0 | 0 | 0 | 116.6 | R25 K28 V29 G54 G55 | R25-L57 HydrophobicContact CG-CD1 3.93Å; R25-L57 HydrophobicContact CG-CD2 4.38Å; K28-L57 HydrophobicContact CB-CD1 4.09Å; K28-L57 HydrophobicContact CD-CD1 4.08Å; K28-L57 HydrophobicContact CD-CD2 4.2Å; K28-L57 HydrophobicContact CD-CG 4.22Å; K28-L57 HydrophobicContact CG-CD1 4.15Å; V29-L57 HydrophobicContact CG2-CD1 3.59Å; G54-L57 PolarHBondContact O-N 2.72Å; G55-L57 VanDerWaalsContact C-N 3.29Å; G55-L57 PolarHBondContact O-N 3.14Å | ||
| 58 | T | 96.5 | Very high | 96.3 | Very high | 33 Ų | 33 | 47.5 Ų | 47.5 | 20% | 0.202 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -142.7 | 156.8 | -175.6 | 81.8 | 0 | 0 | 0 | 0 | 113.1 | L56 E60 I61 R62 | L56-T58 PolarHBondContact O-N 3.4Å; T58-E60 VanDerWaalsContact C-N 3.31Å; T58-E60 WeakPolarHBondContact CB-OE2 3.42Å; T58-E60 PolarHBondContact O-N 3.1Å; T58-E60 PolarHBondContact OG1-OE2 3.21Å; T58-I61 WeakPolarHBondContact O-CB 3.35Å; T58-I61 PolarHBondContact O-N 3.33Å; T58-R62 WeakPolarHBondContact O-CG 3.47Å; T58-R62 PolarHBondContact O-N 2.93Å; T58-R62 VanDerWaalsContact O-N 3.09Å |
| 59 | D | 96.4 | Very high | 96.3 | Very high | 57 Ų | 57 | 40.9 Ų | 40.9 | 31% | 0.305 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.4 | -32.7 | -178.6 | -62.4 | -23.8 | 0 | 0 | 0 | 111.9 | I61 R62 C63 V152 | D59-I61 PolarHBondContact O-N 2.95Å; D59-R62 WeakPolarHBondContact O-CB 3.18Å; D59-R62 PolarHBondContact O-N 2.89Å; D59-R62 IonicContact OD1-CZ 2.82Å; D59-R62 IonicContact OD1-NH1 3.34Å; D59-R62 PolarHBondContact OD1-NH1 3.17Å; D59-C63 PolarHBondContact O-N 3.24Å; D59-C63 PolarHBondContact O-SG 2.8Å; D59-V152 HydrophobicContact CB-CG1 4.07Å |
| 60 | E | 96.6 | Very high | 96.2 | Very high | 132 Ų | 132 | 39.5 Ų | 39.5 | 62% | 0.617 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -64.1 | -31 | 175.9 | -53.6 | 79.7 | -173.5 | 0 | 0 | 112.5 | T58 | T58-E60 VanDerWaalsContact C-N 3.31Å; T58-E60 WeakPolarHBondContact CB-OE2 3.42Å; T58-E60 PolarHBondContact O-N 3.1Å; T58-E60 PolarHBondContact OG1-OE2 3.21Å |
| 61 | I | 97.4 | Very high | 96 | Very high | 21 Ų | 21 | 41.1 Ų | 41.1 | 11% | 0.108 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -74.3 | -43.4 | 172.6 | -67.4 | 174 | 0 | 0 | 0 | 109.6 | V29 I32 L56 T58 D59 C63 K64 V65 | V29-I61 HydrophobicContact CG2-CD1 4.09Å; I32-I61 HydrophobicContact CD1-CG2 4.21Å; I32-I61 HydrophobicContact CG2-CG2 3.74Å; L56-I61 HydrophobicContact CB-CG2 4.07Å; L56-I61 HydrophobicContact CD2-CG2 4.43Å; L56-I61 WeakPolarHBondContact O-CB 3.21Å; L56-I61 WeakPolarHBondContact O-CD1 3.22Å; L56-I61 WeakPolarHBondContact O-CG2 3.28Å; T58-I61 WeakPolarHBondContact O-CB 3.35Å; T58-I61 PolarHBondContact O-N 3.33Å; D59-I61 PolarHBondContact O-N 2.95Å; I61-C63 VanDerWaalsContact C-N 3.32Å; I61-C63 PolarHBondContact O-N 3.27Å; I61-K64 PolarHBondContact O-N 3.33Å; I61-V65 HydrophobicContact CG2-CG2 3.78Å; I61-V65 WeakPolarHBondContact O-CG2 3.38Å; I61-V65 PolarHBondContact O-N 3.48Å |
| 62 | R | 98.1 | Very high | 95.8 | Very high | 20 Ų | 20 | 38.3 Ų | 38.3 | 8% | 0.075 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.8 | -41.6 | 178.6 | -67.3 | 172.3 | -176.4 | 123.4 | -0.6 | 112.4 | L56 T58 D59 K64 V65 W66 V152 D236 | L56-R62 HydrophobicContact CB-CG 3.96Å; L56-R62 HydrophobicContact CD1-CG 4.09Å; T58-R62 WeakPolarHBondContact O-CG 3.47Å; T58-R62 PolarHBondContact O-N 2.93Å; T58-R62 VanDerWaalsContact O-N 3.09Å; D59-R62 WeakPolarHBondContact O-CB 3.18Å; D59-R62 PolarHBondContact O-N 2.89Å; D59-R62 IonicContact OD1-CZ 2.82Å; D59-R62 IonicContact OD1-NH1 3.34Å; D59-R62 PolarHBondContact OD1-NH1 3.17Å; R62-K64 PolarHBondContact O-N 3.05Å; R62-V65 PolarHBondContact O-N 3.21Å; R62-V65 VanDerWaalsContact O-N 3.12Å; R62-W66 HydrophobicContact CB-CD2 4.01Å; R62-W66 HydrophobicContact CB-CG 4.19Å; R62-W66 HydrophobicContact CB-CZ2 4.35Å; R62-W66 HydrophobicContact CG-CZ2 4.19Å; R62-W66 WeakPolarHBondContact O-CB 3.39Å; R62-W66 PolarHBondContact O-N 3.11Å; R62-V152 HydrophobicContact CB-CG1 3.77Å; R62-V152 HydrophobicContact CG-CG1 4.49Å; R62-D236 IonicContact CZ-OD2 3.97Å; R62-D236 IonicContact NE-OD1 3.16Å; R62-D236 PolarHBondContact NE-OD1 2.79Å; R62-D236 IonicContact NE-OD2 3.1Å; R62-D236 PolarHBondContact NE-OD2 2.92Å; R62-D236 IonicContact NH2-OD2 2.67Å; R62-D236 PolarHBondContact NH2-OD2 3.23Å |
| 63 | C | 96.6 | Very high | 95.4 | Very high | 46 Ų | 46 | 39.7 Ų | 39.7 | 31% | 0.311 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -52.8 | -30.1 | 172.8 | -69.7 | 0 | 0 | 0 | 0 | 113.5 | D59 I61 P67 V152 L153 | D59-C63 PolarHBondContact O-N 3.24Å; D59-C63 PolarHBondContact O-SG 2.8Å; I61-C63 VanDerWaalsContact C-N 3.32Å; I61-C63 PolarHBondContact O-N 3.27Å; C63-P67 WeakPolarHBondContact O-CG 3.46Å; C63-V152 PolarHBondContact SG-O 3.46Å; C63-V152 VanDerWaalsContact SG-O 3.34Å; C63-L153 HydrophobicContact CB-CD2 4.27Å |
| 64 | K | 96 | Very high | 95 | Very high | 133 Ų | 133 | 34.2 Ų | 34.2 | 58% | 0.578 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -94.3 | -32.4 | 179.6 | -61.4 | 177 | -174.4 | 176.5 | 0 | 112.8 | L36 I61 R62 R68 | L36-K64 HydrophobicContact CD1-CB 3.93Å; L36-K64 HydrophobicContact CD1-CD 4.25Å; L36-K64 HydrophobicContact CD2-CB 4.38Å; I61-K64 PolarHBondContact O-N 3.33Å; R62-K64 PolarHBondContact O-N 3.05Å; K64-R68 WeakPolarHBondContact O-CG 3.05Å |
| 65 | V | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -95.5 | -43.8 | -169.7 | 176.3 | 0 | 0 | 0 | 0 | 112.7 | I32 L36 L46 L56 I61 R62 P67 R68 L69 | I32-V65 HydrophobicContact CG2-CG2 3.94Å; L36-V65 HydrophobicContact CD1-CG2 4.09Å; L36-V65 HydrophobicContact CD2-CG2 4.21Å; L36-V65 HydrophobicContact CG-CG2 4.41Å; L46-V65 HydrophobicContact CB-CG1 4.01Å; L46-V65 HydrophobicContact CD1-CG1 4.26Å; L46-V65 HydrophobicContact CD1-CG2 4.5Å; L46-V65 HydrophobicContact CD2-CG1 4.32Å; L46-V65 HydrophobicContact CD2-CG2 3.98Å; L46-V65 HydrophobicContact CG-CG1 4.42Å; L56-V65 HydrophobicContact CD1-CB 3.79Å; L56-V65 HydrophobicContact CD1-CG1 3.56Å; L56-V65 HydrophobicContact CD2-CB 4.33Å; L56-V65 HydrophobicContact CD2-CG1 3.82Å; L56-V65 HydrophobicContact CD2-CG2 4.41Å; L56-V65 HydrophobicContact CG-CG1 4.36Å; I61-V65 HydrophobicContact CG2-CG2 3.78Å; I61-V65 WeakPolarHBondContact O-CG2 3.38Å; I61-V65 PolarHBondContact O-N 3.48Å; R62-V65 PolarHBondContact O-N 3.21Å; R62-V65 VanDerWaalsContact O-N 3.12Å; V65-P67 VanDerWaalsContact C-CD 3.44Å; V65-P67 VanDerWaalsContact C-N 3.32Å; V65-R68 WeakPolarHBondContact O-CA 3.04Å; V65-R68 WeakPolarHBondContact O-CB 3.49Å; V65-R68 PolarHBondContact O-N 3.22Å; V65-L69 HydrophobicContact CG1-CD1 4.11Å; V65-L69 HydrophobicContact CG1-CD2 4.37Å; V65-L69 HydrophobicContact CG1-CG 3.97Å; V65-L69 PolarHBondContact O-N 3.32Å |
| 66 | W | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.3 | -40.8 | 179.7 | -72.4 | 2.2 | 0 | 0 | 0 | 113.5 | R62 R68 L69 L70 F149 V152 L153 L161 V232 Y235 D236 L239 | R62-W66 HydrophobicContact CB-CD2 4.01Å; R62-W66 HydrophobicContact CB-CG 4.19Å; R62-W66 HydrophobicContact CB-CZ2 4.35Å; R62-W66 HydrophobicContact CG-CZ2 4.19Å; R62-W66 WeakPolarHBondContact O-CB 3.39Å; R62-W66 PolarHBondContact O-N 3.11Å; W66-R68 PolarHBondContact O-N 3.22Å; W66-L69 PolarHBondContact O-N 2.94Å; W66-L70 PolarHBondContact O-N 3.22Å; W66-F149 AromaticContact CE3-CD1 3.76Å; W66-F149 HydrophobicContact CE3-CD1 3.76Å; W66-F149 AromaticContact CE3-CE1 3.64Å; W66-F149 HydrophobicContact CE3-CE1 3.64Å; W66-F149 AromaticContact CZ3-CD1 3.66Å; W66-F149 HydrophobicContact CZ3-CD1 3.66Å; W66-F149 AromaticContact CZ3-CE1 3.8Å; W66-F149 HydrophobicContact CZ3-CE1 3.8Å; W66-F149 HydrophobicContact CZ3-CG 4.25Å; W66-F149 HydrophobicContact CZ3-CZ 4.49Å; W66-V152 HydrophobicContact CE3-CG1 4.29Å; W66-V152 HydrophobicContact CH2-CB 3.96Å; W66-V152 HydrophobicContact CH2-CG1 3.8Å; W66-V152 HydrophobicContact CH2-CG2 3.88Å; W66-V152 HydrophobicContact CZ2-CG1 4.35Å; W66-V152 HydrophobicContact CZ3-CB 3.88Å; W66-V152 HydrophobicContact CZ3-CG1 3.75Å; W66-V152 HydrophobicContact CZ3-CG2 4.29Å; W66-L153 HydrophobicContact CE3-CD1 4Å; W66-L153 HydrophobicContact CE3-CD2 4.13Å; W66-L153 HydrophobicContact CE3-CG 4.17Å; W66-L153 HydrophobicContact CZ3-CD1 4.38Å; W66-L153 HydrophobicContact CZ3-CG 4.32Å; W66-L161 HydrophobicContact CB-CD2 3.74Å; W66-V232 HydrophobicContact CH2-CG1 4.06Å; W66-V232 HydrophobicContact CZ2-CG1 3.78Å; W66-Y235 HydrophobicContact CH2-CD1 4.27Å; W66-D236 PolarHBondContact NE1-OD1 3.05Å; W66-L239 HydrophobicContact CB-CD1 4.21Å; W66-L239 HydrophobicContact CD2-CD1 3.6Å; W66-L239 HydrophobicContact CE3-CD1 4.2Å; W66-L239 HydrophobicContact CG-CD1 3.61Å; W66-L239 HydrophobicContact CZ2-CD1 4.32Å |
| 67 | P | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.3 | -32 | 175 | -22.5 | 34.1 | 0 | 0 | 0 | 112.7 | C63 V65 N71 V72 T74 L157 L161 | C63-P67 WeakPolarHBondContact O-CG 3.46Å; V65-P67 VanDerWaalsContact C-CD 3.44Å; V65-P67 VanDerWaalsContact C-N 3.32Å; P67-N71 PolarHBondContact O-N 3.43Å; P67-N71 VanDerWaalsContact O-N 3.09Å; P67-V72 HydrophobicContact CB-CB 4.5Å; P67-V72 PolarHBondContact O-N 2.92Å; P67-T74 HydrophobicContact CB-CG2 3.64Å; P67-T74 HydrophobicContact CG-CG2 4.01Å; P67-L157 HydrophobicContact CB-CD1 4.44Å; P67-L157 HydrophobicContact CG-CD1 3.87Å; P67-L157 HydrophobicContact CG-CD2 3.94Å; P67-L157 HydrophobicContact CG-CG 4.25Å; P67-L161 HydrophobicContact CB-CD1 4.17Å; P67-L161 HydrophobicContact CG-CD1 4.08Å; P67-L161 HydrophobicContact CG-CD2 4.08Å |
| 68 | R | 95.9 | Very high | 92.7 | Very high | 59 Ų | 59 | 46 Ų | 46 | 22% | 0.223 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.7 | -42 | 176.8 | -55.1 | -61.2 | 177.4 | -175.4 | -5.3 | 111.3 | L36 V41 L46 K64 V65 W66 L70 N71 | L36-R68 HydrophobicContact CD2-CG 4.39Å; V41-R68 HydrophobicContact CG1-CG 4.39Å; L46-R68 HydrophobicContact CD1-CB 4.07Å; L46-R68 HydrophobicContact CD1-CG 4.32Å; K64-R68 WeakPolarHBondContact O-CG 3.05Å; V65-R68 WeakPolarHBondContact O-CA 3.04Å; V65-R68 WeakPolarHBondContact O-CB 3.49Å; V65-R68 PolarHBondContact O-N 3.22Å; W66-R68 PolarHBondContact O-N 3.22Å; R68-L70 VanDerWaalsContact C-N 3.31Å; R68-L70 PolarHBondContact O-N 3.4Å; R68-N71 PolarHBondContact O-N 3.08Å |
| 69 | L | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 175.2 | -61.7 | -176.2 | 0 | 0 | 0 | 111.7 | L46 R47 A50 V65 W66 N71 L239 A240 | L46-L69 HydrophobicContact CB-CD2 4.34Å; R47-L69 HydrophobicContact CB-CD2 4.45Å; R47-L69 HydrophobicContact CG-CD2 3.49Å; R47-L69 VanDerWaalsContact CG-CD2 3.49Å; A50-L69 HydrophobicContact CB-CD1 4.23Å; V65-L69 HydrophobicContact CG1-CD1 4.11Å; V65-L69 HydrophobicContact CG1-CD2 4.37Å; V65-L69 HydrophobicContact CG1-CG 3.97Å; V65-L69 PolarHBondContact O-N 3.32Å; W66-L69 PolarHBondContact O-N 2.94Å; L69-N71 VanDerWaalsContact C-N 3.3Å; L69-N71 PolarHBondContact O-N 3.49Å; L69-L239 HydrophobicContact CB-CB 4.4Å; L69-L239 HydrophobicContact CD1-CB 3.98Å; L69-A240 HydrophobicContact CD1-CB 4.36Å |
| 70 | L | 94.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 0.4 | 178.3 | -71.6 | 177.2 | 0 | 0 | 0 | 114.6 | W66 R68 V72 F149 L161 K164 L165 L239 | W66-L70 PolarHBondContact O-N 3.22Å; R68-L70 VanDerWaalsContact C-N 3.31Å; R68-L70 PolarHBondContact O-N 3.4Å; L70-V72 VanDerWaalsContact C-N 3.28Å; L70-V72 HydrophobicContact CB-CG2 3.93Å; L70-V72 PolarHBondContact O-N 3.29Å; L70-F149 HydrophobicContact CD1-CE1 4.44Å; L70-L161 HydrophobicContact CD1-CB 3.9Å; L70-L161 HydrophobicContact CD1-CD2 4.17Å; L70-L161 HydrophobicContact CD1-CG 3.84Å; L70-K164 HydrophobicContact CB-CG 4.34Å; L70-K164 WeakPolarHBondContact O-CE 3.41Å; L70-K164 WeakPolarHBondContact O-CG 3.42Å; L70-L165 HydrophobicContact CD2-CD1 3.9Å; L70-L239 HydrophobicContact CD1-CD2 3.79Å; L70-L239 HydrophobicContact CD2-CD2 3.67Å; L70-L239 HydrophobicContact CG-CD2 3.78Å |
| 71 | N | 93.1 | Very high | 90.4 | Very high | 34 Ų | 34 | 52.4 Ų | 52.4 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 43.8 | -177.2 | -173.1 | 22.8 | 0 | 0 | 0 | 112.5 | P67 R68 L69 F323 V326 Q330 | P67-N71 PolarHBondContact O-N 3.43Å; P67-N71 VanDerWaalsContact O-N 3.09Å; R68-N71 PolarHBondContact O-N 3.08Å; L69-N71 VanDerWaalsContact C-N 3.3Å; L69-N71 PolarHBondContact O-N 3.49Å; N71-F323 HydrophobicContact CB-CE2 4.32Å; N71-V326 WeakPolarHBondContact ND2-CG1 3.35Å; N71-Q330 PolarHBondContact OD1-NE2 3.35Å |
| 72 | V | 92.5 | Very high | 89.7 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | trans | -99.8 | 120 | 177.2 | 179.4 | 0 | 0 | 0 | 0 | 109.5 | P67 L70 T74 L77 A160 L161 K164 | P67-V72 HydrophobicContact CB-CB 4.5Å; P67-V72 PolarHBondContact O-N 2.92Å; L70-V72 VanDerWaalsContact C-N 3.28Å; L70-V72 HydrophobicContact CB-CG2 3.93Å; L70-V72 PolarHBondContact O-N 3.29Å; V72-T74 PolarHBondContact O-N 3.15Å; V72-L77 HydrophobicContact CG1-CD2 4.49Å; V72-A160 HydrophobicContact CG1-CB 4.06Å; V72-L161 HydrophobicContact CB-CD1 4.12Å; V72-L161 HydrophobicContact CG1-CD1 4.04Å; V72-L161 HydrophobicContact CG2-CD1 4.23Å; V72-L161 HydrophobicContact CG2-CG 4.41Å; V72-K164 HydrophobicContact CG2-CB 3.73Å; V72-K164 HydrophobicContact CG2-CG 3.82Å | ||
| 73 | P | 86.5 | Confident | 89.1 | Confident | 74 Ų | 74 | 63.9 Ų | 63.9 | 48% | 0.481 | 33% | 0.326 | S | S | . | . | trans | -74.2 | 111 | 177.6 | 28.1 | -31.8 | 0 | 0 | 0 | 110.9 | D75 T76 | P73-D75 PolarHBondContact O-N 3.3Å; P73-T76 WeakPolarHBondContact CG-OG1 3.45Å; P73-T76 PolarHBondContact O-OG1 2.94Å | ||
| 74 | T | 85.6 | Confident | 88.7 | Confident | 32 Ų | 32 | 64 Ų | 64 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -70 | -30.6 | -178.4 | 50.1 | 0 | 0 | 0 | 0 | 113.7 | P67 V72 T76 L77 L157 | P67-T74 HydrophobicContact CB-CG2 3.64Å; P67-T74 HydrophobicContact CG-CG2 4.01Å; V72-T74 PolarHBondContact O-N 3.15Å; T74-T76 VanDerWaalsContact C-N 3.26Å; T74-T76 PolarHBondContact O-N 3.06Å; T74-L77 PolarHBondContact O-N 2.96Å; T74-L157 HydrophobicContact CG2-CD1 4.18Å |
| 75 | D | 83.1 | Confident | 88.2 | Confident | 126 Ų | 126 | 64.4 Ų | 64.4 | 67% | 0.674 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -75.9 | -17 | -171.5 | -54 | -13.3 | 0 | 0 | 0 | 112.8 | P73 | P73-D75 PolarHBondContact O-N 3.3Š|
| 76 | T | 82.9 | Confident | 87.8 | Confident | 91 Ų | 91 | 66.9 Ų | 66.9 | 56% | 0.558 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -103.1 | 2.7 | -178.7 | 54.4 | 0 | 0 | 0 | 0 | 112.7 | P73 T74 | P73-T76 WeakPolarHBondContact CG-OG1 3.45Å; P73-T76 PolarHBondContact O-OG1 2.94Å; T74-T76 VanDerWaalsContact C-N 3.26Å; T74-T76 PolarHBondContact O-N 3.06Å |
| 77 | L | 85.5 | Confident | 86.9 | Confident | 29 Ų | 29 | 75.4 Ų | 75.4 | 15% | 0.152 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -73.3 | 131.5 | -179.8 | -66.7 | -179.8 | 0 | 0 | 0 | 109.9 | V72 T74 R156 L157 A160 | V72-L77 HydrophobicContact CG1-CD2 4.49Å; T74-L77 PolarHBondContact O-N 2.96Å; L77-R156 VanDerWaalsContact CB-NH1 3.27Å; L77-R156 PolarHBondContact O-NH1 3.14Å; L77-L157 HydrophobicContact CD1-CD1 3.64Å; L77-A160 HydrophobicContact CD1-CB 4.08Å; L77-A160 HydrophobicContact CD2-CB 3.47Å; L77-A160 VanDerWaalsContact CD2-CB 3.47Å; L77-A160 HydrophobicContact CG-CB 4.44Å |
| 78 | P | 81.4 | Confident | 86.2 | Confident | 69 Ų | 69 | 81.4 Ų | 81.4 | 45% | 0.448 | 41% | 0.408 | S | S | . | . | trans | -59.6 | 144.7 | 178.7 | 26.8 | -34.4 | 0 | 0 | 0 | 110.1 | K80 R156 | P78-K80 VanDerWaalsContact C-N 3.31Å; P78-K80 PolarHBondContact O-N 3.35Å; P78-R156 WeakPolarHBondContact O-CD 3.35Å; P78-R156 WeakPolarHBondContact O-CG 3.44Å | ||
| 79 | E | 79.3 | Confident | 85.8 | Confident | 193 Ų | 193 | 80 Ų | 80 | 90% | 0.902 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -62.3 | -36.9 | -176.9 | -71.6 | -174.6 | 167.8 | 0 | 0 | 112.9 | R156 | E79-R156 WeakPolarHBondContact O-CD 3.38Š|
| 80 | K | 79.8 | Confident | 85.6 | Confident | 140 Ų | 140 | 87 Ų | 87 | 61% | 0.609 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -118.6 | 139.3 | 175.9 | -166.6 | -173.8 | 174.6 | -164.5 | 0 | 109.7 | P78 E83 | P78-K80 VanDerWaalsContact C-N 3.31Å; P78-K80 PolarHBondContact O-N 3.35Å; K80-E83 IonicContact NZ-OE1 2.83Å; K80-E83 PolarHBondContact NZ-OE1 3.49Å |
| 81 | P | 81.3 | Confident | 85.6 | Confident | 23 Ų | 23 | 88.5 Ų | 88.5 | 15% | 0.149 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 147.6 | 167.6 | -22.1 | 33.4 | 0 | 0 | 0 | 111.5 | E155 R156 | P81-E155 HydrophobicContact CG-CG 4.36Å; P81-R156 HydrophobicContact CG-CB 4.5Å |
| 82 | E | 83.5 | Confident | 85.7 | Confident | 113 Ų | 113 | 89.1 Ų | 89.1 | 53% | 0.528 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 143.7 | 173.3 | -70.3 | 166.7 | 173 | 0 | 0 | 110.3 | R128 R132 | E82-R128 PolarHBondContact O-NE 2.95Å; E82-R132 IonicContact OE1-NH2 3.67Å; E82-R132 IonicContact OE2-CZ 3.77Å; E82-R132 IonicContact OE2-NE 3.65Å; E82-R132 PolarHBondContact OE2-NE 2.86Å; E82-R132 IonicContact OE2-NH2 2.81Å; E82-R132 PolarHBondContact OE2-NH2 3.3Å |
| 83 | E | 84.9 | Confident | 85.8 | Confident | 169 Ų | 169 | 94.1 Ų | 94.1 | 79% | 0.79 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 144.2 | 173.9 | -69.2 | -178.9 | -179 | 0 | 0 | 110 | K80 | K80-E83 IonicContact NZ-OE1 2.83Å; K80-E83 PolarHBondContact NZ-OE1 3.49Å |
| 84 | I | 87.5 | Confident | 86.3 | Confident | 48 Ų | 48 | 94.2 Ų | 94.2 | 25% | 0.246 | 46% | 0.464 | C | S | . | . | trans | -122.1 | 134 | -175.8 | -46.9 | 173.9 | 0 | 0 | 0 | 109.5 | R86 D124 L127 R128 | I84-R86 PolarHBondContact O-N 2.97Å; I84-D124 HydrophobicContact CD1-CB 3.98Å; I84-D124 WeakPolarHBondContact CD1-O 3.37Å; I84-L127 HydrophobicContact CD1-CB 4.2Å; I84-L127 HydrophobicContact CG2-CB 4.22Å; I84-R128 HydrophobicContact CD1-CB 3.7Å; I84-R128 HydrophobicContact CD1-CG 3.39Å; I84-R128 HydrophobicContact CG1-CB 4.47Å; I84-R128 HydrophobicContact CG1-CG 3.7Å | ||
| 85 | E | 86.2 | Confident | 86.8 | Confident | 141 Ų | 141 | 92.7 Ų | 92.7 | 66% | 0.659 | 45% | 0.454 | S | S | * | . | trans | -83.8 | 89.1 | 166.4 | -65.5 | -179 | 174 | 0 | 0 | 109.6 | E87 N88 | E85-E87 VanDerWaalsContact C-N 3.31Å; E85-E87 PolarHBondContact O-N 3.22Å; E85-N88 HydrophobicContact CB-CB 4.3Å; E85-N88 PolarHBondContact O-N 2.97Å; E85-N88 PolarHBondContact OE2-ND2 2.82Å | ||
| 86 | R | 88.6 | Confident | 87.4 | Confident | 53 Ų | 53 | 88.6 Ų | 88.6 | 20% | 0.2 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -56.8 | -43 | -175.8 | -61.8 | -176 | 178.7 | 175.4 | -1.7 | 113.1 | I84 N88 N89 Y92 E120 D124 L127 | I84-R86 PolarHBondContact O-N 2.97Å; R86-N88 PolarHBondContact O-N 3.43Å; R86-N89 WeakPolarHBondContact O-CB 3.49Å; R86-N89 PolarHBondContact O-N 3Å; R86-Y92 HydrophobicContact CB-CD2 4.02Å; R86-Y92 HydrophobicContact CB-CE2 3.97Å; R86-Y92 HydrophobicContact CB-CG 4.31Å; R86-Y92 HydrophobicContact CG-CE2 4.42Å; R86-Y92 WeakPolarHBondContact O-CB 3.37Å; R86-E120 IonicContact CZ-OE2 3.18Å; R86-E120 IonicContact NH1-OE2 2.62Å; R86-E120 PolarHBondContact NH1-OE2 3.46Å; R86-E120 IonicContact NH2-OE2 2.86Å; R86-E120 PolarHBondContact NH2-OE2 3.3Å; R86-D124 IonicContact CZ-OD1 3.25Å; R86-D124 VanDerWaalsContact CZ-OD1 3.25Å; R86-D124 IonicContact CZ-OD2 3.81Å; R86-D124 IonicContact NE-OD1 2.69Å; R86-D124 PolarHBondContact NE-OD1 2.71Å; R86-D124 IonicContact NE-OD2 3.93Å; R86-D124 IonicContact NH2-OD1 3.08Å; R86-D124 PolarHBondContact NH2-OD1 3.06Å; R86-D124 VanDerWaalsContact NH2-OD1 3.08Å; R86-D124 IonicContact NH2-OD2 2.89Å; R86-D124 PolarHBondContact NH2-OD2 3.17Å; R86-L127 HydrophobicContact CB-CD1 4.07Å; R86-L127 HydrophobicContact CG-CD1 3.88Å |
| 87 | E | 80.3 | Confident | 88 | Confident | 178 Ų | 178 | 88 Ų | 88 | 83% | 0.832 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -65.7 | -23 | -174.4 | -62.3 | -178.6 | 173.6 | 0 | 0 | 113.3 | E85 N89 | E85-E87 VanDerWaalsContact C-N 3.31Å; E85-E87 PolarHBondContact O-N 3.22Å; E87-N89 VanDerWaalsContact C-N 3.33Å |
| 88 | N | 82.8 | Confident | 88.5 | Confident | 127 Ų | 127 | 86.7 Ų | 86.7 | 68% | 0.679 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -86.2 | -5.2 | 177.6 | -72.2 | -21.8 | 0 | 0 | 0 | 112.9 | E85 R86 | E85-N88 HydrophobicContact CB-CB 4.3Å; E85-N88 PolarHBondContact O-N 2.97Å; E85-N88 PolarHBondContact OE2-ND2 2.82Å; R86-N88 PolarHBondContact O-N 3.43Å |
| 89 | N | 87.4 | Confident | 89.2 | Confident | 30 Ų | 30 | 83.4 Ų | 83.4 | 16% | 0.16 | 40% | 0.397 | C | S | . | . | trans | -89.7 | 122.2 | 179.4 | -168.3 | -48.7 | 0 | 0 | 0 | 111.2 | R86 E87 D91 Y92 L127 | R86-N89 WeakPolarHBondContact O-CB 3.49Å; R86-N89 PolarHBondContact O-N 3Å; E87-N89 VanDerWaalsContact C-N 3.33Å; N89-D91 PolarHBondContact O-N 2.89Å; N89-D91 VanDerWaalsContact O-N 3.11Å; N89-D91 PolarHBondContact OD1-N 3.14Å; N89-Y92 WeakPolarHBondContact O-CB 3.45Å; N89-Y92 PolarHBondContact O-N 3.28Å; N89-Y92 VanDerWaalsContact O-N 3.14Å; N89-L127 HydrophobicContact CB-CD2 4.07Å | ||
| 90 | K | 91.3 | Very high | 89.7 | Confident | 147 Ų | 147 | 79.2 Ų | 79.2 | 64% | 0.639 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -29.1 | 179.7 | 69.6 | -179.5 | -175.8 | 179 | 0 | 113.8 | ||
| 91 | D | 93.2 | Very high | 90.2 | Very high | 30 Ų | 30 | 79.4 Ų | 79.4 | 16% | 0.16 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -6.7 | -173.9 | -59.9 | -56.2 | 0 | 0 | 0 | 112.5 | N89 N93 Q94 V95 L130 | N89-D91 PolarHBondContact O-N 2.89Å; N89-D91 VanDerWaalsContact O-N 3.11Å; N89-D91 PolarHBondContact OD1-N 3.14Å; D91-N93 PolarHBondContact O-N 3.13Å; D91-Q94 PolarHBondContact O-N 2.89Å; D91-Q94 VanDerWaalsContact O-N 3.11Å; D91-V95 HydrophobicContact CB-CG2 4.34Å; D91-V95 WeakPolarHBondContact O-CG2 3.4Å; D91-V95 PolarHBondContact O-N 3.4Å; D91-L130 HydrophobicContact CB-CD1 4.09Å |
| 92 | Y | 95.6 | Very high | 90.4 | Very high | 48 Ų | 48 | 78.6 Ų | 78.6 | 19% | 0.188 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -52.9 | -50.5 | -172.4 | 172.5 | -125.1 | 0 | 0 | 0 | 113.9 | R86 N89 Q94 V95 L96 I123 L127 | R86-Y92 HydrophobicContact CB-CD2 4.02Å; R86-Y92 HydrophobicContact CB-CE2 3.97Å; R86-Y92 HydrophobicContact CB-CG 4.31Å; R86-Y92 HydrophobicContact CG-CE2 4.42Å; R86-Y92 WeakPolarHBondContact O-CB 3.37Å; N89-Y92 WeakPolarHBondContact O-CB 3.45Å; N89-Y92 PolarHBondContact O-N 3.28Å; N89-Y92 VanDerWaalsContact O-N 3.14Å; Y92-Q94 VanDerWaalsContact C-N 3.3Å; Y92-Q94 PolarHBondContact O-N 2.87Å; Y92-V95 PolarHBondContact O-N 3.38Å; Y92-L96 HydrophobicContact CE2-CB 4.49Å; Y92-L96 WeakPolarHBondContact O-CB 3.41Å; Y92-L96 PolarHBondContact O-N 3.02Å; Y92-I123 HydrophobicContact CD2-CG2 4.16Å; Y92-I123 HydrophobicContact CE2-CG2 3.97Å; Y92-L127 HydrophobicContact CD2-CD1 3.77Å |
| 93 | N | 95.3 | Very high | 90.3 | Very high | 115 Ų | 115 | 77.3 Ų | 77.3 | 62% | 0.615 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.8 | -39.5 | -178.1 | -70.8 | -39.9 | 0 | 0 | 0 | 112.1 | D91 L97 | D91-N93 PolarHBondContact O-N 3.13Å; N93-L97 VanDerWaalsContact O-CG 3.31Å; N93-L97 WeakPolarHBondContact O-CG 3.47Å; N93-L97 PolarHBondContact O-N 3.18Å; N93-L97 VanDerWaalsContact O-N 3.15Å |
| 94 | Q | 95.9 | Very high | 90.3 | Very high | 76 Ų | 76 | 79.1 Ų | 79.1 | 36% | 0.355 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.1 | -44.6 | 178.8 | -178.3 | 60.5 | 49.2 | 0 | 0 | 110.8 | D91 Y92 L96 L97 D98 Y138 | D91-Q94 PolarHBondContact O-N 2.89Å; D91-Q94 VanDerWaalsContact O-N 3.11Å; Y92-Q94 VanDerWaalsContact C-N 3.3Å; Y92-Q94 PolarHBondContact O-N 2.87Å; Q94-L96 PolarHBondContact O-N 3.34Å; Q94-L97 PolarHBondContact O-N 3.43Å; Q94-D98 PolarHBondContact NE2-OD1 3.36Å; Q94-D98 PolarHBondContact NE2-OD2 3.36Å; Q94-D98 VanDerWaalsContact NE2-OD2 3.08Å; Q94-D98 WeakPolarHBondContact O-CB 3.47Å; Q94-D98 PolarHBondContact O-N 2.92Å; Q94-Y138 HydrophobicContact CG-CD1 3.93Å; Q94-Y138 HydrophobicContact CG-CE1 3.7Å |
| 95 | V | 96.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.7 | -46 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | D91 Y92 L97 D98 V99 I123 I126 L127 Y138 | D91-V95 HydrophobicContact CB-CG2 4.34Å; D91-V95 WeakPolarHBondContact O-CG2 3.4Å; D91-V95 PolarHBondContact O-N 3.4Å; Y92-V95 PolarHBondContact O-N 3.38Å; V95-L97 PolarHBondContact O-N 3.35Å; V95-D98 PolarHBondContact O-N 3.37Å; V95-V99 HydrophobicContact CG1-CG2 4.24Å; V95-V99 WeakPolarHBondContact O-CB 3.14Å; V95-V99 WeakPolarHBondContact O-CG2 3.29Å; V95-V99 PolarHBondContact O-N 3.35Å; V95-I123 HydrophobicContact CG1-CB 4.47Å; V95-I123 HydrophobicContact CG1-CG1 4.26Å; V95-I123 HydrophobicContact CG1-CG2 4.35Å; V95-I126 HydrophobicContact CB-CG2 4.49Å; V95-I126 HydrophobicContact CG1-CB 4.1Å; V95-I126 HydrophobicContact CG1-CD1 3.83Å; V95-I126 HydrophobicContact CG1-CG2 3.95Å; V95-I126 HydrophobicContact CG2-CG2 3.63Å; V95-L127 HydrophobicContact CB-CD2 4.48Å; V95-L127 HydrophobicContact CG2-CD2 4.19Å; V95-Y138 HydrophobicContact CG2-CD1 4.41Å; V95-Y138 HydrophobicContact CG2-CD2 3.79Å; V95-Y138 HydrophobicContact CG2-CE1 4.39Å; V95-Y138 HydrophobicContact CG2-CE2 3.75Å; V95-Y138 HydrophobicContact CG2-CG 4.12Å |
| 96 | L | 95.8 | Very high | 90.3 | Very high | 40 Ų | 40 | 71.7 Ų | 71.7 | 21% | 0.209 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.2 | -48.9 | 177.9 | 178 | 63.8 | 0 | 0 | 0 | 111.6 | Y92 Q94 D98 V99 Q100 I123 | Y92-L96 HydrophobicContact CE2-CB 4.49Å; Y92-L96 WeakPolarHBondContact O-CB 3.41Å; Y92-L96 PolarHBondContact O-N 3.02Å; Q94-L96 PolarHBondContact O-N 3.34Å; L96-D98 VanDerWaalsContact C-N 3.32Å; L96-D98 PolarHBondContact O-N 3.03Å; L96-V99 PolarHBondContact O-N 3.19Å; L96-Q100 HydrophobicContact CD1-CG 4.48Å; L96-Q100 WeakPolarHBondContact O-CB 3.36Å; L96-Q100 VanDerWaalsContact O-CG 3.28Å; L96-Q100 WeakPolarHBondContact O-CG 3.49Å; L96-Q100 PolarHBondContact O-N 3.2Å; L96-I123 HydrophobicContact CD1-CD1 3.68Å |
| 97 | L | 95.8 | Very high | 90.2 | Very high | 78 Ų | 78 | 72 Ų | 72 | 41% | 0.408 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 179.1 | -73.2 | 172.7 | 0 | 0 | 0 | 112.4 | N93 Q94 V95 R101 | N93-L97 VanDerWaalsContact O-CG 3.31Å; N93-L97 WeakPolarHBondContact O-CG 3.47Å; N93-L97 PolarHBondContact O-N 3.18Å; N93-L97 VanDerWaalsContact O-N 3.15Å; Q94-L97 PolarHBondContact O-N 3.43Å; V95-L97 PolarHBondContact O-N 3.35Å; L97-R101 WeakPolarHBondContact O-CG 3.27Å; L97-R101 PolarHBondContact O-N 3.22Å; L97-R101 PolarHBondContact O-NE 3.11Å |
| 98 | D | 96 | Very high | 90.4 | Very high | 2 Ų | 2 | 70.1 Ų | 70.1 | 1% | 0.011 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69 | -44.8 | 178.5 | -79.5 | -24.8 | 0 | 0 | 0 | 112.3 | Q94 V95 L96 Q100 R101 S102 Y138 | Q94-D98 PolarHBondContact NE2-OD1 3.36Å; Q94-D98 PolarHBondContact NE2-OD2 3.36Å; Q94-D98 VanDerWaalsContact NE2-OD2 3.08Å; Q94-D98 WeakPolarHBondContact O-CB 3.47Å; Q94-D98 PolarHBondContact O-N 2.92Å; V95-D98 PolarHBondContact O-N 3.37Å; L96-D98 VanDerWaalsContact C-N 3.32Å; L96-D98 PolarHBondContact O-N 3.03Å; D98-Q100 VanDerWaalsContact C-N 3.3Å; D98-Q100 PolarHBondContact O-N 2.93Å; D98-R101 PolarHBondContact O-N 3.4Å; D98-R101 IonicContact OD1-CZ 2.64Å; D98-R101 IonicContact OD1-NE 3.32Å; D98-R101 IonicContact OD1-NH2 3.67Å; D98-R101 PolarHBondContact OD1-NH2 3.27Å; D98-S102 PolarHBondContact O-N 2.94Å; D98-Y138 WeakPolarHBondContact CB-OH 3.16Å; D98-Y138 WeakPolarHBondContact OD2-CE1 3.32Å; D98-Y138 PolarHBondContact OD2-OH 3.01Å |
| 99 | V | 94.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 177 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | V95 L96 R101 S102 Q119 L122 I123 I126 H143 | V95-V99 HydrophobicContact CG1-CG2 4.24Å; V95-V99 WeakPolarHBondContact O-CB 3.14Å; V95-V99 WeakPolarHBondContact O-CG2 3.29Å; V95-V99 PolarHBondContact O-N 3.35Å; L96-V99 PolarHBondContact O-N 3.19Å; V99-R101 VanDerWaalsContact C-N 3.26Å; V99-R101 PolarHBondContact O-N 3Å; V99-S102 PolarHBondContact O-N 3.39Å; V99-S102 PolarHBondContact O-OG 3.43Å; V99-Q119 HydrophobicContact CG1-CB 3.7Å; V99-Q119 HydrophobicContact CG1-CG 3.79Å; V99-Q119 PolarHBondContact O-NE2 3.05Å; V99-L122 HydrophobicContact CB-CD2 4.38Å; V99-L122 HydrophobicContact CG1-CD2 3.95Å; V99-L122 HydrophobicContact CG2-CD2 3.69Å; V99-L122 HydrophobicContact CG2-CG 3.82Å; V99-I123 HydrophobicContact CB-CD1 4.5Å; V99-I123 HydrophobicContact CB-CG1 4.1Å; V99-I123 HydrophobicContact CG1-CD1 4.33Å; V99-I123 HydrophobicContact CG1-CG1 4.14Å; V99-I123 HydrophobicContact CG2-CG1 3.9Å; V99-I126 HydrophobicContact CG2-CD1 4.46Å; V99-H143 HydrophobicContact CG2-CB 4.36Å |
| 100 | Q | 91.4 | Very high | 90.8 | Very high | 105 Ų | 105 | 68.1 Ų | 68.1 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.5 | -30.5 | 174.7 | -74.6 | 175.9 | -4 | 0 | 0 | 113 | L96 D98 | L96-Q100 HydrophobicContact CD1-CG 4.48Å; L96-Q100 WeakPolarHBondContact O-CB 3.36Å; L96-Q100 VanDerWaalsContact O-CG 3.28Å; L96-Q100 WeakPolarHBondContact O-CG 3.49Å; L96-Q100 PolarHBondContact O-N 3.2Å; D98-Q100 VanDerWaalsContact C-N 3.3Å; D98-Q100 PolarHBondContact O-N 2.93Å |
| 101 | R | 89.8 | Confident | 90.9 | Very high | 143 Ų | 143 | 64.8 Ų | 64.8 | 54% | 0.54 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -80.1 | -15 | 176.6 | -71.9 | -174.9 | -73 | -107 | 6.6 | 113.8 | L97 D98 V99 L103 | L97-R101 WeakPolarHBondContact O-CG 3.27Å; L97-R101 PolarHBondContact O-N 3.22Å; L97-R101 PolarHBondContact O-NE 3.11Å; D98-R101 PolarHBondContact O-N 3.4Å; D98-R101 IonicContact OD1-CZ 2.64Å; D98-R101 IonicContact OD1-NE 3.32Å; D98-R101 IonicContact OD1-NH2 3.67Å; D98-R101 PolarHBondContact OD1-NH2 3.27Å; V99-R101 VanDerWaalsContact C-N 3.26Å; V99-R101 PolarHBondContact O-N 3Å; R101-L103 VanDerWaalsContact C-N 3.29Å; R101-L103 PolarHBondContact O-N 3.24Å |
| 102 | S | 84.8 | Confident | 90.9 | Very high | 7 Ų | 7 | 68.1 Ų | 68.1 | 5% | 0.049 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 14 | -173.6 | 73 | 0 | 0 | 0 | 0 | 115.6 | D98 V99 K104 R105 | D98-S102 PolarHBondContact O-N 2.94Å; V99-S102 PolarHBondContact O-N 3.39Å; V99-S102 PolarHBondContact O-OG 3.43Å; S102-K104 PolarHBondContact O-N 2.92Å; S102-R105 VanDerWaalsContact O-CB 3.31Å; S102-R105 WeakPolarHBondContact O-CB 3.36Å; S102-R105 WeakPolarHBondContact O-CG 3.43Å; S102-R105 PolarHBondContact O-N 3.46Å |
| 103 | L | 82.4 | Confident | 90.8 | Very high | 86 Ų | 86 | 74.4 Ų | 74.4 | 45% | 0.45 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -51.4 | -34.6 | -174.9 | -67.5 | 174.6 | 0 | 0 | 0 | 114.5 | R101 R105 F106 | R101-L103 VanDerWaalsContact C-N 3.29Å; R101-L103 PolarHBondContact O-N 3.24Å; L103-R105 PolarHBondContact O-N 3.49Å; L103-F106 PolarHBondContact O-N 3.21Å |
| 104 | K | 84.1 | Confident | 90.7 | Very high | 207 Ų | 207 | 74 Ų | 74 | 90% | 0.9 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -65.2 | -15.7 | 179.8 | -65.7 | -178.1 | 179.5 | 178.2 | 0 | 113.9 | S102 | S102-K104 PolarHBondContact O-N 2.92Š|
| 105 | R | 85.9 | Confident | 90.6 | Very high | 21 Ų | 21 | 72.6 Ų | 72.6 | 8% | 0.079 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -81.1 | -20.1 | -179.9 | -60.8 | -57.8 | -58.6 | 148 | 0.2 | 113 | S102 L103 D144 V147 L151 G222 L225 | S102-R105 VanDerWaalsContact O-CB 3.31Å; S102-R105 WeakPolarHBondContact O-CB 3.36Å; S102-R105 WeakPolarHBondContact O-CG 3.43Å; S102-R105 PolarHBondContact O-N 3.46Å; L103-R105 PolarHBondContact O-N 3.49Å; R105-D144 WeakPolarHBondContact CG-OD1 3.31Å; R105-D144 IonicContact NE-OD1 3.74Å; R105-V147 HydrophobicContact CB-CG1 4.1Å; R105-V147 HydrophobicContact CG-CG1 4.34Å; R105-L151 WeakPolarHBondContact O-CD1 3.46Å; R105-G222 PolarHBondContact NE-O 3.27Å; R105-G222 PolarHBondContact NH1-O 3.3Å; R105-L225 PolarHBondContact NH1-O 2.9Å |
| 106 | F | 88.2 | Confident | 90.5 | Very high | 12 Ų | 12 | 77.5 Ų | 77.5 | 5% | 0.053 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -81.9 | 142.8 | 178 | -65.3 | -87.4 | 0 | 0 | 0 | 110.6 | L103 M110 R115 L118 Q119 V147 L151 | L103-F106 PolarHBondContact O-N 3.21Å; F106-M110 HydrophobicContact CB-SD 4.28Å; F106-M110 HydrophobicContact CD1-SD 3.87Å; F106-M110 HydrophobicContact CG-SD 4.47Å; F106-R115 HydrophobicContact CB-CG 4.41Å; F106-R115 HydrophobicContact CD1-CG 4.18Å; F106-R115 HydrophobicContact CD2-CG 4.13Å; F106-R115 HydrophobicContact CE2-CG 4.49Å; F106-R115 HydrophobicContact CG-CG 3.96Å; F106-L118 HydrophobicContact CD1-CD1 4.21Å; F106-L118 HydrophobicContact CE1-CB 3.71Å; F106-L118 HydrophobicContact CE1-CD1 4.05Å; F106-L118 HydrophobicContact CZ-CB 4.45Å; F106-Q119 HydrophobicContact CE2-CG 3.96Å; F106-Q119 HydrophobicContact CZ-CG 3.78Å; F106-V147 HydrophobicContact CE1-CG2 4.04Å; F106-V147 HydrophobicContact CE2-CG2 4.3Å; F106-V147 HydrophobicContact CZ-CG2 3.76Å; F106-L151 HydrophobicContact CD1-CD2 4.12Å; F106-L151 HydrophobicContact CE1-CD2 4.38Å |
| 107 | P | 86.8 | Confident | 90.5 | Very high | 60 Ų | 60 | 77 Ų | 77 | 39% | 0.39 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 135.1 | 178 | -28.7 | 34.1 | 0 | 0 | 0 | 112.9 | G109 M110 | P107-G109 PolarHBondContact O-N 2.81Å; P107-M110 HydrophobicContact CG-CE 4.13Å; P107-M110 WeakPolarHBondContact O-CB 3.47Å; P107-M110 PolarHBondContact O-N 2.96Å; P107-M110 VanDerWaalsContact O-N 3.16Å |
| 108 | P | 84.6 | Confident | 90.5 | Very high | 137 Ų | 137 | 74.5 Ų | 74.5 | 89% | 0.89 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 130.2 | 177.7 | 26.1 | -33.4 | 0 | 0 | 0 | 110 | ||
| 109 | G | 86.6 | Confident | 90.5 | Very high | 81 Ų | 81 | 75.2 Ų | 75.2 | 84% | 0.835 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.2 | 3.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | P107 | P107-G109 PolarHBondContact O-N 2.81Š|
| 110 | M | 91.2 | Very high | 90.5 | Very high | 35 Ų | 35 | 79.1 Ų | 79.1 | 17% | 0.172 | 42% | 0.415 | C | S | . | . | trans | -60.7 | 131.1 | 168.2 | -179.4 | 174.8 | -78.4 | 0 | 0 | 110.6 | F106 P107 Q114 R115 L118 L151 | F106-M110 HydrophobicContact CB-SD 4.28Å; F106-M110 HydrophobicContact CD1-SD 3.87Å; F106-M110 HydrophobicContact CG-SD 4.47Å; P107-M110 HydrophobicContact CG-CE 4.13Å; P107-M110 WeakPolarHBondContact O-CB 3.47Å; P107-M110 PolarHBondContact O-N 2.96Å; P107-M110 VanDerWaalsContact O-N 3.16Å; M110-Q114 HydrophobicContact CG-CB 4.24Å; M110-Q114 HydrophobicContact CG-CG 4.24Å; M110-Q114 HydrophobicContact SD-CG 4.32Å; M110-R115 HydrophobicContact CG-CB 4.16Å; M110-R115 HydrophobicContact SD-CB 3.88Å; M110-L118 HydrophobicContact CE-CD1 3.74Å; M110-L118 HydrophobicContact SD-CD1 3.77Å; M110-L151 HydrophobicContact CE-CD2 4.39Å | ||
| 111 | P | 94.5 | Very high | 90.7 | Very high | 77 Ų | 77 | 77.2 Ų | 77.2 | 50% | 0.5 | 41% | 0.406 | S | S | . | . | trans | -59.1 | 138.8 | 175.9 | -23.5 | 33.4 | 0 | 0 | 0 | 112.2 | K113 Q114 R115 | P111-K113 VanDerWaalsContact C-N 3.3Å; P111-K113 PolarHBondContact O-N 2.8Å; P111-Q114 HydrophobicContact CB-CB 4.35Å; P111-Q114 WeakPolarHBondContact O-CB 3.27Å; P111-Q114 PolarHBondContact O-N 3.12Å; P111-R115 PolarHBondContact O-N 3Å | ||
| 112 | D | 92.3 | Very high | 91.1 | Very high | 100 Ų | 100 | 70.4 Ų | 70.4 | 54% | 0.535 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -55.2 | -43.6 | -176.7 | -71.3 | -35.2 | 0 | 0 | 0 | 112.9 | Q114 R115 E116 | D112-Q114 VanDerWaalsContact C-N 3.29Å; D112-Q114 PolarHBondContact O-N 3.03Å; D112-R115 WeakPolarHBondContact O-CB 3.5Å; D112-R115 PolarHBondContact O-N 2.94Å; D112-R115 VanDerWaalsContact O-N 3.17Å; D112-R115 IonicContact OD1-CZ 3.55Å; D112-R115 IonicContact OD1-NE 3.53Å; D112-R115 IonicContact OD1-NH2 2.73Å; D112-R115 PolarHBondContact OD1-NH2 2.97Å; D112-E116 WeakPolarHBondContact O-CB 3.42Å; D112-E116 VanDerWaalsContact O-CG 3.29Å; D112-E116 WeakPolarHBondContact O-CG 3.45Å; D112-E116 PolarHBondContact O-N 3.42Å |
| 113 | K | 93.8 | Very high | 91.6 | Very high | 179 Ų | 179 | 70.2 Ų | 70.2 | 78% | 0.778 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.3 | -36.9 | 177.9 | -172.1 | 177.8 | -178.7 | -179.4 | 0 | 113 | P111 G117 | P111-K113 VanDerWaalsContact C-N 3.3Å; P111-K113 PolarHBondContact O-N 2.8Å; K113-G117 PolarHBondContact O-N 3.14Å; K113-G117 VanDerWaalsContact O-N 3.14Å |
| 114 | Q | 93.8 | Very high | 92.3 | Very high | 108 Ų | 108 | 67.5 Ų | 67.5 | 51% | 0.505 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70.8 | -43.5 | 176.7 | -179.5 | -179.3 | -3.9 | 0 | 0 | 110.3 | M110 P111 D112 G117 L118 | M110-Q114 HydrophobicContact CG-CB 4.24Å; M110-Q114 HydrophobicContact CG-CG 4.24Å; M110-Q114 HydrophobicContact SD-CG 4.32Å; P111-Q114 HydrophobicContact CB-CB 4.35Å; P111-Q114 WeakPolarHBondContact O-CB 3.27Å; P111-Q114 PolarHBondContact O-N 3.12Å; D112-Q114 VanDerWaalsContact C-N 3.29Å; D112-Q114 PolarHBondContact O-N 3.03Å; Q114-G117 PolarHBondContact O-N 2.88Å; Q114-L118 PolarHBondContact O-N 3.42Å |
| 115 | R | 94.2 | Very high | 92.9 | Very high | 46 Ų | 46 | 57.6 Ų | 57.6 | 17% | 0.174 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61 | -47.2 | 177 | 177.8 | 178.2 | 56.2 | 74 | -2.2 | 111.6 | F106 M110 P111 D112 G117 L118 Q119 | F106-R115 HydrophobicContact CB-CG 4.41Å; F106-R115 HydrophobicContact CD1-CG 4.18Å; F106-R115 HydrophobicContact CD2-CG 4.13Å; F106-R115 HydrophobicContact CE2-CG 4.49Å; F106-R115 HydrophobicContact CG-CG 3.96Å; M110-R115 HydrophobicContact CG-CB 4.16Å; M110-R115 HydrophobicContact SD-CB 3.88Å; P111-R115 PolarHBondContact O-N 3Å; D112-R115 WeakPolarHBondContact O-CB 3.5Å; D112-R115 PolarHBondContact O-N 2.94Å; D112-R115 VanDerWaalsContact O-N 3.17Å; D112-R115 IonicContact OD1-CZ 3.55Å; D112-R115 IonicContact OD1-NE 3.53Å; D112-R115 IonicContact OD1-NH2 2.73Å; D112-R115 PolarHBondContact OD1-NH2 2.97Å; R115-G117 VanDerWaalsContact C-N 3.32Å; R115-G117 PolarHBondContact O-N 3.25Å; R115-L118 PolarHBondContact O-N 3.06Å; R115-Q119 WeakPolarHBondContact O-CG 3.41Å; R115-Q119 PolarHBondContact O-N 3.34Å |
| 116 | E | 94.1 | Very high | 93.5 | Very high | 102 Ų | 102 | 56.6 Ų | 56.6 | 48% | 0.477 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58 | -45 | 175.9 | -74.2 | 168.1 | -175.1 | 0 | 0 | 110.7 | D112 L118 Q119 E120 | D112-E116 WeakPolarHBondContact O-CB 3.42Å; D112-E116 VanDerWaalsContact O-CG 3.29Å; D112-E116 WeakPolarHBondContact O-CG 3.45Å; D112-E116 PolarHBondContact O-N 3.42Å; E116-L118 PolarHBondContact O-N 3.18Å; E116-Q119 WeakPolarHBondContact O-CB 3.4Å; E116-Q119 PolarHBondContact O-N 3.05Å; E116-Q119 VanDerWaalsContact O-N 3.11Å; E116-E120 WeakPolarHBondContact O-CG 3.38Å; E116-E120 PolarHBondContact O-N 2.89Å |
| 117 | G | 95 | Very high | 93.9 | Very high | 29 Ų | 29 | 56.1 Ų | 56.1 | 30% | 0.299 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -55.8 | -47 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K113 Q114 R115 Q119 E120 E121 | K113-G117 PolarHBondContact O-N 3.14Å; K113-G117 VanDerWaalsContact O-N 3.14Å; Q114-G117 PolarHBondContact O-N 2.88Å; R115-G117 VanDerWaalsContact C-N 3.32Å; R115-G117 PolarHBondContact O-N 3.25Å; G117-Q119 VanDerWaalsContact C-N 3.32Å; G117-Q119 PolarHBondContact O-N 3.21Å; G117-E120 WeakPolarHBondContact O-CB 3.34Å; G117-E120 PolarHBondContact O-N 3.44Å; G117-E121 WeakPolarHBondContact O-CG 3.33Å; G117-E121 PolarHBondContact O-N 3.14Å |
| 118 | L | 95.6 | Very high | 94.3 | Very high | 26 Ų | 26 | 54.2 Ų | 54.2 | 14% | 0.136 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.9 | -31.3 | 176.3 | -68.3 | 171.1 | 0 | 0 | 0 | 113 | F106 M110 Q114 R115 E116 L122 L150 L151 | F106-L118 HydrophobicContact CD1-CD1 4.21Å; F106-L118 HydrophobicContact CE1-CB 3.71Å; F106-L118 HydrophobicContact CE1-CD1 4.05Å; F106-L118 HydrophobicContact CZ-CB 4.45Å; M110-L118 HydrophobicContact CE-CD1 3.74Å; M110-L118 HydrophobicContact SD-CD1 3.77Å; Q114-L118 PolarHBondContact O-N 3.42Å; R115-L118 PolarHBondContact O-N 3.06Å; E116-L118 PolarHBondContact O-N 3.18Å; L118-L122 WeakPolarHBondContact O-CB 3.19Å; L118-L122 PolarHBondContact O-N 3.27Å; L118-L150 HydrophobicContact CB-CD2 4.33Å; L118-L150 HydrophobicContact CD2-CD1 4.32Å; L118-L150 HydrophobicContact CD2-CD2 4.19Å; L118-L150 HydrophobicContact CD2-CG 4.05Å; L118-L150 VanDerWaalsContact O-CD2 3.23Å; L118-L150 WeakPolarHBondContact O-CD2 3.38Å; L118-L151 HydrophobicContact CD1-CD2 4.08Å |
| 119 | Q | 96.1 | Very high | 94.8 | Very high | 17 Ų | 17 | 47.7 Ų | 47.7 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 174.4 | -73.6 | -179.6 | -68.2 | 0 | 0 | 111.2 | V99 F106 R115 E116 G117 L122 I123 | V99-Q119 HydrophobicContact CG1-CB 3.7Å; V99-Q119 HydrophobicContact CG1-CG 3.79Å; V99-Q119 PolarHBondContact O-NE2 3.05Å; F106-Q119 HydrophobicContact CE2-CG 3.96Å; F106-Q119 HydrophobicContact CZ-CG 3.78Å; R115-Q119 WeakPolarHBondContact O-CG 3.41Å; R115-Q119 PolarHBondContact O-N 3.34Å; E116-Q119 WeakPolarHBondContact O-CB 3.4Å; E116-Q119 PolarHBondContact O-N 3.05Å; E116-Q119 VanDerWaalsContact O-N 3.11Å; G117-Q119 VanDerWaalsContact C-N 3.32Å; G117-Q119 PolarHBondContact O-N 3.21Å; Q119-L122 WeakPolarHBondContact O-CB 3.3Å; Q119-L122 PolarHBondContact O-N 3.26Å; Q119-I123 WeakPolarHBondContact O-CD1 3.38Å; Q119-I123 VanDerWaalsContact O-CG1 3.26Å; Q119-I123 WeakPolarHBondContact O-CG1 3.42Å; Q119-I123 PolarHBondContact O-N 3.43Å |
| 120 | E | 95.3 | Very high | 95.2 | Very high | 83 Ų | 83 | 44.2 Ų | 44.2 | 39% | 0.388 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.6 | -47.5 | 174.1 | -65.3 | -61.3 | 131.6 | 0 | 0 | 111.5 | R86 E116 G117 L122 I123 D124 | R86-E120 IonicContact CZ-OE2 3.18Å; R86-E120 IonicContact NH1-OE2 2.62Å; R86-E120 PolarHBondContact NH1-OE2 3.46Å; R86-E120 IonicContact NH2-OE2 2.86Å; R86-E120 PolarHBondContact NH2-OE2 3.3Å; E116-E120 WeakPolarHBondContact O-CG 3.38Å; E116-E120 PolarHBondContact O-N 2.89Å; G117-E120 WeakPolarHBondContact O-CB 3.34Å; G117-E120 PolarHBondContact O-N 3.44Å; E120-L122 VanDerWaalsContact C-N 3.31Å; E120-L122 PolarHBondContact O-N 3.22Å; E120-I123 PolarHBondContact O-N 3.36Å; E120-D124 PolarHBondContact O-N 3.45Å |
| 121 | E | 95.9 | Very high | 95.4 | Very high | 66 Ų | 66 | 44.8 Ų | 44.8 | 31% | 0.308 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.1 | -40.5 | 175.1 | -72 | 174.4 | -157.3 | 0 | 0 | 111.7 | G117 D124 I125 L150 E155 | G117-E121 WeakPolarHBondContact O-CG 3.33Å; G117-E121 PolarHBondContact O-N 3.14Å; E121-D124 PolarHBondContact O-N 3.37Å; E121-I125 WeakPolarHBondContact O-CD1 3.14Å; E121-I125 WeakPolarHBondContact O-CG1 3.48Å; E121-I125 PolarHBondContact O-N 2.81Å; E121-L150 HydrophobicContact CB-CD1 4.38Å; E121-L150 HydrophobicContact CB-CD2 4.02Å; E121-E155 HydrophobicContact CB-CG 4.26Å; E121-E155 HydrophobicContact CG-CG 4.34Å |
| 122 | L | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.9 | -46.4 | 177.2 | 174.9 | 58.5 | 0 | 0 | 0 | 112 | V99 L118 Q119 E120 D124 I125 I126 V146 V147 L150 | V99-L122 HydrophobicContact CB-CD2 4.38Å; V99-L122 HydrophobicContact CG1-CD2 3.95Å; V99-L122 HydrophobicContact CG2-CD2 3.69Å; V99-L122 HydrophobicContact CG2-CG 3.82Å; L118-L122 WeakPolarHBondContact O-CB 3.19Å; L118-L122 PolarHBondContact O-N 3.27Å; Q119-L122 WeakPolarHBondContact O-CB 3.3Å; Q119-L122 PolarHBondContact O-N 3.26Å; E120-L122 VanDerWaalsContact C-N 3.31Å; E120-L122 PolarHBondContact O-N 3.22Å; L122-D124 VanDerWaalsContact C-N 3.31Å; L122-I125 PolarHBondContact O-N 3.5Å; L122-I126 HydrophobicContact CD1-CD1 3.95Å; L122-I126 HydrophobicContact CD1-CG1 4.41Å; L122-I126 HydrophobicContact CG-CD1 4.19Å; L122-I126 WeakPolarHBondContact O-CG1 3.42Å; L122-I126 PolarHBondContact O-N 2.99Å; L122-I126 VanDerWaalsContact O-N 3.15Å; L122-V146 HydrophobicContact CD1-CB 3.56Å; L122-V146 HydrophobicContact CD1-CG1 3.44Å; L122-V146 VanDerWaalsContact CD1-CG1 3.44Å; L122-V147 HydrophobicContact CD1-CB 4.11Å; L122-V147 HydrophobicContact CD2-CB 3.79Å; L122-V147 HydrophobicContact CD2-CG2 3.96Å; L122-L150 HydrophobicContact CB-CD2 3.86Å |
| 123 | I | 96.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58 | -50 | 175.1 | -69.3 | 163.3 | 0 | 0 | 0 | 108.9 | Y92 V95 L96 V99 Q119 E120 I125 I126 L127 | Y92-I123 HydrophobicContact CD2-CG2 4.16Å; Y92-I123 HydrophobicContact CE2-CG2 3.97Å; V95-I123 HydrophobicContact CG1-CB 4.47Å; V95-I123 HydrophobicContact CG1-CG1 4.26Å; V95-I123 HydrophobicContact CG1-CG2 4.35Å; L96-I123 HydrophobicContact CD1-CD1 3.68Å; V99-I123 HydrophobicContact CB-CD1 4.5Å; V99-I123 HydrophobicContact CB-CG1 4.1Å; V99-I123 HydrophobicContact CG1-CD1 4.33Å; V99-I123 HydrophobicContact CG1-CG1 4.14Å; V99-I123 HydrophobicContact CG2-CG1 3.9Å; Q119-I123 WeakPolarHBondContact O-CD1 3.38Å; Q119-I123 VanDerWaalsContact O-CG1 3.26Å; Q119-I123 WeakPolarHBondContact O-CG1 3.42Å; Q119-I123 PolarHBondContact O-N 3.43Å; E120-I123 PolarHBondContact O-N 3.36Å; I123-I125 PolarHBondContact O-N 3.16Å; I123-I126 PolarHBondContact O-N 3.5Å; I123-L127 HydrophobicContact CG2-CD1 3.75Å; I123-L127 HydrophobicContact CG2-CG 4.29Å; I123-L127 VanDerWaalsContact O-CG 3.31Å; I123-L127 WeakPolarHBondContact O-CG 3.48Å; I123-L127 PolarHBondContact O-N 2.96Å |
| 124 | D | 96.4 | Very high | 95.4 | Very high | 29 Ų | 29 | 38.5 Ų | 38.5 | 16% | 0.155 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.9 | -45.8 | -177.8 | -73.1 | -29.3 | 0 | 0 | 0 | 112.1 | I84 R86 E120 E121 L122 I126 L127 R128 | I84-D124 HydrophobicContact CD1-CB 3.98Å; I84-D124 WeakPolarHBondContact CD1-O 3.37Å; R86-D124 IonicContact CZ-OD1 3.25Å; R86-D124 VanDerWaalsContact CZ-OD1 3.25Å; R86-D124 IonicContact CZ-OD2 3.81Å; R86-D124 IonicContact NE-OD1 2.69Å; R86-D124 PolarHBondContact NE-OD1 2.71Å; R86-D124 IonicContact NE-OD2 3.93Å; R86-D124 IonicContact NH2-OD1 3.08Å; R86-D124 PolarHBondContact NH2-OD1 3.06Å; R86-D124 VanDerWaalsContact NH2-OD1 3.08Å; R86-D124 IonicContact NH2-OD2 2.89Å; R86-D124 PolarHBondContact NH2-OD2 3.17Å; E120-D124 PolarHBondContact O-N 3.45Å; E121-D124 PolarHBondContact O-N 3.37Å; L122-D124 VanDerWaalsContact C-N 3.31Å; D124-I126 VanDerWaalsContact C-N 3.33Å; D124-I126 PolarHBondContact O-N 3.45Å; D124-L127 PolarHBondContact O-N 3.4Å; D124-R128 VanDerWaalsContact O-CB 3.31Å; D124-R128 WeakPolarHBondContact O-CB 3.48Å; D124-R128 PolarHBondContact O-N 3.36Å |
| 125 | I | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.1 | -49.3 | 176.4 | -67.6 | 162.5 | 0 | 0 | 0 | 111.1 | E121 L122 I123 L127 R128 V129 V146 L150 E155 A158 T159 | E121-I125 WeakPolarHBondContact O-CD1 3.14Å; E121-I125 WeakPolarHBondContact O-CG1 3.48Å; E121-I125 PolarHBondContact O-N 2.81Å; L122-I125 PolarHBondContact O-N 3.5Å; I123-I125 PolarHBondContact O-N 3.16Å; I125-L127 PolarHBondContact O-N 3.44Å; I125-R128 WeakPolarHBondContact O-CB 3.45Å; I125-R128 PolarHBondContact O-N 3.01Å; I125-V129 HydrophobicContact CG2-CG2 4.48Å; I125-V129 WeakPolarHBondContact O-CG2 3.28Å; I125-V129 PolarHBondContact O-N 3.42Å; I125-V146 HydrophobicContact CB-CG1 3.97Å; I125-V146 HydrophobicContact CD1-CG1 4.5Å; I125-V146 HydrophobicContact CG2-CG1 3.45Å; I125-V146 VanDerWaalsContact CG2-CG1 3.45Å; I125-L150 HydrophobicContact CD1-CB 4.37Å; I125-L150 HydrophobicContact CD1-CD1 3.86Å; I125-L150 HydrophobicContact CD1-CD2 4.27Å; I125-L150 HydrophobicContact CD1-CG 4.39Å; I125-E155 HydrophobicContact CD1-CG 3.98Å; I125-E155 HydrophobicContact CG1-CG 3.92Å; I125-A158 HydrophobicContact CD1-CB 4.05Å; I125-T159 WeakPolarHBondContact CG1-OG1 3.32Å |
| 126 | I | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.1 | -49.3 | -178.3 | -68.4 | 166.1 | 0 | 0 | 0 | 110.4 | V95 V99 L122 I123 D124 R128 V129 L130 Y138 Y142 H143 V146 | V95-I126 HydrophobicContact CB-CG2 4.49Å; V95-I126 HydrophobicContact CG1-CB 4.1Å; V95-I126 HydrophobicContact CG1-CD1 3.83Å; V95-I126 HydrophobicContact CG1-CG2 3.95Å; V95-I126 HydrophobicContact CG2-CG2 3.63Å; V99-I126 HydrophobicContact CG2-CD1 4.46Å; L122-I126 HydrophobicContact CD1-CD1 3.95Å; L122-I126 HydrophobicContact CD1-CG1 4.41Å; L122-I126 HydrophobicContact CG-CD1 4.19Å; L122-I126 WeakPolarHBondContact O-CG1 3.42Å; L122-I126 PolarHBondContact O-N 2.99Å; L122-I126 VanDerWaalsContact O-N 3.15Å; I123-I126 PolarHBondContact O-N 3.5Å; D124-I126 VanDerWaalsContact C-N 3.33Å; D124-I126 PolarHBondContact O-N 3.45Å; I126-R128 VanDerWaalsContact C-N 3.33Å; I126-R128 PolarHBondContact O-N 3.35Å; I126-V129 PolarHBondContact O-N 3.16Å; I126-L130 HydrophobicContact CG2-CD1 3.78Å; I126-L130 HydrophobicContact CG2-CG 4.47Å; I126-L130 VanDerWaalsContact O-CG 3.32Å; I126-L130 WeakPolarHBondContact O-CG 3.4Å; I126-L130 PolarHBondContact O-N 3.32Å; I126-Y138 HydrophobicContact CG2-CD2 3.88Å; I126-Y138 HydrophobicContact CG2-CE2 4.02Å; I126-Y142 HydrophobicContact CB-CE1 4.39Å; I126-Y142 HydrophobicContact CG1-CD1 4.14Å; I126-Y142 HydrophobicContact CG1-CE1 4.01Å; I126-Y142 HydrophobicContact CG2-CD1 4.06Å; I126-Y142 HydrophobicContact CG2-CE1 4.01Å; I126-H143 HydrophobicContact CD1-CB 3.79Å; I126-V146 HydrophobicContact CD1-CB 4.48Å; I126-V146 HydrophobicContact CD1-CG2 4.49Å; I126-V146 HydrophobicContact CG1-CB 4.12Å; I126-V146 HydrophobicContact CG1-CG1 4.09Å; I126-V146 HydrophobicContact CG1-CG2 3.87Å |
| 127 | L | 96.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.8 | -34.4 | -178.8 | -58.8 | 176.5 | 0 | 0 | 0 | 112.3 | I84 R86 N89 Y92 V95 I123 D124 I125 G131 | I84-L127 HydrophobicContact CD1-CB 4.2Å; I84-L127 HydrophobicContact CG2-CB 4.22Å; R86-L127 HydrophobicContact CB-CD1 4.07Å; R86-L127 HydrophobicContact CG-CD1 3.88Å; N89-L127 HydrophobicContact CB-CD2 4.07Å; Y92-L127 HydrophobicContact CD2-CD1 3.77Å; V95-L127 HydrophobicContact CB-CD2 4.48Å; V95-L127 HydrophobicContact CG2-CD2 4.19Å; I123-L127 HydrophobicContact CG2-CD1 3.75Å; I123-L127 HydrophobicContact CG2-CG 4.29Å; I123-L127 VanDerWaalsContact O-CG 3.31Å; I123-L127 WeakPolarHBondContact O-CG 3.48Å; I123-L127 PolarHBondContact O-N 2.96Å; D124-L127 PolarHBondContact O-N 3.4Å; I125-L127 PolarHBondContact O-N 3.44Å; L127-G131 PolarHBondContact O-N 3.45Å |
| 128 | R | 95.4 | Very high | 95.7 | Very high | 20 Ų | 20 | 34.3 Ų | 34.3 | 8% | 0.075 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.9 | -49.5 | 174.9 | -117.8 | 168.7 | -107.3 | 135.3 | -5.6 | 110.3 | E82 I84 D124 I125 I126 G131 R132 E155 T159 | E82-R128 PolarHBondContact O-NE 2.95Å; I84-R128 HydrophobicContact CD1-CB 3.7Å; I84-R128 HydrophobicContact CD1-CG 3.39Å; I84-R128 HydrophobicContact CG1-CB 4.47Å; I84-R128 HydrophobicContact CG1-CG 3.7Å; D124-R128 VanDerWaalsContact O-CB 3.31Å; D124-R128 WeakPolarHBondContact O-CB 3.48Å; D124-R128 PolarHBondContact O-N 3.36Å; I125-R128 WeakPolarHBondContact O-CB 3.45Å; I125-R128 PolarHBondContact O-N 3.01Å; I126-R128 VanDerWaalsContact C-N 3.33Å; I126-R128 PolarHBondContact O-N 3.35Å; R128-G131 PolarHBondContact O-N 3.31Å; R128-R132 WeakPolarHBondContact O-CG 3.47Å; R128-R132 PolarHBondContact O-N 2.92Å; R128-E155 IonicContact CZ-OE1 2.72Å; R128-E155 IonicContact NH1-OE1 3.18Å; R128-E155 PolarHBondContact NH1-OE1 2.95Å; R128-E155 IonicContact NH2-OE1 3.54Å; R128-E155 PolarHBondContact NH2-OE1 2.82Å; R128-T159 HydrophobicContact CB-CG2 4.24Å |
| 129 | V | 95.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.8 | -46.9 | -179.3 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | I125 I126 R132 N133 L136 V162 E163 | I125-V129 HydrophobicContact CG2-CG2 4.48Å; I125-V129 WeakPolarHBondContact O-CG2 3.28Å; I125-V129 PolarHBondContact O-N 3.42Å; I126-V129 PolarHBondContact O-N 3.16Å; V129-R132 PolarHBondContact O-N 2.96Å; V129-N133 WeakPolarHBondContact O-CB 3.27Å; V129-N133 PolarHBondContact O-N 2.77Å; V129-N133 VanDerWaalsContact O-N 3.09Å; V129-N133 PolarHBondContact O-ND2 3.43Å; V129-L136 HydrophobicContact CG1-CD1 4.4Å; V129-V162 HydrophobicContact CG2-CG1 4.18Å; V129-E163 HydrophobicContact CG1-CB 4.45Å; V129-E163 HydrophobicContact CG2-CB 4.04Å |
| 130 | L | 95.4 | Very high | 95.6 | Very high | 8 Ų | 8 | 38.8 Ų | 38.8 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.3 | -38.4 | 178.6 | -65.8 | 170.7 | 0 | 0 | 0 | 112.3 | D91 I126 N133 L136 Y138 M174 | D91-L130 HydrophobicContact CB-CD1 4.09Å; I126-L130 HydrophobicContact CG2-CD1 3.78Å; I126-L130 HydrophobicContact CG2-CG 4.47Å; I126-L130 VanDerWaalsContact O-CG 3.32Å; I126-L130 WeakPolarHBondContact O-CG 3.4Å; I126-L130 PolarHBondContact O-N 3.32Å; L130-N133 CarbonylContact O-C 3.54Å; L130-N133 VanDerWaalsContact O-C 3.24Å; L130-N133 PolarHBondContact O-N 2.95Å; L130-L136 HydrophobicContact CD2-CB 4.16Å; L130-Y138 HydrophobicContact CD1-CD2 4.22Å; L130-Y138 HydrophobicContact CD1-CG 4.43Å; L130-M174 HydrophobicContact CD2-CE 3.62Å |
| 131 | G | 93.8 | Very high | 95.6 | Very high | 47 Ų | 47 | 35 Ų | 35 | 49% | 0.485 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.9 | -38.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L127 R128 | L127-G131 PolarHBondContact O-N 3.45Å; R128-G131 PolarHBondContact O-N 3.31Å |
| 132 | R | 92.8 | Very high | 95.6 | Very high | 91 Ų | 91 | 31.9 Ų | 31.9 | 34% | 0.343 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -75.1 | -25.3 | 175.7 | -71.5 | 177.5 | 179.5 | 171.2 | 1.1 | 113.4 | E82 R128 V129 E163 | E82-R132 IonicContact OE1-NH2 3.67Å; E82-R132 IonicContact OE2-CZ 3.77Å; E82-R132 IonicContact OE2-NE 3.65Å; E82-R132 PolarHBondContact OE2-NE 2.86Å; E82-R132 IonicContact OE2-NH2 2.81Å; E82-R132 PolarHBondContact OE2-NH2 3.3Å; R128-R132 WeakPolarHBondContact O-CG 3.47Å; R128-R132 PolarHBondContact O-N 2.92Å; V129-R132 PolarHBondContact O-N 2.96Å; R132-E163 WeakPolarHBondContact CB-OE1 3.43Å; R132-E163 WeakPolarHBondContact CD-OE1 3.46Å; R132-E163 IonicContact NH1-OE2 3.8Å; R132-E163 PolarHBondContact NH1-OE2 3.5Å; R132-E163 VanDerWaalsContact NH1-OE2 3.1Å |
| 133 | N | 95.1 | Very high | 95.6 | Very high | 18 Ų | 18 | 32.4 Ų | 32.4 | 10% | 0.096 | 17% | 0.169 | C | C | . | . | trans | -125.5 | 72.4 | -173.5 | -60.7 | -87.6 | 0 | 0 | 0 | 109.4 | V129 L130 Q135 L136 E163 T167 | V129-N133 WeakPolarHBondContact O-CB 3.27Å; V129-N133 PolarHBondContact O-N 2.77Å; V129-N133 VanDerWaalsContact O-N 3.09Å; V129-N133 PolarHBondContact O-ND2 3.43Å; L130-N133 CarbonylContact O-C 3.54Å; L130-N133 VanDerWaalsContact O-C 3.24Å; L130-N133 PolarHBondContact O-N 2.95Å; N133-Q135 VanDerWaalsContact CA-OE1 3.24Å; N133-Q135 PolarHBondContact O-N 3.14Å; N133-L136 HydrophobicContact CB-CB 4.41Å; N133-L136 HydrophobicContact CB-CD1 3.51Å; N133-L136 HydrophobicContact CB-CG 3.73Å; N133-L136 WeakPolarHBondContact O-CB 3.15Å; N133-L136 PolarHBondContact O-N 3.04Å; N133-E163 PolarHBondContact ND2-OE1 2.95Å; N133-T167 VanDerWaalsContact OD1-CG2 3.32Å; N133-T167 WeakPolarHBondContact OD1-CG2 3.45Å | ||
| 134 | T | 93.6 | Very high | 95.5 | Very high | 115 Ų | 115 | 32.5 Ų | 32.5 | 71% | 0.706 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -14.6 | -174.9 | 55 | 0 | 0 | 0 | 0 | 114.6 | L136 | T134-L136 VanDerWaalsContact C-N 3.34Š|
| 135 | Q | 94.1 | Very high | 95.6 | Very high | 106 Ų | 106 | 31.1 Ų | 31.1 | 50% | 0.495 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -20 | 171.6 | 75.2 | -77.2 | 9 | 0 | 0 | 113.7 | N133 H137 | N133-Q135 VanDerWaalsContact CA-OE1 3.24Å; N133-Q135 PolarHBondContact O-N 3.14Å; Q135-H137 PolarHBondContact O-CE1 3.4Å; Q135-H137 VanDerWaalsContact O-CE1 3.26Å; Q135-H137 PolarHBondContact O-ND1 3.43Å |
| 136 | L | 96 | Very high | 95.6 | Very high | 5 Ų | 5 | 31.1 Ų | 31.1 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | trans | -85.1 | 141.2 | -179.7 | -57.6 | -179.4 | 0 | 0 | 0 | 110.5 | V129 L130 N133 T134 T167 M174 | V129-L136 HydrophobicContact CG1-CD1 4.4Å; L130-L136 HydrophobicContact CD2-CB 4.16Å; N133-L136 HydrophobicContact CB-CB 4.41Å; N133-L136 HydrophobicContact CB-CD1 3.51Å; N133-L136 HydrophobicContact CB-CG 3.73Å; N133-L136 WeakPolarHBondContact O-CB 3.15Å; N133-L136 PolarHBondContact O-N 3.04Å; T134-L136 VanDerWaalsContact C-N 3.34Å; L136-T167 HydrophobicContact CD1-CG2 4.28Å; L136-M174 HydrophobicContact CB-CB 4.2Å; L136-M174 HydrophobicContact CB-CE 3.96Å; L136-M174 HydrophobicContact CB-SD 4.3Å; L136-M174 HydrophobicContact CD1-CE 4.3Å; L136-M174 HydrophobicContact CD1-SD 4.01Å; L136-M174 HydrophobicContact CD2-CB 3.95Å; L136-M174 HydrophobicContact CD2-SD 4.36Å; L136-M174 HydrophobicContact CG-SD 4.46Å | ||
| 137 | H | 95.9 | Very high | 95.6 | Very high | 59 Ų | 59 | 31.1 Ų | 31.1 | 27% | 0.273 | 16% | 0.162 | S | C | . | . | trans | -115 | 131.2 | 179.2 | -62 | 68.1 | 0 | 0 | 0 | 108.5 | Q135 Y139 M174 | Q135-H137 PolarHBondContact O-CE1 3.4Å; Q135-H137 VanDerWaalsContact O-CE1 3.26Å; Q135-H137 PolarHBondContact O-ND1 3.43Å; H137-Y139 PolarHBondContact O-N 3.28Å; H137-M174 WeakPolarHBondContact CB-O 3.19Å; H137-M174 PolarHBondContact N-O 2.86Å; H137-M174 PolarHBondContact ND1-O 3.47Å; H137-M174 WeakPolarHBondContact O-CA 3.42Å; H137-M174 WeakPolarHBondContact O-CB 3.02Å | ||
| 138 | Y | 96.9 | Very high | 95.5 | Very high | 27 Ų | 27 | 31 Ų | 31 | 11% | 0.106 | 16% | 0.162 | C | C | . | . | trans | -65 | 135.5 | 175.7 | 179.6 | -96.8 | 0 | 0 | 0 | 110.3 | Q94 V95 D98 I126 L130 Y142 H143 | Q94-Y138 HydrophobicContact CG-CD1 3.93Å; Q94-Y138 HydrophobicContact CG-CE1 3.7Å; V95-Y138 HydrophobicContact CG2-CD1 4.41Å; V95-Y138 HydrophobicContact CG2-CD2 3.79Å; V95-Y138 HydrophobicContact CG2-CE1 4.39Å; V95-Y138 HydrophobicContact CG2-CE2 3.75Å; V95-Y138 HydrophobicContact CG2-CG 4.12Å; D98-Y138 WeakPolarHBondContact CB-OH 3.16Å; D98-Y138 WeakPolarHBondContact OD2-CE1 3.32Å; D98-Y138 PolarHBondContact OD2-OH 3.01Å; I126-Y138 HydrophobicContact CG2-CD2 3.88Å; I126-Y138 HydrophobicContact CG2-CE2 4.02Å; L130-Y138 HydrophobicContact CD1-CD2 4.22Å; L130-Y138 HydrophobicContact CD1-CG 4.43Å; Y138-Y142 AromaticContact CD2-CD1 3.91Å; Y138-Y142 HydrophobicContact CD2-CD1 3.91Å; Y138-Y142 AromaticContact CE2-CD1 3.93Å; Y138-Y142 HydrophobicContact CE2-CD1 3.93Å; Y138-Y142 HydrophobicContact CE2-CG 4.44Å; Y138-H143 PolarHBondContact OH-ND1 3.46Å | ||
| 139 | Y | 95.6 | Very high | 95.6 | Very high | 9 Ų | 9 | 30.1 Ų | 30.1 | 4% | 0.035 | 16% | 0.158 | C | C | . | . | trans | -122 | 147.8 | 171 | 69.4 | -96 | 0 | 0 | 0 | 110.5 | H137 G141 Y142 F173 M174 M178 I218 | H137-Y139 PolarHBondContact O-N 3.28Å; Y139-G141 PolarHBondContact O-N 2.91Å; Y139-Y142 AromaticContact CE1-CD2 3.93Å; Y139-Y142 HydrophobicContact CE1-CD2 3.93Å; Y139-Y142 HydrophobicContact CE1-CG 4.25Å; Y139-Y142 AromaticContact CZ-CD2 3.98Å; Y139-Y142 WeakPolarHBondContact O-CB 3.47Å; Y139-Y142 PolarHBondContact O-N 3.4Å; Y139-Y142 VanDerWaalsContact O-N 3.12Å; Y139-F173 HydrophobicContact CD1-CB 4.06Å; Y139-F173 WeakPolarHBondContact CD1-O 3.33Å; Y139-F173 HydrophobicContact CE1-CB 3.67Å; Y139-M174 HydrophobicContact CD1-CG 3.77Å; Y139-M174 HydrophobicContact CE1-CG 3.62Å; Y139-M178 HydrophobicContact CG-CE 4.46Å; Y139-I218 HydrophobicContact CD2-CB 4.11Å; Y139-I218 HydrophobicContact CD2-CD1 4.22Å; Y139-I218 HydrophobicContact CD2-CG1 4.43Å; Y139-I218 HydrophobicContact CE2-CB 3.58Å; Y139-I218 HydrophobicContact CE2-CD1 4.4Å; Y139-I218 HydrophobicContact CE2-CG1 4.11Å; Y139-I218 VanDerWaalsContact CE2-O 3.24Å; Y139-I218 WeakPolarHBondContact CE2-O 3.32Å; Y139-I218 PolarHBondContact OH-O 3.13Å | ||
| 140 | Q | 94.4 | Very high | 95.7 | Very high | 129 Ų | 129 | 30.4 Ų | 30.4 | 60% | 0.603 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 118.2 | 178.4 | -174 | 176.8 | -27.9 | 0 | 0 | 110.3 | ||
| 141 | G | 94.3 | Very high | 95.7 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 117 | -16.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y139 H143 D144 | Y139-G141 PolarHBondContact O-N 2.91Å; G141-H143 PolarHBondContact O-N 3.05Å; G141-D144 WeakPolarHBondContact O-CB 3.48Å; G141-D144 PolarHBondContact O-N 3.15Å |
| 142 | Y | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.2 | -37.7 | 176.3 | 178.7 | -118.9 | 0 | 0 | 0 | 112.3 | I126 Y138 Y139 D144 I145 V146 V162 S166 L170 M174 | I126-Y142 HydrophobicContact CB-CE1 4.39Å; I126-Y142 HydrophobicContact CG1-CD1 4.14Å; I126-Y142 HydrophobicContact CG1-CE1 4.01Å; I126-Y142 HydrophobicContact CG2-CD1 4.06Å; I126-Y142 HydrophobicContact CG2-CE1 4.01Å; Y138-Y142 AromaticContact CD2-CD1 3.91Å; Y138-Y142 HydrophobicContact CD2-CD1 3.91Å; Y138-Y142 AromaticContact CE2-CD1 3.93Å; Y138-Y142 HydrophobicContact CE2-CD1 3.93Å; Y138-Y142 HydrophobicContact CE2-CG 4.44Å; Y139-Y142 AromaticContact CE1-CD2 3.93Å; Y139-Y142 HydrophobicContact CE1-CD2 3.93Å; Y139-Y142 HydrophobicContact CE1-CG 4.25Å; Y139-Y142 AromaticContact CZ-CD2 3.98Å; Y139-Y142 WeakPolarHBondContact O-CB 3.47Å; Y139-Y142 PolarHBondContact O-N 3.4Å; Y139-Y142 VanDerWaalsContact O-N 3.12Å; Y142-D144 PolarHBondContact O-N 3Å; Y142-I145 WeakPolarHBondContact O-CB 3.15Å; Y142-I145 PolarHBondContact O-N 2.74Å; Y142-V146 HydrophobicContact CD1-CG2 3.98Å; Y142-V146 HydrophobicContact CD2-CG2 4.37Å; Y142-V146 HydrophobicContact CE1-CG2 3.61Å; Y142-V146 HydrophobicContact CE2-CG2 4.02Å; Y142-V146 HydrophobicContact CG-CG2 4.35Å; Y142-V146 WeakPolarHBondContact O-CG2 3.18Å; Y142-V146 PolarHBondContact O-N 3.39Å; Y142-V146 VanDerWaalsContact O-N 3.13Å; Y142-V162 HydrophobicContact CE2-CG1 4.35Å; Y142-V162 WeakPolarHBondContact OH-CG1 3.42Å; Y142-S166 VanDerWaalsContact CE2-OG 3.26Å; Y142-S166 WeakPolarHBondContact CE2-OG 3.4Å; Y142-S166 PolarHBondContact OH-OG 3.09Å; Y142-L170 HydrophobicContact CD2-CD1 4.17Å; Y142-L170 HydrophobicContact CE2-CD1 3.87Å; Y142-M174 HydrophobicContact CD1-CE 4.37Å; Y142-M174 HydrophobicContact CD2-CE 4.32Å; Y142-M174 HydrophobicContact CD2-SD 4.38Å; Y142-M174 HydrophobicContact CE1-CE 4.12Å; Y142-M174 HydrophobicContact CE2-CE 4.08Å; Y142-M174 HydrophobicContact CE2-SD 4Å; Y142-M174 HydrophobicContact CG-CE 4.45Å |
| 143 | H | 96.7 | Very high | 96 | Very high | 11 Ų | 11 | 26.2 Ų | 26.2 | 5% | 0.051 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.9 | -30.1 | 176.1 | 64.8 | -85.7 | 0 | 0 | 0 | 113.7 | V99 I126 Y138 G141 I145 V146 V147 | V99-H143 HydrophobicContact CG2-CB 4.36Å; I126-H143 HydrophobicContact CD1-CB 3.79Å; Y138-H143 PolarHBondContact OH-ND1 3.46Å; G141-H143 PolarHBondContact O-N 3.05Å; H143-I145 PolarHBondContact O-N 3.42Å; H143-V146 PolarHBondContact O-N 2.97Å; H143-V147 WeakPolarHBondContact O-CB 3.25Å; H143-V147 WeakPolarHBondContact O-CG1 3.39Å; H143-V147 PolarHBondContact O-N 3.34Å |
| 144 | D | 95.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.9 | -30.6 | 176.2 | -77.8 | -51.1 | 0 | 0 | 0 | 111.5 | R105 G141 Y142 V147 T148 T219 H223 | R105-D144 WeakPolarHBondContact CG-OD1 3.31Å; R105-D144 IonicContact NE-OD1 3.74Å; G141-D144 WeakPolarHBondContact O-CB 3.48Å; G141-D144 PolarHBondContact O-N 3.15Å; Y142-D144 PolarHBondContact O-N 3Å; D144-V147 WeakPolarHBondContact O-CG1 3.39Å; D144-T148 PolarHBondContact O-OG1 2.9Å; D144-T219 HydrophobicContact CB-CG2 4.16Å; D144-H223 IonicContact OD2-CG 2.7Å; D144-H223 IonicContact OD2-ND1 3.24Å; D144-H223 PolarHBondContact OD2-ND1 2.95Å; D144-H223 VanDerWaalsContact OD2-ND1 3.16Å |
| 145 | I | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -73.7 | -52.2 | 172.5 | -58.3 | -176.8 | 0 | 0 | 0 | 110.1 | Y142 H143 V147 T148 F149 L165 L170 I218 W220 Y235 | Y142-I145 WeakPolarHBondContact O-CB 3.15Å; Y142-I145 PolarHBondContact O-N 2.74Å; H143-I145 PolarHBondContact O-N 3.42Å; I145-V147 VanDerWaalsContact C-N 3.33Å; I145-V147 PolarHBondContact O-N 2.96Å; I145-T148 WeakPolarHBondContact O-CB 3.45Å; I145-T148 PolarHBondContact O-N 2.71Å; I145-T148 VanDerWaalsContact O-N 3.07Å; I145-F149 HydrophobicContact CG2-CD2 4.03Å; I145-F149 HydrophobicContact CG2-CE2 3.84Å; I145-F149 WeakPolarHBondContact O-CD2 3.29Å; I145-F149 PolarHBondContact O-N 3.04Å; I145-L165 HydrophobicContact CG2-CD2 4Å; I145-L170 HydrophobicContact CD1-CD1 3.71Å; I145-L170 HydrophobicContact CD1-CD2 3.59Å; I145-L170 HydrophobicContact CD1-CG 4.3Å; I145-L170 HydrophobicContact CG2-CD1 4.19Å; I145-I218 VanDerWaalsContact CD1-O 3.31Å; I145-I218 WeakPolarHBondContact CD1-O 3.38Å; I145-W220 HydrophobicContact CD1-CB 4.49Å; I145-W220 HydrophobicContact CD1-CD2 4.48Å; I145-W220 HydrophobicContact CD1-CG 4.16Å; I145-Y235 VanDerWaalsContact CA-OH 3.32Å; I145-Y235 WeakPolarHBondContact CA-OH 3.33Å; I145-Y235 HydrophobicContact CG2-CE1 4.12Å |
| 146 | V | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.7 | -40.8 | -175.2 | -174.2 | 0 | 0 | 0 | 0 | 111.9 | L122 I125 I126 Y142 H143 T148 F149 L150 V162 | L122-V146 HydrophobicContact CD1-CB 3.56Å; L122-V146 HydrophobicContact CD1-CG1 3.44Å; L122-V146 VanDerWaalsContact CD1-CG1 3.44Å; I125-V146 HydrophobicContact CB-CG1 3.97Å; I125-V146 HydrophobicContact CD1-CG1 4.5Å; I125-V146 HydrophobicContact CG2-CG1 3.45Å; I125-V146 VanDerWaalsContact CG2-CG1 3.45Å; I126-V146 HydrophobicContact CD1-CB 4.48Å; I126-V146 HydrophobicContact CD1-CG2 4.49Å; I126-V146 HydrophobicContact CG1-CB 4.12Å; I126-V146 HydrophobicContact CG1-CG1 4.09Å; I126-V146 HydrophobicContact CG1-CG2 3.87Å; Y142-V146 HydrophobicContact CD1-CG2 3.98Å; Y142-V146 HydrophobicContact CD2-CG2 4.37Å; Y142-V146 HydrophobicContact CE1-CG2 3.61Å; Y142-V146 HydrophobicContact CE2-CG2 4.02Å; Y142-V146 HydrophobicContact CG-CG2 4.35Å; Y142-V146 WeakPolarHBondContact O-CG2 3.18Å; Y142-V146 PolarHBondContact O-N 3.39Å; Y142-V146 VanDerWaalsContact O-N 3.13Å; H143-V146 PolarHBondContact O-N 2.97Å; V146-T148 VanDerWaalsContact C-N 3.26Å; V146-T148 PolarHBondContact O-N 3.38Å; V146-F149 PolarHBondContact O-N 3.22Å; V146-L150 PolarHBondContact O-N 2.82Å; V146-V162 HydrophobicContact CG1-CG1 4.44Å; V146-V162 HydrophobicContact CG1-CG2 4.32Å; V146-V162 HydrophobicContact CG2-CG1 3.69Å; V146-V162 HydrophobicContact CG2-CG2 4.46Å |
| 147 | V | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.6 | -33.9 | 177.5 | 74.3 | 0 | 0 | 0 | 0 | 111.9 | R105 F106 L122 H143 D144 I145 L150 L151 | R105-V147 HydrophobicContact CB-CG1 4.1Å; R105-V147 HydrophobicContact CG-CG1 4.34Å; F106-V147 HydrophobicContact CE1-CG2 4.04Å; F106-V147 HydrophobicContact CE2-CG2 4.3Å; F106-V147 HydrophobicContact CZ-CG2 3.76Å; L122-V147 HydrophobicContact CD1-CB 4.11Å; L122-V147 HydrophobicContact CD2-CB 3.79Å; L122-V147 HydrophobicContact CD2-CG2 3.96Å; H143-V147 WeakPolarHBondContact O-CB 3.25Å; H143-V147 WeakPolarHBondContact O-CG1 3.39Å; H143-V147 PolarHBondContact O-N 3.34Å; D144-V147 WeakPolarHBondContact O-CG1 3.39Å; I145-V147 VanDerWaalsContact C-N 3.33Å; I145-V147 PolarHBondContact O-N 2.96Å; V147-L150 PolarHBondContact O-N 3.34Å; V147-L151 HydrophobicContact CG2-CD1 4.15Å; V147-L151 HydrophobicContact CG2-CG 4.25Å; V147-L151 WeakPolarHBondContact O-CB 3.49Å; V147-L151 VanDerWaalsContact O-CG 3.27Å; V147-L151 WeakPolarHBondContact O-CG 3.4Å; V147-L151 PolarHBondContact O-N 2.81Å |
| 148 | T | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.9 | -40.3 | 176.9 | -57.9 | 0 | 0 | 0 | 0 | 110.8 | D144 I145 V146 V152 F228 V231 V232 Y235 | D144-T148 PolarHBondContact O-OG1 2.9Å; I145-T148 WeakPolarHBondContact O-CB 3.45Å; I145-T148 PolarHBondContact O-N 2.71Å; I145-T148 VanDerWaalsContact O-N 3.07Å; V146-T148 VanDerWaalsContact C-N 3.26Å; V146-T148 PolarHBondContact O-N 3.38Å; T148-V152 WeakPolarHBondContact O-CG2 3.38Å; T148-V152 PolarHBondContact O-N 2.97Å; T148-F228 HydrophobicContact CG2-CE2 4.06Å; T148-F228 HydrophobicContact CG2-CZ 4.45Å; T148-V231 HydrophobicContact CG2-CG1 4.01Å; T148-V232 HydrophobicContact CG2-CG2 4.18Å; T148-Y235 HydrophobicContact CG2-CD1 3.79Å; T148-Y235 HydrophobicContact CG2-CD2 4.28Å; T148-Y235 HydrophobicContact CG2-CE1 3.53Å; T148-Y235 HydrophobicContact CG2-CE2 4.06Å; T148-Y235 HydrophobicContact CG2-CG 4.17Å |
| 149 | F | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.7 | -43.3 | 171.8 | -80.4 | -91.6 | 0 | 0 | 0 | 112.1 | W66 L70 I145 V146 L151 V152 L153 A158 L161 V162 L165 Y235 L239 | W66-F149 AromaticContact CE3-CD1 3.76Å; W66-F149 HydrophobicContact CE3-CD1 3.76Å; W66-F149 AromaticContact CE3-CE1 3.64Å; W66-F149 HydrophobicContact CE3-CE1 3.64Å; W66-F149 AromaticContact CZ3-CD1 3.66Å; W66-F149 HydrophobicContact CZ3-CD1 3.66Å; W66-F149 AromaticContact CZ3-CE1 3.8Å; W66-F149 HydrophobicContact CZ3-CE1 3.8Å; W66-F149 HydrophobicContact CZ3-CG 4.25Å; W66-F149 HydrophobicContact CZ3-CZ 4.49Å; L70-F149 HydrophobicContact CD1-CE1 4.44Å; I145-F149 HydrophobicContact CG2-CD2 4.03Å; I145-F149 HydrophobicContact CG2-CE2 3.84Å; I145-F149 WeakPolarHBondContact O-CD2 3.29Å; I145-F149 PolarHBondContact O-N 3.04Å; V146-F149 PolarHBondContact O-N 3.22Å; F149-L151 VanDerWaalsContact C-N 3.33Å; F149-L151 PolarHBondContact O-N 2.93Å; F149-V152 PolarHBondContact O-N 3.15Å; F149-L153 HydrophobicContact CD1-CD1 3.8Å; F149-L153 VanDerWaalsContact O-CB 3.28Å; F149-L153 WeakPolarHBondContact O-CB 3.46Å; F149-L153 WeakPolarHBondContact O-CG 3.46Å; F149-L153 PolarHBondContact O-N 3.44Å; F149-A158 HydrophobicContact CB-CB 4.24Å; F149-L161 HydrophobicContact CD1-CB 4.14Å; F149-L161 HydrophobicContact CD1-CD2 4.42Å; F149-L161 HydrophobicContact CE1-CB 4.1Å; F149-L161 HydrophobicContact CE1-CD2 4.22Å; F149-V162 HydrophobicContact CB-CG2 3.78Å; F149-V162 HydrophobicContact CD1-CG2 4.32Å; F149-V162 HydrophobicContact CD2-CG2 3.79Å; F149-V162 HydrophobicContact CG-CG2 3.7Å; F149-L165 HydrophobicContact CE2-CD2 3.61Å; F149-L165 HydrophobicContact CZ-CD2 3.79Å; F149-Y235 HydrophobicContact CD2-CD1 4.34Å; F149-Y235 AromaticContact CD2-CE1 3.99Å; F149-Y235 HydrophobicContact CD2-CE1 3.99Å; F149-Y235 AromaticContact CE2-CD1 3.79Å; F149-Y235 HydrophobicContact CE2-CD1 3.79Å; F149-Y235 AromaticContact CE2-CE1 3.63Å; F149-Y235 HydrophobicContact CE2-CE1 3.63Å; F149-Y235 HydrophobicContact CZ-CD1 4.19Å; F149-Y235 HydrophobicContact CZ-CE1 4.47Å; F149-L239 HydrophobicContact CE1-CD1 4.32Å; F149-L239 HydrophobicContact CZ-CD1 4.18Å; F149-L239 HydrophobicContact CZ-CD2 4.14Å |
| 150 | L | 96.8 | Very high | 95.7 | Very high | 7 Ų | 7 | 21.1 Ų | 21.1 | 4% | 0.037 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.4 | -31.5 | -180 | -179.4 | 59.9 | 0 | 0 | 0 | 113.4 | L118 E121 L122 I125 V146 V147 V152 L153 E155 | L118-L150 HydrophobicContact CB-CD2 4.33Å; L118-L150 HydrophobicContact CD2-CD1 4.32Å; L118-L150 HydrophobicContact CD2-CD2 4.19Å; L118-L150 HydrophobicContact CD2-CG 4.05Å; L118-L150 VanDerWaalsContact O-CD2 3.23Å; L118-L150 WeakPolarHBondContact O-CD2 3.38Å; E121-L150 HydrophobicContact CB-CD1 4.38Å; E121-L150 HydrophobicContact CB-CD2 4.02Å; L122-L150 HydrophobicContact CB-CD2 3.86Å; I125-L150 HydrophobicContact CD1-CB 4.37Å; I125-L150 HydrophobicContact CD1-CD1 3.86Å; I125-L150 HydrophobicContact CD1-CD2 4.27Å; I125-L150 HydrophobicContact CD1-CG 4.39Å; V146-L150 PolarHBondContact O-N 2.82Å; V147-L150 PolarHBondContact O-N 3.34Å; L150-V152 VanDerWaalsContact C-N 3.3Å; L150-L153 CarbonylContact C-O 3.49Å; L150-E155 HydrophobicContact CD1-CB 4.47Å |
| 151 | L | 95.4 | Very high | 95.8 | Very high | 36 Ų | 36 | 15 Ų | 15 | 19% | 0.188 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -75.6 | -20.7 | 176.7 | -72.7 | 173.6 | 0 | 0 | 0 | 112.9 | R105 F106 M110 L118 V147 F149 F228 | R105-L151 WeakPolarHBondContact O-CD1 3.46Å; F106-L151 HydrophobicContact CD1-CD2 4.12Å; F106-L151 HydrophobicContact CE1-CD2 4.38Å; M110-L151 HydrophobicContact CE-CD2 4.39Å; L118-L151 HydrophobicContact CD1-CD2 4.08Å; V147-L151 HydrophobicContact CG2-CD1 4.15Å; V147-L151 HydrophobicContact CG2-CG 4.25Å; V147-L151 WeakPolarHBondContact O-CB 3.49Å; V147-L151 VanDerWaalsContact O-CG 3.27Å; V147-L151 WeakPolarHBondContact O-CG 3.4Å; V147-L151 PolarHBondContact O-N 2.81Å; F149-L151 VanDerWaalsContact C-N 3.33Å; F149-L151 PolarHBondContact O-N 2.93Å; L151-F228 HydrophobicContact CB-CE1 4.33Å; L151-F228 HydrophobicContact CB-CE2 4.1Å; L151-F228 HydrophobicContact CB-CZ 3.55Å; L151-F228 HydrophobicContact CD1-CD2 4.37Å; L151-F228 HydrophobicContact CD1-CE2 3.72Å; L151-F228 HydrophobicContact CD1-CZ 3.99Å; L151-F228 HydrophobicContact CG-CZ 4.45Å |
| 152 | V | 96.4 | Very high | 96 | Very high | 10 Ų | 10 | 14.8 Ų | 14.8 | 6% | 0.061 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -98.8 | -32 | 179.8 | 176.5 | 0 | 0 | 0 | 0 | 111.8 | D59 R62 C63 W66 T148 F149 L150 F228 V232 | D59-V152 HydrophobicContact CB-CG1 4.07Å; R62-V152 HydrophobicContact CB-CG1 3.77Å; R62-V152 HydrophobicContact CG-CG1 4.49Å; C63-V152 PolarHBondContact SG-O 3.46Å; C63-V152 VanDerWaalsContact SG-O 3.34Å; W66-V152 HydrophobicContact CE3-CG1 4.29Å; W66-V152 HydrophobicContact CH2-CB 3.96Å; W66-V152 HydrophobicContact CH2-CG1 3.8Å; W66-V152 HydrophobicContact CH2-CG2 3.88Å; W66-V152 HydrophobicContact CZ2-CG1 4.35Å; W66-V152 HydrophobicContact CZ3-CB 3.88Å; W66-V152 HydrophobicContact CZ3-CG1 3.75Å; W66-V152 HydrophobicContact CZ3-CG2 4.29Å; T148-V152 WeakPolarHBondContact O-CG2 3.38Å; T148-V152 PolarHBondContact O-N 2.97Å; F149-V152 PolarHBondContact O-N 3.15Å; L150-V152 VanDerWaalsContact C-N 3.3Å; V152-F228 HydrophobicContact CG2-CE1 4.31Å; V152-F228 HydrophobicContact CG2-CZ 3.97Å; V152-V232 HydrophobicContact CG2-CG1 3.92Å; V152-V232 HydrophobicContact CG2-CG2 3.81Å |
| 153 | L | 95.6 | Very high | 96 | Very high | 11 Ų | 11 | 16.8 Ų | 16.8 | 6% | 0.058 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -123.1 | 165.6 | -171.4 | -49 | 176 | 0 | 0 | 0 | 111.4 | C63 W66 F149 L150 L157 A158 L161 | C63-L153 HydrophobicContact CB-CD2 4.27Å; W66-L153 HydrophobicContact CE3-CD1 4Å; W66-L153 HydrophobicContact CE3-CD2 4.13Å; W66-L153 HydrophobicContact CE3-CG 4.17Å; W66-L153 HydrophobicContact CZ3-CD1 4.38Å; W66-L153 HydrophobicContact CZ3-CG 4.32Å; F149-L153 HydrophobicContact CD1-CD1 3.8Å; F149-L153 VanDerWaalsContact O-CB 3.28Å; F149-L153 WeakPolarHBondContact O-CB 3.46Å; F149-L153 WeakPolarHBondContact O-CG 3.46Å; F149-L153 PolarHBondContact O-N 3.44Å; L150-L153 CarbonylContact C-O 3.49Å; L153-L157 HydrophobicContact CB-CB 4.46Å; L153-L157 HydrophobicContact CD1-CD2 4.47Å; L153-L157 HydrophobicContact CD1-CG 4.23Å; L153-L157 HydrophobicContact CD2-CD2 4.13Å; L153-A158 HydrophobicContact CB-CB 4.33Å; L153-L161 HydrophobicContact CD1-CD2 3.69Å |
| 154 | D | 91.8 | Very high | 95.9 | Very high | 87 Ų | 87 | 18.8 Ų | 18.8 | 47% | 0.465 | 9% | 0.092 | S | C | . | . | trans | -71.4 | 159.2 | 166.1 | 66.1 | 46 | 0 | 0 | 0 | 112.3 | R156 L157 A158 | D154-R156 PolarHBondContact O-N 3.42Å; D154-R156 WeakPolarHBondContact OD1-CB 3.4Å; D154-R156 PolarHBondContact OD1-N 3.31Å; D154-L157 PolarHBondContact O-N 2.82Å; D154-L157 VanDerWaalsContact OD1-CB 3.29Å; D154-L157 WeakPolarHBondContact OD1-CB 3.47Å; D154-L157 PolarHBondContact OD1-N 3.4Å; D154-A158 VanDerWaalsContact O-CB 3.23Å; D154-A158 WeakPolarHBondContact O-CB 3.43Å; D154-A158 PolarHBondContact O-N 3.33Å | ||
| 155 | E | 93.8 | Very high | 96 | Very high | 40 Ų | 40 | 18.6 Ų | 18.6 | 19% | 0.187 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -51.5 | -40.9 | -178.4 | -172.5 | -164.8 | 177.7 | 0 | 0 | 113 | P81 E121 I125 R128 L150 T159 | P81-E155 HydrophobicContact CG-CG 4.36Å; E121-E155 HydrophobicContact CB-CG 4.26Å; E121-E155 HydrophobicContact CG-CG 4.34Å; I125-E155 HydrophobicContact CD1-CG 3.98Å; I125-E155 HydrophobicContact CG1-CG 3.92Å; R128-E155 IonicContact CZ-OE1 2.72Å; R128-E155 IonicContact NH1-OE1 3.18Å; R128-E155 PolarHBondContact NH1-OE1 2.95Å; R128-E155 IonicContact NH2-OE1 3.54Å; R128-E155 PolarHBondContact NH2-OE1 2.82Å; L150-E155 HydrophobicContact CD1-CB 4.47Å; E155-T159 WeakPolarHBondContact O-CB 3.17Å; E155-T159 PolarHBondContact O-N 3.29Å; E155-T159 PolarHBondContact O-OG1 3.33Å |
| 156 | R | 93.4 | Very high | 96 | Very high | 74 Ų | 74 | 18.6 Ų | 18.6 | 28% | 0.279 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -67 | -48.3 | -175.6 | -177.9 | -169 | 79.7 | 108.7 | -2.1 | 111.1 | L77 P78 E79 P81 D154 A160 | L77-R156 VanDerWaalsContact CB-NH1 3.27Å; L77-R156 PolarHBondContact O-NH1 3.14Å; P78-R156 WeakPolarHBondContact O-CD 3.35Å; P78-R156 WeakPolarHBondContact O-CG 3.44Å; E79-R156 WeakPolarHBondContact O-CD 3.38Å; P81-R156 HydrophobicContact CG-CB 4.5Å; D154-R156 PolarHBondContact O-N 3.42Å; D154-R156 WeakPolarHBondContact OD1-CB 3.4Å; D154-R156 PolarHBondContact OD1-N 3.31Å; R156-A160 PolarHBondContact O-N 3.18Å |
| 157 | L | 94.6 | Very high | 95.8 | Very high | 12 Ų | 12 | 20.5 Ų | 20.5 | 6% | 0.063 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -72.5 | -41.8 | 178.4 | -168.8 | 60.3 | 0 | 0 | 0 | 110.6 | P67 T74 L77 L153 D154 T159 A160 L161 | P67-L157 HydrophobicContact CB-CD1 4.44Å; P67-L157 HydrophobicContact CG-CD1 3.87Å; P67-L157 HydrophobicContact CG-CD2 3.94Å; P67-L157 HydrophobicContact CG-CG 4.25Å; T74-L157 HydrophobicContact CG2-CD1 4.18Å; L77-L157 HydrophobicContact CD1-CD1 3.64Å; L153-L157 HydrophobicContact CB-CB 4.46Å; L153-L157 HydrophobicContact CD1-CD2 4.47Å; L153-L157 HydrophobicContact CD1-CG 4.23Å; L153-L157 HydrophobicContact CD2-CD2 4.13Å; D154-L157 PolarHBondContact O-N 2.82Å; D154-L157 VanDerWaalsContact OD1-CB 3.29Å; D154-L157 WeakPolarHBondContact OD1-CB 3.47Å; D154-L157 PolarHBondContact OD1-N 3.4Å; L157-T159 VanDerWaalsContact C-N 3.32Å; L157-T159 PolarHBondContact O-N 3.44Å; L157-A160 PolarHBondContact O-N 3.26Å; L157-L161 HydrophobicContact CD1-CD1 3.44Å; L157-L161 VanDerWaalsContact CD1-CD1 3.44Å; L157-L161 HydrophobicContact CG-CD1 3.78Å; L157-L161 VanDerWaalsContact O-CD1 3.24Å; L157-L161 WeakPolarHBondContact O-CD1 3.45Å; L157-L161 PolarHBondContact O-N 3.12Å |
| 158 | A | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -54.9 | -47.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I125 F149 L153 D154 A160 L161 V162 | I125-A158 HydrophobicContact CD1-CB 4.05Å; F149-A158 HydrophobicContact CB-CB 4.24Å; L153-A158 HydrophobicContact CB-CB 4.33Å; D154-A158 VanDerWaalsContact O-CB 3.23Å; D154-A158 WeakPolarHBondContact O-CB 3.43Å; D154-A158 PolarHBondContact O-N 3.33Å; A158-A160 PolarHBondContact O-N 3.39Å; A158-L161 PolarHBondContact O-N 2.83Å; A158-V162 WeakPolarHBondContact O-CB 3.44Å; A158-V162 WeakPolarHBondContact O-CG2 3.31Å; A158-V162 PolarHBondContact O-N 3.16Å |
| 159 | T | 96.3 | Very high | 95.3 | Very high | 5 Ų | 5 | 23.3 Ų | 23.3 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -54.9 | -50.6 | 176.7 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | I125 R128 E155 L157 E163 | I125-T159 WeakPolarHBondContact CG1-OG1 3.32Å; R128-T159 HydrophobicContact CB-CG2 4.24Å; E155-T159 WeakPolarHBondContact O-CB 3.17Å; E155-T159 PolarHBondContact O-N 3.29Å; E155-T159 PolarHBondContact O-OG1 3.33Å; L157-T159 VanDerWaalsContact C-N 3.32Å; L157-T159 PolarHBondContact O-N 3.44Å; T159-E163 VanDerWaalsContact O-CB 3.24Å; T159-E163 WeakPolarHBondContact O-CB 3.21Å; T159-E163 PolarHBondContact O-N 3.39Å |
| 160 | A | 95.8 | Very high | 95.1 | Very high | 14 Ų | 14 | 23.3 Ų | 23.3 | 12% | 0.116 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68 | -38.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V72 L77 R156 L157 A158 K164 | V72-A160 HydrophobicContact CG1-CB 4.06Å; L77-A160 HydrophobicContact CD1-CB 4.08Å; L77-A160 HydrophobicContact CD2-CB 3.47Å; L77-A160 VanDerWaalsContact CD2-CB 3.47Å; L77-A160 HydrophobicContact CG-CB 4.44Å; R156-A160 PolarHBondContact O-N 3.18Å; L157-A160 PolarHBondContact O-N 3.26Å; A158-A160 PolarHBondContact O-N 3.39Å; A160-K164 PolarHBondContact O-N 3.09Å; A160-K164 VanDerWaalsContact O-N 3.15Å |
| 161 | L | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -72.1 | -44.5 | 179.8 | -89.8 | 66.6 | 0 | 0 | 0 | 111 | W66 P67 L70 V72 F149 L153 L157 A158 E163 K164 L165 | W66-L161 HydrophobicContact CB-CD2 3.74Å; P67-L161 HydrophobicContact CB-CD1 4.17Å; P67-L161 HydrophobicContact CG-CD1 4.08Å; P67-L161 HydrophobicContact CG-CD2 4.08Å; L70-L161 HydrophobicContact CD1-CB 3.9Å; L70-L161 HydrophobicContact CD1-CD2 4.17Å; L70-L161 HydrophobicContact CD1-CG 3.84Å; V72-L161 HydrophobicContact CB-CD1 4.12Å; V72-L161 HydrophobicContact CG1-CD1 4.04Å; V72-L161 HydrophobicContact CG2-CD1 4.23Å; V72-L161 HydrophobicContact CG2-CG 4.41Å; F149-L161 HydrophobicContact CD1-CB 4.14Å; F149-L161 HydrophobicContact CD1-CD2 4.42Å; F149-L161 HydrophobicContact CE1-CB 4.1Å; F149-L161 HydrophobicContact CE1-CD2 4.22Å; L153-L161 HydrophobicContact CD1-CD2 3.69Å; L157-L161 HydrophobicContact CD1-CD1 3.44Å; L157-L161 VanDerWaalsContact CD1-CD1 3.44Å; L157-L161 HydrophobicContact CG-CD1 3.78Å; L157-L161 VanDerWaalsContact O-CD1 3.24Å; L157-L161 WeakPolarHBondContact O-CD1 3.45Å; L157-L161 PolarHBondContact O-N 3.12Å; A158-L161 PolarHBondContact O-N 2.83Å; L161-E163 VanDerWaalsContact C-N 3.35Å; L161-K164 PolarHBondContact O-N 3Å; L161-L165 VanDerWaalsContact O-CB 3.3Å; L161-L165 WeakPolarHBondContact O-CB 3.4Å; L161-L165 PolarHBondContact O-N 3.46Å |
| 162 | V | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.1 | -42.7 | 176.3 | 170.6 | 0 | 0 | 0 | 0 | 110.2 | V129 Y142 V146 F149 A158 K164 L165 S166 | V129-V162 HydrophobicContact CG2-CG1 4.18Å; Y142-V162 HydrophobicContact CE2-CG1 4.35Å; Y142-V162 WeakPolarHBondContact OH-CG1 3.42Å; V146-V162 HydrophobicContact CG1-CG1 4.44Å; V146-V162 HydrophobicContact CG1-CG2 4.32Å; V146-V162 HydrophobicContact CG2-CG1 3.69Å; V146-V162 HydrophobicContact CG2-CG2 4.46Å; F149-V162 HydrophobicContact CB-CG2 3.78Å; F149-V162 HydrophobicContact CD1-CG2 4.32Å; F149-V162 HydrophobicContact CD2-CG2 3.79Å; F149-V162 HydrophobicContact CG-CG2 3.7Å; A158-V162 WeakPolarHBondContact O-CB 3.44Å; A158-V162 WeakPolarHBondContact O-CG2 3.31Å; A158-V162 PolarHBondContact O-N 3.16Å; V162-K164 VanDerWaalsContact C-N 3.33Å; V162-K164 PolarHBondContact O-N 2.69Å; V162-L165 WeakPolarHBondContact O-CB 3.33Å; V162-L165 PolarHBondContact O-N 3.46Å; V162-L165 VanDerWaalsContact O-N 3.13Å; V162-S166 VanDerWaalsContact O-CB 3.28Å; V162-S166 WeakPolarHBondContact O-CB 3.41Å; V162-S166 PolarHBondContact O-N 3.24Å; V162-S166 PolarHBondContact O-OG 3.21Å |
| 163 | E | 96.4 | Very high | 94.6 | Very high | 42 Ų | 42 | 25.9 Ų | 25.9 | 20% | 0.196 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -55.8 | -46.7 | 174 | -178.1 | 162.6 | -155.1 | 0 | 0 | 112.3 | V129 R132 N133 T159 L161 L165 S166 T167 | V129-E163 HydrophobicContact CG1-CB 4.45Å; V129-E163 HydrophobicContact CG2-CB 4.04Å; R132-E163 WeakPolarHBondContact CB-OE1 3.43Å; R132-E163 WeakPolarHBondContact CD-OE1 3.46Å; R132-E163 IonicContact NH1-OE2 3.8Å; R132-E163 PolarHBondContact NH1-OE2 3.5Å; R132-E163 VanDerWaalsContact NH1-OE2 3.1Å; N133-E163 PolarHBondContact ND2-OE1 2.95Å; T159-E163 VanDerWaalsContact O-CB 3.24Å; T159-E163 WeakPolarHBondContact O-CB 3.21Å; T159-E163 PolarHBondContact O-N 3.39Å; L161-E163 VanDerWaalsContact C-N 3.35Å; E163-L165 VanDerWaalsContact C-N 3.35Å; E163-S166 PolarHBondContact O-N 3.41Å; E163-T167 WeakPolarHBondContact O-CG2 3.21Å; E163-T167 PolarHBondContact O-N 3.38Å; E163-T167 VanDerWaalsContact O-N 3.14Å; E163-T167 PolarHBondContact O-OG1 2.8Å |
| 164 | K | 95.9 | Very high | 94.6 | Very high | 53 Ų | 53 | 25.4 Ų | 25.4 | 23% | 0.23 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 176.5 | -175.7 | 61.5 | 174.4 | 176.6 | 0 | 111.7 | L70 V72 A160 L161 V162 T167 H168 | L70-K164 HydrophobicContact CB-CG 4.34Å; L70-K164 WeakPolarHBondContact O-CE 3.41Å; L70-K164 WeakPolarHBondContact O-CG 3.42Å; V72-K164 HydrophobicContact CG2-CB 3.73Å; V72-K164 HydrophobicContact CG2-CG 3.82Å; A160-K164 PolarHBondContact O-N 3.09Å; A160-K164 VanDerWaalsContact O-N 3.15Å; L161-K164 PolarHBondContact O-N 3Å; V162-K164 VanDerWaalsContact C-N 3.33Å; V162-K164 PolarHBondContact O-N 2.69Å; K164-T167 PolarHBondContact O-OG1 3.49Å; K164-T167 VanDerWaalsContact O-OG1 3.07Å; K164-H168 PolarHBondContact NZ-CE1 3.17Å; K164-H168 PolarHBondContact NZ-NE2 3.09Å; K164-H168 PolarHBondContact O-N 3.47Å; K164-H168 PolarHBondContact O-ND1 3.49Å |
| 165 | L | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.5 | -42.8 | 179.2 | -167.1 | 72.3 | 0 | 0 | 0 | 111.5 | L70 I145 F149 L161 V162 E163 T167 H168 H169 L170 W220 L239 | L70-L165 HydrophobicContact CD2-CD1 3.9Å; I145-L165 HydrophobicContact CG2-CD2 4Å; F149-L165 HydrophobicContact CE2-CD2 3.61Å; F149-L165 HydrophobicContact CZ-CD2 3.79Å; L161-L165 VanDerWaalsContact O-CB 3.3Å; L161-L165 WeakPolarHBondContact O-CB 3.4Å; L161-L165 PolarHBondContact O-N 3.46Å; V162-L165 WeakPolarHBondContact O-CB 3.33Å; V162-L165 PolarHBondContact O-N 3.46Å; V162-L165 VanDerWaalsContact O-N 3.13Å; E163-L165 VanDerWaalsContact C-N 3.35Å; L165-T167 VanDerWaalsContact C-N 3.34Å; L165-T167 PolarHBondContact O-N 3.37Å; L165-H168 CarbonylContact O-C 3.56Å; L165-H168 PolarHBondContact O-N 2.88Å; L165-H168 VanDerWaalsContact O-N 3.15Å; L165-H169 HydrophobicContact CD1-CB 3.63Å; L165-H169 HydrophobicContact CG-CB 4.18Å; L165-H169 PolarHBondContact O-N 3.38Å; L165-L170 HydrophobicContact CD2-CD1 3.84Å; L165-L170 HydrophobicContact CD2-CG 4.22Å; L165-L170 HydrophobicContact CG-CD1 4.05Å; L165-L170 HydrophobicContact CG-CG 4.04Å; L165-L170 PolarHBondContact O-N 2.98Å; L165-W220 HydrophobicContact CD1-CH2 3.53Å; L165-W220 HydrophobicContact CD1-CZ2 4Å; L165-W220 HydrophobicContact CD1-CZ3 4.4Å; L165-W220 HydrophobicContact CD2-CH2 3.83Å; L165-W220 HydrophobicContact CD2-CZ2 4.31Å; L165-W220 HydrophobicContact CD2-CZ3 4.01Å; L165-W220 HydrophobicContact CG-CH2 4.22Å; L165-L239 HydrophobicContact CD1-CD2 3.87Å |
| 166 | S | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.7 | -31.8 | -178.9 | -63.1 | 0 | 0 | 0 | 0 | 113.6 | Y142 V162 E163 H168 R171 M174 | Y142-S166 VanDerWaalsContact CE2-OG 3.26Å; Y142-S166 WeakPolarHBondContact CE2-OG 3.4Å; Y142-S166 PolarHBondContact OH-OG 3.09Å; V162-S166 VanDerWaalsContact O-CB 3.28Å; V162-S166 WeakPolarHBondContact O-CB 3.41Å; V162-S166 PolarHBondContact O-N 3.24Å; V162-S166 PolarHBondContact O-OG 3.21Å; E163-S166 PolarHBondContact O-N 3.41Å; S166-H168 VanDerWaalsContact C-N 3.31Å; S166-R171 WeakPolarHBondContact O-CA 3.43Å; S166-R171 PolarHBondContact O-N 2.95Å; S166-M174 VanDerWaalsContact CB-SD 3.59Å |
| 167 | T | 94.6 | Very high | 94.1 | Very high | 39 Ų | 39 | 25.1 Ų | 25.1 | 24% | 0.239 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -6.3 | 174.9 | 50 | 0 | 0 | 0 | 0 | 113.9 | N133 L136 E163 K164 L165 | N133-T167 VanDerWaalsContact OD1-CG2 3.32Å; N133-T167 WeakPolarHBondContact OD1-CG2 3.45Å; L136-T167 HydrophobicContact CD1-CG2 4.28Å; E163-T167 WeakPolarHBondContact O-CG2 3.21Å; E163-T167 PolarHBondContact O-N 3.38Å; E163-T167 VanDerWaalsContact O-N 3.14Å; E163-T167 PolarHBondContact O-OG1 2.8Å; K164-T167 PolarHBondContact O-OG1 3.49Å; K164-T167 VanDerWaalsContact O-OG1 3.07Å; L165-T167 VanDerWaalsContact C-N 3.34Å; L165-T167 PolarHBondContact O-N 3.37Å |
| 168 | H | 90.8 | Very high | 93.5 | Very high | 52 Ų | 52 | 27.8 Ų | 27.8 | 24% | 0.241 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.1 | -77.9 | -176.2 | -61.7 | 62.8 | 0 | 0 | 0 | 111.6 | K164 L165 S166 R171 A316 F323 | K164-H168 PolarHBondContact NZ-CE1 3.17Å; K164-H168 PolarHBondContact NZ-NE2 3.09Å; K164-H168 PolarHBondContact O-N 3.47Å; K164-H168 PolarHBondContact O-ND1 3.49Å; L165-H168 CarbonylContact O-C 3.56Å; L165-H168 PolarHBondContact O-N 2.88Å; L165-H168 VanDerWaalsContact O-N 3.15Å; S166-H168 VanDerWaalsContact C-N 3.31Å; H168-R171 WeakPolarHBondContact O-CB 3.47Å; H168-A316 WeakPolarHBondContact O-CB 3.39Å; H168-F323 AromaticContact CD2-CD2 3.74Å |
| 169 | H | 91.2 | Very high | 92.8 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 3% | 0.032 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -37.3 | -171 | -65 | 66.7 | 0 | 0 | 0 | 112.6 | L165 W220 P243 | L165-H169 HydrophobicContact CD1-CB 3.63Å; L165-H169 HydrophobicContact CG-CB 4.18Å; L165-H169 PolarHBondContact O-N 3.38Å; H169-W220 HydrophobicContact CB-CZ2 4.18Å; H169-P243 HydrophobicContact CB-CB 4.43Å |
| 170 | L | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -99 | 1.3 | -178.2 | -45.5 | 172.9 | 0 | 0 | 0 | 112.7 | Y142 I145 L165 D172 F173 M174 W220 | Y142-L170 HydrophobicContact CD2-CD1 4.17Å; Y142-L170 HydrophobicContact CE2-CD1 3.87Å; I145-L170 HydrophobicContact CD1-CD1 3.71Å; I145-L170 HydrophobicContact CD1-CD2 3.59Å; I145-L170 HydrophobicContact CD1-CG 4.3Å; I145-L170 HydrophobicContact CG2-CD1 4.19Å; L165-L170 HydrophobicContact CD2-CD1 3.84Å; L165-L170 HydrophobicContact CD2-CG 4.22Å; L165-L170 HydrophobicContact CG-CD1 4.05Å; L165-L170 HydrophobicContact CG-CG 4.04Å; L165-L170 PolarHBondContact O-N 2.98Å; L170-D172 VanDerWaalsContact C-N 3.27Å; L170-D172 PolarHBondContact O-N 2.9Å; L170-F173 HydrophobicContact CB-CD2 4.12Å; L170-F173 HydrophobicContact CD2-CD2 3.87Å; L170-F173 HydrophobicContact CD2-CE2 4.01Å; L170-F173 WeakPolarHBondContact O-CA 3.37Å; L170-F173 WeakPolarHBondContact O-CB 3.28Å; L170-F173 PolarHBondContact O-N 3.36Å; L170-M174 WeakPolarHBondContact O-CG 3.3Å; L170-M174 PolarHBondContact O-N 3.46Å; L170-W220 HydrophobicContact CD2-CZ2 4.32Å |
| 171 | R | 93.6 | Very high | 91.7 | Very high | 96 Ų | 96 | 32.4 Ų | 32.4 | 36% | 0.362 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -53.7 | -46.2 | -172 | -177.8 | -125.9 | 173 | -166.4 | -0.3 | 111.8 | S166 H168 F173 M174 D175 Q314 | S166-R171 WeakPolarHBondContact O-CA 3.43Å; S166-R171 PolarHBondContact O-N 2.95Å; H168-R171 WeakPolarHBondContact O-CB 3.47Å; R171-F173 PolarHBondContact O-N 3.25Å; R171-M174 CarbonylContact O-C 3.24Å; R171-M174 PolarHBondContact O-N 2.83Å; R171-D175 PolarHBondContact O-N 2.87Å; R171-Q314 PolarHBondContact NH1-O 2.91Å |
| 172 | D | 90.6 | Very high | 91.1 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.011 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -67.6 | -23.6 | -179 | -65.7 | -4.5 | 0 | 0 | 0 | 112.7 | L170 M174 N180 T181 I184 T315 A316 | L170-D172 VanDerWaalsContact C-N 3.27Å; L170-D172 PolarHBondContact O-N 2.9Å; D172-M174 VanDerWaalsContact C-N 3.35Å; D172-N180 HydrophobicContact CB-CB 4.04Å; D172-T181 PolarHBondContact O-OG1 3.23Å; D172-I184 HydrophobicContact CB-CD1 3.73Å; D172-T315 WeakPolarHBondContact OD2-CB 3.4Å; D172-A316 PolarHBondContact OD1-N 3.01Å; D172-A316 WeakPolarHBondContact OD2-CB 3.49Å; D172-A316 PolarHBondContact OD2-N 2.7Å |
| 173 | F | 93 | Very high | 90.4 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 4% | 0.039 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -80.5 | -18.7 | 173.2 | -51.6 | -37.3 | 0 | 0 | 0 | 112.7 | Y139 L170 R171 M178 T181 I184 L217 I218 | Y139-F173 HydrophobicContact CD1-CB 4.06Å; Y139-F173 WeakPolarHBondContact CD1-O 3.33Å; Y139-F173 HydrophobicContact CE1-CB 3.67Å; L170-F173 HydrophobicContact CB-CD2 4.12Å; L170-F173 HydrophobicContact CD2-CD2 3.87Å; L170-F173 HydrophobicContact CD2-CE2 4.01Å; L170-F173 WeakPolarHBondContact O-CA 3.37Å; L170-F173 WeakPolarHBondContact O-CB 3.28Å; L170-F173 PolarHBondContact O-N 3.36Å; R171-F173 PolarHBondContact O-N 3.25Å; F173-M178 WeakPolarHBondContact O-CE 3.49Å; F173-T181 HydrophobicContact CD1-CG2 3.58Å; F173-T181 HydrophobicContact CE1-CG2 3.86Å; F173-I184 HydrophobicContact CD1-CD1 4.2Å; F173-I184 HydrophobicContact CE1-CD1 3.54Å; F173-I184 HydrophobicContact CZ-CD1 4.15Å; F173-L217 HydrophobicContact CZ-CB 4.19Å; F173-I218 HydrophobicContact CD1-CG2 4.15Å; F173-I218 HydrophobicContact CE1-CG2 4.49Å; F173-I218 HydrophobicContact CG-CG2 4.16Å |
| 174 | M | 94.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -102.7 | 16 | -177.9 | -60.8 | -170.8 | 86.1 | 0 | 0 | 112.6 | L130 L136 H137 Y139 Y142 S166 L170 R171 D172 | L130-M174 HydrophobicContact CD2-CE 3.62Å; L136-M174 HydrophobicContact CB-CB 4.2Å; L136-M174 HydrophobicContact CB-CE 3.96Å; L136-M174 HydrophobicContact CB-SD 4.3Å; L136-M174 HydrophobicContact CD1-CE 4.3Å; L136-M174 HydrophobicContact CD1-SD 4.01Å; L136-M174 HydrophobicContact CD2-CB 3.95Å; L136-M174 HydrophobicContact CD2-SD 4.36Å; L136-M174 HydrophobicContact CG-SD 4.46Å; H137-M174 WeakPolarHBondContact CB-O 3.19Å; H137-M174 PolarHBondContact N-O 2.86Å; H137-M174 PolarHBondContact ND1-O 3.47Å; H137-M174 WeakPolarHBondContact O-CA 3.42Å; H137-M174 WeakPolarHBondContact O-CB 3.02Å; Y139-M174 HydrophobicContact CD1-CG 3.77Å; Y139-M174 HydrophobicContact CE1-CG 3.62Å; Y142-M174 HydrophobicContact CD1-CE 4.37Å; Y142-M174 HydrophobicContact CD2-CE 4.32Å; Y142-M174 HydrophobicContact CD2-SD 4.38Å; Y142-M174 HydrophobicContact CE1-CE 4.12Å; Y142-M174 HydrophobicContact CE2-CE 4.08Å; Y142-M174 HydrophobicContact CE2-SD 4Å; Y142-M174 HydrophobicContact CG-CE 4.45Å; S166-M174 VanDerWaalsContact CB-SD 3.59Å; L170-M174 WeakPolarHBondContact O-CG 3.3Å; L170-M174 PolarHBondContact O-N 3.46Å; R171-M174 CarbonylContact O-C 3.24Å; R171-M174 PolarHBondContact O-N 2.83Å; D172-M174 VanDerWaalsContact C-N 3.35Å |
| 175 | D | 91.1 | Very high | 89.7 | Confident | 29 Ų | 29 | 34.3 Ų | 34.3 | 16% | 0.155 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -72.8 | 159.6 | 170 | -83.3 | -40 | 0 | 0 | 0 | 111.4 | R171 T177 N180 | R171-D175 PolarHBondContact O-N 2.87Å; D175-T177 PolarHBondContact O-N 2.89Å; D175-T177 VanDerWaalsContact O-N 3.11Å; D175-N180 PolarHBondContact OD2-ND2 2.84Å |
| 176 | P | 89.5 | Confident | 89.2 | Confident | 92 Ų | 92 | 37.2 Ų | 37.2 | 60% | 0.597 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -58.2 | -26.4 | 179.8 | -18 | 24.7 | 0 | 0 | 0 | 113.8 | ||
| 177 | T | 88 | Confident | 88.9 | Confident | 74 Ų | 74 | 37.5 Ų | 37.5 | 45% | 0.454 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -123.4 | 154.3 | 176.7 | 76.6 | 0 | 0 | 0 | 0 | 110.5 | D175 D179 | D175-T177 PolarHBondContact O-N 2.89Å; D175-T177 VanDerWaalsContact O-N 3.11Å; T177-D179 WeakPolarHBondContact CB-OD2 3.22Å; T177-D179 PolarHBondContact O-N 2.93Å; T177-D179 PolarHBondContact OG1-OD2 3.49Å |
| 178 | M | 83.4 | Confident | 88.9 | Confident | 69 Ų | 69 | 35.7 Ų | 35.7 | 34% | 0.34 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 12.5 | 178.1 | -70.5 | -70.4 | 137.8 | 0 | 0 | 113.4 | Y139 F173 N180 T181 K182 | Y139-M178 HydrophobicContact CG-CE 4.46Å; F173-M178 WeakPolarHBondContact O-CE 3.49Å; M178-N180 PolarHBondContact O-N 2.89Å; M178-T181 WeakPolarHBondContact O-CB 3.32Å; M178-T181 PolarHBondContact O-N 2.81Å; M178-T181 HydrophobicContact SD-CG2 4.44Å; M178-T181 PolarHBondContact SD-OG1 3.07Å; M178-K182 WeakPolarHBondContact O-CG 3.37Å; M178-K182 PolarHBondContact O-N 3.11Å |
| 179 | D | 81.7 | Confident | 88.9 | Confident | 86 Ų | 86 | 34.6 Ų | 34.6 | 46% | 0.46 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -69.2 | -36.5 | -173.4 | -60.7 | -39.2 | 0 | 0 | 0 | 111.7 | T177 K182 H183 | T177-D179 WeakPolarHBondContact CB-OD2 3.22Å; T177-D179 PolarHBondContact O-N 2.93Å; T177-D179 PolarHBondContact OG1-OD2 3.49Å; D179-K182 WeakPolarHBondContact O-CB 3.47Å; D179-K182 PolarHBondContact O-N 3.47Å; D179-K182 IonicContact OD1-NZ 3.7Å; D179-K182 PolarHBondContact OD1-NZ 3.23Å; D179-H183 PolarHBondContact O-N 3.47Å |
| 180 | N | 84.2 | Confident | 89 | Confident | 29 Ų | 29 | 35.3 Ų | 35.3 | 16% | 0.155 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.2 | -37.9 | 173.1 | -72.2 | -24.6 | 0 | 0 | 0 | 111.8 | D172 D175 M178 K182 H183 I184 | D172-N180 HydrophobicContact CB-CB 4.04Å; D175-N180 PolarHBondContact OD2-ND2 2.84Å; M178-N180 PolarHBondContact O-N 2.89Å; N180-K182 VanDerWaalsContact C-N 3.35Å; N180-K182 PolarHBondContact O-N 2.93Å; N180-H183 WeakPolarHBondContact O-CB 3.42Å; N180-H183 PolarHBondContact O-N 3.12Å; N180-H183 VanDerWaalsContact O-N 3.16Å; N180-I184 WeakPolarHBondContact O-CG1 3.41Å; N180-I184 PolarHBondContact O-N 3.23Å |
| 181 | T | 85.5 | Confident | 89 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.9 | -43.9 | 171.1 | -47.6 | 0 | 0 | 0 | 0 | 112 | D172 F173 M178 H183 I184 L185 L214 I218 | D172-T181 PolarHBondContact O-OG1 3.23Å; F173-T181 HydrophobicContact CD1-CG2 3.58Å; F173-T181 HydrophobicContact CE1-CG2 3.86Å; M178-T181 WeakPolarHBondContact O-CB 3.32Å; M178-T181 PolarHBondContact O-N 2.81Å; M178-T181 HydrophobicContact SD-CG2 4.44Å; M178-T181 PolarHBondContact SD-OG1 3.07Å; T181-H183 VanDerWaalsContact C-N 3.31Å; T181-H183 PolarHBondContact O-N 3.15Å; T181-I184 PolarHBondContact O-N 3.4Å; T181-L185 PolarHBondContact O-N 3.32Å; T181-L214 HydrophobicContact CG2-CD1 3.25Å; T181-I218 HydrophobicContact CG2-CG2 3.88Å |
| 182 | K | 83.3 | Confident | 89.1 | Confident | 101 Ų | 101 | 30.7 Ų | 30.7 | 44% | 0.439 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.1 | -39.7 | 174.1 | -69.6 | 171.2 | -169.8 | 162.4 | 0 | 111.5 | M178 D179 N180 I184 L185 N186 | M178-K182 WeakPolarHBondContact O-CG 3.37Å; M178-K182 PolarHBondContact O-N 3.11Å; D179-K182 WeakPolarHBondContact O-CB 3.47Å; D179-K182 PolarHBondContact O-N 3.47Å; D179-K182 IonicContact OD1-NZ 3.7Å; D179-K182 PolarHBondContact OD1-NZ 3.23Å; N180-K182 VanDerWaalsContact C-N 3.35Å; N180-K182 PolarHBondContact O-N 2.93Å; K182-I184 VanDerWaalsContact C-N 3.31Å; K182-I184 PolarHBondContact O-N 3.23Å; K182-L185 WeakPolarHBondContact O-CB 3.24Å; K182-L185 PolarHBondContact O-N 3.14Å; K182-L185 VanDerWaalsContact O-N 3.11Å; K182-N186 PolarHBondContact O-N 3.27Å; K182-N186 PolarHBondContact O-OD1 2.92Å |
| 183 | H | 83.4 | Confident | 89.3 | Confident | 25 Ų | 25 | 34.8 Ų | 34.8 | 12% | 0.116 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61 | -40.4 | 175.6 | -178.2 | 80.5 | 0 | 0 | 0 | 111.8 | D179 N180 T181 L185 N186 Y187 | D179-H183 PolarHBondContact O-N 3.47Å; N180-H183 WeakPolarHBondContact O-CB 3.42Å; N180-H183 PolarHBondContact O-N 3.12Å; N180-H183 VanDerWaalsContact O-N 3.16Å; T181-H183 VanDerWaalsContact C-N 3.31Å; T181-H183 PolarHBondContact O-N 3.15Å; H183-L185 VanDerWaalsContact C-N 3.32Å; H183-L185 PolarHBondContact O-N 2.96Å; H183-N186 WeakPolarHBondContact O-CB 3.31Å; H183-N186 PolarHBondContact O-N 3.16Å; H183-Y187 AromaticContact CD2-CE2 3.8Å; H183-Y187 AromaticContact NE2-CE2 3.61Å; H183-Y187 AromaticContact NE2-CZ 3.92Å; H183-Y187 PolarHBondContact NE2-OH 2.67Å; H183-Y187 VanDerWaalsContact O-CD2 3.29Å; H183-Y187 WeakPolarHBondContact O-CD2 3.27Å; H183-Y187 WeakPolarHBondContact O-CE2 3.28Å |
| 184 | I | 88.8 | Confident | 89.3 | Confident | 9 Ų | 9 | 40 Ų | 40 | 5% | 0.046 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.2 | -40.4 | 173.5 | -66.6 | 167.9 | 0 | 0 | 0 | 111.1 | D172 F173 N180 T181 K182 N186 Y187 L217 L244 | D172-I184 HydrophobicContact CB-CD1 3.73Å; F173-I184 HydrophobicContact CD1-CD1 4.2Å; F173-I184 HydrophobicContact CE1-CD1 3.54Å; F173-I184 HydrophobicContact CZ-CD1 4.15Å; N180-I184 WeakPolarHBondContact O-CG1 3.41Å; N180-I184 PolarHBondContact O-N 3.23Å; T181-I184 PolarHBondContact O-N 3.4Å; K182-I184 VanDerWaalsContact C-N 3.31Å; K182-I184 PolarHBondContact O-N 3.23Å; I184-N186 PolarHBondContact O-N 3.47Å; I184-Y187 WeakPolarHBondContact O-CD2 3.43Å; I184-Y187 PolarHBondContact O-N 3.31Å; I184-L217 HydrophobicContact CG2-CD2 3.55Å; I184-L244 HydrophobicContact CB-CD2 4.46Å; I184-L244 HydrophobicContact CG1-CD2 4.05Å; I184-L244 HydrophobicContact CG2-CD2 3.81Å |
| 185 | L | 89.4 | Confident | 89.3 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.6 | -28 | 176.8 | -71.2 | 171.5 | 0 | 0 | 0 | 113.2 | T181 K182 H183 Y187 L188 I211 A213 L214 L217 I247 | T181-L185 PolarHBondContact O-N 3.32Å; K182-L185 WeakPolarHBondContact O-CB 3.24Å; K182-L185 PolarHBondContact O-N 3.14Å; K182-L185 VanDerWaalsContact O-N 3.11Å; H183-L185 VanDerWaalsContact C-N 3.32Å; H183-L185 PolarHBondContact O-N 2.96Å; L185-Y187 PolarHBondContact O-N 2.9Å; L185-L188 WeakPolarHBondContact O-CB 3.29Å; L185-L188 PolarHBondContact O-N 3.21Å; L185-I211 HydrophobicContact CD1-CD1 4.35Å; L185-A213 HydrophobicContact CD2-CB 3.97Å; L185-L214 HydrophobicContact CD1-CB 3.94Å; L185-L214 HydrophobicContact CD1-CD1 3.92Å; L185-L214 HydrophobicContact CD1-CG 4.49Å; L185-L217 HydrophobicContact CD2-CD1 4.23Å; L185-L217 HydrophobicContact CD2-CD2 4.03Å; L185-I247 HydrophobicContact CD2-CD1 4.21Å |
| 186 | N | 85.9 | Confident | 89.6 | Confident | 62 Ų | 62 | 43.1 Ų | 43.1 | 33% | 0.332 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -13.5 | 178.6 | -69.1 | -13 | 0 | 0 | 0 | 113.6 | K182 H183 I184 L188 P190 | K182-N186 PolarHBondContact O-N 3.27Å; K182-N186 PolarHBondContact O-OD1 2.92Å; H183-N186 WeakPolarHBondContact O-CB 3.31Å; H183-N186 PolarHBondContact O-N 3.16Å; I184-N186 PolarHBondContact O-N 3.47Å; N186-L188 PolarHBondContact O-N 2.79Å; N186-P190 WeakPolarHBondContact O-CD 3.32Å |
| 187 | Y | 90.4 | Very high | 90 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 2% | 0.024 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -17.1 | 170.8 | -69.5 | -100.7 | 0 | 0 | 0 | 112.3 | H183 I184 L185 I191 L244 L303 A304 A307 | H183-Y187 AromaticContact CD2-CE2 3.8Å; H183-Y187 AromaticContact NE2-CE2 3.61Å; H183-Y187 AromaticContact NE2-CZ 3.92Å; H183-Y187 PolarHBondContact NE2-OH 2.67Å; H183-Y187 VanDerWaalsContact O-CD2 3.29Å; H183-Y187 WeakPolarHBondContact O-CD2 3.27Å; H183-Y187 WeakPolarHBondContact O-CE2 3.28Å; I184-Y187 WeakPolarHBondContact O-CD2 3.43Å; I184-Y187 PolarHBondContact O-N 3.31Å; L185-Y187 PolarHBondContact O-N 2.9Å; Y187-I191 VanDerWaalsContact O-CD1 3.22Å; Y187-I191 WeakPolarHBondContact O-CD1 3.41Å; Y187-I191 WeakPolarHBondContact O-CG1 3.31Å; Y187-I191 PolarHBondContact O-N 3.49Å; Y187-L244 HydrophobicContact CE1-CD1 4.45Å; Y187-L303 HydrophobicContact CD1-CB 3.73Å; Y187-L303 HydrophobicContact CD1-CD1 4.23Å; Y187-L303 HydrophobicContact CE1-CB 3.99Å; Y187-A304 HydrophobicContact CE1-CB 4.21Å; Y187-A304 WeakPolarHBondContact OH-CB 3.43Å; Y187-A307 HydrophobicContact CE1-CB 4.47Å; Y187-A307 HydrophobicContact CE2-CB 4.47Å |
| 188 | L | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.9 | -52.9 | -176 | -171.1 | 56.3 | 0 | 0 | 0 | 112.8 | L185 N186 I191 I192 T210 F212 A213 I247 A250 A251 | L185-L188 WeakPolarHBondContact O-CB 3.29Å; L185-L188 PolarHBondContact O-N 3.21Å; N186-L188 PolarHBondContact O-N 2.79Å; L188-I191 PolarHBondContact O-N 3.29Å; L188-I192 HydrophobicContact CD1-CD1 4.04Å; L188-I192 HydrophobicContact CD1-CG1 4.49Å; L188-I192 HydrophobicContact CG-CD1 3.86Å; L188-I192 WeakPolarHBondContact O-CG1 3.42Å; L188-I192 PolarHBondContact O-N 3.29Å; L188-I192 VanDerWaalsContact O-N 3.07Å; L188-T210 HydrophobicContact CB-CG2 4.13Å; L188-T210 HydrophobicContact CD2-CG2 4.23Å; L188-F212 HydrophobicContact CD2-CE1 4.47Å; L188-F212 HydrophobicContact CD2-CE2 4.19Å; L188-F212 HydrophobicContact CD2-CZ 3.7Å; L188-A213 HydrophobicContact CD2-CB 3.98Å; L188-I247 HydrophobicContact CB-CD1 4.03Å; L188-I247 HydrophobicContact CB-CG1 4.31Å; L188-I247 HydrophobicContact CD1-CD1 4.47Å; L188-A250 HydrophobicContact CD1-CB 4.26Å; L188-A251 HydrophobicContact CD1-CB 3.69Å |
| 189 | M | 92 | Very high | 91.1 | Very high | 30 Ų | 30 | 41.6 Ų | 41.6 | 15% | 0.148 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.3 | -45 | -174.6 | -66.4 | -59.5 | -71.6 | 0 | 0 | 112.8 | I191 I192 E193 M203 Q204 T210 | M189-I191 VanDerWaalsContact C-N 3.31Å; M189-I191 PolarHBondContact O-N 3.25Å; M189-I192 PolarHBondContact O-N 3.29Å; M189-I192 HydrophobicContact SD-CD1 4.48Å; M189-E193 WeakPolarHBondContact O-CB 3.4Å; M189-E193 PolarHBondContact O-N 3.45Å; M189-M203 HydrophobicContact CE-CB 3.97Å; M189-M203 HydrophobicContact SD-CE 3.95Å; M189-Q204 HydrophobicContact CE-CG 3.8Å; M189-T210 HydrophobicContact CG-CG2 3.74Å; M189-T210 HydrophobicContact SD-CG2 4.38Å |
| 190 | P | 91.9 | Very high | 91.9 | Very high | 21 Ų | 21 | 37.8 Ų | 37.8 | 14% | 0.136 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.7 | -35.7 | 174.7 | -26.2 | 36.1 | 0 | 0 | 0 | 113.8 | N186 R194 L303 | N186-P190 WeakPolarHBondContact O-CD 3.32Å; P190-R194 WeakPolarHBondContact O-CG 3.49Å; P190-R194 PolarHBondContact O-N 3.44Å; P190-L303 HydrophobicContact CB-CD2 4.17Å |
| 191 | I | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.7 | -43.5 | 176 | -65.5 | 164.7 | 0 | 0 | 0 | 110.3 | Y187 L188 M189 I195 I247 Y248 A251 L294 L303 | Y187-I191 VanDerWaalsContact O-CD1 3.22Å; Y187-I191 WeakPolarHBondContact O-CD1 3.41Å; Y187-I191 WeakPolarHBondContact O-CG1 3.31Å; Y187-I191 PolarHBondContact O-N 3.49Å; L188-I191 PolarHBondContact O-N 3.29Å; M189-I191 VanDerWaalsContact C-N 3.31Å; M189-I191 PolarHBondContact O-N 3.25Å; I191-I195 PolarHBondContact O-N 3.09Å; I191-I247 HydrophobicContact CD1-CG2 4.11Å; I191-Y248 HydrophobicContact CD1-CD1 3.81Å; I191-Y248 HydrophobicContact CD1-CD2 4.44Å; I191-Y248 HydrophobicContact CD1-CE1 3.7Å; I191-Y248 HydrophobicContact CD1-CE2 4.32Å; I191-Y248 HydrophobicContact CD1-CG 4.18Å; I191-Y248 HydrophobicContact CG1-CE1 4.22Å; I191-A251 HydrophobicContact CB-CB 4.13Å; I191-A251 HydrophobicContact CG2-CB 3.54Å; I191-L294 HydrophobicContact CG2-CD1 3.89Å; I191-L303 HydrophobicContact CD1-CD1 3.93Å; I191-L303 HydrophobicContact CG1-CD1 3.51Å |
| 192 | I | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.4 | -47.7 | 178.2 | -64.6 | 168.4 | 0 | 0 | 0 | 110 | L188 M189 R194 I195 N196 V199 H200 M203 A251 V254 L255 | L188-I192 HydrophobicContact CD1-CD1 4.04Å; L188-I192 HydrophobicContact CD1-CG1 4.49Å; L188-I192 HydrophobicContact CG-CD1 3.86Å; L188-I192 WeakPolarHBondContact O-CG1 3.42Å; L188-I192 PolarHBondContact O-N 3.29Å; L188-I192 VanDerWaalsContact O-N 3.07Å; M189-I192 PolarHBondContact O-N 3.29Å; M189-I192 HydrophobicContact SD-CD1 4.48Å; I192-R194 VanDerWaalsContact C-N 3.26Å; I192-R194 PolarHBondContact O-N 3.04Å; I192-I195 PolarHBondContact O-N 3.38Å; I192-N196 CarbonylContact O-C 3.52Å; I192-N196 PolarHBondContact O-N 2.93Å; I192-V199 HydrophobicContact CG2-CB 4.25Å; I192-V199 HydrophobicContact CG2-CG1 3.92Å; I192-H200 HydrophobicContact CG2-CB 4.07Å; I192-M203 HydrophobicContact CD1-CE 4.27Å; I192-M203 HydrophobicContact CD1-SD 4.1Å; I192-A251 HydrophobicContact CG1-CB 4.48Å; I192-V254 HydrophobicContact CD1-CB 4.19Å; I192-V254 HydrophobicContact CD1-CG1 3.85Å; I192-L255 HydrophobicContact CG2-CD2 4.11Å |
| 193 | E | 94.9 | Very high | 93.5 | Very high | 88 Ų | 88 | 37.4 Ų | 37.4 | 41% | 0.411 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -52.8 | -43 | 179 | -171.4 | -175.1 | -176.3 | 0 | 0 | 112.3 | M189 I195 P197 H200 | M189-E193 WeakPolarHBondContact O-CB 3.4Å; M189-E193 PolarHBondContact O-N 3.45Å; E193-I195 VanDerWaalsContact C-N 3.3Å; E193-I195 PolarHBondContact O-N 2.97Å; E193-P197 WeakPolarHBondContact O-CD 3.48Å; E193-P197 WeakPolarHBondContact O-CG 3.33Å; E193-H200 HydrophobicContact CB-CB 4.13Å |
| 194 | R | 92.9 | Very high | 94 | Very high | 117 Ų | 117 | 41.7 Ų | 41.7 | 44% | 0.442 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -69 | -27.6 | -178.5 | -68.2 | -70.8 | -176.6 | 121.1 | 7.5 | 113.7 | P190 I192 F298 E306 | P190-R194 WeakPolarHBondContact O-CG 3.49Å; P190-R194 PolarHBondContact O-N 3.44Å; I192-R194 VanDerWaalsContact C-N 3.26Å; I192-R194 PolarHBondContact O-N 3.04Å; R194-F298 HydrophobicContact CB-CD1 4.28Å; R194-F298 HydrophobicContact CB-CE1 3.75Å; R194-F298 HydrophobicContact CB-CE2 4.14Å; R194-F298 HydrophobicContact CB-CZ 3.67Å; R194-F298 HydrophobicContact CG-CD1 4.17Å; R194-F298 HydrophobicContact CG-CE1 3.95Å; R194-F298 HydrophobicContact CG-CZ 4.38Å; R194-E306 VanDerWaalsContact NH2-CD 3.29Å; R194-E306 IonicContact NH2-OE1 2.82Å; R194-E306 PolarHBondContact NH2-OE1 2.89Å; R194-E306 IonicContact NH2-OE2 2.98Å; R194-E306 PolarHBondContact NH2-OE2 3.06Å |
| 195 | I | 95.9 | Very high | 94.2 | Very high | 72 Ų | 72 | 48.4 Ų | 48.4 | 37% | 0.369 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -97.1 | -48.2 | -176.9 | -64.3 | -57.6 | 0 | 0 | 0 | 111.6 | I191 I192 E193 L255 L294 F298 | I191-I195 PolarHBondContact O-N 3.09Å; I192-I195 PolarHBondContact O-N 3.38Å; E193-I195 VanDerWaalsContact C-N 3.3Å; E193-I195 PolarHBondContact O-N 2.97Å; I195-L255 HydrophobicContact CB-CD1 3.85Å; I195-L255 HydrophobicContact CB-CD2 4.13Å; I195-L255 HydrophobicContact CG1-CD1 4.15Å; I195-L255 HydrophobicContact CG2-CD1 3.77Å; I195-L255 HydrophobicContact CG2-CD2 3.93Å; I195-L255 HydrophobicContact CG2-CG 4.42Å; I195-L294 HydrophobicContact CD1-CD2 3.49Å; I195-L294 VanDerWaalsContact CD1-CD2 3.49Å; I195-L294 HydrophobicContact CG1-CD2 3.58Å; I195-F298 HydrophobicContact CD1-CE2 3.57Å; I195-F298 HydrophobicContact CD1-CZ 4.1Å; I195-F298 HydrophobicContact CG1-CE2 4.16Å |
| 196 | N | 97.1 | Very high | 94.3 | Very high | 24 Ų | 24 | 48.6 Ų | 48.6 | 13% | 0.128 | 24% | 0.238 | C | C | . | . | trans | -138.5 | 91.3 | 180 | -168.3 | -26.2 | 0 | 0 | 0 | 109.9 | I192 E198 V199 H200 L255 E258 | I192-N196 CarbonylContact O-C 3.52Å; I192-N196 PolarHBondContact O-N 2.93Å; N196-E198 PolarHBondContact O-N 2.99Å; N196-E198 WeakPolarHBondContact OD1-CB 3.43Å; N196-E198 PolarHBondContact OD1-N 3.01Å; N196-E198 VanDerWaalsContact OD1-N 3.07Å; N196-V199 HydrophobicContact CB-CB 4.26Å; N196-V199 HydrophobicContact CB-CG2 4.22Å; N196-V199 WeakPolarHBondContact ND2-CG2 3.36Å; N196-V199 PolarHBondContact O-N 3.2Å; N196-V199 PolarHBondContact OD1-N 3.35Å; N196-V199 VanDerWaalsContact OD1-N 3.16Å; N196-H200 PolarHBondContact O-N 2.94Å; N196-H200 VanDerWaalsContact O-N 3.16Å; N196-L255 HydrophobicContact CB-CD2 3.66Å; N196-E258 PolarHBondContact ND2-OE2 3.23Å | ||
| 197 | P | 97.1 | Very high | 94.5 | Very high | 72 Ų | 72 | 53.4 Ų | 53.4 | 47% | 0.468 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.9 | -30.5 | 175.7 | -22.5 | 31 | 0 | 0 | 0 | 113.5 | E193 H200 D201 | E193-P197 WeakPolarHBondContact O-CD 3.48Å; E193-P197 WeakPolarHBondContact O-CG 3.33Å; P197-H200 WeakPolarHBondContact O-CB 3.15Å; P197-H200 PolarHBondContact O-N 3.31Å; P197-D201 WeakPolarHBondContact O-CB 3.49Å; P197-D201 PolarHBondContact O-N 2.88Å |
| 198 | E | 97.9 | Very high | 94.6 | Very high | 131 Ų | 131 | 53.4 Ų | 53.4 | 61% | 0.612 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -67 | -46.4 | -179.1 | -174.9 | 176.6 | -167.8 | 0 | 0 | 111.2 | N196 H200 D201 F202 L262 | N196-E198 PolarHBondContact O-N 2.99Å; N196-E198 WeakPolarHBondContact OD1-CB 3.43Å; N196-E198 PolarHBondContact OD1-N 3.01Å; N196-E198 VanDerWaalsContact OD1-N 3.07Å; E198-H200 VanDerWaalsContact C-N 3.33Å; E198-H200 PolarHBondContact O-N 2.86Å; E198-D201 PolarHBondContact O-N 3.03Å; E198-F202 WeakPolarHBondContact O-CB 3.42Å; E198-F202 PolarHBondContact O-N 3.28Å; E198-L262 HydrophobicContact CG-CD1 4.15Å; E198-L262 HydrophobicContact CG-CD2 3.98Å |
| 199 | V | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 174 | 173.1 | 0 | 0 | 0 | 0 | 111 | I192 N196 M203 V254 E258 V261 L262 | I192-V199 HydrophobicContact CG2-CB 4.25Å; I192-V199 HydrophobicContact CG2-CG1 3.92Å; N196-V199 HydrophobicContact CB-CB 4.26Å; N196-V199 HydrophobicContact CB-CG2 4.22Å; N196-V199 WeakPolarHBondContact ND2-CG2 3.36Å; N196-V199 PolarHBondContact O-N 3.2Å; N196-V199 PolarHBondContact OD1-N 3.35Å; N196-V199 VanDerWaalsContact OD1-N 3.16Å; V199-M203 HydrophobicContact CG1-CG 4.35Å; V199-M203 HydrophobicContact CG1-SD 3.86Å; V199-M203 WeakPolarHBondContact O-CB 3.43Å; V199-M203 VanDerWaalsContact O-CG 3.25Å; V199-M203 WeakPolarHBondContact O-CG 3.46Å; V199-M203 PolarHBondContact O-N 3.49Å; V199-V254 HydrophobicContact CG1-CG1 4.35Å; V199-E258 HydrophobicContact CG2-CB 3.55Å; V199-V261 HydrophobicContact CG1-CG1 4.31Å; V199-L262 HydrophobicContact CG2-CD1 4.15Å; V199-L262 HydrophobicContact CG2-CD2 4.31Å; V199-L262 HydrophobicContact CG2-CG 4.15Å |
| 200 | H | 96.9 | Very high | 94.4 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 3% | 0.032 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.2 | -51.9 | 176.1 | 166.9 | -89.2 | 0 | 0 | 0 | 111.8 | I192 E193 N196 P197 E198 F202 M203 Q204 | I192-H200 HydrophobicContact CG2-CB 4.07Å; E193-H200 HydrophobicContact CB-CB 4.13Å; N196-H200 PolarHBondContact O-N 2.94Å; N196-H200 VanDerWaalsContact O-N 3.16Å; P197-H200 WeakPolarHBondContact O-CB 3.15Å; P197-H200 PolarHBondContact O-N 3.31Å; E198-H200 VanDerWaalsContact C-N 3.33Å; E198-H200 PolarHBondContact O-N 2.86Å; H200-F202 VanDerWaalsContact C-N 3.34Å; H200-F202 PolarHBondContact O-N 3.5Å; H200-M203 PolarHBondContact O-N 3.29Å; H200-Q204 PolarHBondContact CE1-NE2 2.93Å; H200-Q204 PolarHBondContact CE1-OE1 3.12Å; H200-Q204 PolarHBondContact NE2-NE2 3.46Å; H200-Q204 VanDerWaalsContact NE2-NE2 3.11Å; H200-Q204 WeakPolarHBondContact O-CG 3.37Å; H200-Q204 PolarHBondContact O-N 2.89Å |
| 201 | D | 96.7 | Very high | 94.2 | Very high | 91 Ų | 91 | 58.1 Ų | 58.1 | 49% | 0.487 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.2 | -39.5 | -177 | -69.7 | -5.5 | 0 | 0 | 0 | 111.1 | P197 E198 Q204 Q205 | P197-D201 WeakPolarHBondContact O-CB 3.49Å; P197-D201 PolarHBondContact O-N 2.88Å; E198-D201 PolarHBondContact O-N 3.03Å; D201-Q204 PolarHBondContact O-N 2.99Å; D201-Q205 WeakPolarHBondContact O-CB 3.41Å; D201-Q205 PolarHBondContact O-N 2.95Å |
| 202 | F | 97.3 | Very high | 94.1 | Very high | 29 Ų | 29 | 58.3 Ų | 58.3 | 13% | 0.127 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.2 | -48 | 173 | -176.6 | -87.4 | 0 | 0 | 0 | 111.7 | E198 H200 Q204 Q205 A206 V261 L262 C264 C266 V271 | E198-F202 WeakPolarHBondContact O-CB 3.42Å; E198-F202 PolarHBondContact O-N 3.28Å; H200-F202 VanDerWaalsContact C-N 3.34Å; H200-F202 PolarHBondContact O-N 3.5Å; F202-Q204 VanDerWaalsContact C-N 3.32Å; F202-Q204 PolarHBondContact O-N 3Å; F202-Q205 PolarHBondContact O-N 3.18Å; F202-A206 WeakPolarHBondContact O-CB 3.44Å; F202-A206 PolarHBondContact O-N 2.99Å; F202-V261 HydrophobicContact CD1-CG1 3.83Å; F202-V261 HydrophobicContact CE1-CG1 4.08Å; F202-V261 WeakPolarHBondContact CE1-O 3.39Å; F202-V261 VanDerWaalsContact CZ-O 3.27Å; F202-V261 WeakPolarHBondContact CZ-O 3.42Å; F202-L262 HydrophobicContact CB-CD2 3.77Å; F202-L262 HydrophobicContact CD2-CD2 4.15Å; F202-L262 HydrophobicContact CG-CD2 3.94Å; F202-C264 HydrophobicContact CZ-CB 4.48Å; F202-C264 WeakPolarHBondContact CZ-O 3.29Å; F202-C266 HydrophobicContact CD2-CB 4.39Å; F202-C266 HydrophobicContact CE2-CB 3.62Å; F202-C266 HydrophobicContact CZ-CB 3.74Å; F202-V271 HydrophobicContact CE1-CG2 3.73Å |
| 203 | M | 93.8 | Very high | 94 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.5 | -35 | 177.5 | -73.2 | 177.5 | 67.6 | 0 | 0 | 112.6 | M189 I192 V199 H200 E207 V208 F212 V254 V261 L275 | M189-M203 HydrophobicContact CE-CB 3.97Å; M189-M203 HydrophobicContact SD-CE 3.95Å; I192-M203 HydrophobicContact CD1-CE 4.27Å; I192-M203 HydrophobicContact CD1-SD 4.1Å; V199-M203 HydrophobicContact CG1-CG 4.35Å; V199-M203 HydrophobicContact CG1-SD 3.86Å; V199-M203 WeakPolarHBondContact O-CB 3.43Å; V199-M203 VanDerWaalsContact O-CG 3.25Å; V199-M203 WeakPolarHBondContact O-CG 3.46Å; V199-M203 PolarHBondContact O-N 3.49Å; H200-M203 PolarHBondContact O-N 3.29Å; M203-E207 PolarHBondContact O-N 3.02Å; M203-V208 HydrophobicContact CB-CG1 4.03Å; M203-V208 HydrophobicContact CE-CG1 3.96Å; M203-V208 HydrophobicContact CG-CG1 4.3Å; M203-V208 PolarHBondContact O-N 3Å; M203-F212 HydrophobicContact CE-CE1 3.72Å; M203-F212 HydrophobicContact CE-CZ 3.8Å; M203-V254 HydrophobicContact CE-CG1 4.41Å; M203-V254 HydrophobicContact SD-CG1 3.83Å; M203-V261 HydrophobicContact CG-CG1 4.22Å; M203-L275 HydrophobicContact CE-CD1 4.06Å |
| 204 | Q | 92.8 | Very high | 93.9 | Very high | 115 Ų | 115 | 56.2 Ų | 56.2 | 54% | 0.537 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.1 | -45.3 | 172.7 | -75.9 | -160.7 | -24.7 | 0 | 0 | 111.6 | M189 H200 D201 F202 A206 E207 | M189-Q204 HydrophobicContact CE-CG 3.8Å; H200-Q204 PolarHBondContact CE1-NE2 2.93Å; H200-Q204 PolarHBondContact CE1-OE1 3.12Å; H200-Q204 PolarHBondContact NE2-NE2 3.46Å; H200-Q204 VanDerWaalsContact NE2-NE2 3.11Å; H200-Q204 WeakPolarHBondContact O-CG 3.37Å; H200-Q204 PolarHBondContact O-N 2.89Å; D201-Q204 PolarHBondContact O-N 2.99Å; F202-Q204 VanDerWaalsContact C-N 3.32Å; F202-Q204 PolarHBondContact O-N 3Å; Q204-A206 VanDerWaalsContact C-N 3.31Å; Q204-A206 PolarHBondContact O-N 2.85Å; Q204-E207 PolarHBondContact O-N 2.74Å |
| 205 | Q | 93.1 | Very high | 93.8 | Very high | 150 Ų | 150 | 52.8 Ų | 52.8 | 70% | 0.701 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64.3 | -36 | 178.3 | -174.2 | 177.8 | 1.9 | 0 | 0 | 112.3 | D201 F202 E207 | D201-Q205 WeakPolarHBondContact O-CB 3.41Å; D201-Q205 PolarHBondContact O-N 2.95Å; F202-Q205 PolarHBondContact O-N 3.18Å; Q205-E207 PolarHBondContact O-N 3.24Å |
| 206 | A | 92.5 | Very high | 93.8 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 3% | 0.033 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -9.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F202 Q204 V208 D267 M268 V271 | F202-A206 WeakPolarHBondContact O-CB 3.44Å; F202-A206 PolarHBondContact O-N 2.99Å; Q204-A206 VanDerWaalsContact C-N 3.31Å; Q204-A206 PolarHBondContact O-N 2.85Å; A206-V208 PolarHBondContact O-N 3.26Å; A206-V208 VanDerWaalsContact O-N 3.14Å; A206-D267 CarbonylContact O-C 3.4Å; A206-M268 WeakPolarHBondContact O-CA 3.47Å; A206-M268 WeakPolarHBondContact O-CB 3.37Å; A206-M268 PolarHBondContact O-N 3.5Å; A206-V271 HydrophobicContact CB-CG2 3.82Å |
| 207 | E | 90.8 | Very high | 93.7 | Very high | 164 Ų | 164 | 48.2 Ų | 48.2 | 77% | 0.766 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 28.6 | -178.2 | -57.4 | -175.7 | 172.6 | 0 | 0 | 113.9 | M203 Q204 Q205 G209 | M203-E207 PolarHBondContact O-N 3.02Å; Q204-E207 PolarHBondContact O-N 2.74Å; Q205-E207 PolarHBondContact O-N 3.24Å; E207-G209 VanDerWaalsContact C-N 3.28Å; E207-G209 PolarHBondContact O-N 2.81Å |
| 208 | V | 90.8 | Very high | 93.6 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | trans | -69 | -26.3 | -174.1 | 70.5 | 0 | 0 | 0 | 0 | 113.3 | M203 A206 F212 V271 H272 | M203-V208 HydrophobicContact CB-CG1 4.03Å; M203-V208 HydrophobicContact CE-CG1 3.96Å; M203-V208 HydrophobicContact CG-CG1 4.3Å; M203-V208 PolarHBondContact O-N 3Å; A206-V208 PolarHBondContact O-N 3.26Å; A206-V208 VanDerWaalsContact O-N 3.14Å; V208-F212 HydrophobicContact CG2-CD1 4.22Å; V208-V271 HydrophobicContact CB-CB 4.2Å; V208-V271 HydrophobicContact CB-CG1 4.08Å; V208-V271 HydrophobicContact CG1-CG1 4.01Å; V208-V271 HydrophobicContact CG2-CB 4.02Å; V208-V271 HydrophobicContact CG2-CG1 3.92Å; V208-H272 HydrophobicContact CG2-CB 3.95Å | ||
| 209 | G | 89.9 | Confident | 93.4 | Very high | 41 Ų | 41 | 39.7 Ų | 39.7 | 42% | 0.423 | 21% | 0.21 | S | C | . | . | trans | 62.6 | -152.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E207 F212 | E207-G209 VanDerWaalsContact C-N 3.28Å; E207-G209 PolarHBondContact O-N 2.81Å; G209-F212 VanDerWaalsContact O-CE1 3.27Å; G209-F212 WeakPolarHBondContact O-CE1 3.5Å | ||
| 210 | T | 91.9 | Very high | 93.4 | Very high | 15 Ų | 15 | 39.8 Ų | 39.8 | 9% | 0.092 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -122.4 | 2.3 | -174.4 | 55.2 | 0 | 0 | 0 | 0 | 113.9 | L188 M189 F212 A213 | L188-T210 HydrophobicContact CB-CG2 4.13Å; L188-T210 HydrophobicContact CD2-CG2 4.23Å; M189-T210 HydrophobicContact CG-CG2 3.74Å; M189-T210 HydrophobicContact SD-CG2 4.38Å; T210-F212 PolarHBondContact O-N 3.37Å; T210-A213 PolarHBondContact O-N 3.24Å; T210-A213 VanDerWaalsContact O-N 3.14Å |
| 211 | I | 88.9 | Confident | 93.2 | Very high | 93 Ų | 93 | 39.5 Ų | 39.5 | 48% | 0.477 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -66.1 | -24.9 | -173.7 | -61.9 | -60 | 0 | 0 | 0 | 112.6 | L185 A213 L214 | L185-I211 HydrophobicContact CD1-CD1 4.35Å; I211-A213 PolarHBondContact O-N 2.79Å; I211-L214 WeakPolarHBondContact O-CB 3.47Å; I211-L214 PolarHBondContact O-N 2.95Å |
| 212 | F | 91.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -57 | -32.1 | 174.8 | 66.9 | -96.8 | 0 | 0 | 0 | 112.5 | L188 M203 V208 G209 T210 W216 V254 L275 | L188-F212 HydrophobicContact CD2-CE1 4.47Å; L188-F212 HydrophobicContact CD2-CE2 4.19Å; L188-F212 HydrophobicContact CD2-CZ 3.7Å; M203-F212 HydrophobicContact CE-CE1 3.72Å; M203-F212 HydrophobicContact CE-CZ 3.8Å; V208-F212 HydrophobicContact CG2-CD1 4.22Å; G209-F212 VanDerWaalsContact O-CE1 3.27Å; G209-F212 WeakPolarHBondContact O-CE1 3.5Å; T210-F212 PolarHBondContact O-N 3.37Å; F212-W216 AromaticContact CD2-CH2 3.57Å; F212-W216 HydrophobicContact CD2-CH2 3.57Å; F212-W216 AromaticContact CD2-CZ2 3.7Å; F212-W216 HydrophobicContact CD2-CZ2 3.7Å; F212-W216 HydrophobicContact CD2-CZ3 4.22Å; F212-W216 AromaticContact CE2-CH2 3.55Å; F212-W216 HydrophobicContact CE2-CH2 3.55Å; F212-W216 HydrophobicContact CE2-CZ2 4.18Å; F212-W216 AromaticContact CE2-CZ3 3.92Å; F212-W216 HydrophobicContact CE2-CZ3 3.92Å; F212-W216 PolarHBondContact O-NE1 3Å; F212-V254 HydrophobicContact CE2-CG2 3.9Å; F212-V254 HydrophobicContact CZ-CG2 4.06Å; F212-L275 HydrophobicContact CB-CB 4.42Å; F212-L275 HydrophobicContact CD1-CD1 4Å; F212-L275 HydrophobicContact CD2-CB 3.69Å; F212-L275 HydrophobicContact CD2-CD1 4.09Å; F212-L275 HydrophobicContact CD2-CG 4.49Å; F212-L275 HydrophobicContact CE1-CD1 3.67Å; F212-L275 HydrophobicContact CE2-CB 4.07Å; F212-L275 HydrophobicContact CE2-CD1 3.79Å; F212-L275 HydrophobicContact CE2-CG 4.42Å; F212-L275 HydrophobicContact CG-CB 3.98Å; F212-L275 HydrophobicContact CG-CD1 4.21Å; F212-L275 HydrophobicContact CZ-CD1 3.57Å |
| 213 | A | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -85.8 | -7.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L185 L188 T210 I211 S215 W216 L217 | L185-A213 HydrophobicContact CD2-CB 3.97Å; L188-A213 HydrophobicContact CD2-CB 3.98Å; T210-A213 PolarHBondContact O-N 3.24Å; T210-A213 VanDerWaalsContact O-N 3.14Å; I211-A213 PolarHBondContact O-N 2.79Å; A213-S215 VanDerWaalsContact C-N 3.35Å; A213-S215 PolarHBondContact O-N 3.49Å; A213-W216 HydrophobicContact CB-CD2 4.2Å; A213-W216 HydrophobicContact CB-CE3 3.86Å; A213-W216 HydrophobicContact CB-CZ3 4.18Å; A213-W216 WeakPolarHBondContact O-CB 3.29Å; A213-W216 PolarHBondContact O-N 2.96Å; A213-W216 VanDerWaalsContact O-N 3.08Å; A213-L217 HydrophobicContact CB-CD1 4.34Å; A213-L217 VanDerWaalsContact O-CD1 3.31Å; A213-L217 WeakPolarHBondContact O-CD1 3.27Å; A213-L217 PolarHBondContact O-N 3.39Å; A213-L217 VanDerWaalsContact O-N 3.16Å |
| 214 | L | 92.1 | Very high | 91.9 | Very high | 44 Ų | 44 | 40.8 Ų | 40.8 | 23% | 0.23 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.8 | -50 | -177.9 | 177.3 | 61.6 | 0 | 0 | 0 | 111.4 | T181 L185 I211 W216 L217 I218 | T181-L214 HydrophobicContact CG2-CD1 3.25Å; L185-L214 HydrophobicContact CD1-CB 3.94Å; L185-L214 HydrophobicContact CD1-CD1 3.92Å; L185-L214 HydrophobicContact CD1-CG 4.49Å; I211-L214 WeakPolarHBondContact O-CB 3.47Å; I211-L214 PolarHBondContact O-N 2.95Å; L214-W216 PolarHBondContact O-N 2.97Å; L214-L217 PolarHBondContact O-N 3.43Å; L214-I218 HydrophobicContact CD1-CG2 3.84Å; L214-I218 HydrophobicContact CG-CD1 4.38Å; L214-I218 WeakPolarHBondContact O-CG1 3.39Å; L214-I218 WeakPolarHBondContact O-CG2 3.22Å; L214-I218 PolarHBondContact O-N 2.83Å; L214-I218 VanDerWaalsContact O-N 3.08Å |
| 215 | S | 92.4 | Very high | 91.6 | Very high | 45 Ų | 45 | 35.5 Ų | 35.5 | 32% | 0.315 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.4 | -31.6 | -179.7 | 64 | 0 | 0 | 0 | 0 | 112.1 | A213 T219 | A213-S215 VanDerWaalsContact C-N 3.35Å; A213-S215 PolarHBondContact O-N 3.49Å; S215-T219 WeakPolarHBondContact O-CB 3.07Å; S215-T219 WeakPolarHBondContact O-CG2 3.38Å; S215-T219 PolarHBondContact O-N 3.27Å; S215-T219 PolarHBondContact O-OG1 3.22Å |
| 216 | W | 95.4 | Very high | 91 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69 | -45.2 | 179.6 | -51.9 | -6 | 0 | 0 | 0 | 110.9 | F212 A213 L214 W220 F221 A250 I253 V254 L275 I278 | F212-W216 AromaticContact CD2-CH2 3.57Å; F212-W216 HydrophobicContact CD2-CH2 3.57Å; F212-W216 AromaticContact CD2-CZ2 3.7Å; F212-W216 HydrophobicContact CD2-CZ2 3.7Å; F212-W216 HydrophobicContact CD2-CZ3 4.22Å; F212-W216 AromaticContact CE2-CH2 3.55Å; F212-W216 HydrophobicContact CE2-CH2 3.55Å; F212-W216 HydrophobicContact CE2-CZ2 4.18Å; F212-W216 AromaticContact CE2-CZ3 3.92Å; F212-W216 HydrophobicContact CE2-CZ3 3.92Å; F212-W216 PolarHBondContact O-NE1 3Å; A213-W216 HydrophobicContact CB-CD2 4.2Å; A213-W216 HydrophobicContact CB-CE3 3.86Å; A213-W216 HydrophobicContact CB-CZ3 4.18Å; A213-W216 WeakPolarHBondContact O-CB 3.29Å; A213-W216 PolarHBondContact O-N 2.96Å; A213-W216 VanDerWaalsContact O-N 3.08Å; L214-W216 PolarHBondContact O-N 2.97Å; W216-W220 CarbonylContact O-C 3.56Å; W216-W220 WeakPolarHBondContact O-CA 3.47Å; W216-W220 PolarHBondContact O-N 3.09Å; W216-W220 VanDerWaalsContact O-N 3.09Å; W216-F221 HydrophobicContact CB-CD1 3.77Å; W216-F221 HydrophobicContact CB-CE1 3.52Å; W216-F221 HydrophobicContact CB-CE2 4.29Å; W216-F221 HydrophobicContact CB-CG 4.28Å; W216-F221 HydrophobicContact CB-CZ 3.78Å; W216-F221 AromaticContact CD2-CE1 3.97Å; W216-F221 HydrophobicContact CD2-CE1 3.97Å; W216-F221 AromaticContact CE3-CE1 3.77Å; W216-F221 HydrophobicContact CE3-CE1 3.77Å; W216-F221 HydrophobicContact CE3-CZ 4.28Å; W216-F221 HydrophobicContact CG-CD1 4.15Å; W216-F221 AromaticContact CG-CE1 3.9Å; W216-F221 HydrophobicContact CG-CE1 3.9Å; W216-F221 PolarHBondContact O-N 3.16Å; W216-A250 HydrophobicContact CE3-CB 3.81Å; W216-A250 HydrophobicContact CZ3-CB 4.14Å; W216-I253 HydrophobicContact CZ3-CG2 4.43Å; W216-V254 HydrophobicContact CH2-CG2 4.42Å; W216-V254 HydrophobicContact CZ3-CG2 4.32Å; W216-L275 WeakPolarHBondContact CZ2-O 3.5Å; W216-I278 HydrophobicContact CD2-CD1 3.87Å; W216-I278 HydrophobicContact CE3-CD1 4.45Å; W216-I278 HydrophobicContact CG-CD1 4.13Å; W216-I278 HydrophobicContact CZ2-CD1 4.14Å; W216-I278 HydrophobicContact CZ2-CG1 4.02Å |
| 217 | L | 94.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.7 | -49.5 | -178 | -89.4 | 73.5 | 0 | 0 | 0 | 111.7 | F173 I184 L185 A213 L214 T219 W220 P246 I247 A250 | F173-L217 HydrophobicContact CZ-CB 4.19Å; I184-L217 HydrophobicContact CG2-CD2 3.55Å; L185-L217 HydrophobicContact CD2-CD1 4.23Å; L185-L217 HydrophobicContact CD2-CD2 4.03Å; A213-L217 HydrophobicContact CB-CD1 4.34Å; A213-L217 VanDerWaalsContact O-CD1 3.31Å; A213-L217 WeakPolarHBondContact O-CD1 3.27Å; A213-L217 PolarHBondContact O-N 3.39Å; A213-L217 VanDerWaalsContact O-N 3.16Å; L214-L217 PolarHBondContact O-N 3.43Å; L217-T219 PolarHBondContact O-N 3.01Å; L217-W220 VanDerWaalsContact O-CD1 3.31Å; L217-W220 PolarHBondContact O-N 3.08Å; L217-P246 HydrophobicContact CG-CB 4.38Å; L217-I247 HydrophobicContact CD1-CD1 3.99Å; L217-I247 HydrophobicContact CD2-CB 4.38Å; L217-I247 HydrophobicContact CD2-CD1 3.61Å; L217-I247 HydrophobicContact CG-CD1 4.41Å; L217-A250 HydrophobicContact CD1-CB 4.1Å |
| 218 | I | 94.2 | Very high | 90.7 | Very high | 19 Ų | 19 | 29 Ų | 29 | 10% | 0.097 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -72.4 | -16.3 | -172.8 | 72.2 | -178 | 0 | 0 | 0 | 113.1 | Y139 I145 F173 T181 L214 | Y139-I218 HydrophobicContact CD2-CB 4.11Å; Y139-I218 HydrophobicContact CD2-CD1 4.22Å; Y139-I218 HydrophobicContact CD2-CG1 4.43Å; Y139-I218 HydrophobicContact CE2-CB 3.58Å; Y139-I218 HydrophobicContact CE2-CD1 4.4Å; Y139-I218 HydrophobicContact CE2-CG1 4.11Å; Y139-I218 VanDerWaalsContact CE2-O 3.24Å; Y139-I218 WeakPolarHBondContact CE2-O 3.32Å; Y139-I218 PolarHBondContact OH-O 3.13Å; I145-I218 VanDerWaalsContact CD1-O 3.31Å; I145-I218 WeakPolarHBondContact CD1-O 3.38Å; F173-I218 HydrophobicContact CD1-CG2 4.15Å; F173-I218 HydrophobicContact CE1-CG2 4.49Å; F173-I218 HydrophobicContact CG-CG2 4.16Å; T181-I218 HydrophobicContact CG2-CG2 3.88Å; L214-I218 HydrophobicContact CD1-CG2 3.84Å; L214-I218 HydrophobicContact CG-CD1 4.38Å; L214-I218 WeakPolarHBondContact O-CG1 3.39Å; L214-I218 WeakPolarHBondContact O-CG2 3.22Å; L214-I218 PolarHBondContact O-N 2.83Å; L214-I218 VanDerWaalsContact O-N 3.08Å |
| 219 | T | 95.1 | Very high | 90.8 | Very high | 4 Ų | 4 | 37 Ų | 37 | 3% | 0.025 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 4.8 | 176.4 | 70.6 | 0 | 0 | 0 | 0 | 113.3 | D144 S215 L217 F221 G222 H223 | D144-T219 HydrophobicContact CB-CG2 4.16Å; S215-T219 WeakPolarHBondContact O-CB 3.07Å; S215-T219 WeakPolarHBondContact O-CG2 3.38Å; S215-T219 PolarHBondContact O-N 3.27Å; S215-T219 PolarHBondContact O-OG1 3.22Å; L217-T219 PolarHBondContact O-N 3.01Å; T219-F221 PolarHBondContact O-N 3.25Å; T219-G222 PolarHBondContact O-N 3.08Å; T219-H223 HydrophobicContact CG2-CB 3.91Å; T219-H223 WeakPolarHBondContact OG1-CB 3.39Å; T219-H223 PolarHBondContact OG1-N 3.37Å |
| 220 | W | 96 | Very high | 90.9 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 1% | 0.011 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46 | 47 | -170.6 | -79.2 | 4 | 0 | 0 | 0 | 112.4 | I145 L165 H169 L170 W216 L217 G222 Y235 F238 L239 | I145-W220 HydrophobicContact CD1-CB 4.49Å; I145-W220 HydrophobicContact CD1-CD2 4.48Å; I145-W220 HydrophobicContact CD1-CG 4.16Å; L165-W220 HydrophobicContact CD1-CH2 3.53Å; L165-W220 HydrophobicContact CD1-CZ2 4Å; L165-W220 HydrophobicContact CD1-CZ3 4.4Å; L165-W220 HydrophobicContact CD2-CH2 3.83Å; L165-W220 HydrophobicContact CD2-CZ2 4.31Å; L165-W220 HydrophobicContact CD2-CZ3 4.01Å; L165-W220 HydrophobicContact CG-CH2 4.22Å; H169-W220 HydrophobicContact CB-CZ2 4.18Å; L170-W220 HydrophobicContact CD2-CZ2 4.32Å; W216-W220 CarbonylContact O-C 3.56Å; W216-W220 WeakPolarHBondContact O-CA 3.47Å; W216-W220 PolarHBondContact O-N 3.09Å; W216-W220 VanDerWaalsContact O-N 3.09Å; L217-W220 VanDerWaalsContact O-CD1 3.31Å; L217-W220 PolarHBondContact O-N 3.08Å; W220-G222 PolarHBondContact O-N 3.23Å; W220-Y235 HydrophobicContact CB-CE2 3.68Å; W220-Y235 AromaticContact CE3-CD1 3.8Å; W220-Y235 HydrophobicContact CE3-CD1 3.8Å; W220-Y235 HydrophobicContact CE3-CD2 4Å; W220-Y235 AromaticContact CE3-CE1 3.69Å; W220-Y235 HydrophobicContact CE3-CE1 3.69Å; W220-Y235 AromaticContact CE3-CE2 3.9Å; W220-Y235 HydrophobicContact CE3-CE2 3.9Å; W220-Y235 AromaticContact CE3-CG 3.96Å; W220-Y235 HydrophobicContact CE3-CG 3.96Å; W220-Y235 AromaticContact CE3-CZ 3.74Å; W220-Y235 AromaticContact CZ3-CD1 3.99Å; W220-Y235 HydrophobicContact CZ3-CD1 3.99Å; W220-Y235 HydrophobicContact CZ3-CE1 4.2Å; W220-Y235 HydrophobicContact CZ3-CG 4.27Å; W220-F238 HydrophobicContact CB-CD2 4.15Å; W220-F238 HydrophobicContact CB-CE2 4.15Å; W220-F238 HydrophobicContact CD2-CB 4.44Å; W220-F238 AromaticContact CD2-CD2 3.83Å; W220-F238 HydrophobicContact CD2-CD2 3.83Å; W220-F238 HydrophobicContact CE3-CB 4.31Å; W220-F238 HydrophobicContact CE3-CD2 4.02Å; W220-F238 AromaticContact CG-CD2 3.93Å; W220-F238 HydrophobicContact CG-CD2 3.93Å; W220-F238 HydrophobicContact CG-CE2 4.27Å; W220-F238 HydrophobicContact CH2-CB 3.97Å; W220-F238 HydrophobicContact CZ2-CB 4.14Å; W220-F238 HydrophobicContact CZ3-CB 4.08Å; W220-L239 HydrophobicContact CH2-CD2 3.9Å; W220-L239 HydrophobicContact CH2-CG 4.35Å; W220-L239 HydrophobicContact CZ3-CD2 4.08Å; W220-L239 HydrophobicContact CZ3-CG 4.21Å |
| 221 | F | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | -0.1 | -178 | -58.4 | -100.8 | 0 | 0 | 0 | 114.7 | W216 T219 H223 V224 L225 L234 F238 P246 F249 A250 I253 I278 | W216-F221 HydrophobicContact CB-CD1 3.77Å; W216-F221 HydrophobicContact CB-CE1 3.52Å; W216-F221 HydrophobicContact CB-CE2 4.29Å; W216-F221 HydrophobicContact CB-CG 4.28Å; W216-F221 HydrophobicContact CB-CZ 3.78Å; W216-F221 AromaticContact CD2-CE1 3.97Å; W216-F221 HydrophobicContact CD2-CE1 3.97Å; W216-F221 AromaticContact CE3-CE1 3.77Å; W216-F221 HydrophobicContact CE3-CE1 3.77Å; W216-F221 HydrophobicContact CE3-CZ 4.28Å; W216-F221 HydrophobicContact CG-CD1 4.15Å; W216-F221 AromaticContact CG-CE1 3.9Å; W216-F221 HydrophobicContact CG-CE1 3.9Å; W216-F221 PolarHBondContact O-N 3.16Å; T219-F221 PolarHBondContact O-N 3.25Å; F221-H223 VanDerWaalsContact C-N 3.25Å; F221-H223 PolarHBondContact O-N 3.19Å; F221-V224 PolarHBondContact O-N 3.14Å; F221-V224 VanDerWaalsContact O-N 3.13Å; F221-L225 HydrophobicContact CB-CD1 3.69Å; F221-L225 HydrophobicContact CB-CG 4.02Å; F221-L225 WeakPolarHBondContact O-CB 3.48Å; F221-L225 VanDerWaalsContact O-CG 3.31Å; F221-L225 WeakPolarHBondContact O-CG 3.15Å; F221-L225 PolarHBondContact O-N 3.3Å; F221-L234 HydrophobicContact CB-CD1 4.22Å; F221-F238 HydrophobicContact CD2-CE2 4.02Å; F221-F238 AromaticContact CD2-CZ 3.93Å; F221-F238 HydrophobicContact CD2-CZ 3.93Å; F221-F238 HydrophobicContact CE2-CE2 4.41Å; F221-F238 AromaticContact CE2-CZ 3.95Å; F221-F238 HydrophobicContact CE2-CZ 3.95Å; F221-P246 HydrophobicContact CE2-CB 4.39Å; F221-F249 HydrophobicContact CD1-CD1 4.34Å; F221-F249 HydrophobicContact CD1-CE1 4.31Å; F221-F249 HydrophobicContact CD2-CD1 4.08Å; F221-F249 HydrophobicContact CD2-CE1 4.49Å; F221-F249 AromaticContact CE1-CD1 3.91Å; F221-F249 HydrophobicContact CE1-CD1 3.91Å; F221-F249 HydrophobicContact CE1-CE1 4.22Å; F221-F249 AromaticContact CE2-CD1 3.65Å; F221-F249 HydrophobicContact CE2-CD1 3.65Å; F221-F249 HydrophobicContact CE2-CE1 4.44Å; F221-F249 HydrophobicContact CG-CD1 4.44Å; F221-F249 HydrophobicContact CG-CE1 4.46Å; F221-F249 AromaticContact CZ-CD1 3.56Å; F221-F249 HydrophobicContact CZ-CD1 3.56Å; F221-F249 HydrophobicContact CZ-CE1 4.3Å; F221-A250 HydrophobicContact CZ-CB 4.08Å; F221-I253 HydrophobicContact CD1-CD1 4.1Å; F221-I253 HydrophobicContact CE1-CD1 3.53Å; F221-I253 HydrophobicContact CZ-CD1 4.31Å; F221-I278 HydrophobicContact CD1-CD1 3.98Å; F221-I278 HydrophobicContact CE1-CD1 4.31Å |
| 222 | G | 89.7 | Confident | 91.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -33.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R105 T219 W220 V224 | R105-G222 PolarHBondContact NE-O 3.27Å; R105-G222 PolarHBondContact NH1-O 3.3Å; T219-G222 PolarHBondContact O-N 3.08Å; W220-G222 PolarHBondContact O-N 3.23Å; G222-V224 PolarHBondContact O-N 2.69Å |
| 223 | H | 85.8 | Confident | 91.5 | Very high | 121 Ų | 121 | 33.1 Ų | 33.1 | 56% | 0.56 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -32.1 | 178.4 | -168.7 | 81.2 | 0 | 0 | 0 | 113.5 | D144 T219 F221 | D144-H223 IonicContact OD2-CG 2.7Å; D144-H223 IonicContact OD2-ND1 3.24Å; D144-H223 PolarHBondContact OD2-ND1 2.95Å; D144-H223 VanDerWaalsContact OD2-ND1 3.16Å; T219-H223 HydrophobicContact CG2-CB 3.91Å; T219-H223 WeakPolarHBondContact OG1-CB 3.39Å; T219-H223 PolarHBondContact OG1-N 3.37Å; F221-H223 VanDerWaalsContact C-N 3.25Å; F221-H223 PolarHBondContact O-N 3.19Å |
| 224 | V | 84.3 | Confident | 91.7 | Very high | 28 Ų | 28 | 33.1 Ų | 33.1 | 17% | 0.17 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -27.6 | -169.5 | -166.3 | 0 | 0 | 0 | 0 | 112.2 | F221 G222 I278 Q280 | F221-V224 PolarHBondContact O-N 3.14Å; F221-V224 VanDerWaalsContact O-N 3.13Å; G222-V224 PolarHBondContact O-N 2.69Å; V224-I278 HydrophobicContact CB-CD1 4.08Å; V224-I278 HydrophobicContact CG1-CB 3.7Å; V224-I278 HydrophobicContact CG1-CD1 3.7Å; V224-I278 HydrophobicContact CG1-CG1 3.69Å; V224-Q280 PolarHBondContact O-NE2 3.45Å; V224-Q280 VanDerWaalsContact O-NE2 3.13Å |
| 225 | L | 85.2 | Confident | 92 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | trans | -87.1 | 124.8 | 179.8 | -61.8 | 178.8 | 0 | 0 | 0 | 111.4 | R105 F221 V231 L234 I278 Y284 | R105-L225 PolarHBondContact NH1-O 2.9Å; F221-L225 HydrophobicContact CB-CD1 3.69Å; F221-L225 HydrophobicContact CB-CG 4.02Å; F221-L225 WeakPolarHBondContact O-CB 3.48Å; F221-L225 VanDerWaalsContact O-CG 3.31Å; F221-L225 WeakPolarHBondContact O-CG 3.15Å; F221-L225 PolarHBondContact O-N 3.3Å; L225-V231 HydrophobicContact CB-CG2 3.61Å; L225-V231 HydrophobicContact CD1-CG2 4.13Å; L225-L234 HydrophobicContact CD1-CD1 3.45Å; L225-L234 VanDerWaalsContact CD1-CD1 3.45Å; L225-I278 HydrophobicContact CD2-CG2 4.45Å; L225-Y284 HydrophobicContact CD1-CE1 4.39Å; L225-Y284 HydrophobicContact CD2-CE1 3.79Å; L225-Y284 VanDerWaalsContact CD2-OH 3.27Å; L225-Y284 WeakPolarHBondContact CD2-OH 3.4Å | ||
| 226 | S | 81.5 | Confident | 92.2 | Very high | 90 Ų | 90 | 28.9 Ų | 28.9 | 63% | 0.629 | 14% | 0.14 | S | C | * | . | trans | -80 | -37 | -179.2 | 62 | 0 | 0 | 0 | 0 | 113.7 | F228 Q280 | S226-F228 PolarHBondContact O-N 3Å; S226-Q280 VanDerWaalsContact CB-OE1 3.25Å; S226-Q280 PolarHBondContact OG-OE1 2.9Å | ||
| 227 | D | 88.1 | Confident | 92.3 | Very high | 41 Ų | 41 | 29 Ų | 29 | 22% | 0.219 | 14% | 0.14 | C | C | . | . | trans | -82.6 | 110.8 | 178.8 | -170 | -18.9 | 0 | 0 | 0 | 110.6 | R229 H230 V231 | D227-R229 PolarHBondContact O-N 3.41Å; D227-R229 VanDerWaalsContact O-N 3.15Å; D227-R229 VanDerWaalsContact OD1-CB 3.25Å; D227-R229 WeakPolarHBondContact OD1-CB 3.4Å; D227-R229 WeakPolarHBondContact OD1-CG 3.31Å; D227-R229 PolarHBondContact OD1-N 2.91Å; D227-R229 IonicContact OD1-NE 3.5Å; D227-R229 PolarHBondContact OD1-NE 2.92Å; D227-R229 IonicContact OD2-CZ 2.72Å; D227-R229 IonicContact OD2-NE 2.8Å; D227-R229 PolarHBondContact OD2-NE 3.06Å; D227-R229 VanDerWaalsContact OD2-NE 3.11Å; D227-R229 IonicContact OD2-NH2 3.24Å; D227-R229 PolarHBondContact OD2-NH2 3.42Å; D227-H230 PolarHBondContact O-N 3.37Å; D227-H230 VanDerWaalsContact O-N 3.09Å; D227-H230 IonicContact OD2-CE1 3.44Å; D227-H230 IonicContact OD2-ND1 2.75Å; D227-V231 PolarHBondContact O-N 3.48Å | ||
| 228 | F | 89.9 | Confident | 92.5 | Very high | 49 Ų | 49 | 29 Ų | 29 | 22% | 0.215 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -55.1 | -31.8 | 177.5 | -174.4 | -109.7 | 0 | 0 | 0 | 112.8 | T148 L151 V152 S226 H230 V231 V232 | T148-F228 HydrophobicContact CG2-CE2 4.06Å; T148-F228 HydrophobicContact CG2-CZ 4.45Å; L151-F228 HydrophobicContact CB-CE1 4.33Å; L151-F228 HydrophobicContact CB-CE2 4.1Å; L151-F228 HydrophobicContact CB-CZ 3.55Å; L151-F228 HydrophobicContact CD1-CD2 4.37Å; L151-F228 HydrophobicContact CD1-CE2 3.72Å; L151-F228 HydrophobicContact CD1-CZ 3.99Å; L151-F228 HydrophobicContact CG-CZ 4.45Å; V152-F228 HydrophobicContact CG2-CE1 4.31Å; V152-F228 HydrophobicContact CG2-CZ 3.97Å; S226-F228 PolarHBondContact O-N 3Å; F228-H230 VanDerWaalsContact C-N 3.34Å; F228-H230 PolarHBondContact O-N 2.62Å; F228-V231 WeakPolarHBondContact O-CB 3.26Å; F228-V231 PolarHBondContact O-N 3.45Å; F228-V232 HydrophobicContact CD1-CG2 3.89Å; F228-V232 HydrophobicContact CD2-CG2 4.27Å; F228-V232 HydrophobicContact CE1-CG2 3.43Å; F228-V232 VanDerWaalsContact CE1-CG2 3.43Å; F228-V232 HydrophobicContact CE2-CG2 3.83Å; F228-V232 HydrophobicContact CG-CG2 4.29Å; F228-V232 HydrophobicContact CZ-CG2 3.38Å; F228-V232 WeakPolarHBondContact O-CG2 3.47Å; F228-V232 PolarHBondContact O-N 3.05Å |
| 229 | R | 90.9 | Very high | 92.6 | Very high | 175 Ų | 175 | 28.2 Ų | 28.2 | 66% | 0.66 | 14% | 0.136 | S | C | * | . | H | α-helix | trans | -66 | -38.3 | 179.9 | -56.4 | 176.6 | -59 | 160.1 | 8.6 | 111.8 | D227 R233 | D227-R229 PolarHBondContact O-N 3.41Å; D227-R229 VanDerWaalsContact O-N 3.15Å; D227-R229 VanDerWaalsContact OD1-CB 3.25Å; D227-R229 WeakPolarHBondContact OD1-CB 3.4Å; D227-R229 WeakPolarHBondContact OD1-CG 3.31Å; D227-R229 PolarHBondContact OD1-N 2.91Å; D227-R229 IonicContact OD1-NE 3.5Å; D227-R229 PolarHBondContact OD1-NE 2.92Å; D227-R229 IonicContact OD2-CZ 2.72Å; D227-R229 IonicContact OD2-NE 2.8Å; D227-R229 PolarHBondContact OD2-NE 3.06Å; D227-R229 VanDerWaalsContact OD2-NE 3.11Å; D227-R229 IonicContact OD2-NH2 3.24Å; D227-R229 PolarHBondContact OD2-NH2 3.42Å; R229-R233 VanDerWaalsContact O-CB 3.29Å; R229-R233 WeakPolarHBondContact O-CB 3.42Å; R229-R233 PolarHBondContact O-N 3.03Å |
| 230 | H | 92.1 | Very high | 92.6 | Very high | 57 Ų | 57 | 28.3 Ų | 28.3 | 26% | 0.264 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -68.9 | -39 | 175.5 | -61.1 | 150.4 | 0 | 0 | 0 | 111 | D227 F228 R233 L234 Y284 | D227-H230 PolarHBondContact O-N 3.37Å; D227-H230 VanDerWaalsContact O-N 3.09Å; D227-H230 IonicContact OD2-CE1 3.44Å; D227-H230 IonicContact OD2-ND1 2.75Å; F228-H230 VanDerWaalsContact C-N 3.34Å; F228-H230 PolarHBondContact O-N 2.62Å; H230-R233 WeakPolarHBondContact O-CB 3.49Å; H230-R233 PolarHBondContact O-N 3.49Å; H230-L234 WeakPolarHBondContact O-CG 3.44Å; H230-L234 PolarHBondContact O-N 3.13Å; H230-Y284 HydrophobicContact CB-CD2 4.18Å; H230-Y284 HydrophobicContact CB-CE2 4.15Å; H230-Y284 AromaticContact CD2-CD2 3.85Å; H230-Y284 AromaticContact CE1-CD2 3.86Å; H230-Y284 AromaticContact CE1-CE2 3.64Å; H230-Y284 AromaticContact CG-CD2 3.66Å; H230-Y284 AromaticContact CG-CE2 3.65Å; H230-Y284 AromaticContact ND1-CD2 3.64Å; H230-Y284 AromaticContact ND1-CE2 3.22Å; H230-Y284 WeakPolarHBondContact ND1-CE2 3.31Å |
| 231 | V | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.3 | -53.9 | 174.8 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | T148 L225 D227 F228 R233 L234 Y235 | T148-V231 HydrophobicContact CG2-CG1 4.01Å; L225-V231 HydrophobicContact CB-CG2 3.61Å; L225-V231 HydrophobicContact CD1-CG2 4.13Å; D227-V231 PolarHBondContact O-N 3.48Å; F228-V231 WeakPolarHBondContact O-CB 3.26Å; F228-V231 PolarHBondContact O-N 3.45Å; V231-R233 VanDerWaalsContact C-N 3.25Å; V231-R233 PolarHBondContact O-N 3.36Å; V231-L234 WeakPolarHBondContact O-CA 3.35Å; V231-L234 WeakPolarHBondContact O-CB 3.5Å; V231-L234 PolarHBondContact O-N 3.07Å; V231-Y235 HydrophobicContact CG1-CD2 3.96Å; V231-Y235 HydrophobicContact CG1-CE2 3.6Å; V231-Y235 WeakPolarHBondContact O-CD2 3.17Å; V231-Y235 PolarHBondContact O-N 3.36Å |
| 232 | V | 96.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.9 | -32.3 | -177.9 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | W66 T148 V152 F228 L234 Y235 D236 | W66-V232 HydrophobicContact CH2-CG1 4.06Å; W66-V232 HydrophobicContact CZ2-CG1 3.78Å; T148-V232 HydrophobicContact CG2-CG2 4.18Å; V152-V232 HydrophobicContact CG2-CG1 3.92Å; V152-V232 HydrophobicContact CG2-CG2 3.81Å; F228-V232 HydrophobicContact CD1-CG2 3.89Å; F228-V232 HydrophobicContact CD2-CG2 4.27Å; F228-V232 HydrophobicContact CE1-CG2 3.43Å; F228-V232 VanDerWaalsContact CE1-CG2 3.43Å; F228-V232 HydrophobicContact CE2-CG2 3.83Å; F228-V232 HydrophobicContact CG-CG2 4.29Å; F228-V232 HydrophobicContact CZ-CG2 3.38Å; F228-V232 WeakPolarHBondContact O-CG2 3.47Å; F228-V232 PolarHBondContact O-N 3.05Å; V232-L234 VanDerWaalsContact C-N 3.35Å; V232-L234 PolarHBondContact O-N 2.91Å; V232-Y235 WeakPolarHBondContact O-CB 3.36Å; V232-Y235 PolarHBondContact O-N 3.14Å; V232-D236 PolarHBondContact O-N 3.46Å |
| 233 | R | 96.3 | Very high | 92.5 | Very high | 13 Ų | 13 | 30.6 Ų | 30.6 | 5% | 0.049 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.7 | -38.1 | 171.7 | 170.9 | 60.4 | -173 | 108.1 | -5.6 | 112.9 | A50 I51 S52 R229 H230 V231 Y235 D236 F237 E285 I288 | A50-R233 PolarHBondContact O-NH1 3.32Å; I51-R233 PolarHBondContact O-NH2 2.87Å; S52-R233 PolarHBondContact O-NH2 3.31Å; R229-R233 VanDerWaalsContact O-CB 3.29Å; R229-R233 WeakPolarHBondContact O-CB 3.42Å; R229-R233 PolarHBondContact O-N 3.03Å; H230-R233 WeakPolarHBondContact O-CB 3.49Å; H230-R233 PolarHBondContact O-N 3.49Å; V231-R233 VanDerWaalsContact C-N 3.25Å; V231-R233 PolarHBondContact O-N 3.36Å; R233-Y235 VanDerWaalsContact C-N 3.34Å; R233-D236 WeakPolarHBondContact O-CB 3.18Å; R233-D236 PolarHBondContact O-N 3.25Å; R233-F237 PolarHBondContact O-N 3.05Å; R233-E285 IonicContact CZ-OE1 3.35Å; R233-E285 IonicContact CZ-OE2 2.74Å; R233-E285 IonicContact NE-OE1 3.11Å; R233-E285 PolarHBondContact NE-OE1 3.46Å; R233-E285 IonicContact NE-OE2 3.13Å; R233-E285 PolarHBondContact NE-OE2 3.36Å; R233-E285 IonicContact NH2-OE1 2.74Å; R233-E285 IonicContact NH2-OE2 3.46Å; R233-E285 PolarHBondContact NH2-OE2 2.61Å; R233-I288 HydrophobicContact CG-CD1 4.15Å |
| 234 | L | 96.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.9 | -34.2 | 172.6 | -71.7 | 174.4 | 0 | 0 | 0 | 111.8 | F221 L225 H230 V231 V232 F237 F238 F249 I288 | F221-L234 HydrophobicContact CB-CD1 4.22Å; L225-L234 HydrophobicContact CD1-CD1 3.45Å; L225-L234 VanDerWaalsContact CD1-CD1 3.45Å; H230-L234 WeakPolarHBondContact O-CG 3.44Å; H230-L234 PolarHBondContact O-N 3.13Å; V231-L234 WeakPolarHBondContact O-CA 3.35Å; V231-L234 WeakPolarHBondContact O-CB 3.5Å; V231-L234 PolarHBondContact O-N 3.07Å; V232-L234 VanDerWaalsContact C-N 3.35Å; V232-L234 PolarHBondContact O-N 2.91Å; L234-F237 WeakPolarHBondContact O-CB 3.02Å; L234-F237 PolarHBondContact O-N 2.88Å; L234-F237 VanDerWaalsContact O-N 3.12Å; L234-F238 HydrophobicContact CB-CD2 4.37Å; L234-F238 HydrophobicContact CB-CE2 3.91Å; L234-F238 HydrophobicContact CB-CZ 4.25Å; L234-F238 HydrophobicContact CD2-CZ 4.3Å; L234-F238 WeakPolarHBondContact O-CD2 3.47Å; L234-F238 VanDerWaalsContact O-CG 3.31Å; L234-F238 WeakPolarHBondContact O-CG 3.14Å; L234-F238 PolarHBondContact O-N 2.89Å; L234-F249 HydrophobicContact CD1-CE1 3.74Å; L234-F249 HydrophobicContact CD1-CZ 4.13Å; L234-F249 HydrophobicContact CD2-CD1 4.22Å; L234-F249 HydrophobicContact CD2-CD2 4.29Å; L234-F249 HydrophobicContact CD2-CE1 3.7Å; L234-F249 HydrophobicContact CD2-CE2 3.78Å; L234-F249 HydrophobicContact CD2-CG 4.5Å; L234-F249 HydrophobicContact CD2-CZ 3.48Å; L234-F249 VanDerWaalsContact CD2-CZ 3.48Å; L234-F249 HydrophobicContact CG-CE1 4.41Å; L234-F249 HydrophobicContact CG-CZ 4.44Å; L234-I288 HydrophobicContact CD2-CD1 3.82Å; L234-I288 HydrophobicContact CD2-CG1 3.79Å |
| 235 | Y | 97.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.2 | -40.9 | 175.4 | -81.6 | -130.8 | 0 | 0 | 0 | 111 | W66 I145 T148 F149 W220 V231 V232 R233 F237 F238 L239 | W66-Y235 HydrophobicContact CH2-CD1 4.27Å; I145-Y235 VanDerWaalsContact CA-OH 3.32Å; I145-Y235 WeakPolarHBondContact CA-OH 3.33Å; I145-Y235 HydrophobicContact CG2-CE1 4.12Å; T148-Y235 HydrophobicContact CG2-CD1 3.79Å; T148-Y235 HydrophobicContact CG2-CD2 4.28Å; T148-Y235 HydrophobicContact CG2-CE1 3.53Å; T148-Y235 HydrophobicContact CG2-CE2 4.06Å; T148-Y235 HydrophobicContact CG2-CG 4.17Å; F149-Y235 HydrophobicContact CD2-CD1 4.34Å; F149-Y235 AromaticContact CD2-CE1 3.99Å; F149-Y235 HydrophobicContact CD2-CE1 3.99Å; F149-Y235 AromaticContact CE2-CD1 3.79Å; F149-Y235 HydrophobicContact CE2-CD1 3.79Å; F149-Y235 AromaticContact CE2-CE1 3.63Å; F149-Y235 HydrophobicContact CE2-CE1 3.63Å; F149-Y235 HydrophobicContact CZ-CD1 4.19Å; F149-Y235 HydrophobicContact CZ-CE1 4.47Å; W220-Y235 HydrophobicContact CB-CE2 3.68Å; W220-Y235 AromaticContact CE3-CD1 3.8Å; W220-Y235 HydrophobicContact CE3-CD1 3.8Å; W220-Y235 HydrophobicContact CE3-CD2 4Å; W220-Y235 AromaticContact CE3-CE1 3.69Å; W220-Y235 HydrophobicContact CE3-CE1 3.69Å; W220-Y235 AromaticContact CE3-CE2 3.9Å; W220-Y235 HydrophobicContact CE3-CE2 3.9Å; W220-Y235 AromaticContact CE3-CG 3.96Å; W220-Y235 HydrophobicContact CE3-CG 3.96Å; W220-Y235 AromaticContact CE3-CZ 3.74Å; W220-Y235 AromaticContact CZ3-CD1 3.99Å; W220-Y235 HydrophobicContact CZ3-CD1 3.99Å; W220-Y235 HydrophobicContact CZ3-CE1 4.2Å; W220-Y235 HydrophobicContact CZ3-CG 4.27Å; V231-Y235 HydrophobicContact CG1-CD2 3.96Å; V231-Y235 HydrophobicContact CG1-CE2 3.6Å; V231-Y235 WeakPolarHBondContact O-CD2 3.17Å; V231-Y235 PolarHBondContact O-N 3.36Å; V232-Y235 WeakPolarHBondContact O-CB 3.36Å; V232-Y235 PolarHBondContact O-N 3.14Å; R233-Y235 VanDerWaalsContact C-N 3.34Å; Y235-F237 PolarHBondContact O-N 2.97Å; Y235-F238 PolarHBondContact O-N 3.01Å; Y235-L239 VanDerWaalsContact O-CB 3.26Å; Y235-L239 WeakPolarHBondContact O-CB 3.45Å; Y235-L239 WeakPolarHBondContact O-CD1 3.5Å; Y235-L239 WeakPolarHBondContact O-CG 3.3Å; Y235-L239 PolarHBondContact O-N 3.46Å |
| 236 | D | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -53.2 | -44.4 | 171.3 | -63.4 | -24.9 | 0 | 0 | 0 | 110.7 | A50 L56 R62 W66 V232 R233 A240 | A50-D236 HydrophobicContact CB-CB 4.38Å; A50-D236 WeakPolarHBondContact CB-O 3.44Å; L56-D236 HydrophobicContact CD1-CB 4.43Å; L56-D236 HydrophobicContact CG-CB 4.22Å; L56-D236 PolarHBondContact N-OD2 3.2Å; R62-D236 IonicContact CZ-OD2 3.97Å; R62-D236 IonicContact NE-OD1 3.16Å; R62-D236 PolarHBondContact NE-OD1 2.79Å; R62-D236 IonicContact NE-OD2 3.1Å; R62-D236 PolarHBondContact NE-OD2 2.92Å; R62-D236 IonicContact NH2-OD2 2.67Å; R62-D236 PolarHBondContact NH2-OD2 3.23Å; W66-D236 PolarHBondContact NE1-OD1 3.05Å; V232-D236 PolarHBondContact O-N 3.46Å; R233-D236 WeakPolarHBondContact O-CB 3.18Å; R233-D236 PolarHBondContact O-N 3.25Å; D236-A240 WeakPolarHBondContact O-CB 3.39Å; D236-A240 PolarHBondContact O-N 3.44Å |
| 237 | F | 97.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 0% | 0.004 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.7 | -51.7 | 179.6 | 176.8 | -125.3 | 0 | 0 | 0 | 112.9 | I51 R233 L234 Y235 L239 A240 C241 M245 I288 A291 | I51-F237 HydrophobicContact CG1-CD2 4.19Å; I51-F237 HydrophobicContact CG2-CD2 4.37Å; I51-F237 HydrophobicContact CG2-CE2 4.28Å; R233-F237 PolarHBondContact O-N 3.05Å; L234-F237 WeakPolarHBondContact O-CB 3.02Å; L234-F237 PolarHBondContact O-N 2.88Å; L234-F237 VanDerWaalsContact O-N 3.12Å; Y235-F237 PolarHBondContact O-N 2.97Å; F237-L239 PolarHBondContact O-N 3.26Å; F237-A240 PolarHBondContact O-N 3.45Å; F237-A240 VanDerWaalsContact O-N 3.14Å; F237-C241 VanDerWaalsContact CD2-SG 3.59Å; F237-C241 WeakPolarHBondContact CE2-SG 3.33Å; F237-C241 WeakPolarHBondContact O-CB 3.26Å; F237-C241 PolarHBondContact O-N 3.44Å; F237-C241 PolarHBondContact O-SG 3.32Å; F237-M245 HydrophobicContact CD1-CG 4.11Å; F237-M245 HydrophobicContact CE1-CG 3.31Å; F237-M245 HydrophobicContact CE1-SD 3.79Å; F237-M245 HydrophobicContact CE2-CG 4.31Å; F237-M245 HydrophobicContact CE2-SD 4.45Å; F237-M245 HydrophobicContact CZ-CE 4.05Å; F237-M245 HydrophobicContact CZ-CG 3.44Å; F237-M245 VanDerWaalsContact CZ-CG 3.44Å; F237-M245 HydrophobicContact CZ-SD 3.45Å; F237-M245 WeakPolarHBondContact CZ-SD 3.17Å; F237-I288 HydrophobicContact CB-CG2 4.39Å; F237-I288 HydrophobicContact CD1-CG1 4.28Å; F237-I288 HydrophobicContact CD1-CG2 4.02Å; F237-I288 HydrophobicContact CD2-CG2 3.67Å; F237-I288 HydrophobicContact CE1-CG2 4.13Å; F237-I288 HydrophobicContact CE2-CG2 3.8Å; F237-I288 HydrophobicContact CG-CG2 3.78Å; F237-I288 HydrophobicContact CZ-CG2 4.02Å; F237-A291 HydrophobicContact CE1-CB 4.24Å; F237-A291 HydrophobicContact CZ-CB 4.26Å |
| 238 | F | 97.4 | Very high | 95 | Very high | 1 Ų | 1 | 18 Ų | 18 | 0% | 0.004 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.3 | -39 | -177.2 | -62.1 | -30.2 | 0 | 0 | 0 | 112.4 | W220 F221 L234 Y235 A240 C241 M245 P246 F249 | W220-F238 HydrophobicContact CB-CD2 4.15Å; W220-F238 HydrophobicContact CB-CE2 4.15Å; W220-F238 HydrophobicContact CD2-CB 4.44Å; W220-F238 AromaticContact CD2-CD2 3.83Å; W220-F238 HydrophobicContact CD2-CD2 3.83Å; W220-F238 HydrophobicContact CE3-CB 4.31Å; W220-F238 HydrophobicContact CE3-CD2 4.02Å; W220-F238 AromaticContact CG-CD2 3.93Å; W220-F238 HydrophobicContact CG-CD2 3.93Å; W220-F238 HydrophobicContact CG-CE2 4.27Å; W220-F238 HydrophobicContact CH2-CB 3.97Å; W220-F238 HydrophobicContact CZ2-CB 4.14Å; W220-F238 HydrophobicContact CZ3-CB 4.08Å; F221-F238 HydrophobicContact CD2-CE2 4.02Å; F221-F238 AromaticContact CD2-CZ 3.93Å; F221-F238 HydrophobicContact CD2-CZ 3.93Å; F221-F238 HydrophobicContact CE2-CE2 4.41Å; F221-F238 AromaticContact CE2-CZ 3.95Å; F221-F238 HydrophobicContact CE2-CZ 3.95Å; L234-F238 HydrophobicContact CB-CD2 4.37Å; L234-F238 HydrophobicContact CB-CE2 3.91Å; L234-F238 HydrophobicContact CB-CZ 4.25Å; L234-F238 HydrophobicContact CD2-CZ 4.3Å; L234-F238 WeakPolarHBondContact O-CD2 3.47Å; L234-F238 VanDerWaalsContact O-CG 3.31Å; L234-F238 WeakPolarHBondContact O-CG 3.14Å; L234-F238 PolarHBondContact O-N 2.89Å; Y235-F238 PolarHBondContact O-N 3.01Å; F238-A240 PolarHBondContact O-N 2.79Å; F238-C241 PolarHBondContact O-N 3.03Å; F238-M245 HydrophobicContact CD1-CB 4.38Å; F238-M245 HydrophobicContact CD1-CG 4.2Å; F238-M245 HydrophobicContact CE1-CG 4.48Å; F238-P246 HydrophobicContact CD1-CG 3.92Å; F238-P246 HydrophobicContact CD2-CG 4.26Å; F238-P246 HydrophobicContact CE1-CB 4.29Å; F238-P246 HydrophobicContact CE1-CG 4.02Å; F238-P246 HydrophobicContact CE2-CG 4.34Å; F238-P246 HydrophobicContact CG-CG 4.06Å; F238-P246 HydrophobicContact CZ-CB 4.26Å; F238-P246 HydrophobicContact CZ-CG 4.23Å; F238-F249 HydrophobicContact CE1-CB 4.11Å; F238-F249 HydrophobicContact CE1-CG 4.4Å; F238-F249 HydrophobicContact CZ-CB 4.31Å; F238-F249 HydrophobicContact CZ-CD1 4.14Å; F238-F249 HydrophobicContact CZ-CG 4.33Å |
| 239 | L | 96.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 15.6 Ų | 15.6 | 2% | 0.016 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66.9 | -23.5 | 176.5 | -67.9 | 172.8 | 0 | 0 | 0 | 113.3 | W66 L69 L70 F149 L165 W220 Y235 F237 | W66-L239 HydrophobicContact CB-CD1 4.21Å; W66-L239 HydrophobicContact CD2-CD1 3.6Å; W66-L239 HydrophobicContact CE3-CD1 4.2Å; W66-L239 HydrophobicContact CG-CD1 3.61Å; W66-L239 HydrophobicContact CZ2-CD1 4.32Å; L69-L239 HydrophobicContact CB-CB 4.4Å; L69-L239 HydrophobicContact CD1-CB 3.98Å; L70-L239 HydrophobicContact CD1-CD2 3.79Å; L70-L239 HydrophobicContact CD2-CD2 3.67Å; L70-L239 HydrophobicContact CG-CD2 3.78Å; F149-L239 HydrophobicContact CE1-CD1 4.32Å; F149-L239 HydrophobicContact CZ-CD1 4.18Å; F149-L239 HydrophobicContact CZ-CD2 4.14Å; L165-L239 HydrophobicContact CD1-CD2 3.87Å; W220-L239 HydrophobicContact CH2-CD2 3.9Å; W220-L239 HydrophobicContact CH2-CG 4.35Å; W220-L239 HydrophobicContact CZ3-CD2 4.08Å; W220-L239 HydrophobicContact CZ3-CG 4.21Å; Y235-L239 VanDerWaalsContact O-CB 3.26Å; Y235-L239 WeakPolarHBondContact O-CB 3.45Å; Y235-L239 WeakPolarHBondContact O-CD1 3.5Å; Y235-L239 WeakPolarHBondContact O-CG 3.3Å; Y235-L239 PolarHBondContact O-N 3.46Å; F237-L239 PolarHBondContact O-N 3.26Å |
| 240 | A | 95.8 | Very high | 95.7 | Very high | 6 Ų | 6 | 7.3 Ų | 7.3 | 5% | 0.05 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -90.7 | -7.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R47 A50 I51 L69 D236 F237 F238 | R47-A240 HydrophobicContact CB-CB 4.23Å; R47-A240 HydrophobicContact CG-CB 4.11Å; A50-A240 HydrophobicContact CB-CB 3.76Å; I51-A240 HydrophobicContact CD1-CB 4.29Å; I51-A240 HydrophobicContact CG1-CB 3.88Å; L69-A240 HydrophobicContact CD1-CB 4.36Å; D236-A240 WeakPolarHBondContact O-CB 3.39Å; D236-A240 PolarHBondContact O-N 3.44Å; F237-A240 PolarHBondContact O-N 3.45Å; F237-A240 VanDerWaalsContact O-N 3.14Å; F238-A240 PolarHBondContact O-N 2.79Å |
| 241 | C | 94 | Very high | 95.9 | Very high | 13 Ų | 13 | 4.6 Ų | 4.6 | 9% | 0.088 | 3% | 0.025 | C | C | . | . | S | Bend | trans | -120.4 | 177.8 | -170.5 | -66.4 | 0 | 0 | 0 | 0 | 112.7 | F237 F238 M245 F320 | F237-C241 VanDerWaalsContact CD2-SG 3.59Å; F237-C241 WeakPolarHBondContact CE2-SG 3.33Å; F237-C241 WeakPolarHBondContact O-CB 3.26Å; F237-C241 PolarHBondContact O-N 3.44Å; F237-C241 PolarHBondContact O-SG 3.32Å; F238-C241 PolarHBondContact O-N 3.03Å; C241-M245 HydrophobicContact CB-CB 3.76Å; C241-M245 HydrophobicContact CB-CE 3.91Å; C241-M245 HydrophobicContact CB-CG 3.81Å; C241-F320 WeakPolarHBondContact O-CE2 3.35Å; C241-F320 WeakPolarHBondContact O-CZ 3.41Å |
| 242 | H | 91.9 | Very high | 96.1 | Very high | 21 Ų | 21 | 4.8 Ų | 4.8 | 10% | 0.097 | 3% | 0.027 | C | C | . | . | trans | -62.3 | 145.5 | 173.5 | -172 | -82.6 | 0 | 0 | 0 | 111.7 | L244 M245 F295 A317 F320 | H242-L244 WeakPolarHBondContact ND1-CB 3.48Å; H242-L244 PolarHBondContact ND1-N 3.29Å; H242-L244 VanDerWaalsContact ND1-N 3.12Å; H242-L244 PolarHBondContact O-N 3.48Å; H242-M245 WeakPolarHBondContact O-CB 3.47Å; H242-M245 PolarHBondContact O-N 3.26Å; H242-F295 HydrophobicContact CB-CE1 4.44Å; H242-F295 HydrophobicContact CB-CE2 3.52Å; H242-F295 HydrophobicContact CB-CZ 3.43Å; H242-F295 VanDerWaalsContact CB-CZ 3.43Å; H242-F295 AromaticContact CG-CE2 3.77Å; H242-F295 AromaticContact CG-CZ 3.71Å; H242-A317 PolarHBondContact NE2-O 3.5Å; H242-F320 HydrophobicContact CB-CD1 4.12Å; H242-F320 HydrophobicContact CB-CE1 3.99Å; H242-F320 HydrophobicContact CB-CZ 4.4Å; H242-F320 AromaticContact CD2-CD1 3.21Å; H242-F320 WeakPolarHBondContact CD2-CD1 3.49Å; H242-F320 AromaticContact CD2-CE1 3.93Å; H242-F320 AromaticContact CD2-CG 3.61Å; H242-F320 AromaticContact CG-CD1 3.89Å | ||
| 243 | P | 91.8 | Very high | 96.1 | Very high | 17 Ų | 17 | 4.9 Ų | 4.9 | 11% | 0.11 | 3% | 0.027 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -26 | -179.4 | -30.9 | 31.6 | 0 | 0 | 0 | 115.4 | H169 P246 F320 | H169-P243 HydrophobicContact CB-CB 4.43Å; P243-P246 VanDerWaalsContact O-CD 3.24Å; P243-P246 WeakPolarHBondContact O-CD 3.21Å; P243-F320 VanDerWaalsContact CD-CE2 3.49Å; P243-F320 HydrophobicContact CG-CB 4.14Å; P243-F320 HydrophobicContact CG-CD2 3.62Å; P243-F320 HydrophobicContact CG-CE2 4.31Å; P243-F320 HydrophobicContact CG-CG 4.11Å |
| 244 | L | 92.6 | Very high | 96.2 | Very high | 8 Ų | 8 | 4.2 Ų | 4.2 | 4% | 0.042 | 3% | 0.025 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -8.6 | 175 | -64.5 | 178.3 | 0 | 0 | 0 | 113.8 | I184 Y187 H242 P246 I247 Y248 P300 A317 | I184-L244 HydrophobicContact CB-CD2 4.46Å; I184-L244 HydrophobicContact CG1-CD2 4.05Å; I184-L244 HydrophobicContact CG2-CD2 3.81Å; Y187-L244 HydrophobicContact CE1-CD1 4.45Å; H242-L244 WeakPolarHBondContact ND1-CB 3.48Å; H242-L244 PolarHBondContact ND1-N 3.29Å; H242-L244 VanDerWaalsContact ND1-N 3.12Å; H242-L244 PolarHBondContact O-N 3.48Å; L244-P246 VanDerWaalsContact O-N 3.1Å; L244-I247 HydrophobicContact CB-CG2 4.38Å; L244-I247 WeakPolarHBondContact O-CG2 3.39Å; L244-I247 PolarHBondContact O-N 3.23Å; L244-Y248 HydrophobicContact CB-CE2 4.29Å; L244-Y248 WeakPolarHBondContact O-CD2 3.48Å; L244-P300 HydrophobicContact CB-CG 4.38Å; L244-P300 HydrophobicContact CD1-CB 3.52Å; L244-P300 HydrophobicContact CD1-CG 3.76Å; L244-A317 HydrophobicContact CD1-CB 3.48Å; L244-A317 VanDerWaalsContact CD1-CB 3.48Å; L244-A317 HydrophobicContact CG-CB 3.91Å |
| 245 | M | 96.2 | Very high | 96.2 | Very high | 6 Ų | 6 | 5 Ų | 5 | 3% | 0.03 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -50.7 | -36 | 180 | -171.6 | 57.8 | 72.4 | 0 | 0 | 114.4 | F237 F238 C241 H242 I247 Y248 F249 A291 F295 | F237-M245 HydrophobicContact CD1-CG 4.11Å; F237-M245 HydrophobicContact CE1-CG 3.31Å; F237-M245 HydrophobicContact CE1-SD 3.79Å; F237-M245 HydrophobicContact CE2-CG 4.31Å; F237-M245 HydrophobicContact CE2-SD 4.45Å; F237-M245 HydrophobicContact CZ-CE 4.05Å; F237-M245 HydrophobicContact CZ-CG 3.44Å; F237-M245 VanDerWaalsContact CZ-CG 3.44Å; F237-M245 HydrophobicContact CZ-SD 3.45Å; F237-M245 WeakPolarHBondContact CZ-SD 3.17Å; F238-M245 HydrophobicContact CD1-CB 4.38Å; F238-M245 HydrophobicContact CD1-CG 4.2Å; F238-M245 HydrophobicContact CE1-CG 4.48Å; C241-M245 HydrophobicContact CB-CB 3.76Å; C241-M245 HydrophobicContact CB-CE 3.91Å; C241-M245 HydrophobicContact CB-CG 3.81Å; H242-M245 WeakPolarHBondContact O-CB 3.47Å; H242-M245 PolarHBondContact O-N 3.26Å; M245-I247 PolarHBondContact O-N 3.06Å; M245-Y248 PolarHBondContact O-N 3.11Å; M245-Y248 VanDerWaalsContact O-N 3.11Å; M245-F249 PolarHBondContact O-N 3.33Å; M245-A291 HydrophobicContact SD-CB 4.25Å; M245-F295 HydrophobicContact CE-CB 3.64Å; M245-F295 HydrophobicContact CE-CD1 4.21Å; M245-F295 HydrophobicContact CE-CD2 3.74Å; M245-F295 HydrophobicContact CE-CE2 4.49Å; M245-F295 HydrophobicContact CE-CG 3.59Å; M245-F295 HydrophobicContact SD-CB 4.3Å |
| 246 | P | 96.3 | Very high | 96.2 | Very high | 5 Ų | 5 | 9.9 Ų | 9.9 | 3% | 0.032 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -56 | -31.3 | 172.6 | -27.6 | 37.2 | 0 | 0 | 0 | 114.9 | L217 F221 F238 P243 L244 F249 A250 | L217-P246 HydrophobicContact CG-CB 4.38Å; F221-P246 HydrophobicContact CE2-CB 4.39Å; F238-P246 HydrophobicContact CD1-CG 3.92Å; F238-P246 HydrophobicContact CD2-CG 4.26Å; F238-P246 HydrophobicContact CE1-CB 4.29Å; F238-P246 HydrophobicContact CE1-CG 4.02Å; F238-P246 HydrophobicContact CE2-CG 4.34Å; F238-P246 HydrophobicContact CG-CG 4.06Å; F238-P246 HydrophobicContact CZ-CB 4.26Å; F238-P246 HydrophobicContact CZ-CG 4.23Å; P243-P246 VanDerWaalsContact O-CD 3.24Å; P243-P246 WeakPolarHBondContact O-CD 3.21Å; L244-P246 VanDerWaalsContact O-N 3.1Å; P246-F249 PolarHBondContact O-N 2.74Å; P246-A250 PolarHBondContact O-N 3.11Å |
| 247 | I | 95.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -71.2 | -36.8 | 176.3 | -158.4 | 69 | 0 | 0 | 0 | 111.8 | L185 L188 I191 L217 L244 M245 F249 A250 A251 | L185-I247 HydrophobicContact CD2-CD1 4.21Å; L188-I247 HydrophobicContact CB-CD1 4.03Å; L188-I247 HydrophobicContact CB-CG1 4.31Å; L188-I247 HydrophobicContact CD1-CD1 4.47Å; I191-I247 HydrophobicContact CD1-CG2 4.11Å; L217-I247 HydrophobicContact CD1-CD1 3.99Å; L217-I247 HydrophobicContact CD2-CB 4.38Å; L217-I247 HydrophobicContact CD2-CD1 3.61Å; L217-I247 HydrophobicContact CG-CD1 4.41Å; L244-I247 HydrophobicContact CB-CG2 4.38Å; L244-I247 WeakPolarHBondContact O-CG2 3.39Å; L244-I247 PolarHBondContact O-N 3.23Å; M245-I247 PolarHBondContact O-N 3.06Å; I247-F249 VanDerWaalsContact C-N 3.33Å; I247-A250 WeakPolarHBondContact O-CB 3.47Å; I247-A250 PolarHBondContact O-N 3.27Å; I247-A251 PolarHBondContact O-N 3.21Å |
| 248 | Y | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -67.4 | -40.2 | 175.1 | -67.6 | -96.6 | 0 | 0 | 0 | 110.2 | I191 L244 M245 A250 A251 V252 L294 F295 F298 P300 L303 | I191-Y248 HydrophobicContact CD1-CD1 3.81Å; I191-Y248 HydrophobicContact CD1-CD2 4.44Å; I191-Y248 HydrophobicContact CD1-CE1 3.7Å; I191-Y248 HydrophobicContact CD1-CE2 4.32Å; I191-Y248 HydrophobicContact CD1-CG 4.18Å; I191-Y248 HydrophobicContact CG1-CE1 4.22Å; L244-Y248 HydrophobicContact CB-CE2 4.29Å; L244-Y248 WeakPolarHBondContact O-CD2 3.48Å; M245-Y248 PolarHBondContact O-N 3.11Å; M245-Y248 VanDerWaalsContact O-N 3.11Å; Y248-A250 VanDerWaalsContact C-N 3.33Å; Y248-A250 PolarHBondContact O-N 2.68Å; Y248-A251 WeakPolarHBondContact O-CB 3.46Å; Y248-A251 PolarHBondContact O-N 3.06Å; Y248-V252 WeakPolarHBondContact O-CG2 3.37Å; Y248-V252 PolarHBondContact O-N 3.18Å; Y248-L294 HydrophobicContact CD1-CB 3.91Å; Y248-F295 HydrophobicContact CD1-CB 4.11Å; Y248-F295 AromaticContact CD2-CD2 3.8Å; Y248-F295 HydrophobicContact CD2-CD2 3.8Å; Y248-F295 HydrophobicContact CE1-CB 4.24Å; Y248-F295 HydrophobicContact CE1-CD2 4.29Å; Y248-F295 AromaticContact CE2-CD2 3.54Å; Y248-F295 HydrophobicContact CE2-CD2 3.54Å; Y248-F295 HydrophobicContact CE2-CE2 4.08Å; Y248-F295 HydrophobicContact CG-CB 4.3Å; Y248-F295 HydrophobicContact CG-CD2 4.31Å; Y248-F295 AromaticContact CZ-CD2 3.79Å; Y248-F298 WeakPolarHBondContact CE1-O 3.38Å; Y248-F298 PolarHBondContact OH-O 3.03Å; Y248-P300 HydrophobicContact CE2-CG 4.2Å; Y248-P300 VanDerWaalsContact OH-CD 3.28Å; Y248-P300 WeakPolarHBondContact OH-CD 3.47Å; Y248-P300 WeakPolarHBondContact OH-CG 3.42Å; Y248-L303 HydrophobicContact CE1-CD1 4.32Å; Y248-L303 WeakPolarHBondContact OH-CD1 3.18Å |
| 249 | F | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.5 | -40 | 174.6 | -168.3 | -107.6 | 0 | 0 | 0 | 111.9 | F221 L234 F238 M245 P246 I247 V252 I253 Y284 L287 I288 A291 | F221-F249 HydrophobicContact CD1-CD1 4.34Å; F221-F249 HydrophobicContact CD1-CE1 4.31Å; F221-F249 HydrophobicContact CD2-CD1 4.08Å; F221-F249 HydrophobicContact CD2-CE1 4.49Å; F221-F249 AromaticContact CE1-CD1 3.91Å; F221-F249 HydrophobicContact CE1-CD1 3.91Å; F221-F249 HydrophobicContact CE1-CE1 4.22Å; F221-F249 AromaticContact CE2-CD1 3.65Å; F221-F249 HydrophobicContact CE2-CD1 3.65Å; F221-F249 HydrophobicContact CE2-CE1 4.44Å; F221-F249 HydrophobicContact CG-CD1 4.44Å; F221-F249 HydrophobicContact CG-CE1 4.46Å; F221-F249 AromaticContact CZ-CD1 3.56Å; F221-F249 HydrophobicContact CZ-CD1 3.56Å; F221-F249 HydrophobicContact CZ-CE1 4.3Å; L234-F249 HydrophobicContact CD1-CE1 3.74Å; L234-F249 HydrophobicContact CD1-CZ 4.13Å; L234-F249 HydrophobicContact CD2-CD1 4.22Å; L234-F249 HydrophobicContact CD2-CD2 4.29Å; L234-F249 HydrophobicContact CD2-CE1 3.7Å; L234-F249 HydrophobicContact CD2-CE2 3.78Å; L234-F249 HydrophobicContact CD2-CG 4.5Å; L234-F249 HydrophobicContact CD2-CZ 3.48Å; L234-F249 VanDerWaalsContact CD2-CZ 3.48Å; L234-F249 HydrophobicContact CG-CE1 4.41Å; L234-F249 HydrophobicContact CG-CZ 4.44Å; F238-F249 HydrophobicContact CE1-CB 4.11Å; F238-F249 HydrophobicContact CE1-CG 4.4Å; F238-F249 HydrophobicContact CZ-CB 4.31Å; F238-F249 HydrophobicContact CZ-CD1 4.14Å; F238-F249 HydrophobicContact CZ-CG 4.33Å; M245-F249 PolarHBondContact O-N 3.33Å; P246-F249 PolarHBondContact O-N 2.74Å; I247-F249 VanDerWaalsContact C-N 3.33Å; F249-V252 PolarHBondContact O-N 3.42Å; F249-I253 HydrophobicContact CD1-CD1 3.85Å; F249-I253 HydrophobicContact CE1-CD1 3.52Å; F249-I253 HydrophobicContact CE1-CG1 4.33Å; F249-I253 HydrophobicContact CZ-CD1 4.12Å; F249-I253 WeakPolarHBondContact O-CG1 3.38Å; F249-I253 PolarHBondContact O-N 2.88Å; F249-I253 VanDerWaalsContact O-N 3.09Å; F249-Y284 HydrophobicContact CZ-CD1 4.24Å; F249-L287 HydrophobicContact CD2-CB 4.47Å; F249-L287 HydrophobicContact CE2-CB 3.67Å; F249-L287 HydrophobicContact CZ-CB 4.29Å; F249-I288 HydrophobicContact CD2-CG1 4.43Å; F249-I288 HydrophobicContact CE2-CG1 3.91Å; F249-A291 HydrophobicContact CB-CB 4.3Å; F249-A291 HydrophobicContact CD2-CB 4.15Å |
| 250 | A | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.1 | -45.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | L188 W216 L217 F221 P246 I247 Y248 V252 I253 V254 | L188-A250 HydrophobicContact CD1-CB 4.26Å; W216-A250 HydrophobicContact CE3-CB 3.81Å; W216-A250 HydrophobicContact CZ3-CB 4.14Å; L217-A250 HydrophobicContact CD1-CB 4.1Å; F221-A250 HydrophobicContact CZ-CB 4.08Å; P246-A250 PolarHBondContact O-N 3.11Å; I247-A250 WeakPolarHBondContact O-CB 3.47Å; I247-A250 PolarHBondContact O-N 3.27Å; Y248-A250 VanDerWaalsContact C-N 3.33Å; Y248-A250 PolarHBondContact O-N 2.68Å; A250-V252 VanDerWaalsContact C-N 3.34Å; A250-V252 PolarHBondContact O-N 3.26Å; A250-I253 PolarHBondContact O-N 2.67Å; A250-V254 WeakPolarHBondContact O-CG2 3.32Å; A250-V254 PolarHBondContact O-N 3.44Å; A250-V254 VanDerWaalsContact O-N 3.09Å |
| 251 | A | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L188 I191 I192 I247 Y248 I253 V254 L255 | L188-A251 HydrophobicContact CD1-CB 3.69Å; I191-A251 HydrophobicContact CB-CB 4.13Å; I191-A251 HydrophobicContact CG2-CB 3.54Å; I192-A251 HydrophobicContact CG1-CB 4.48Å; I247-A251 PolarHBondContact O-N 3.21Å; Y248-A251 WeakPolarHBondContact O-CB 3.46Å; Y248-A251 PolarHBondContact O-N 3.06Å; A251-I253 VanDerWaalsContact C-N 3.3Å; A251-I253 PolarHBondContact O-N 2.94Å; A251-V254 PolarHBondContact O-N 3.27Å; A251-L255 WeakPolarHBondContact O-CB 3.42Å; A251-L255 VanDerWaalsContact O-CG 3.28Å; A251-L255 WeakPolarHBondContact O-CG 3.49Å; A251-L255 PolarHBondContact O-N 2.86Å |
| 252 | V | 97.5 | Very high | 96.2 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.024 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.4 | -35.1 | 177.5 | 172.2 | 0 | 0 | 0 | 0 | 112.2 | Y248 F249 A250 Y256 L287 R290 A291 L294 | Y248-V252 WeakPolarHBondContact O-CG2 3.37Å; Y248-V252 PolarHBondContact O-N 3.18Å; F249-V252 PolarHBondContact O-N 3.42Å; A250-V252 VanDerWaalsContact C-N 3.34Å; A250-V252 PolarHBondContact O-N 3.26Å; V252-Y256 WeakPolarHBondContact O-CB 3.42Å; V252-Y256 PolarHBondContact O-N 3.27Å; V252-L287 HydrophobicContact CG1-CB 3.82Å; V252-L287 HydrophobicContact CG1-CD2 3.57Å; V252-L287 HydrophobicContact CG1-CG 4.24Å; V252-R290 HydrophobicContact CG1-CB 3.83Å; V252-R290 HydrophobicContact CG2-CB 4.01Å; V252-A291 HydrophobicContact CG2-CB 4.08Å; V252-L294 HydrophobicContact CG2-CD1 3.46Å; V252-L294 VanDerWaalsContact CG2-CD1 3.46Å; V252-L294 HydrophobicContact CG2-CG 4.16Å |
| 253 | I | 96.9 | Very high | 96.4 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.015 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.8 | -44.1 | 174.7 | -71.7 | 166.5 | 0 | 0 | 0 | 110.9 | W216 F221 F249 A250 A251 Y256 R257 L282 L287 | W216-I253 HydrophobicContact CZ3-CG2 4.43Å; F221-I253 HydrophobicContact CD1-CD1 4.1Å; F221-I253 HydrophobicContact CE1-CD1 3.53Å; F221-I253 HydrophobicContact CZ-CD1 4.31Å; F249-I253 HydrophobicContact CD1-CD1 3.85Å; F249-I253 HydrophobicContact CE1-CD1 3.52Å; F249-I253 HydrophobicContact CE1-CG1 4.33Å; F249-I253 HydrophobicContact CZ-CD1 4.12Å; F249-I253 WeakPolarHBondContact O-CG1 3.38Å; F249-I253 PolarHBondContact O-N 2.88Å; F249-I253 VanDerWaalsContact O-N 3.09Å; A250-I253 PolarHBondContact O-N 2.67Å; A251-I253 VanDerWaalsContact C-N 3.3Å; A251-I253 PolarHBondContact O-N 2.94Å; I253-Y256 PolarHBondContact O-N 3.34Å; I253-R257 WeakPolarHBondContact O-CG 3.32Å; I253-R257 PolarHBondContact O-N 3.23Å; I253-L282 HydrophobicContact CG1-CD1 4.28Å; I253-L282 HydrophobicContact CG2-CD1 4.32Å; I253-L287 HydrophobicContact CG1-CD1 4.1Å |
| 254 | V | 97 | Very high | 96.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.5 | -49 | 177.6 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | I192 V199 M203 F212 W216 A250 A251 Y256 R257 E258 L275 | I192-V254 HydrophobicContact CD1-CB 4.19Å; I192-V254 HydrophobicContact CD1-CG1 3.85Å; V199-V254 HydrophobicContact CG1-CG1 4.35Å; M203-V254 HydrophobicContact CE-CG1 4.41Å; M203-V254 HydrophobicContact SD-CG1 3.83Å; F212-V254 HydrophobicContact CE2-CG2 3.9Å; F212-V254 HydrophobicContact CZ-CG2 4.06Å; W216-V254 HydrophobicContact CH2-CG2 4.42Å; W216-V254 HydrophobicContact CZ3-CG2 4.32Å; A250-V254 WeakPolarHBondContact O-CG2 3.32Å; A250-V254 PolarHBondContact O-N 3.44Å; A250-V254 VanDerWaalsContact O-N 3.09Å; A251-V254 PolarHBondContact O-N 3.27Å; V254-Y256 VanDerWaalsContact C-N 3.3Å; V254-Y256 PolarHBondContact O-N 3.01Å; V254-R257 CarbonylContact O-C 3.2Å; V254-R257 PolarHBondContact O-N 3.09Å; V254-E258 PolarHBondContact O-N 2.95Å; V254-L275 HydrophobicContact CG1-CD2 4.4Å; V254-L275 HydrophobicContact CG2-CD2 4.23Å |
| 255 | L | 97.3 | Very high | 96.6 | Very high | 16 Ų | 16 | 37.4 Ų | 37.4 | 8% | 0.084 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.4 | -32.4 | 179 | -69.6 | 165.4 | 0 | 0 | 0 | 112.9 | I192 I195 N196 A251 R257 E258 L294 | I192-L255 HydrophobicContact CG2-CD2 4.11Å; I195-L255 HydrophobicContact CB-CD1 3.85Å; I195-L255 HydrophobicContact CB-CD2 4.13Å; I195-L255 HydrophobicContact CG1-CD1 4.15Å; I195-L255 HydrophobicContact CG2-CD1 3.77Å; I195-L255 HydrophobicContact CG2-CD2 3.93Å; I195-L255 HydrophobicContact CG2-CG 4.42Å; N196-L255 HydrophobicContact CB-CD2 3.66Å; A251-L255 WeakPolarHBondContact O-CB 3.42Å; A251-L255 VanDerWaalsContact O-CG 3.28Å; A251-L255 WeakPolarHBondContact O-CG 3.49Å; A251-L255 PolarHBondContact O-N 2.86Å; L255-R257 PolarHBondContact O-N 3.15Å; L255-E258 WeakPolarHBondContact O-CB 3.07Å; L255-E258 WeakPolarHBondContact O-CG 3.44Å; L255-E258 PolarHBondContact O-N 3.21Å; L255-L294 HydrophobicContact CD1-CD1 4.19Å |
| 256 | Y | 97.1 | Very high | 96.5 | Very high | 103 Ų | 103 | 39.7 Ų | 39.7 | 40% | 0.404 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.6 | -26 | 174.1 | 179 | -96.5 | 0 | 0 | 0 | 112.5 | V252 I253 V254 L282 P283 L287 | V252-Y256 WeakPolarHBondContact O-CB 3.42Å; V252-Y256 PolarHBondContact O-N 3.27Å; I253-Y256 PolarHBondContact O-N 3.34Å; V254-Y256 VanDerWaalsContact C-N 3.3Å; V254-Y256 PolarHBondContact O-N 3.01Å; Y256-L282 HydrophobicContact CD1-CD2 3.52Å; Y256-L282 HydrophobicContact CE1-CD2 3.51Å; Y256-P283 HydrophobicContact CD2-CG 4.26Å; Y256-P283 HydrophobicContact CE1-CG 4.43Å; Y256-P283 HydrophobicContact CE2-CG 3.54Å; Y256-L287 HydrophobicContact CD2-CD2 3.79Å; Y256-L287 HydrophobicContact CG-CD2 3.8Å |
| 257 | R | 96.1 | Very high | 96.1 | Very high | 13 Ų | 13 | 42 Ų | 42 | 5% | 0.049 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 25.1 | -179.8 | -59.6 | -177 | 70 | -159.6 | 1.4 | 112 | I253 V254 L255 D259 E260 V261 L274 Q277 | I253-R257 WeakPolarHBondContact O-CG 3.32Å; I253-R257 PolarHBondContact O-N 3.23Å; V254-R257 CarbonylContact O-C 3.2Å; V254-R257 PolarHBondContact O-N 3.09Å; L255-R257 PolarHBondContact O-N 3.15Å; R257-D259 VanDerWaalsContact C-N 3.31Å; R257-D259 PolarHBondContact O-N 3.41Å; R257-E260 HydrophobicContact CB-CB 4.48Å; R257-E260 WeakPolarHBondContact CG-OE1 3.25Å; R257-E260 IonicContact CZ-OE1 3.21Å; R257-E260 IonicContact CZ-OE2 2.59Å; R257-E260 IonicContact NE-OE1 3.94Å; R257-E260 PolarHBondContact NE-OE1 3.5Å; R257-E260 IonicContact NE-OE2 3.31Å; R257-E260 PolarHBondContact NE-OE2 3.37Å; R257-E260 IonicContact NH2-OE1 3.69Å; R257-E260 IonicContact NH2-OE2 3.4Å; R257-E260 PolarHBondContact NH2-OE2 3.39Å; R257-E260 PolarHBondContact O-N 3.13Å; R257-E260 VanDerWaalsContact O-N 3.16Å; R257-V261 WeakPolarHBondContact O-CG2 3.36Å; R257-V261 PolarHBondContact O-N 3.01Å; R257-L274 PolarHBondContact NH1-O 3.43Å; R257-Q277 PolarHBondContact NH1-O 2.92Å |
| 258 | E | 96.8 | Very high | 95.8 | Very high | 70 Ų | 70 | 47.2 Ų | 47.2 | 33% | 0.327 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -54.4 | -45.5 | -177.1 | 59.1 | -170.3 | -178.5 | 0 | 0 | 112.7 | N196 V199 V254 L255 E260 V261 L262 | N196-E258 PolarHBondContact ND2-OE2 3.23Å; V199-E258 HydrophobicContact CG2-CB 3.55Å; V254-E258 PolarHBondContact O-N 2.95Å; L255-E258 WeakPolarHBondContact O-CB 3.07Å; L255-E258 WeakPolarHBondContact O-CG 3.44Å; L255-E258 PolarHBondContact O-N 3.21Å; E258-E260 PolarHBondContact O-N 2.86Å; E258-V261 PolarHBondContact O-N 3.07Å; E258-L262 WeakPolarHBondContact O-CG 3.33Å; E258-L262 PolarHBondContact O-N 3.35Å |
| 259 | D | 97 | Very high | 95.4 | Very high | 116 Ų | 116 | 50.3 Ų | 50.3 | 62% | 0.62 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -59.5 | -46.1 | 178 | -63.3 | -31.4 | 0 | 0 | 0 | 111.5 | R257 V261 L262 D263 | R257-D259 VanDerWaalsContact C-N 3.31Å; R257-D259 PolarHBondContact O-N 3.41Å; D259-V261 VanDerWaalsContact C-N 3.3Å; D259-V261 PolarHBondContact O-N 3.24Å; D259-L262 PolarHBondContact O-N 3.26Å; D259-D263 VanDerWaalsContact O-CB 3.3Å; D259-D263 WeakPolarHBondContact O-CB 3.38Å; D259-D263 PolarHBondContact O-N 2.93Å |
| 260 | E | 96.6 | Very high | 95.3 | Very high | 83 Ų | 83 | 51.9 Ų | 51.9 | 39% | 0.388 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.8 | -35.2 | 178.8 | -62.5 | 178.6 | -101.8 | 0 | 0 | 112.3 | R257 E258 C264 L274 | R257-E260 HydrophobicContact CB-CB 4.48Å; R257-E260 WeakPolarHBondContact CG-OE1 3.25Å; R257-E260 IonicContact CZ-OE1 3.21Å; R257-E260 IonicContact CZ-OE2 2.59Å; R257-E260 IonicContact NE-OE1 3.94Å; R257-E260 PolarHBondContact NE-OE1 3.5Å; R257-E260 IonicContact NE-OE2 3.31Å; R257-E260 PolarHBondContact NE-OE2 3.37Å; R257-E260 IonicContact NH2-OE1 3.69Å; R257-E260 IonicContact NH2-OE2 3.4Å; R257-E260 PolarHBondContact NH2-OE2 3.39Å; R257-E260 PolarHBondContact O-N 3.13Å; R257-E260 VanDerWaalsContact O-N 3.16Å; E258-E260 PolarHBondContact O-N 2.86Å; E260-C264 PolarHBondContact O-N 3.13Å; E260-L274 HydrophobicContact CB-CD1 4.37Å; E260-L274 HydrophobicContact CB-CD2 4.08Å; E260-L274 VanDerWaalsContact O-CD2 3.28Å; E260-L274 WeakPolarHBondContact O-CD2 3.48Å |
| 261 | V | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.7 | -46.7 | 178.3 | 172.1 | 0 | 0 | 0 | 0 | 110.2 | V199 F202 M203 R257 E258 D259 D263 C264 L274 L275 | V199-V261 HydrophobicContact CG1-CG1 4.31Å; F202-V261 HydrophobicContact CD1-CG1 3.83Å; F202-V261 HydrophobicContact CE1-CG1 4.08Å; F202-V261 WeakPolarHBondContact CE1-O 3.39Å; F202-V261 VanDerWaalsContact CZ-O 3.27Å; F202-V261 WeakPolarHBondContact CZ-O 3.42Å; M203-V261 HydrophobicContact CG-CG1 4.22Å; R257-V261 WeakPolarHBondContact O-CG2 3.36Å; R257-V261 PolarHBondContact O-N 3.01Å; E258-V261 PolarHBondContact O-N 3.07Å; D259-V261 VanDerWaalsContact C-N 3.3Å; D259-V261 PolarHBondContact O-N 3.24Å; V261-D263 VanDerWaalsContact C-N 3.33Å; V261-D263 PolarHBondContact O-N 3.37Å; V261-C264 WeakPolarHBondContact O-CB 3.35Å; V261-C264 PolarHBondContact O-N 3.13Å; V261-L274 HydrophobicContact CG2-CD2 3.99Å; V261-L275 HydrophobicContact CG2-CD2 3.82Å |
| 262 | L | 96.8 | Very high | 94.9 | Very high | 44 Ų | 44 | 54.9 Ų | 54.9 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.7 | -28.3 | -178.7 | -66.4 | 174.5 | 0 | 0 | 0 | 113 | E198 V199 F202 E258 D259 C264 | E198-L262 HydrophobicContact CG-CD1 4.15Å; E198-L262 HydrophobicContact CG-CD2 3.98Å; V199-L262 HydrophobicContact CG2-CD1 4.15Å; V199-L262 HydrophobicContact CG2-CD2 4.31Å; V199-L262 HydrophobicContact CG2-CG 4.15Å; F202-L262 HydrophobicContact CB-CD2 3.77Å; F202-L262 HydrophobicContact CD2-CD2 4.15Å; F202-L262 HydrophobicContact CG-CD2 3.94Å; E258-L262 WeakPolarHBondContact O-CG 3.33Å; E258-L262 PolarHBondContact O-N 3.35Å; D259-L262 PolarHBondContact O-N 3.26Å; L262-C264 VanDerWaalsContact C-N 3.27Å |
| 263 | D | 96.9 | Very high | 94.7 | Very high | 146 Ų | 146 | 60.3 Ų | 60.3 | 78% | 0.781 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -7.4 | 174.3 | -77 | -16.5 | 0 | 0 | 0 | 113.4 | D259 V261 | D259-D263 VanDerWaalsContact O-CB 3.3Å; D259-D263 WeakPolarHBondContact O-CB 3.38Å; D259-D263 PolarHBondContact O-N 2.93Å; V261-D263 VanDerWaalsContact C-N 3.33Å; V261-D263 PolarHBondContact O-N 3.37Å |
| 264 | C | 94.4 | Very high | 94.6 | Very high | 34 Ų | 34 | 61.8 Ų | 61.8 | 23% | 0.23 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -75.8 | 162.6 | -178.8 | -157.2 | 0 | 0 | 0 | 0 | 112.2 | F202 E260 V261 L262 C266 S270 L274 | F202-C264 HydrophobicContact CZ-CB 4.48Å; F202-C264 WeakPolarHBondContact CZ-O 3.29Å; E260-C264 PolarHBondContact O-N 3.13Å; V261-C264 WeakPolarHBondContact O-CB 3.35Å; V261-C264 PolarHBondContact O-N 3.13Å; L262-C264 VanDerWaalsContact C-N 3.27Å; C264-C266 PolarHBondContact O-N 3.39Å; C264-S270 VanDerWaalsContact SG-CB 3.6Å; C264-L274 HydrophobicContact CB-CD2 4.35Å |
| 265 | E | 93.9 | Very high | 94.4 | Very high | 143 Ų | 143 | 61.9 Ų | 61.9 | 67% | 0.668 | 32% | 0.322 | S | S | * | . | trans | -65 | 129.8 | 165.6 | -67.3 | -173.7 | -179.7 | 0 | 0 | 109.1 | D267 | E265-D267 WeakPolarHBondContact CB-OD2 3.31Å; E265-D267 PolarHBondContact O-N 2.91Å | ||
| 266 | C | 94 | Very high | 94.1 | Very high | 53 Ų | 53 | 63.2 Ų | 63.2 | 36% | 0.358 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -77.5 | 63.7 | -175.9 | -172.7 | 0 | 0 | 0 | 0 | 111.4 | F202 C264 | F202-C266 HydrophobicContact CD2-CB 4.39Å; F202-C266 HydrophobicContact CE2-CB 3.62Å; F202-C266 HydrophobicContact CZ-CB 3.74Å; C264-C266 PolarHBondContact O-N 3.39Å |
| 267 | D | 88.5 | Confident | 93.7 | Very high | 54 Ų | 54 | 63.8 Ų | 63.8 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -139.9 | 157.8 | 175.2 | 77.2 | 88.2 | 0 | 0 | 0 | 111.5 | A206 E265 A269 S270 V271 | A206-D267 CarbonylContact O-C 3.4Å; E265-D267 WeakPolarHBondContact CB-OD2 3.31Å; E265-D267 PolarHBondContact O-N 2.91Å; D267-A269 VanDerWaalsContact C-N 3.29Å; D267-A269 PolarHBondContact O-N 2.88Å; D267-A269 WeakPolarHBondContact OD1-CA 3.45Å; D267-A269 WeakPolarHBondContact OD1-CB 3.24Å; D267-A269 PolarHBondContact OD1-N 3.4Å; D267-S270 PolarHBondContact O-N 3.37Å; D267-S270 PolarHBondContact OD1-N 3.02Å; D267-S270 PolarHBondContact OD1-OG 2.64Å; D267-S270 WeakPolarHBondContact OD2-CB 3.4Å; D267-S270 PolarHBondContact OD2-OG 3.34Å; D267-V271 WeakPolarHBondContact O-CG2 3.32Å; D267-V271 PolarHBondContact O-N 3.15Å |
| 268 | M | 89.4 | Confident | 93.3 | Very high | 110 Ų | 110 | 63.6 Ų | 63.6 | 54% | 0.542 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.2 | -42 | -175.1 | -174.9 | -146.3 | 167 | 0 | 0 | 112.4 | A206 H272 | A206-M268 WeakPolarHBondContact O-CA 3.47Å; A206-M268 WeakPolarHBondContact O-CB 3.37Å; A206-M268 PolarHBondContact O-N 3.5Å; M268-H272 WeakPolarHBondContact O-CB 3.42Å; M268-H272 PolarHBondContact O-N 2.77Å |
| 269 | A | 89.3 | Confident | 92.9 | Very high | 65 Ų | 65 | 61.8 Ų | 61.8 | 54% | 0.537 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -72.6 | -44.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D267 H273 | D267-A269 VanDerWaalsContact C-N 3.29Å; D267-A269 PolarHBondContact O-N 2.88Å; D267-A269 WeakPolarHBondContact OD1-CA 3.45Å; D267-A269 WeakPolarHBondContact OD1-CB 3.24Å; D267-A269 PolarHBondContact OD1-N 3.4Å; A269-H273 VanDerWaalsContact O-CB 3.26Å; A269-H273 WeakPolarHBondContact O-CB 3.29Å; A269-H273 PolarHBondContact O-N 3.48Å |
| 270 | S | 94.3 | Very high | 92.4 | Very high | 32 Ų | 32 | 60 Ų | 60 | 22% | 0.224 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64 | -49.9 | -179.7 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | C264 D267 H272 H273 L274 | C264-S270 VanDerWaalsContact SG-CB 3.6Å; D267-S270 PolarHBondContact O-N 3.37Å; D267-S270 PolarHBondContact OD1-N 3.02Å; D267-S270 PolarHBondContact OD1-OG 2.64Å; D267-S270 WeakPolarHBondContact OD2-CB 3.4Å; D267-S270 PolarHBondContact OD2-OG 3.34Å; S270-H272 PolarHBondContact O-N 3.05Å; S270-H273 PolarHBondContact O-N 3.1Å; S270-L274 PolarHBondContact O-N 2.88Å |
| 271 | V | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66 | -41.2 | 178.7 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | F202 A206 V208 D267 H273 L274 L275 | F202-V271 HydrophobicContact CE1-CG2 3.73Å; A206-V271 HydrophobicContact CB-CG2 3.82Å; V208-V271 HydrophobicContact CB-CB 4.2Å; V208-V271 HydrophobicContact CB-CG1 4.08Å; V208-V271 HydrophobicContact CG1-CG1 4.01Å; V208-V271 HydrophobicContact CG2-CB 4.02Å; V208-V271 HydrophobicContact CG2-CG1 3.92Å; D267-V271 WeakPolarHBondContact O-CG2 3.32Å; D267-V271 PolarHBondContact O-N 3.15Å; V271-H273 VanDerWaalsContact C-N 3.34Å; V271-H273 PolarHBondContact O-N 2.93Å; V271-L274 PolarHBondContact O-N 2.71Å; V271-L275 HydrophobicContact CG1-CD1 3.82Å; V271-L275 HydrophobicContact CG1-CG 4.32Å; V271-L275 WeakPolarHBondContact O-CB 3.24Å; V271-L275 WeakPolarHBondContact O-CG 3.2Å; V271-L275 PolarHBondContact O-N 3.43Å |
| 272 | H | 92.1 | Very high | 91.6 | Very high | 64 Ų | 64 | 63.3 Ų | 63.3 | 30% | 0.296 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 176.5 | -174 | 80.9 | 0 | 0 | 0 | 111.9 | V208 M268 S270 S276 | V208-H272 HydrophobicContact CG2-CB 3.95Å; M268-H272 WeakPolarHBondContact O-CB 3.42Å; M268-H272 PolarHBondContact O-N 2.77Å; S270-H272 PolarHBondContact O-N 3.05Å; H272-S276 PolarHBondContact NE2-OG 3.11Å; H272-S276 WeakPolarHBondContact O-CB 3.46Å; H272-S276 PolarHBondContact O-N 3.44Å; H272-S276 PolarHBondContact O-OG 3.26Å |
| 273 | H | 93.4 | Very high | 91.5 | Very high | 118 Ų | 118 | 63.2 Ų | 63.2 | 55% | 0.546 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.1 | -48.2 | 178.2 | -177.7 | 77.4 | 0 | 0 | 0 | 111.6 | A269 S270 V271 Q277 | A269-H273 VanDerWaalsContact O-CB 3.26Å; A269-H273 WeakPolarHBondContact O-CB 3.29Å; A269-H273 PolarHBondContact O-N 3.48Å; S270-H273 PolarHBondContact O-N 3.1Å; V271-H273 VanDerWaalsContact C-N 3.34Å; V271-H273 PolarHBondContact O-N 2.93Å; H273-Q277 PolarHBondContact CE1-NE2 3.09Å; H273-Q277 PolarHBondContact NE2-NE2 3.33Å |
| 274 | L | 94.9 | Very high | 91.2 | Very high | 34 Ų | 34 | 57 Ų | 57 | 18% | 0.178 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58 | -51.7 | 178.4 | 177.9 | 71.7 | 0 | 0 | 0 | 111.5 | R257 E260 V261 C264 S270 V271 Q277 | R257-L274 PolarHBondContact NH1-O 3.43Å; E260-L274 HydrophobicContact CB-CD1 4.37Å; E260-L274 HydrophobicContact CB-CD2 4.08Å; E260-L274 VanDerWaalsContact O-CD2 3.28Å; E260-L274 WeakPolarHBondContact O-CD2 3.48Å; V261-L274 HydrophobicContact CG2-CD2 3.99Å; C264-L274 HydrophobicContact CB-CD2 4.35Å; S270-L274 PolarHBondContact O-N 2.88Å; V271-L274 PolarHBondContact O-N 2.71Å; L274-Q277 PolarHBondContact O-N 3.12Å; L274-Q277 VanDerWaalsContact O-O 3.11Å |
| 275 | L | 93.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.1 | -41.8 | -175.3 | -69 | 177.5 | 0 | 0 | 0 | 110.9 | M203 F212 W216 V254 V261 V271 Q277 | M203-L275 HydrophobicContact CE-CD1 4.06Å; F212-L275 HydrophobicContact CB-CB 4.42Å; F212-L275 HydrophobicContact CD1-CD1 4Å; F212-L275 HydrophobicContact CD2-CB 3.69Å; F212-L275 HydrophobicContact CD2-CD1 4.09Å; F212-L275 HydrophobicContact CD2-CG 4.49Å; F212-L275 HydrophobicContact CE1-CD1 3.67Å; F212-L275 HydrophobicContact CE2-CB 4.07Å; F212-L275 HydrophobicContact CE2-CD1 3.79Å; F212-L275 HydrophobicContact CE2-CG 4.42Å; F212-L275 HydrophobicContact CG-CB 3.98Å; F212-L275 HydrophobicContact CG-CD1 4.21Å; F212-L275 HydrophobicContact CZ-CD1 3.57Å; W216-L275 WeakPolarHBondContact CZ2-O 3.5Å; V254-L275 HydrophobicContact CG1-CD2 4.4Å; V254-L275 HydrophobicContact CG2-CD2 4.23Å; V261-L275 HydrophobicContact CG2-CD2 3.82Å; V271-L275 HydrophobicContact CG1-CD1 3.82Å; V271-L275 HydrophobicContact CG1-CG 4.32Å; V271-L275 WeakPolarHBondContact O-CB 3.24Å; V271-L275 WeakPolarHBondContact O-CG 3.2Å; V271-L275 PolarHBondContact O-N 3.43Å; L275-Q277 PolarHBondContact O-N 3.19Å |
| 276 | S | 90.6 | Very high | 91.3 | Very high | 45 Ų | 45 | 54.7 Ų | 54.7 | 32% | 0.315 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.8 | -20.4 | 179.7 | -63.9 | 0 | 0 | 0 | 0 | 114 | H272 | H272-S276 PolarHBondContact NE2-OG 3.11Å; H272-S276 WeakPolarHBondContact O-CB 3.46Å; H272-S276 PolarHBondContact O-N 3.44Å; H272-S276 PolarHBondContact O-OG 3.26Å |
| 277 | Q | 89.1 | Confident | 91.4 | Very high | 114 Ų | 114 | 52.2 Ų | 52.2 | 53% | 0.533 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -99.5 | 107.5 | 173.3 | -62.8 | -174.7 | 14.3 | 0 | 0 | 110.8 | R257 H273 L274 L275 | R257-Q277 PolarHBondContact NH1-O 2.92Å; H273-Q277 PolarHBondContact CE1-NE2 3.09Å; H273-Q277 PolarHBondContact NE2-NE2 3.33Å; L274-Q277 PolarHBondContact O-N 3.12Å; L274-Q277 VanDerWaalsContact O-O 3.11Å; L275-Q277 PolarHBondContact O-N 3.19Å |
| 278 | I | 88.1 | Confident | 91.8 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 5% | 0.046 | 27% | 0.27 | C | S | . | . | trans | -86 | 125.4 | 175.5 | -59.1 | -179.7 | 0 | 0 | 0 | 109.7 | W216 F221 V224 L225 Q280 L282 | W216-I278 HydrophobicContact CD2-CD1 3.87Å; W216-I278 HydrophobicContact CE3-CD1 4.45Å; W216-I278 HydrophobicContact CG-CD1 4.13Å; W216-I278 HydrophobicContact CZ2-CD1 4.14Å; W216-I278 HydrophobicContact CZ2-CG1 4.02Å; F221-I278 HydrophobicContact CD1-CD1 3.98Å; F221-I278 HydrophobicContact CE1-CD1 4.31Å; V224-I278 HydrophobicContact CB-CD1 4.08Å; V224-I278 HydrophobicContact CG1-CB 3.7Å; V224-I278 HydrophobicContact CG1-CD1 3.7Å; V224-I278 HydrophobicContact CG1-CG1 3.69Å; L225-I278 HydrophobicContact CD2-CG2 4.45Å; I278-Q280 PolarHBondContact O-NE2 3.47Å; I278-L282 HydrophobicContact CG2-CD1 3.4Å; I278-L282 HydrophobicContact CG2-CG 4.47Å | ||
| 279 | P | 88.9 | Confident | 92 | Very high | 33 Ų | 33 | 47.9 Ų | 47.9 | 21% | 0.214 | 27% | 0.267 | C | S | . | . | trans | -57.1 | 142.2 | 170.9 | -23.3 | 33.7 | 0 | 0 | 0 | 111.7 | L282 | P279-L282 HydrophobicContact CB-CD2 4.26Å; P279-L282 HydrophobicContact CB-CG 4.21Å; P279-L282 HydrophobicContact CG-CD2 4.4Å; P279-L282 WeakPolarHBondContact O-CG 3.21Å | ||
| 280 | Q | 85.6 | Confident | 92.3 | Very high | 79 Ų | 79 | 50.6 Ų | 50.6 | 37% | 0.369 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -14.1 | -173.2 | -59.8 | -62.1 | -53.6 | 0 | 0 | 113.3 | V224 S226 I278 Y284 | V224-Q280 PolarHBondContact O-NE2 3.45Å; V224-Q280 VanDerWaalsContact O-NE2 3.13Å; S226-Q280 VanDerWaalsContact CB-OE1 3.25Å; S226-Q280 PolarHBondContact OG-OE1 2.9Å; I278-Q280 PolarHBondContact O-NE2 3.47Å; Q280-Y284 PolarHBondContact O-OH 2.87Å |
| 281 | D | 86.8 | Confident | 92.5 | Very high | 142 Ų | 142 | 49.1 Ų | 49.1 | 76% | 0.759 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | 23 | -176.6 | 61.9 | -31 | 0 | 0 | 0 | 113 | ||
| 282 | L | 90 | Very high | 92.5 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.052 | 26% | 0.264 | C | S | . | . | trans | -59 | 144.2 | 176.7 | -74.1 | 178 | 0 | 0 | 0 | 112 | I253 Y256 I278 P279 Y284 L287 | I253-L282 HydrophobicContact CG1-CD1 4.28Å; I253-L282 HydrophobicContact CG2-CD1 4.32Å; Y256-L282 HydrophobicContact CD1-CD2 3.52Å; Y256-L282 HydrophobicContact CE1-CD2 3.51Å; I278-L282 HydrophobicContact CG2-CD1 3.4Å; I278-L282 HydrophobicContact CG2-CG 4.47Å; P279-L282 HydrophobicContact CB-CD2 4.26Å; P279-L282 HydrophobicContact CB-CG 4.21Å; P279-L282 HydrophobicContact CG-CD2 4.4Å; P279-L282 WeakPolarHBondContact O-CG 3.21Å; L282-Y284 HydrophobicContact CB-CD1 4.35Å; L282-Y284 HydrophobicContact CB-CE1 3.92Å; L282-Y284 HydrophobicContact CB-CE2 4.28Å; L282-Y284 HydrophobicContact CD1-CE1 4.4Å; L282-Y284 WeakPolarHBondContact O-CD2 3.03Å; L282-Y284 WeakPolarHBondContact O-CE2 3.47Å; L282-Y284 PolarHBondContact O-N 3.48Å; L282-L287 HydrophobicContact CB-CD1 3.89Å; L282-L287 HydrophobicContact CD1-CD1 4.12Å; L282-L287 HydrophobicContact CD2-CD1 4.39Å; L282-L287 HydrophobicContact CG-CD1 4.37Å | ||
| 283 | P | 94.1 | Very high | 92.6 | Very high | 42 Ų | 42 | 51 Ų | 51 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | trans | -77.4 | 70 | 178.4 | 32.5 | -35.8 | 0 | 0 | 0 | 111.2 | Y256 E285 T286 L287 | Y256-P283 HydrophobicContact CD2-CG 4.26Å; Y256-P283 HydrophobicContact CE1-CG 4.43Å; Y256-P283 HydrophobicContact CE2-CG 3.54Å; P283-E285 VanDerWaalsContact C-N 3.33Å; P283-E285 PolarHBondContact O-N 3.02Å; P283-E285 VanDerWaalsContact O-N 3.15Å; P283-T286 WeakPolarHBondContact O-CA 3.42Å; P283-T286 WeakPolarHBondContact O-CB 3.24Å; P283-T286 PolarHBondContact O-N 2.83Å; P283-L287 HydrophobicContact CG-CD2 4.36Å; P283-L287 HydrophobicContact CG-CG 4.3Å; P283-L287 WeakPolarHBondContact O-CG 3.39Å; P283-L287 PolarHBondContact O-N 3.41Å | ||
| 284 | Y | 91.9 | Very high | 92.6 | Very high | 15 Ų | 15 | 46 Ų | 46 | 6% | 0.059 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -51.8 | -42.2 | -168.6 | -63.7 | -73.1 | 0 | 0 | 0 | 114.5 | L225 H230 F249 Q280 L282 T286 L287 I288 | L225-Y284 HydrophobicContact CD1-CE1 4.39Å; L225-Y284 HydrophobicContact CD2-CE1 3.79Å; L225-Y284 VanDerWaalsContact CD2-OH 3.27Å; L225-Y284 WeakPolarHBondContact CD2-OH 3.4Å; H230-Y284 HydrophobicContact CB-CD2 4.18Å; H230-Y284 HydrophobicContact CB-CE2 4.15Å; H230-Y284 AromaticContact CD2-CD2 3.85Å; H230-Y284 AromaticContact CE1-CD2 3.86Å; H230-Y284 AromaticContact CE1-CE2 3.64Å; H230-Y284 AromaticContact CG-CD2 3.66Å; H230-Y284 AromaticContact CG-CE2 3.65Å; H230-Y284 AromaticContact ND1-CD2 3.64Å; H230-Y284 AromaticContact ND1-CE2 3.22Å; H230-Y284 WeakPolarHBondContact ND1-CE2 3.31Å; F249-Y284 HydrophobicContact CZ-CD1 4.24Å; Q280-Y284 PolarHBondContact O-OH 2.87Å; L282-Y284 HydrophobicContact CB-CD1 4.35Å; L282-Y284 HydrophobicContact CB-CE1 3.92Å; L282-Y284 HydrophobicContact CB-CE2 4.28Å; L282-Y284 HydrophobicContact CD1-CE1 4.4Å; L282-Y284 WeakPolarHBondContact O-CD2 3.03Å; L282-Y284 WeakPolarHBondContact O-CE2 3.47Å; L282-Y284 PolarHBondContact O-N 3.48Å; Y284-T286 VanDerWaalsContact C-N 3.33Å; Y284-T286 PolarHBondContact O-N 3.18Å; Y284-L287 PolarHBondContact O-N 3.23Å; Y284-I288 WeakPolarHBondContact O-CB 3.35Å; Y284-I288 WeakPolarHBondContact O-CG1 3.41Å; Y284-I288 PolarHBondContact O-N 3.44Å |
| 285 | E | 94.1 | Very high | 92.6 | Very high | 59 Ų | 59 | 46.5 Ų | 46.5 | 28% | 0.276 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.1 | -39 | 178.8 | -66.9 | -65 | 169 | 0 | 0 | 112.1 | E53 G54 R233 P283 I288 S289 | E53-E285 WeakPolarHBondContact CA-OE2 3.15Å; E53-E285 HydrophobicContact CG-CG 4.21Å; G54-E285 VanDerWaalsContact CA-OE1 3.32Å; G54-E285 WeakPolarHBondContact CA-OE1 3.44Å; G54-E285 VanDerWaalsContact N-CD 3.33Å; G54-E285 PolarHBondContact N-OE1 3.33Å; G54-E285 PolarHBondContact N-OE2 3.11Å; R233-E285 IonicContact CZ-OE1 3.35Å; R233-E285 IonicContact CZ-OE2 2.74Å; R233-E285 IonicContact NE-OE1 3.11Å; R233-E285 PolarHBondContact NE-OE1 3.46Å; R233-E285 IonicContact NE-OE2 3.13Å; R233-E285 PolarHBondContact NE-OE2 3.36Å; R233-E285 IonicContact NH2-OE1 2.74Å; R233-E285 IonicContact NH2-OE2 3.46Å; R233-E285 PolarHBondContact NH2-OE2 2.61Å; P283-E285 VanDerWaalsContact C-N 3.33Å; P283-E285 PolarHBondContact O-N 3.02Å; P283-E285 VanDerWaalsContact O-N 3.15Å; E285-I288 PolarHBondContact O-N 2.87Å; E285-S289 PolarHBondContact O-N 2.77Å |
| 286 | T | 95.4 | Very high | 92.6 | Very high | 70 Ų | 70 | 52 Ų | 52 | 43% | 0.429 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66 | -42.8 | 173.8 | -53.2 | 0 | 0 | 0 | 0 | 110.9 | P283 Y284 S289 R290 | P283-T286 WeakPolarHBondContact O-CA 3.42Å; P283-T286 WeakPolarHBondContact O-CB 3.24Å; P283-T286 PolarHBondContact O-N 2.83Å; Y284-T286 VanDerWaalsContact C-N 3.33Å; Y284-T286 PolarHBondContact O-N 3.18Å; T286-S289 PolarHBondContact O-N 3.21Å; T286-R290 WeakPolarHBondContact O-CG 3.32Å; T286-R290 PolarHBondContact O-N 3.25Å |
| 287 | L | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 178.9 | -57 | 179.7 | 0 | 0 | 0 | 111.8 | F249 V252 I253 Y256 L282 P283 Y284 R290 A291 | F249-L287 HydrophobicContact CD2-CB 4.47Å; F249-L287 HydrophobicContact CE2-CB 3.67Å; F249-L287 HydrophobicContact CZ-CB 4.29Å; V252-L287 HydrophobicContact CG1-CB 3.82Å; V252-L287 HydrophobicContact CG1-CD2 3.57Å; V252-L287 HydrophobicContact CG1-CG 4.24Å; I253-L287 HydrophobicContact CG1-CD1 4.1Å; Y256-L287 HydrophobicContact CD2-CD2 3.79Å; Y256-L287 HydrophobicContact CG-CD2 3.8Å; L282-L287 HydrophobicContact CB-CD1 3.89Å; L282-L287 HydrophobicContact CD1-CD1 4.12Å; L282-L287 HydrophobicContact CD2-CD1 4.39Å; L282-L287 HydrophobicContact CG-CD1 4.37Å; P283-L287 HydrophobicContact CG-CD2 4.36Å; P283-L287 HydrophobicContact CG-CG 4.3Å; P283-L287 WeakPolarHBondContact O-CG 3.39Å; P283-L287 PolarHBondContact O-N 3.41Å; Y284-L287 PolarHBondContact O-N 3.23Å; L287-R290 PolarHBondContact O-N 3.17Å; L287-A291 WeakPolarHBondContact O-CB 3.26Å; L287-A291 PolarHBondContact O-N 3.27Å |
| 288 | I | 96.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 174.4 | -72 | 166.3 | 0 | 0 | 0 | 110.4 | R233 L234 F237 F249 Y284 E285 A291 G292 | R233-I288 HydrophobicContact CG-CD1 4.15Å; L234-I288 HydrophobicContact CD2-CD1 3.82Å; L234-I288 HydrophobicContact CD2-CG1 3.79Å; F237-I288 HydrophobicContact CB-CG2 4.39Å; F237-I288 HydrophobicContact CD1-CG1 4.28Å; F237-I288 HydrophobicContact CD1-CG2 4.02Å; F237-I288 HydrophobicContact CD2-CG2 3.67Å; F237-I288 HydrophobicContact CE1-CG2 4.13Å; F237-I288 HydrophobicContact CE2-CG2 3.8Å; F237-I288 HydrophobicContact CG-CG2 3.78Å; F237-I288 HydrophobicContact CZ-CG2 4.02Å; F249-I288 HydrophobicContact CD2-CG1 4.43Å; F249-I288 HydrophobicContact CE2-CG1 3.91Å; Y284-I288 WeakPolarHBondContact O-CB 3.35Å; Y284-I288 WeakPolarHBondContact O-CG1 3.41Å; Y284-I288 PolarHBondContact O-N 3.44Å; E285-I288 PolarHBondContact O-N 2.87Å; I288-A291 PolarHBondContact O-N 2.94Å; I288-G292 PolarHBondContact O-N 3.34Å; I288-G292 VanDerWaalsContact O-N 3.13Å |
| 289 | S | 94.9 | Very high | 92.8 | Very high | 69 Ų | 69 | 52 Ų | 52 | 48% | 0.483 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.9 | -50 | 176.5 | -169.6 | 0 | 0 | 0 | 0 | 111.2 | E285 T286 A291 G292 D293 | E285-S289 PolarHBondContact O-N 2.77Å; T286-S289 PolarHBondContact O-N 3.21Å; S289-A291 VanDerWaalsContact C-N 3.29Å; S289-A291 PolarHBondContact O-N 3.24Å; S289-G292 PolarHBondContact O-N 2.79Å; S289-G292 VanDerWaalsContact O-N 3.14Å; S289-D293 PolarHBondContact O-N 3.26Å |
| 290 | R | 96.1 | Very high | 92.7 | Very high | 123 Ų | 123 | 51 Ų | 51 | 46% | 0.464 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.3 | -37.6 | 178.5 | -73.7 | -179.5 | -179 | -168 | 0.4 | 112.2 | V252 T286 L287 G292 D293 L294 | V252-R290 HydrophobicContact CG1-CB 3.83Å; V252-R290 HydrophobicContact CG2-CB 4.01Å; T286-R290 WeakPolarHBondContact O-CG 3.32Å; T286-R290 PolarHBondContact O-N 3.25Å; L287-R290 PolarHBondContact O-N 3.17Å; R290-G292 VanDerWaalsContact C-N 3.32Å; R290-G292 PolarHBondContact O-N 2.83Å; R290-D293 PolarHBondContact O-N 3.39Å; R290-L294 WeakPolarHBondContact O-CG 3.35Å; R290-L294 PolarHBondContact O-N 3.13Å |
| 291 | A | 97.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | F237 M245 F249 V252 L287 I288 S289 F295 | F237-A291 HydrophobicContact CE1-CB 4.24Å; F237-A291 HydrophobicContact CZ-CB 4.26Å; M245-A291 HydrophobicContact SD-CB 4.25Å; F249-A291 HydrophobicContact CB-CB 4.3Å; F249-A291 HydrophobicContact CD2-CB 4.15Å; V252-A291 HydrophobicContact CG2-CB 4.08Å; L287-A291 WeakPolarHBondContact O-CB 3.26Å; L287-A291 PolarHBondContact O-N 3.27Å; I288-A291 PolarHBondContact O-N 2.94Å; S289-A291 VanDerWaalsContact C-N 3.29Å; S289-A291 PolarHBondContact O-N 3.24Å; A291-F295 WeakPolarHBondContact O-CB 3.28Å; A291-F295 PolarHBondContact O-N 3.18Å |
| 292 | G | 93.9 | Very high | 92.1 | Very high | 21 Ų | 21 | 49.4 Ų | 49.4 | 22% | 0.216 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.5 | -45 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I288 S289 R290 L294 F295 V296 | I288-G292 PolarHBondContact O-N 3.34Å; I288-G292 VanDerWaalsContact O-N 3.13Å; S289-G292 PolarHBondContact O-N 2.79Å; S289-G292 VanDerWaalsContact O-N 3.14Å; R290-G292 VanDerWaalsContact C-N 3.32Å; R290-G292 PolarHBondContact O-N 2.83Å; G292-L294 PolarHBondContact O-N 3.25Å; G292-F295 WeakPolarHBondContact O-CB 3.33Å; G292-F295 PolarHBondContact O-N 2.88Å; G292-V296 WeakPolarHBondContact O-CG2 3.4Å; G292-V296 PolarHBondContact O-N 3.35Å; G292-V296 VanDerWaalsContact O-N 3.1Å |
| 293 | D | 93.6 | Very high | 91.5 | Very high | 83 Ų | 83 | 49.1 Ų | 49.1 | 44% | 0.444 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 178.5 | -62.9 | -30.8 | 0 | 0 | 0 | 112 | S289 R290 V296 Q297 | S289-D293 PolarHBondContact O-N 3.26Å; R290-D293 PolarHBondContact O-N 3.39Å; D293-V296 PolarHBondContact O-N 2.72Å; D293-Q297 WeakPolarHBondContact O-CB 3.18Å; D293-Q297 VanDerWaalsContact O-CG 3.3Å; D293-Q297 WeakPolarHBondContact O-CG 3.49Å; D293-Q297 PolarHBondContact O-N 2.89Å; D293-Q297 PolarHBondContact O-NE2 3.34Å |
| 294 | L | 94.2 | Very high | 90.4 | Very high | 14 Ų | 14 | 48.4 Ų | 48.4 | 7% | 0.073 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 175.2 | -69.6 | -169 | 0 | 0 | 0 | 111.9 | I191 I195 Y248 V252 L255 R290 G292 V296 Q297 F298 | I191-L294 HydrophobicContact CG2-CD1 3.89Å; I195-L294 HydrophobicContact CD1-CD2 3.49Å; I195-L294 VanDerWaalsContact CD1-CD2 3.49Å; I195-L294 HydrophobicContact CG1-CD2 3.58Å; Y248-L294 HydrophobicContact CD1-CB 3.91Å; V252-L294 HydrophobicContact CG2-CD1 3.46Å; V252-L294 VanDerWaalsContact CG2-CD1 3.46Å; V252-L294 HydrophobicContact CG2-CG 4.16Å; L255-L294 HydrophobicContact CD1-CD1 4.19Å; R290-L294 WeakPolarHBondContact O-CG 3.35Å; R290-L294 PolarHBondContact O-N 3.13Å; G292-L294 PolarHBondContact O-N 3.25Å; L294-V296 VanDerWaalsContact C-N 3.3Å; L294-V296 PolarHBondContact O-N 3.16Å; L294-Q297 PolarHBondContact O-N 2.75Å; L294-F298 HydrophobicContact CD2-CD2 4.43Å; L294-F298 HydrophobicContact CD2-CE2 4.26Å; L294-F298 PolarHBondContact O-N 3.24Å |
| 295 | F | 94.3 | Very high | 89 | Confident | 43 Ų | 43 | 56.1 Ų | 56.1 | 19% | 0.189 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.5 | -38.2 | 178 | -176.1 | -86.2 | 0 | 0 | 0 | 112.3 | H242 M245 Y248 A291 G292 F298 P299 P300 | H242-F295 HydrophobicContact CB-CE1 4.44Å; H242-F295 HydrophobicContact CB-CE2 3.52Å; H242-F295 HydrophobicContact CB-CZ 3.43Å; H242-F295 VanDerWaalsContact CB-CZ 3.43Å; H242-F295 AromaticContact CG-CE2 3.77Å; H242-F295 AromaticContact CG-CZ 3.71Å; M245-F295 HydrophobicContact CE-CB 3.64Å; M245-F295 HydrophobicContact CE-CD1 4.21Å; M245-F295 HydrophobicContact CE-CD2 3.74Å; M245-F295 HydrophobicContact CE-CE2 4.49Å; M245-F295 HydrophobicContact CE-CG 3.59Å; M245-F295 HydrophobicContact SD-CB 4.3Å; Y248-F295 HydrophobicContact CD1-CB 4.11Å; Y248-F295 AromaticContact CD2-CD2 3.8Å; Y248-F295 HydrophobicContact CD2-CD2 3.8Å; Y248-F295 HydrophobicContact CE1-CB 4.24Å; Y248-F295 HydrophobicContact CE1-CD2 4.29Å; Y248-F295 AromaticContact CE2-CD2 3.54Å; Y248-F295 HydrophobicContact CE2-CD2 3.54Å; Y248-F295 HydrophobicContact CE2-CE2 4.08Å; Y248-F295 HydrophobicContact CG-CB 4.3Å; Y248-F295 HydrophobicContact CG-CD2 4.31Å; Y248-F295 AromaticContact CZ-CD2 3.79Å; A291-F295 WeakPolarHBondContact O-CB 3.28Å; A291-F295 PolarHBondContact O-N 3.18Å; G292-F295 WeakPolarHBondContact O-CB 3.33Å; G292-F295 PolarHBondContact O-N 2.88Å; F295-F298 CarbonylContact O-C 3.59Å; F295-P299 WeakPolarHBondContact O-CA 3.39Å; F295-P300 HydrophobicContact CD2-CG 4.35Å; F295-P300 VanDerWaalsContact CE2-CD 3.47Å; F295-P300 HydrophobicContact CE2-CG 3.54Å; F295-P300 HydrophobicContact CZ-CG 4.05Å |
| 296 | V | 92.4 | Very high | 87.4 | Confident | 117 Ų | 117 | 56.3 Ų | 56.3 | 71% | 0.709 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -71 | -40.3 | 176.7 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | G292 D293 L294 | G292-V296 WeakPolarHBondContact O-CG2 3.4Å; G292-V296 PolarHBondContact O-N 3.35Å; G292-V296 VanDerWaalsContact O-N 3.1Å; D293-V296 PolarHBondContact O-N 2.72Å; L294-V296 VanDerWaalsContact C-N 3.3Å; L294-V296 PolarHBondContact O-N 3.16Å |
| 297 | Q | 91.9 | Very high | 85.6 | Confident | 110 Ų | 110 | 53.1 Ų | 53.1 | 51% | 0.514 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -71.4 | -37.6 | -179.5 | -74.4 | 172.1 | 77.3 | 0 | 0 | 113 | D293 L294 | D293-Q297 WeakPolarHBondContact O-CB 3.18Å; D293-Q297 VanDerWaalsContact O-CG 3.3Å; D293-Q297 WeakPolarHBondContact O-CG 3.49Å; D293-Q297 PolarHBondContact O-N 2.89Å; D293-Q297 PolarHBondContact O-NE2 3.34Å; L294-Q297 PolarHBondContact O-N 2.75Å |
| 298 | F | 91.9 | Very high | 83.5 | Confident | 28 Ų | 28 | 55 Ų | 55 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -129.8 | 70.5 | -176.2 | -50.7 | -69.4 | 0 | 0 | 0 | 109.9 | R194 I195 Y248 L294 F295 L303 | R194-F298 HydrophobicContact CB-CD1 4.28Å; R194-F298 HydrophobicContact CB-CE1 3.75Å; R194-F298 HydrophobicContact CB-CE2 4.14Å; R194-F298 HydrophobicContact CB-CZ 3.67Å; R194-F298 HydrophobicContact CG-CD1 4.17Å; R194-F298 HydrophobicContact CG-CE1 3.95Å; R194-F298 HydrophobicContact CG-CZ 4.38Å; I195-F298 HydrophobicContact CD1-CE2 3.57Å; I195-F298 HydrophobicContact CD1-CZ 4.1Å; I195-F298 HydrophobicContact CG1-CE2 4.16Å; Y248-F298 WeakPolarHBondContact CE1-O 3.38Å; Y248-F298 PolarHBondContact OH-O 3.03Å; L294-F298 HydrophobicContact CD2-CD2 4.43Å; L294-F298 HydrophobicContact CD2-CE2 4.26Å; L294-F298 PolarHBondContact O-N 3.24Å; F295-F298 CarbonylContact O-C 3.59Å; F298-L303 HydrophobicContact CB-CD1 4.23Å; F298-L303 HydrophobicContact CB-CD2 4.22Å; F298-L303 HydrophobicContact CB-CG 4.27Å; F298-L303 WeakPolarHBondContact O-CD1 3.28Å |
| 299 | P | 90 | Very high | 81.3 | Confident | 30 Ų | 30 | 62.5 Ų | 62.5 | 20% | 0.195 | 33% | 0.327 | C | S | . | . | trans | -62.9 | 149.9 | -176.1 | 26.1 | -34.5 | 0 | 0 | 0 | 111.1 | F295 S301 E302 L303 | F295-P299 WeakPolarHBondContact O-CA 3.39Å; P299-S301 PolarHBondContact O-N 3.33Å; P299-E302 HydrophobicContact CG-CB 4.37Å; P299-E302 HydrophobicContact CG-CG 3.91Å; P299-E302 PolarHBondContact O-N 3.32Å; P299-L303 PolarHBondContact O-N 2.85Å | ||
| 300 | P | 85.8 | Confident | 79 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 7% | 0.071 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.7 | -29.2 | -176.6 | -26.8 | 32 | 0 | 0 | 0 | 114.9 | L244 Y248 F295 E302 L303 A304 | L244-P300 HydrophobicContact CB-CG 4.38Å; L244-P300 HydrophobicContact CD1-CB 3.52Å; L244-P300 HydrophobicContact CD1-CG 3.76Å; Y248-P300 HydrophobicContact CE2-CG 4.2Å; Y248-P300 VanDerWaalsContact OH-CD 3.28Å; Y248-P300 WeakPolarHBondContact OH-CD 3.47Å; Y248-P300 WeakPolarHBondContact OH-CG 3.42Å; F295-P300 HydrophobicContact CD2-CG 4.35Å; F295-P300 VanDerWaalsContact CE2-CD 3.47Å; F295-P300 HydrophobicContact CE2-CG 3.54Å; F295-P300 HydrophobicContact CZ-CG 4.05Å; P300-E302 VanDerWaalsContact C-N 3.26Å; P300-E302 PolarHBondContact O-N 3.43Å; P300-L303 PolarHBondContact O-N 3.05Å; P300-A304 WeakPolarHBondContact O-CA 3.41Å; P300-A304 WeakPolarHBondContact O-CB 3.23Å; P300-A304 PolarHBondContact O-N 3.21Å |
| 301 | S | 80.9 | Confident | 76.5 | Confident | 78 Ų | 78 | 69.4 Ų | 69.4 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.3 | -29.5 | 177.1 | 48.3 | 0 | 0 | 0 | 0 | 113.6 | P299 | P299-S301 PolarHBondContact O-N 3.33Å |
| 302 | E | 79.6 | Confident | 73.7 | Confident | 111 Ų | 111 | 74.4 Ų | 74.4 | 52% | 0.519 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -80 | -48 | 176.5 | -69.3 | -179.6 | -171.1 | 0 | 0 | 110.3 | P299 P300 A304 R305 | P299-E302 HydrophobicContact CG-CB 4.37Å; P299-E302 HydrophobicContact CG-CG 3.91Å; P299-E302 PolarHBondContact O-N 3.32Å; P300-E302 VanDerWaalsContact C-N 3.26Å; P300-E302 PolarHBondContact O-N 3.43Å; E302-A304 VanDerWaalsContact C-N 3.28Å; E302-A304 PolarHBondContact O-N 2.6Å; E302-R305 WeakPolarHBondContact O-CB 3.49Å; E302-R305 PolarHBondContact O-N 3.48Å; E302-R305 VanDerWaalsContact O-N 3.16Å |
| 303 | L | 76.5 | Confident | 71.6 | Confident | 3 Ų | 3 | 80.6 Ų | 80.6 | 2% | 0.016 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.8 | -35 | 176.8 | -62.9 | 178.3 | 0 | 0 | 0 | 112.4 | Y187 P190 I191 Y248 F298 P299 P300 R305 E306 A307 | Y187-L303 HydrophobicContact CD1-CB 3.73Å; Y187-L303 HydrophobicContact CD1-CD1 4.23Å; Y187-L303 HydrophobicContact CE1-CB 3.99Å; P190-L303 HydrophobicContact CB-CD2 4.17Å; I191-L303 HydrophobicContact CD1-CD1 3.93Å; I191-L303 HydrophobicContact CG1-CD1 3.51Å; Y248-L303 HydrophobicContact CE1-CD1 4.32Å; Y248-L303 WeakPolarHBondContact OH-CD1 3.18Å; F298-L303 HydrophobicContact CB-CD1 4.23Å; F298-L303 HydrophobicContact CB-CD2 4.22Å; F298-L303 HydrophobicContact CB-CG 4.27Å; F298-L303 WeakPolarHBondContact O-CD1 3.28Å; P299-L303 PolarHBondContact O-N 2.85Å; P300-L303 PolarHBondContact O-N 3.05Å; L303-R305 PolarHBondContact O-N 3.24Å; L303-E306 PolarHBondContact O-N 3.36Å; L303-A307 WeakPolarHBondContact O-CB 3.13Å; L303-A307 PolarHBondContact O-N 3.22Å |
| 304 | A | 70.9 | Confident | 69.7 | Low | 28 Ų | 28 | 84.8 Ų | 84.8 | 23% | 0.231 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.8 | -27.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y187 P300 E302 E306 A308 | Y187-A304 HydrophobicContact CE1-CB 4.21Å; Y187-A304 WeakPolarHBondContact OH-CB 3.43Å; P300-A304 WeakPolarHBondContact O-CA 3.41Å; P300-A304 WeakPolarHBondContact O-CB 3.23Å; P300-A304 PolarHBondContact O-N 3.21Å; E302-A304 VanDerWaalsContact C-N 3.28Å; E302-A304 PolarHBondContact O-N 2.6Å; A304-E306 VanDerWaalsContact C-N 3.31Å; A304-A308 WeakPolarHBondContact O-CA 3.44Å; A304-A308 WeakPolarHBondContact O-CB 3.47Å; A304-A308 PolarHBondContact O-N 3.03Å |
| 305 | R | 62.7 | Low | 68.2 | Low | 177 Ų | 177 | 84.8 Ų | 84.8 | 67% | 0.668 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -70.9 | -31.3 | 176.9 | -164.8 | -178.5 | 67 | 161.3 | 1.4 | 111.9 | E302 L303 Q309 | E302-R305 WeakPolarHBondContact O-CB 3.49Å; E302-R305 PolarHBondContact O-N 3.48Å; E302-R305 VanDerWaalsContact O-N 3.16Å; L303-R305 PolarHBondContact O-N 3.24Å; R305-Q309 WeakPolarHBondContact O-CG 3.34Å; R305-Q309 PolarHBondContact O-N 3.39Å |
| 306 | E | 60.5 | Low | 66.4 | Low | 63 Ų | 63 | 83 Ų | 83 | 29% | 0.294 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -83.2 | -42 | 177.5 | -72.5 | 164.7 | -161.5 | 0 | 0 | 110.3 | R194 L303 A304 | R194-E306 VanDerWaalsContact NH2-CD 3.29Å; R194-E306 IonicContact NH2-OE1 2.82Å; R194-E306 PolarHBondContact NH2-OE1 2.89Å; R194-E306 IonicContact NH2-OE2 2.98Å; R194-E306 PolarHBondContact NH2-OE2 3.06Å; L303-E306 PolarHBondContact O-N 3.36Å; A304-E306 VanDerWaalsContact C-N 3.31Å |
| 307 | A | 56.9 | Low | 65 | Low | 2 Ų | 2 | 78.1 Ų | 78.1 | 2% | 0.017 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68.8 | -32.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y187 L303 Q310 | Y187-A307 HydrophobicContact CE1-CB 4.47Å; Y187-A307 HydrophobicContact CE2-CB 4.47Å; L303-A307 WeakPolarHBondContact O-CB 3.13Å; L303-A307 PolarHBondContact O-N 3.22Å; A307-Q310 CarbonylContact O-C 3.42Å; A307-Q310 WeakPolarHBondContact O-CA 3.4Å; A307-Q310 WeakPolarHBondContact O-CB 3.49Å; A307-Q310 PolarHBondContact O-N 2.82Å; A307-Q310 VanDerWaalsContact O-N 3.14Å |
| 308 | A | 52.3 | Low | 63.3 | Low | 41 Ų | 41 | 76.1 Ų | 76.1 | 34% | 0.339 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -82.8 | -15.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | A304 Q310 Y311 | A304-A308 WeakPolarHBondContact O-CA 3.44Å; A304-A308 WeakPolarHBondContact O-CB 3.47Å; A304-A308 PolarHBondContact O-N 3.03Å; A308-Q310 PolarHBondContact O-N 3.28Å; A308-Q310 VanDerWaalsContact O-N 3.11Å; A308-Y311 WeakPolarHBondContact CA-O 3.43Å; A308-Y311 PolarHBondContact O-N 2.87Å |
| 309 | Q | 49.8 | Very low | 61.8 | Low | 160 Ų | 160 | 78.2 Ų | 78.2 | 75% | 0.748 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -16.8 | 161 | -77.7 | 175.4 | 13.7 | 0 | 0 | 111.2 | R305 | R305-Q309 WeakPolarHBondContact O-CG 3.34Å; R305-Q309 PolarHBondContact O-N 3.39Å |
| 310 | Q | 48.7 | Very low | 60.7 | Low | 130 Ų | 130 | 77.5 Ų | 77.5 | 61% | 0.607 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | 25 | 170.6 | -59.7 | 176.5 | -36.1 | 0 | 0 | 114.2 | A307 A308 | A307-Q310 CarbonylContact O-C 3.42Å; A307-Q310 WeakPolarHBondContact O-CA 3.4Å; A307-Q310 WeakPolarHBondContact O-CB 3.49Å; A307-Q310 PolarHBondContact O-N 2.82Å; A307-Q310 VanDerWaalsContact O-N 3.14Å; A308-Q310 PolarHBondContact O-N 3.28Å; A308-Q310 VanDerWaalsContact O-N 3.11Å |
| 311 | Y | 43.3 | Very low | 59.6 | Low | 207 Ų | 207 | 84 Ų | 84 | 81% | 0.812 | 42% | 0.424 | S | S | * | . | trans | 129.7 | 137.5 | 166.8 | -73.7 | -74 | 0 | 0 | 0 | 113.8 | A308 | A308-Y311 WeakPolarHBondContact CA-O 3.43Å; A308-Y311 PolarHBondContact O-N 2.87Å | ||
| 312 | S | 38.6 | Very low | 58.6 | Low | 105 Ų | 105 | 85.3 Ų | 85.3 | 73% | 0.734 | 43% | 0.425 | S | S | * | . | trans | -108 | 112.2 | -176 | 157 | 0 | 0 | 0 | 0 | 112 | ||||
| 313 | Q | 49.9 | Very low | 57.9 | Low | 151 Ų | 151 | 81 Ų | 81 | 71% | 0.706 | 41% | 0.405 | S | S | * | . | trans | -147.2 | 154.5 | 161.1 | -67 | -167.5 | 11.8 | 0 | 0 | 112.1 | T315 | Q313-T315 PolarHBondContact O-N 3.18Š| ||
| 314 | Q | 52.3 | Low | 57.4 | Low | 172 Ų | 172 | 82.7 Ų | 82.7 | 80% | 0.804 | 41% | 0.414 | S | S | * | . | trans | -71.7 | 102.3 | -176.5 | -67.2 | 173.2 | -10.5 | 0 | 0 | 111.7 | R171 | R171-Q314 PolarHBondContact NH1-O 2.91Š| ||
| 315 | T | 62.1 | Low | 57.3 | Low | 13 Ų | 13 | 85.4 Ų | 85.4 | 8% | 0.08 | 42% | 0.424 | C | S | . | . | trans | -91.9 | 163.4 | 179.8 | 44.3 | 0 | 0 | 0 | 0 | 113 | D172 Q313 A317 S318 | D172-T315 WeakPolarHBondContact OD2-CB 3.4Å; Q313-T315 PolarHBondContact O-N 3.18Å; T315-A317 PolarHBondContact O-N 2.72Å; T315-S318 WeakPolarHBondContact O-CB 3.2Å; T315-S318 PolarHBondContact O-N 2.87Å; T315-S318 PolarHBondContact O-OG 3.29Å | ||
| 316 | A | 58.2 | Low | 57.4 | Low | 5 Ų | 5 | 81 Ų | 81 | 4% | 0.041 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -53.3 | -25.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | H168 D172 S318 T319 F320 | H168-A316 WeakPolarHBondContact O-CB 3.39Å; D172-A316 PolarHBondContact OD1-N 3.01Å; D172-A316 WeakPolarHBondContact OD2-CB 3.49Å; D172-A316 PolarHBondContact OD2-N 2.7Å; A316-S318 VanDerWaalsContact C-N 3.29Å; A316-S318 PolarHBondContact O-N 3.28Å; A316-T319 PolarHBondContact O-N 3.01Å; A316-T319 PolarHBondContact O-OG1 3.46Å; A316-T319 VanDerWaalsContact O-OG1 3.14Å; A316-F320 PolarHBondContact O-N 3.4Å |
| 317 | A | 61.9 | Low | 57.5 | Low | 16 Ų | 16 | 78 Ų | 78 | 13% | 0.132 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.5 | -35.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | H242 L244 T315 T319 | H242-A317 PolarHBondContact NE2-O 3.5Å; L244-A317 HydrophobicContact CD1-CB 3.48Å; L244-A317 VanDerWaalsContact CD1-CB 3.48Å; L244-A317 HydrophobicContact CG-CB 3.91Å; T315-A317 PolarHBondContact O-N 2.72Å; A317-T319 VanDerWaalsContact C-N 3.34Å; A317-T319 PolarHBondContact O-N 3.15Å |
| 318 | S | 57.6 | Low | 57.6 | Low | 67 Ų | 67 | 83.6 Ų | 83.6 | 47% | 0.469 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -71.9 | -27 | -177.6 | 68.3 | 0 | 0 | 0 | 0 | 113.2 | T315 A316 | T315-S318 WeakPolarHBondContact O-CB 3.2Å; T315-S318 PolarHBondContact O-N 2.87Å; T315-S318 PolarHBondContact O-OG 3.29Å; A316-S318 VanDerWaalsContact C-N 3.29Å; A316-S318 PolarHBondContact O-N 3.28Å |
| 319 | T | 60.3 | Low | 57.9 | Low | 72 Ų | 72 | 88 Ų | 88 | 44% | 0.442 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -94.5 | -8.1 | -177.6 | 57 | 0 | 0 | 0 | 0 | 113.6 | A316 A317 K321 D322 F323 | A316-T319 PolarHBondContact O-N 3.01Å; A316-T319 PolarHBondContact O-OG1 3.46Å; A316-T319 VanDerWaalsContact O-OG1 3.14Å; A317-T319 VanDerWaalsContact C-N 3.34Å; A317-T319 PolarHBondContact O-N 3.15Å; T319-K321 PolarHBondContact O-N 3.17Å; T319-D322 PolarHBondContact O-N 3.38Å; T319-F323 PolarHBondContact O-N 3.43Å; T319-F323 VanDerWaalsContact O-N 3.14Å |
| 320 | F | 66.2 | Low | 58 | Low | 16 Ų | 16 | 82.7 Ų | 82.7 | 7% | 0.07 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.3 | -36.7 | -176.1 | -177.6 | -101.7 | 0 | 0 | 0 | 113.6 | C241 H242 P243 A316 D322 F323 D324 | C241-F320 WeakPolarHBondContact O-CE2 3.35Å; C241-F320 WeakPolarHBondContact O-CZ 3.41Å; H242-F320 HydrophobicContact CB-CD1 4.12Å; H242-F320 HydrophobicContact CB-CE1 3.99Å; H242-F320 HydrophobicContact CB-CZ 4.4Å; H242-F320 AromaticContact CD2-CD1 3.21Å; H242-F320 WeakPolarHBondContact CD2-CD1 3.49Å; H242-F320 AromaticContact CD2-CE1 3.93Å; H242-F320 AromaticContact CD2-CG 3.61Å; H242-F320 AromaticContact CG-CD1 3.89Å; P243-F320 VanDerWaalsContact CD-CE2 3.49Å; P243-F320 HydrophobicContact CG-CB 4.14Å; P243-F320 HydrophobicContact CG-CD2 3.62Å; P243-F320 HydrophobicContact CG-CE2 4.31Å; P243-F320 HydrophobicContact CG-CG 4.11Å; A316-F320 PolarHBondContact O-N 3.4Å; F320-D322 PolarHBondContact O-N 3.39Å; F320-F323 AromaticContact CD2-CD1 3.81Å; F320-F323 HydrophobicContact CD2-CD1 3.81Å; F320-F323 AromaticContact CE2-CD1 3.66Å; F320-F323 HydrophobicContact CE2-CD1 3.66Å; F320-F323 HydrophobicContact CE2-CE1 4.11Å; F320-F323 WeakPolarHBondContact O-CB 3.48Å; F320-F323 PolarHBondContact O-N 2.69Å; F320-F323 VanDerWaalsContact O-N 3.11Å; F320-D324 HydrophobicContact CD1-CB 4.41Å; F320-D324 HydrophobicContact CE1-CB 4.08Å; F320-D324 HydrophobicContact CZ-CB 4.39Å; F320-D324 WeakPolarHBondContact O-CB 3.33Å; F320-D324 PolarHBondContact O-N 3.2Å |
| 321 | K | 61.7 | Low | 58.2 | Low | 146 Ų | 146 | 85.2 Ų | 85.2 | 64% | 0.635 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -58.4 | -39.5 | 177.8 | -73.6 | -176.2 | 178 | 178.4 | 0 | 111.6 | T319 D324 L325 | T319-K321 PolarHBondContact O-N 3.17Å; K321-D324 PolarHBondContact O-N 3.04Å; K321-L325 WeakPolarHBondContact O-CB 3.23Å; K321-L325 WeakPolarHBondContact O-CD1 3.31Å; K321-L325 WeakPolarHBondContact O-CG 3.17Å; K321-L325 PolarHBondContact O-N 3.08Å |
| 322 | D | 60.4 | Low | 58.6 | Low | 107 Ų | 107 | 77.8 Ų | 77.8 | 57% | 0.572 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -69.7 | -41.3 | 176.2 | -63.4 | -27.6 | 0 | 0 | 0 | 111.2 | T319 F320 D324 V326 | T319-D322 PolarHBondContact O-N 3.38Å; F320-D322 PolarHBondContact O-N 3.39Å; D322-D324 VanDerWaalsContact C-N 3.32Å; D322-D324 PolarHBondContact O-N 3.06Å; D322-V326 WeakPolarHBondContact O-CB 3.31Å; D322-V326 WeakPolarHBondContact O-CG2 3.32Å; D322-V326 PolarHBondContact O-N 3.35Å |
| 323 | F | 65.8 | Low | 59.3 | Low | 19 Ų | 19 | 77.2 Ų | 77.2 | 8% | 0.083 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 173.6 | 172.2 | -97.1 | 0 | 0 | 0 | 112.1 | N71 H168 T319 F320 V326 S327 | N71-F323 HydrophobicContact CB-CE2 4.32Å; H168-F323 AromaticContact CD2-CD2 3.74Å; T319-F323 PolarHBondContact O-N 3.43Å; T319-F323 VanDerWaalsContact O-N 3.14Å; F320-F323 AromaticContact CD2-CD1 3.81Å; F320-F323 HydrophobicContact CD2-CD1 3.81Å; F320-F323 AromaticContact CE2-CD1 3.66Å; F320-F323 HydrophobicContact CE2-CD1 3.66Å; F320-F323 HydrophobicContact CE2-CE1 4.11Å; F320-F323 WeakPolarHBondContact O-CB 3.48Å; F320-F323 PolarHBondContact O-N 2.69Å; F320-F323 VanDerWaalsContact O-N 3.11Å; F323-V326 PolarHBondContact O-N 2.64Å; F323-S327 WeakPolarHBondContact O-CB 3.5Å; F323-S327 PolarHBondContact O-N 3.43Å |
| 324 | D | 66.5 | Low | 59.5 | Low | 40 Ų | 40 | 73.9 Ų | 73.9 | 21% | 0.214 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.3 | -50.1 | -178.8 | -165.9 | 3.3 | 0 | 0 | 0 | 111.7 | R47 F320 K321 D322 V326 S327 E328 | R47-D324 IonicContact CZ-OD1 2.99Å; R47-D324 IonicContact NH1-OD1 3.56Å; R47-D324 PolarHBondContact NH1-OD1 2.89Å; R47-D324 IonicContact NH1-OD2 3.29Å; R47-D324 PolarHBondContact NH1-OD2 3.43Å; R47-D324 IonicContact NH2-OD1 3.2Å; R47-D324 PolarHBondContact NH2-OD1 3.25Å; F320-D324 HydrophobicContact CD1-CB 4.41Å; F320-D324 HydrophobicContact CE1-CB 4.08Å; F320-D324 HydrophobicContact CZ-CB 4.39Å; F320-D324 WeakPolarHBondContact O-CB 3.33Å; F320-D324 PolarHBondContact O-N 3.2Å; K321-D324 PolarHBondContact O-N 3.04Å; D322-D324 VanDerWaalsContact C-N 3.32Å; D322-D324 PolarHBondContact O-N 3.06Å; D324-V326 VanDerWaalsContact C-N 3.25Å; D324-V326 PolarHBondContact O-N 3.3Å; D324-S327 WeakPolarHBondContact O-CA 3.38Å; D324-S327 VanDerWaalsContact O-CB 3.3Å; D324-S327 WeakPolarHBondContact O-CB 3.27Å; D324-S327 PolarHBondContact O-N 3.03Å; D324-E328 PolarHBondContact O-N 3.44Å |
| 325 | L | 67.1 | Low | 59.6 | Low | 85 Ų | 85 | 69.3 Ų | 69.3 | 45% | 0.445 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.4 | -38.9 | 175.7 | -72 | 169.4 | 0 | 0 | 0 | 112.2 | K321 Q329 | K321-L325 WeakPolarHBondContact O-CB 3.23Å; K321-L325 WeakPolarHBondContact O-CD1 3.31Å; K321-L325 WeakPolarHBondContact O-CG 3.17Å; K321-L325 PolarHBondContact O-N 3.08Å; L325-Q329 WeakPolarHBondContact O-CB 3.32Å; L325-Q329 WeakPolarHBondContact O-CG 3.48Å; L325-Q329 PolarHBondContact O-N 2.96Å |
| 326 | V | 66.1 | Low | 59.3 | Low | 83 Ų | 83 | 72.9 Ų | 72.9 | 50% | 0.503 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -70.7 | -33.1 | 176.9 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | N71 D322 F323 D324 | N71-V326 WeakPolarHBondContact ND2-CG1 3.35Å; D322-V326 WeakPolarHBondContact O-CB 3.31Å; D322-V326 WeakPolarHBondContact O-CG2 3.32Å; D322-V326 PolarHBondContact O-N 3.35Å; F323-V326 PolarHBondContact O-N 2.64Å; D324-V326 VanDerWaalsContact C-N 3.25Å; D324-V326 PolarHBondContact O-N 3.3Å |
| 327 | S | 62.3 | Low | 59.2 | Low | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 174.8 | -178.3 | 0 | 0 | 0 | 0 | 111.9 | R47 F323 D324 Q329 | R47-S327 PolarHBondContact NH2-OG 3.02Å; F323-S327 WeakPolarHBondContact O-CB 3.5Å; F323-S327 PolarHBondContact O-N 3.43Å; D324-S327 WeakPolarHBondContact O-CA 3.38Å; D324-S327 VanDerWaalsContact O-CB 3.3Å; D324-S327 WeakPolarHBondContact O-CB 3.27Å; D324-S327 PolarHBondContact O-N 3.03Å; S327-Q329 VanDerWaalsContact C-N 3.34Å; S327-Q329 PolarHBondContact O-N 3.28Å |
| 328 | E | 59.3 | Low | 59.1 | Low | 121 Ų | 121 | 87.6 Ų | 87.6 | 57% | 0.565 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -70.8 | -27.7 | 177.5 | -67.1 | -171.6 | 152.8 | 0 | 0 | 113.2 | D324 Q330 | D324-E328 PolarHBondContact O-N 3.44Å; E328-Q330 PolarHBondContact O-N 3.46Å |
| 329 | Q | 57.7 | Low | 59.3 | Low | 132 Ų | 132 | 91.3 Ų | 91.3 | 62% | 0.617 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 21 | -175.3 | -69.5 | 179.1 | 16.8 | 0 | 0 | 114.7 | L325 S327 R331 | L325-Q329 WeakPolarHBondContact O-CB 3.32Å; L325-Q329 WeakPolarHBondContact O-CG 3.48Å; L325-Q329 PolarHBondContact O-N 2.96Å; S327-Q329 VanDerWaalsContact C-N 3.34Å; S327-Q329 PolarHBondContact O-N 3.28Å; Q329-R331 PolarHBondContact O-N 3.11Å |
| 330 | Q | 51.5 | Low | 59.4 | Low | 49 Ų | 49 | 92.6 Ų | 92.6 | 23% | 0.229 | 44% | 0.441 | C | S | . | . | trans | -60.5 | 75.4 | 172.9 | -74.8 | -170.6 | -7.7 | 0 | 0 | 111.9 | P40 N71 E328 | P40-Q330 VanDerWaalsContact CB-O 3.27Å; P40-Q330 WeakPolarHBondContact CB-O 3.44Å; N71-Q330 PolarHBondContact OD1-NE2 3.35Å; E328-Q330 PolarHBondContact O-N 3.46Å | ||
| 331 | R | 53.5 | Low | 59.5 | Low | 183 Ų | 183 | 100.9 Ų | 100.9 | 69% | 0.691 | 47% | 0.471 | S | S | * | . | trans | -81.8 | 136.6 | 175.3 | -75.2 | -174.3 | 178.3 | 163.6 | 1.7 | 110 | Q329 D333 S334 | Q329-R331 PolarHBondContact O-N 3.11Å; R331-D333 PolarHBondContact O-N 3.32Å; R331-S334 PolarHBondContact O-N 3.14Å; R331-S334 PolarHBondContact O-OG 3.29Å | ||
| 332 | P | 52.6 | Low | 59.7 | Low | 52 Ų | 52 | 98.3 Ų | 98.3 | 34% | 0.338 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -55 | -25.2 | 176.2 | -23.9 | 32.6 | 0 | 0 | 0 | 114 | T39 S334 V335 L336 | T39-P332 HydrophobicContact CG2-CG 3.95Å; P332-S334 PolarHBondContact O-N 2.88Å; P332-V335 PolarHBondContact O-N 3.11Å; P332-L336 HydrophobicContact CB-CD1 4.24Å; P332-L336 WeakPolarHBondContact O-CB 3.19Å; P332-L336 VanDerWaalsContact O-CG 3.3Å; P332-L336 WeakPolarHBondContact O-CG 3.5Å; P332-L336 PolarHBondContact O-N 3.16Å |
| 333 | D | 52.8 | Low | 59.9 | Low | 93 Ų | 93 | 99.7 Ų | 99.7 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.8 | -28.4 | -175.4 | -77 | -11.3 | 0 | 0 | 0 | 114.7 | R331 R337 | R331-D333 PolarHBondContact O-N 3.32Å; D333-R337 WeakPolarHBondContact O-CB 3.33Å; D333-R337 WeakPolarHBondContact O-CG 3.37Å; D333-R337 PolarHBondContact O-N 3.3Å |
| 334 | S | 54 | Low | 59.9 | Low | 80 Ų | 80 | 104.6 Ų | 104.6 | 56% | 0.559 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -72 | -41.2 | 179.2 | 63 | 0 | 0 | 0 | 0 | 111.2 | R331 P332 R338 | R331-S334 PolarHBondContact O-N 3.14Å; R331-S334 PolarHBondContact O-OG 3.29Å; P332-S334 PolarHBondContact O-N 2.88Å; S334-R338 WeakPolarHBondContact O-CB 2.96Å; S334-R338 PolarHBondContact O-N 2.97Å |
| 335 | V | 54 | Low | 60 | Low | 76 Ų | 76 | 105.9 Ų | 105.9 | 46% | 0.461 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.4 | -41.8 | 174.3 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | P332 R338 R339 | P332-V335 PolarHBondContact O-N 3.11Å; V335-R338 PolarHBondContact O-N 3.03Å; V335-R339 WeakPolarHBondContact O-CB 3.49Å; V335-R339 WeakPolarHBondContact O-CG 3.31Å; V335-R339 PolarHBondContact O-N 3.44Å |
| 336 | L | 55.4 | Low | 59.8 | Low | 89 Ų | 89 | 108.1 Ų | 108.1 | 47% | 0.466 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 175.4 | -72.6 | 169.4 | 0 | 0 | 0 | 112.2 | P332 R339 L340 | P332-L336 HydrophobicContact CB-CD1 4.24Å; P332-L336 WeakPolarHBondContact O-CB 3.19Å; P332-L336 VanDerWaalsContact O-CG 3.3Å; P332-L336 WeakPolarHBondContact O-CG 3.5Å; P332-L336 PolarHBondContact O-N 3.16Å; L336-R339 PolarHBondContact O-N 3.17Å; L336-L340 VanDerWaalsContact O-CB 3.32Å; L336-L340 WeakPolarHBondContact O-CB 3.46Å; L336-L340 PolarHBondContact O-N 3.4Å |
| 337 | R | 57.5 | Low | 59.4 | Low | 171 Ų | 171 | 109.5 Ų | 109.5 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.5 | -37.5 | 174.2 | -78.7 | 175.9 | -179.2 | -170.1 | 0.9 | 112.1 | D333 L340 R341 | D333-R337 WeakPolarHBondContact O-CB 3.33Å; D333-R337 WeakPolarHBondContact O-CG 3.37Å; D333-R337 PolarHBondContact O-N 3.3Å; R337-L340 PolarHBondContact O-N 3.18Å; R337-R341 WeakPolarHBondContact O-CB 3.36Å; R337-R341 WeakPolarHBondContact O-CG 3.26Å; R337-R341 PolarHBondContact O-N 2.97Å |
| 338 | R | 60 | Low | 59.2 | Low | 158 Ų | 158 | 111.6 Ų | 111.6 | 60% | 0.596 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.4 | -46.9 | 174 | -174.5 | 175.6 | 175.8 | 171.9 | 3 | 111.1 | S334 V335 L340 R341 E342 | S334-R338 WeakPolarHBondContact O-CB 2.96Å; S334-R338 PolarHBondContact O-N 2.97Å; V335-R338 PolarHBondContact O-N 3.03Å; R338-L340 PolarHBondContact O-N 3Å; R338-R341 PolarHBondContact O-N 3.45Å; R338-E342 WeakPolarHBondContact CG-OE1 3.46Å; R338-E342 IonicContact NE-OE1 3.75Å; R338-E342 PolarHBondContact NE-OE1 2.97Å; R338-E342 VanDerWaalsContact NE-OE1 3.13Å; R338-E342 WeakPolarHBondContact O-CG 3.48Å; R338-E342 PolarHBondContact O-N 3.32Å |
| 339 | R | 61.1 | Low | 59.1 | Low | 145 Ų | 145 | 109 Ų | 109 | 55% | 0.547 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.2 | -37.7 | 175.1 | -72.6 | -177.4 | -176.5 | -175.7 | 3.9 | 112.9 | V335 L336 E342 K343 | V335-R339 WeakPolarHBondContact O-CB 3.49Å; V335-R339 WeakPolarHBondContact O-CG 3.31Å; V335-R339 PolarHBondContact O-N 3.44Å; L336-R339 PolarHBondContact O-N 3.17Å; R339-E342 PolarHBondContact O-N 3.11Å; R339-K343 WeakPolarHBondContact O-CB 3.36Å; R339-K343 PolarHBondContact O-N 2.87Å |
| 340 | L | 62.2 | Low | 58.8 | Low | 100 Ų | 100 | 105.5 Ų | 105.5 | 52% | 0.524 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 173.9 | -100.4 | 143.9 | 0 | 0 | 0 | 111.6 | L336 R337 R338 K343 Q344 | L336-L340 VanDerWaalsContact O-CB 3.32Å; L336-L340 WeakPolarHBondContact O-CB 3.46Å; L336-L340 PolarHBondContact O-N 3.4Å; R337-L340 PolarHBondContact O-N 3.18Å; R338-L340 PolarHBondContact O-N 3Å; L340-K343 PolarHBondContact O-N 3.27Å; L340-Q344 VanDerWaalsContact O-CB 3.29Å; L340-Q344 WeakPolarHBondContact O-CB 3.41Å; L340-Q344 VanDerWaalsContact O-CG 3.28Å; L340-Q344 WeakPolarHBondContact O-CG 3.37Å; L340-Q344 PolarHBondContact O-N 3.19Å |
| 341 | R | 67.3 | Low | 58.8 | Low | 189 Ų | 189 | 105.7 Ų | 105.7 | 71% | 0.713 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.9 | -42.2 | 175.4 | -78.1 | 178.8 | 177.6 | -175.5 | -0.9 | 112.3 | R337 R338 Q344 A345 | R337-R341 WeakPolarHBondContact O-CB 3.36Å; R337-R341 WeakPolarHBondContact O-CG 3.26Å; R337-R341 PolarHBondContact O-N 2.97Å; R338-R341 PolarHBondContact O-N 3.45Å; R341-Q344 PolarHBondContact O-N 3.35Å; R341-A345 VanDerWaalsContact O-CB 3.31Å; R341-A345 WeakPolarHBondContact O-CB 3.49Å; R341-A345 PolarHBondContact O-N 3.27Å |
| 342 | E | 66.5 | Low | 58.7 | Low | 92 Ų | 92 | 99 Ų | 99 | 43% | 0.43 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | 176.4 | -74 | 166.8 | -174 | 0 | 0 | 111.1 | R338 R339 A345 L346 | R338-E342 WeakPolarHBondContact CG-OE1 3.46Å; R338-E342 IonicContact NE-OE1 3.75Å; R338-E342 PolarHBondContact NE-OE1 2.97Å; R338-E342 VanDerWaalsContact NE-OE1 3.13Å; R338-E342 WeakPolarHBondContact O-CG 3.48Å; R338-E342 PolarHBondContact O-N 3.32Å; R339-E342 PolarHBondContact O-N 3.11Å; E342-A345 PolarHBondContact O-N 3.02Å; E342-L346 WeakPolarHBondContact O-CD1 3.49Å; E342-L346 PolarHBondContact O-N 3.08Å |
| 343 | K | 65 | Low | 58.6 | Low | 136 Ų | 136 | 99.7 Ų | 99.7 | 59% | 0.591 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.1 | -41.4 | 175.6 | -160.8 | 178.4 | -178.7 | -173.4 | 0 | 112.5 | R339 L340 A345 L346 E347 | R339-K343 WeakPolarHBondContact O-CB 3.36Å; R339-K343 PolarHBondContact O-N 2.87Å; L340-K343 PolarHBondContact O-N 3.27Å; K343-A345 VanDerWaalsContact C-N 3.33Å; K343-A345 PolarHBondContact O-N 2.89Å; K343-L346 PolarHBondContact O-N 2.69Å; K343-E347 WeakPolarHBondContact CE-OE1 3.31Å; K343-E347 WeakPolarHBondContact O-CB 3.37Å; K343-E347 WeakPolarHBondContact O-CG 3.42Å; K343-E347 PolarHBondContact O-N 3.15Å |
| 344 | Q | 65.8 | Low | 58.2 | Low | 123 Ų | 123 | 102.6 Ų | 102.6 | 58% | 0.575 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66 | -32.8 | 173.4 | -78.5 | 176.5 | -22.2 | 0 | 0 | 112.7 | L340 R341 G348 | L340-Q344 VanDerWaalsContact O-CB 3.29Å; L340-Q344 WeakPolarHBondContact O-CB 3.41Å; L340-Q344 VanDerWaalsContact O-CG 3.28Å; L340-Q344 WeakPolarHBondContact O-CG 3.37Å; L340-Q344 PolarHBondContact O-N 3.19Å; R341-Q344 PolarHBondContact O-N 3.35Å; Q344-G348 PolarHBondContact O-N 3.29Å |
| 345 | A | 69.1 | Low | 57.9 | Low | 67 Ų | 67 | 103.4 Ų | 103.4 | 55% | 0.554 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.7 | -40.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | R341 E342 K343 A349 | R341-A345 VanDerWaalsContact O-CB 3.31Å; R341-A345 WeakPolarHBondContact O-CB 3.49Å; R341-A345 PolarHBondContact O-N 3.27Å; E342-A345 PolarHBondContact O-N 3.02Å; K343-A345 VanDerWaalsContact C-N 3.33Å; K343-A345 PolarHBondContact O-N 2.89Å; A345-A349 WeakPolarHBondContact O-CB 3.28Å; A345-A349 PolarHBondContact O-N 3.05Å |
| 346 | L | 61.3 | Low | 57.5 | Low | 131 Ų | 131 | 104 Ų | 104 | 69% | 0.686 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.7 | -41.4 | 173.4 | -95.7 | 106.6 | 0 | 0 | 0 | 112.6 | E342 K343 A349 A350 | E342-L346 WeakPolarHBondContact O-CD1 3.49Å; E342-L346 PolarHBondContact O-N 3.08Å; K343-L346 PolarHBondContact O-N 2.69Å; L346-A349 PolarHBondContact O-N 2.87Å; L346-A350 PolarHBondContact O-N 3.48Å |
| 347 | E | 58.9 | Low | 57.1 | Low | 113 Ų | 113 | 108.1 Ų | 108.1 | 53% | 0.528 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.1 | -36.9 | 177.2 | -73.7 | 173.3 | -175.9 | 0 | 0 | 111.7 | K343 A350 A351 | K343-E347 WeakPolarHBondContact CE-OE1 3.31Å; K343-E347 WeakPolarHBondContact O-CB 3.37Å; K343-E347 WeakPolarHBondContact O-CG 3.42Å; K343-E347 PolarHBondContact O-N 3.15Å; E347-A350 PolarHBondContact O-N 3.34Å; E347-A351 WeakPolarHBondContact O-CB 3.38Å; E347-A351 PolarHBondContact O-N 3.23Å |
| 348 | G | 58.5 | Low | 56.4 | Low | 44 Ų | 44 | 103.4 Ų | 103.4 | 45% | 0.454 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.5 | -36.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q344 G352 | Q344-G348 PolarHBondContact O-N 3.29Å; G348-G352 PolarHBondContact O-N 3.04Å |
| 349 | A | 57.3 | Low | 55.3 | Low | 67 Ų | 67 | 104.3 Ų | 104.3 | 55% | 0.554 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.5 | -39 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A345 L346 A353 | A345-A349 WeakPolarHBondContact O-CB 3.28Å; A345-A349 PolarHBondContact O-N 3.05Å; L346-A349 PolarHBondContact O-N 2.87Å; A349-A353 WeakPolarHBondContact O-CB 3.39Å; A349-A353 PolarHBondContact O-N 3.45Å; A349-A353 VanDerWaalsContact O-N 3.11Å |
| 350 | A | 51.3 | Low | 54.6 | Low | 58 Ų | 58 | 102.6 Ų | 102.6 | 48% | 0.479 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69.2 | -40.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L346 E347 A353 M354 | L346-A350 PolarHBondContact O-N 3.48Å; E347-A350 PolarHBondContact O-N 3.34Å; A350-A353 PolarHBondContact O-N 3.23Å; A350-M354 PolarHBondContact O-N 3.19Å |
| 351 | A | 51.9 | Low | 53.8 | Low | 53 Ų | 53 | 104.1 Ų | 104.1 | 44% | 0.438 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.6 | -39.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E347 A353 M354 V355 | E347-A351 WeakPolarHBondContact O-CB 3.38Å; E347-A351 PolarHBondContact O-N 3.23Å; A351-A353 VanDerWaalsContact C-N 3.31Å; A351-A353 PolarHBondContact O-N 2.73Å; A351-M354 PolarHBondContact O-N 3.28Å; A351-V355 VanDerWaalsContact O-CG2 3.32Å; A351-V355 WeakPolarHBondContact O-CG2 3.43Å; A351-V355 PolarHBondContact O-N 3.33Å |
| 352 | G | 51.3 | Low | 52.5 | Low | 43 Ų | 43 | 101.7 Ų | 101.7 | 44% | 0.443 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -62.5 | -35.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G348 A356 | G348-G352 PolarHBondContact O-N 3.04Å; G352-A356 WeakPolarHBondContact O-CB 3.4Å; G352-A356 PolarHBondContact O-N 2.98Å |
| 353 | A | 50.3 | Low | 51 | Low | 65 Ų | 65 | 101.6 Ų | 101.6 | 54% | 0.537 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -70.3 | -34.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A349 A350 A351 | A349-A353 WeakPolarHBondContact O-CB 3.39Å; A349-A353 PolarHBondContact O-N 3.45Å; A349-A353 VanDerWaalsContact O-N 3.11Å; A350-A353 PolarHBondContact O-N 3.23Å; A351-A353 VanDerWaalsContact C-N 3.31Å; A351-A353 PolarHBondContact O-N 2.73Å |
| 354 | M | 44.6 | Very low | 50 | Low | 154 Ų | 154 | 106.8 Ų | 106.8 | 76% | 0.759 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -76.4 | -35.4 | 176 | -70.9 | -173.4 | 97.9 | 0 | 0 | 113 | A350 A351 M357 | A350-M354 PolarHBondContact O-N 3.19Å; A351-M354 PolarHBondContact O-N 3.28Å; M354-M357 PolarHBondContact O-N 3.17Å |
| 355 | V | 47.3 | Very low | 48.6 | Very low | 98 Ų | 98 | 111.7 Ų | 111.7 | 59% | 0.594 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -72.1 | -29.7 | 177.6 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | A351 M357 A358 | A351-V355 VanDerWaalsContact O-CG2 3.32Å; A351-V355 WeakPolarHBondContact O-CG2 3.43Å; A351-V355 PolarHBondContact O-N 3.33Å; V355-M357 PolarHBondContact O-N 3.49Å; V355-A358 PolarHBondContact O-N 3.32Å |
| 356 | A | 45.4 | Very low | 47.4 | Very low | 87 Ų | 87 | 117.1 Ų | 117.1 | 72% | 0.719 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -15.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G352 | G352-A356 WeakPolarHBondContact O-CB 3.4Å; G352-A356 PolarHBondContact O-N 2.98Å |
| 357 | M | 46.6 | Very low | 46.3 | Very low | 177 Ų | 177 | 115.7 Ų | 115.7 | 87% | 0.872 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -4.2 | 178.2 | -88.1 | -95.4 | 167.3 | 0 | 0 | 113.9 | M354 V355 | M354-M357 PolarHBondContact O-N 3.17Å; V355-M357 PolarHBondContact O-N 3.49Å |
| 358 | A | 42.9 | Very low | 45.2 | Very low | 72 Ų | 72 | 121.1 Ų | 121.1 | 60% | 0.595 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -142.3 | 65.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V355 | V355-A358 PolarHBondContact O-N 3.32Š|
| 359 | Q | 36.9 | Very low | 44.2 | Very low | 176 Ų | 176 | 125.7 Ų | 125.7 | 82% | 0.822 | 70% | 0.7 | S | S | * | * | trans | -159.1 | 128.8 | 152.8 | -111.5 | 174.2 | 25.2 | 0 | 0 | 111.6 | ||||
| 360 | P | 46.2 | Very low | 43.4 | Very low | 109 Ų | 109 | 125.7 Ų | 125.7 | 71% | 0.708 | 70% | 0.7 | S | S | * | * | trans | -91.2 | 145.8 | 173.1 | 36.7 | -30.8 | 0 | 0 | 0 | 110.7 | ||||
| 361 | T | 45.5 | Very low | 43 | Very low | 132 Ų | 132 | 127.8 Ų | 127.8 | 81% | 0.81 | 71% | 0.706 | S | S | * | * | trans | 95.6 | 144.2 | 154.5 | 71.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 362 | V | 39.7 | Very low | 42.4 | Very low | 138 Ų | 138 | 133 Ų | 133 | 84% | 0.836 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 82.5 | 43 | 156.6 | -141.8 | 0 | 0 | 0 | 0 | 120.4 | ||
| 363 | A | 36 | Very low | 41.9 | Very low | 91 Ų | 91 | 133.6 Ų | 133.6 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | trans | -134.3 | 24.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 364 | R | 42.7 | Very low | 41.3 | Very low | 244 Ų | 244 | 136.2 Ų | 136.2 | 92% | 0.921 | 73% | 0.734 | S | S | * | * | trans | -105.6 | 20.2 | -176.3 | -112.2 | -179.2 | -173.8 | 178.9 | 2.6 | 115.6 | ||||
| 365 | R | 37.7 | Very low | 41.3 | Very low | 227 Ų | 227 | 134.1 Ų | 134.1 | 86% | 0.857 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -110.7 | -10.6 | 176.8 | -92 | -177.1 | 176.4 | 177.4 | -1 | 116.4 | ||
| 366 | F | 42.1 | Very low | 41.1 | Very low | 180 Ų | 180 | 135 Ų | 135 | 79% | 0.789 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -110.5 | -8.4 | -179.2 | -77.4 | -78.5 | 0 | 0 | 0 | 115.8 | ||
| 367 | V | 39.2 | Very low | 41 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 61% | 0.612 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -14.1 | 178.1 | -177.2 | 0 | 0 | 0 | 0 | 112.9 | L369 | V367-L369 VanDerWaalsContact C-N 3.34Å; V367-L369 PolarHBondContact O-N 3.23Å |
| 368 | R | 35.3 | Very low | 40.8 | Very low | 227 Ų | 227 | 132 Ų | 132 | 86% | 0.857 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -6.3 | 176.7 | -96.9 | -175.7 | 176.7 | 173.4 | -1.2 | 115.2 | ||
| 369 | L | 37 | Very low | 40.8 | Very low | 141 Ų | 141 | 131 Ų | 131 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -20.1 | 174.4 | -86.4 | 160.5 | 0 | 0 | 0 | 113.7 | V367 | V367-L369 VanDerWaalsContact C-N 3.34Å; V367-L369 PolarHBondContact O-N 3.23Å |
| 370 | A | 41.4 | Very low | 41.3 | Very low | 67 Ų | 67 | 125.7 Ų | 125.7 | 55% | 0.554 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -16.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 371 | V | 42.3 | Very low | 41.3 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 62% | 0.618 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -90.1 | -6.2 | -177.7 | -179.1 | 0 | 0 | 0 | 0 | 113 | ||
| 372 | M | 39.6 | Very low | 41.3 | Very low | 161 Ų | 161 | 119.7 Ų | 119.7 | 79% | 0.793 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -94.4 | -6.1 | 170.3 | -91.7 | -178.3 | 133.3 | 0 | 0 | 114.4 | ||
| 373 | G | 41.8 | Very low | 41.6 | Very low | 56 Ų | 56 | 119.5 Ų | 119.5 | 58% | 0.577 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -92.7 | -14.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 374 | L | 37.4 | Very low | 42.3 | Very low | 120 Ų | 120 | 119.5 Ų | 119.5 | 63% | 0.628 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -103.5 | -4 | -171 | -104.7 | 150.6 | 0 | 0 | 0 | 114.8 | ||
| 375 | T | 43.4 | Very low | 42.5 | Very low | 111 Ų | 111 | 113.9 Ų | 113.9 | 68% | 0.681 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -10.1 | 175.1 | 41.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 376 | V | 44.1 | Very low | 43 | Very low | 115 Ų | 115 | 107.6 Ų | 107.6 | 70% | 0.697 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -27.2 | 177.3 | -178.8 | 0 | 0 | 0 | 0 | 112.3 | ||
| 377 | A | 43.2 | Very low | 43.2 | Very low | 71 Ų | 71 | 104.8 Ų | 104.8 | 59% | 0.587 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -81.3 | -27.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 378 | L | 43.1 | Very low | 43.7 | Very low | 130 Ų | 130 | 104.4 Ų | 104.4 | 68% | 0.681 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -82.4 | -20 | 178.2 | -82.6 | 157.9 | 0 | 0 | 0 | 113.5 | ||
| 379 | G | 42.6 | Very low | 44.2 | Very low | 52 Ų | 52 | 96.9 Ų | 96.9 | 54% | 0.536 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -78.3 | -27.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 380 | A | 47.2 | Very low | 44.5 | Very low | 65 Ų | 65 | 96.4 Ų | 96.4 | 54% | 0.537 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -80.1 | -32.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 381 | A | 46.1 | Very low | 44.8 | Very low | 55 Ų | 55 | 101.2 Ų | 101.2 | 46% | 0.455 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -77.7 | -25.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T384 | A381-T384 PolarHBondContact O-OG1 2.73Å |
| 382 | A | 44.8 | Very low | 44.8 | Very low | 60 Ų | 60 | 107.5 Ų | 107.5 | 50% | 0.496 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -74.3 | -31.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V386 | A382-V386 WeakPolarHBondContact O-CG2 3.29Å; A382-V386 PolarHBondContact O-N 3.14Å |
| 383 | L | 46.9 | Very low | 44.6 | Very low | 134 Ų | 134 | 105.2 Ų | 105.2 | 70% | 0.702 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -75.6 | -29.4 | 180 | -147.9 | 88.4 | 0 | 0 | 0 | 112.6 | ||
| 384 | T | 51.4 | Low | 44.4 | Very low | 90 Ų | 90 | 107.8 Ų | 107.8 | 55% | 0.552 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -75.1 | -33.1 | 177.6 | 47.2 | 0 | 0 | 0 | 0 | 112.9 | A381 T388 | A381-T384 PolarHBondContact O-OG1 2.73Å; T384-T388 PolarHBondContact O-N 2.79Å; T384-T388 PolarHBondContact O-OG1 2.62Å |
| 385 | L | 45.9 | Very low | 44.7 | Very low | 126 Ų | 126 | 111.4 Ų | 111.4 | 66% | 0.66 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -76.1 | -30.1 | 178.7 | -77.5 | 167.4 | 0 | 0 | 0 | 113.1 | T388 A389 | L385-T388 PolarHBondContact O-OG1 2.86Å; L385-A389 PolarHBondContact O-N 3.5Å |
| 386 | V | 47.8 | Very low | 44.3 | Very low | 96 Ų | 96 | 114 Ų | 114 | 58% | 0.582 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -73.2 | -31.8 | 176.6 | 173.9 | 0 | 0 | 0 | 0 | 112 | A382 | A382-V386 WeakPolarHBondContact O-CG2 3.29Å; A382-V386 PolarHBondContact O-N 3.14Å |
| 387 | N | 47.1 | Very low | 43.9 | Very low | 120 Ų | 120 | 115.6 Ų | 115.6 | 64% | 0.642 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -77.3 | -26.7 | 177.6 | -105.4 | 2.4 | 0 | 0 | 0 | 113.9 | ||
| 388 | T | 50.3 | Low | 43.6 | Very low | 94 Ų | 94 | 119.7 Ų | 119.7 | 58% | 0.577 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -81.5 | -19.3 | 176.6 | 44 | 0 | 0 | 0 | 0 | 113.8 | T384 L385 | T384-T388 PolarHBondContact O-N 2.79Å; T384-T388 PolarHBondContact O-OG1 2.62Å; L385-T388 PolarHBondContact O-OG1 2.86Å |
| 389 | A | 44.5 | Very low | 43.1 | Very low | 69 Ų | 69 | 122.3 Ų | 122.3 | 57% | 0.57 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -12.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | L385 | L385-A389 PolarHBondContact O-N 3.5Š|
| 390 | L | 42.7 | Very low | 42.8 | Very low | 130 Ų | 130 | 126.8 Ų | 126.8 | 68% | 0.681 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -6.8 | -178.6 | -89.2 | 158.9 | 0 | 0 | 0 | 114.6 | ||
| 391 | E | 48.2 | Very low | 42.1 | Very low | 169 Ų | 169 | 132.8 Ų | 132.8 | 79% | 0.79 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -98.5 | -6.2 | -179.1 | -73.3 | -171.5 | 160.4 | 0 | 0 | 114.8 | ||
| 392 | W | 42.1 | Very low | 42.2 | Very low | 233 Ų | 233 | 139.2 Ų | 139.2 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | trans | -125.9 | 42.9 | -172.5 | -86 | 66.6 | 0 | 0 | 0 | 114.2 | P394 | W392-P394 WeakPolarHBondContact O-CD 3.42Š| ||
| 393 | V | 37.1 | Very low | 42.1 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | trans | -93.5 | 112.7 | 166 | 176.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 394 | P | 36.8 | Very low | 41.8 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | trans | -75.3 | 123.6 | 163.1 | -5 | 22.6 | 0 | 0 | 0 | 108.9 | W392 L396 | W392-P394 WeakPolarHBondContact O-CD 3.42Å; P394-L396 PolarHBondContact O-N 3.33Å | ||
| 395 | K | 43.8 | Very low | 41.3 | Very low | 195 Ų | 195 | 146.7 Ų | 146.7 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | trans | -59.8 | 122.4 | 167.5 | -75.2 | 175 | 174.9 | 175.9 | 0 | 109.2 | ||||
| 396 | L | 35.3 | Very low | 41 | Very low | 166 Ų | 166 | 147.9 Ų | 147.9 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | -124 | 108.2 | 164.9 | -91.5 | 164.7 | 0 | 0 | 0 | 107.9 | P394 | P394-L396 PolarHBondContact O-N 3.33Š| ||
| 397 | D | 35.1 | Very low | 40.6 | Very low | 148 Ų | 148 | 151.1 Ų | 151.1 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -64.6 | 133.5 | 178.8 | -77.3 | -47 | 0 | 0 | 0 | 111.3 | ||||
| 398 | L | 36.8 | Very low | 40.2 | Very low | 158 Ų | 158 | 153.2 Ų | 153.2 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -70.4 | 122.4 | 163.7 | -88.1 | 136.7 | 0 | 0 | 0 | 109.4 | ||||
| 399 | H | 33.3 | Very low | 39.4 | Very low | 185 Ų | 185 | 157.4 Ų | 157.4 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | -133.6 | 124.7 | 151.6 | -96.6 | -69.1 | 0 | 0 | 0 | 111.3 | ||||
| 400 | L | 35.1 | Very low | 39 | Very low | 146 Ų | 146 | 164.2 Ų | 164.2 | 76% | 0.764 | 83% | 0.83 | S | S | * | * | trans | -69.2 | 146 | 176.5 | -70.9 | 127.3 | 0 | 0 | 0 | 112.1 | ||||
| 401 | F | 32.9 | Very low | 38.7 | Very low | 190 Ų | 190 | 167.1 Ų | 167.1 | 83% | 0.833 | 84% | 0.842 | S | S | * | * | trans | 11.7 | 146.2 | 144.6 | -74 | -75.1 | 0 | 0 | 0 | 120.3 | ||||
| 402 | P | 48.4 | Very low | 37.9 | Very low | 191 Ų | 191 | 166.9 Ų | 166.9 | 100% | 1.24 | 85% | 0.847 | S | S | * | * | -117.6 | 0 | 70.4 | 7.7 | 13 | 0 | 0 | 0 | 115.7 |
Retrieved 402 of 402 residues in 83.1 ms
(Link to these results)