| 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 | 37.8 | Very low | 41.4 | Very low | 251 Ų | 251 | 140.3 Ų | 140.3 | 100% | 1.236 | 86% | 0.858 | S | S | * | * | 0 | 113.2 | 0 | -64.9 | -71.4 | -165.7 | 0 | 0 | 106.8 | |||||
| 2 | G | 37.5 | Very low | 42.4 | Very low | 77 Ų | 77 | 147.2 Ų | 147.2 | 79% | 0.794 | 86% | 0.859 | S | S | * | * | cis | -155.4 | 148.7 | -2.8 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 3 | G | 40.3 | Very low | 43.9 | Very low | 86 Ų | 86 | 146.6 Ų | 146.6 | 89% | 0.887 | 85% | 0.849 | S | S | * | * | trans | -72.9 | 155 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 4 | G | 37.5 | Very low | 45.2 | Very low | 67 Ų | 67 | 143.1 Ų | 143.1 | 69% | 0.691 | 83% | 0.826 | S | S | * | * | trans | -149 | 85.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 5 | H | 37.2 | Very low | 46.2 | Very low | 195 Ų | 195 | 140.5 Ų | 140.5 | 90% | 0.903 | 81% | 0.807 | S | S | * | * | trans | -75.5 | 117.4 | 167.3 | -72.3 | -72 | 0 | 0 | 0 | 109.1 | R7 | H5-R7 PolarHBondContact O-N 3.36Š| ||
| 6 | H | 38.4 | Very low | 47.1 | Very low | 196 Ų | 196 | 136.8 Ų | 136.8 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | -81.7 | 103.9 | 165.7 | -70.9 | -69.1 | 0 | 0 | 0 | 109.1 | ||||
| 7 | R | 41 | Very low | 47.9 | Very low | 241 Ų | 241 | 139.6 Ų | 139.6 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | -98.7 | 121.5 | 167 | -148.6 | 178.9 | -160.4 | -168.3 | 4.5 | 107.4 | H5 A9 | H5-R7 PolarHBondContact O-N 3.36Å; R7-A9 PolarHBondContact O-N 3.29Å | ||
| 8 | A | 41.8 | Very low | 48.7 | Very low | 98 Ų | 98 | 137.7 Ų | 137.7 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -58.6 | 128.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.4 | A10 | A8-A10 PolarHBondContact O-N 3.42Š| ||
| 9 | A | 41.5 | Very low | 49.6 | Very low | 93 Ų | 93 | 138.6 Ų | 138.6 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -73.4 | 108.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108 | R7 | R7-A9 PolarHBondContact O-N 3.29Š| ||
| 10 | A | 44.8 | Very low | 50.8 | Low | 86 Ų | 86 | 137.1 Ų | 137.1 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | trans | -78.7 | 113.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | A8 Y12 | A8-A10 PolarHBondContact O-N 3.42Å; A10-Y12 PolarHBondContact O-N 3.46Å | ||
| 11 | D | 57.3 | Low | 52.3 | Low | 153 Ų | 153 | 133.1 Ų | 133.1 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | -63.2 | 99.8 | 169.1 | -69.6 | -30.9 | 0 | 0 | 0 | 108.4 | L13 | D11-L13 PolarHBondContact O-N 3.24Å; D11-L13 VanDerWaalsContact O-N 3.12Å | ||
| 12 | Y | 53.3 | Low | 54.2 | Low | 223 Ų | 223 | 127.3 Ų | 127.3 | 88% | 0.875 | 71% | 0.714 | S | S | * | * | trans | -68.5 | 105.5 | 170.8 | -119.5 | -97 | 0 | 0 | 0 | 107.6 | A10 D14 | A10-Y12 PolarHBondContact O-N 3.46Å; Y12-D14 PolarHBondContact O-N 2.96Å; Y12-D14 VanDerWaalsContact O-N 3.14Å | ||
| 13 | L | 62.6 | Low | 56.6 | Low | 140 Ų | 140 | 130.9 Ų | 130.9 | 73% | 0.733 | 71% | 0.71 | S | S | * | * | trans | -61.4 | 114.7 | 168.8 | -72.7 | 164.8 | 0 | 0 | 0 | 108.2 | D11 L15 | D11-L13 PolarHBondContact O-N 3.24Å; D11-L13 VanDerWaalsContact O-N 3.12Å; L13-L15 PolarHBondContact O-N 3.09Å | ||
| 14 | D | 61.5 | Low | 58.8 | Low | 97 Ų | 97 | 131.7 Ų | 131.7 | 52% | 0.519 | 69% | 0.691 | S | S | . | * | trans | -67.8 | 94.4 | 174.7 | -175.2 | 7.3 | 0 | 0 | 0 | 109.4 | Y12 S16 K17 | Y12-D14 PolarHBondContact O-N 2.96Å; Y12-D14 VanDerWaalsContact O-N 3.14Å; D14-S16 PolarHBondContact O-N 3.26Å; D14-S16 VanDerWaalsContact O-N 3.09Å; D14-S16 WeakPolarHBondContact OD1-CB 3.39Å; D14-S16 PolarHBondContact OD1-N 3.27Å; D14-S16 PolarHBondContact OD1-OG 3.42Å; D14-S16 PolarHBondContact OD2-OG 2.73Å; D14-K17 PolarHBondContact O-N 3.1Å | ||
| 15 | L | 60.3 | Low | 61.2 | Low | 105 Ų | 105 | 134.3 Ų | 134.3 | 55% | 0.55 | 68% | 0.681 | S | S | . | * | G | 310 helix | trans | -60.3 | -18.1 | -177.4 | -64.1 | 174.3 | 0 | 0 | 0 | 112.4 | L13 K17 I18 F19 | L13-L15 PolarHBondContact O-N 3.09Å; L15-K17 PolarHBondContact O-N 3.15Å; L15-I18 HydrophobicContact CD2-CD1 3.94Å; L15-I18 PolarHBondContact O-N 3.17Å; L15-F19 HydrophobicContact CB-CD2 4.49Å; L15-F19 HydrophobicContact CB-CE2 4.18Å; L15-F19 WeakPolarHBondContact O-CD2 3.32Å; L15-F19 PolarHBondContact O-N 2.95Å |
| 16 | S | 61.1 | Low | 63.7 | Low | 80 Ų | 80 | 132 Ų | 132 | 56% | 0.559 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -63.8 | -21.5 | 177 | 71.5 | 0 | 0 | 0 | 0 | 113.5 | D14 | D14-S16 PolarHBondContact O-N 3.26Å; D14-S16 VanDerWaalsContact O-N 3.09Å; D14-S16 WeakPolarHBondContact OD1-CB 3.39Å; D14-S16 PolarHBondContact OD1-N 3.27Å; D14-S16 PolarHBondContact OD1-OG 3.42Å; D14-S16 PolarHBondContact OD2-OG 2.73Å |
| 17 | K | 60.4 | Low | 66.2 | Low | 185 Ų | 185 | 125.4 Ų | 125.4 | 80% | 0.804 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -80.9 | -12.1 | 172.5 | -79.6 | 179.5 | 177.8 | 172.9 | 0 | 114.3 | D14 L15 | D14-K17 PolarHBondContact O-N 3.1Å; L15-K17 PolarHBondContact O-N 3.15Å |
| 18 | I | 62.9 | Low | 68.7 | Low | 105 Ų | 105 | 118.8 Ų | 118.8 | 54% | 0.538 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.2 | -26.2 | -176.3 | -56.4 | 176.7 | 0 | 0 | 0 | 110.8 | L15 | L15-I18 HydrophobicContact CD2-CD1 3.94Å; L15-I18 PolarHBondContact O-N 3.17Å |
| 19 | F | 65.9 | Low | 71.1 | Confident | 155 Ų | 155 | 118.2 Ų | 118.2 | 68% | 0.68 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -89.7 | 113.5 | 177.1 | -68.5 | -75.5 | 0 | 0 | 0 | 110.5 | L15 | L15-F19 HydrophobicContact CB-CD2 4.49Å; L15-F19 HydrophobicContact CB-CE2 4.18Å; L15-F19 WeakPolarHBondContact O-CD2 3.32Å; L15-F19 PolarHBondContact O-N 2.95Å |
| 20 | F | 72.8 | Confident | 73.6 | Confident | 108 Ų | 108 | 118.8 Ų | 118.8 | 47% | 0.474 | 59% | 0.589 | S | S | . | * | trans | -57.8 | 142.6 | 167.2 | -60.3 | -63.9 | 0 | 0 | 0 | 109.5 | E24 K28 | F20-E24 HydrophobicContact CB-CB 4.16Å; F20-K28 HydrophobicContact CE1-CD 4.4Å | ||
| 21 | S | 81.8 | Confident | 76 | Confident | 55 Ų | 55 | 120.6 Ų | 120.6 | 39% | 0.385 | 58% | 0.582 | S | S | . | * | trans | -60.2 | 150.9 | 164 | 73.7 | 0 | 0 | 0 | 0 | 108.7 | E23 E24 Y25 | S21-E23 PolarHBondContact O-N 3.46Å; S21-E23 VanDerWaalsContact O-N 3.13Å; S21-E24 PolarHBondContact O-N 3.44Å; S21-E24 WeakPolarHBondContact OG-CB 3.32Å; S21-E24 WeakPolarHBondContact OG-CG 3.49Å; S21-E24 PolarHBondContact OG-N 2.63Å; S21-E24 VanDerWaalsContact OG-N 3.15Å; S21-Y25 PolarHBondContact O-N 3.39Å | ||
| 22 | N | 79.3 | Confident | 77.8 | Confident | 128 Ų | 128 | 119 Ų | 119 | 68% | 0.684 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -55.6 | -33.8 | 178.6 | -77.6 | -17.8 | 0 | 0 | 0 | 111.4 | Y25 Y26 | N22-Y25 PolarHBondContact O-N 3.35Å; N22-Y26 HydrophobicContact CB-CE2 4.48Å; N22-Y26 WeakPolarHBondContact O-CD2 3.33Å; N22-Y26 PolarHBondContact O-N 2.91Å; N22-Y26 VanDerWaalsContact O-N 3.09Å |
| 23 | E | 87.3 | Confident | 79.8 | Confident | 153 Ų | 153 | 115.3 Ų | 115.3 | 72% | 0.715 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.7 | -44.4 | 175.6 | -172.4 | 174.1 | -174.8 | 0 | 0 | 112.8 | S21 Y25 Y26 S27 | S21-E23 PolarHBondContact O-N 3.46Å; S21-E23 VanDerWaalsContact O-N 3.13Å; E23-Y25 VanDerWaalsContact C-N 3.34Å; E23-Y26 PolarHBondContact O-N 3.5Å; E23-S27 WeakPolarHBondContact O-CB 3.5Å; E23-S27 PolarHBondContact O-N 2.84Å; E23-S27 PolarHBondContact O-OG 3.14Å |
| 24 | E | 87 | Confident | 81.4 | Confident | 103 Ų | 103 | 114.6 Ų | 114.6 | 48% | 0.481 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.6 | -37.5 | 175 | -76.6 | 176 | -172.9 | 0 | 0 | 112.2 | F20 S21 S27 K28 | F20-E24 HydrophobicContact CB-CB 4.16Å; S21-E24 PolarHBondContact O-N 3.44Å; S21-E24 WeakPolarHBondContact OG-CB 3.32Å; S21-E24 WeakPolarHBondContact OG-CG 3.49Å; S21-E24 PolarHBondContact OG-N 2.63Å; S21-E24 VanDerWaalsContact OG-N 3.15Å; E24-S27 PolarHBondContact O-N 2.87Å; E24-K28 WeakPolarHBondContact O-CB 3.36Å; E24-K28 WeakPolarHBondContact O-CG 3.39Å; E24-K28 PolarHBondContact O-N 3.45Å |
| 25 | Y | 87.4 | Confident | 83 | Confident | 122 Ų | 122 | 112.4 Ų | 112.4 | 48% | 0.478 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.9 | -50.4 | 175.9 | 172.9 | -95.3 | 0 | 0 | 0 | 111.2 | S21 N22 E23 K28 L29 | S21-Y25 PolarHBondContact O-N 3.39Å; N22-Y25 PolarHBondContact O-N 3.35Å; E23-Y25 VanDerWaalsContact C-N 3.34Å; Y25-K28 PolarHBondContact O-N 3.12Å; Y25-L29 WeakPolarHBondContact O-CB 3.23Å; Y25-L29 PolarHBondContact O-N 3.45Å |
| 26 | Y | 90.4 | Very high | 84.6 | Confident | 147 Ų | 147 | 112.5 Ų | 112.5 | 58% | 0.576 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69.6 | -34.3 | 179.3 | -70.4 | -61.8 | 0 | 0 | 0 | 112.5 | N22 E23 L29 E30 | N22-Y26 HydrophobicContact CB-CE2 4.48Å; N22-Y26 WeakPolarHBondContact O-CD2 3.33Å; N22-Y26 PolarHBondContact O-N 2.91Å; N22-Y26 VanDerWaalsContact O-N 3.09Å; E23-Y26 PolarHBondContact O-N 3.5Å; Y26-L29 HydrophobicContact CD1-CD2 4.39Å; Y26-L29 WeakPolarHBondContact O-CB 3.37Å; Y26-L29 PolarHBondContact O-N 3.22Å; Y26-E30 PolarHBondContact O-N 3.42Å |
| 27 | S | 90.8 | Very high | 86.2 | Confident | 56 Ų | 56 | 113.8 Ų | 113.8 | 39% | 0.392 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 174.4 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | E23 E24 L29 E30 E31 | E23-S27 WeakPolarHBondContact O-CB 3.5Å; E23-S27 PolarHBondContact O-N 2.84Å; E23-S27 PolarHBondContact O-OG 3.14Å; E24-S27 PolarHBondContact O-N 2.87Å; S27-L29 VanDerWaalsContact C-N 3.31Å; S27-L29 PolarHBondContact O-N 3.3Å; S27-E30 PolarHBondContact O-N 3.22Å; S27-E30 VanDerWaalsContact O-N 3.17Å; S27-E31 WeakPolarHBondContact O-CG 3.49Å; S27-E31 PolarHBondContact O-N 3.14Å |
| 28 | K | 92.1 | Very high | 87.8 | Confident | 103 Ų | 103 | 111.1 Ų | 111.1 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.4 | -35 | 174.9 | -76.3 | -173.8 | 178.3 | -174.5 | 0 | 112.8 | F20 E24 Y25 E30 E31 L32 | F20-K28 HydrophobicContact CE1-CD 4.4Å; E24-K28 WeakPolarHBondContact O-CB 3.36Å; E24-K28 WeakPolarHBondContact O-CG 3.39Å; E24-K28 PolarHBondContact O-N 3.45Å; Y25-K28 PolarHBondContact O-N 3.12Å; K28-E30 VanDerWaalsContact C-N 3.31Å; K28-E31 PolarHBondContact O-N 3.12Å; K28-L32 WeakPolarHBondContact O-CB 3.24Å; K28-L32 PolarHBondContact O-N 2.97Å |
| 29 | L | 93.6 | Very high | 89.4 | Confident | 85 Ų | 85 | 109.2 Ų | 109.2 | 45% | 0.445 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 174.7 | -165.9 | 76.4 | 0 | 0 | 0 | 111.2 | Y25 Y26 S27 L32 K33 | Y25-L29 WeakPolarHBondContact O-CB 3.23Å; Y25-L29 PolarHBondContact O-N 3.45Å; Y26-L29 HydrophobicContact CD1-CD2 4.39Å; Y26-L29 WeakPolarHBondContact O-CB 3.37Å; Y26-L29 PolarHBondContact O-N 3.22Å; S27-L29 VanDerWaalsContact C-N 3.31Å; S27-L29 PolarHBondContact O-N 3.3Å; L29-L32 PolarHBondContact O-N 2.92Å; L29-K33 WeakPolarHBondContact O-CB 3.36Å; L29-K33 PolarHBondContact O-N 2.71Å |
| 30 | E | 93.3 | Very high | 90.8 | Very high | 106 Ų | 106 | 105.7 Ų | 105.7 | 50% | 0.495 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.2 | -40 | 176.4 | -157.6 | -173 | 149.8 | 0 | 0 | 112.1 | Y26 S27 K28 L32 K33 K34 | Y26-E30 PolarHBondContact O-N 3.42Å; S27-E30 PolarHBondContact O-N 3.22Å; S27-E30 VanDerWaalsContact O-N 3.17Å; K28-E30 VanDerWaalsContact C-N 3.31Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-K33 WeakPolarHBondContact O-CB 3.31Å; E30-K33 PolarHBondContact O-N 2.94Å; E30-K34 WeakPolarHBondContact O-CG 3.4Å; E30-K34 PolarHBondContact O-N 2.89Å; E30-K34 VanDerWaalsContact OE1-CE 3.23Å; E30-K34 WeakPolarHBondContact OE1-CE 3.28Å; E30-K34 IonicContact OE1-NZ 3.45Å; E30-K34 PolarHBondContact OE1-NZ 3.08Å |
| 31 | E | 94.8 | Very high | 91.8 | Very high | 124 Ų | 124 | 103.3 Ų | 103.3 | 58% | 0.579 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59 | -44.7 | 170.9 | -74.4 | 177.6 | -179.2 | 0 | 0 | 111.6 | S27 K28 K33 K34 A35 | S27-E31 WeakPolarHBondContact O-CG 3.49Å; S27-E31 PolarHBondContact O-N 3.14Å; K28-E31 PolarHBondContact O-N 3.12Å; E31-K33 VanDerWaalsContact C-N 3.31Å; E31-K33 PolarHBondContact O-N 3.27Å; E31-K34 PolarHBondContact O-N 3.23Å; E31-A35 WeakPolarHBondContact O-CB 3.47Å; E31-A35 PolarHBondContact O-N 3.44Å |
| 32 | L | 96.2 | Very high | 92.4 | Very high | 119 Ų | 119 | 106 Ų | 106 | 62% | 0.623 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.7 | -40.2 | 177 | -172.4 | 69.3 | 0 | 0 | 0 | 111.5 | K28 L29 E30 A35 H36 | K28-L32 WeakPolarHBondContact O-CB 3.24Å; K28-L32 PolarHBondContact O-N 2.97Å; L29-L32 PolarHBondContact O-N 2.92Å; E30-L32 VanDerWaalsContact C-N 3.34Å; L32-A35 PolarHBondContact O-N 2.81Å; L32-H36 WeakPolarHBondContact O-CB 3.07Å; L32-H36 PolarHBondContact O-N 3.43Å |
| 33 | K | 94.7 | Very high | 93.1 | Very high | 146 Ų | 146 | 104 Ų | 104 | 64% | 0.635 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.5 | -42.2 | 175.3 | -172.2 | -179.8 | 177.4 | -177.1 | 0 | 111.4 | L29 E30 E31 H36 L37 | L29-K33 WeakPolarHBondContact O-CB 3.36Å; L29-K33 PolarHBondContact O-N 2.71Å; E30-K33 WeakPolarHBondContact O-CB 3.31Å; E30-K33 PolarHBondContact O-N 2.94Å; E31-K33 VanDerWaalsContact C-N 3.31Å; E31-K33 PolarHBondContact O-N 3.27Å; K33-H36 PolarHBondContact O-N 3.22Å; K33-L37 WeakPolarHBondContact O-CG 3.47Å; K33-L37 PolarHBondContact O-N 3.2Å |
| 34 | K | 96 | Very high | 93.3 | Very high | 124 Ų | 124 | 102.3 Ų | 102.3 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 175.8 | -72.7 | 169.3 | -175.6 | 161 | 0 | 111.5 | E30 E31 H36 L37 H38 | E30-K34 WeakPolarHBondContact O-CG 3.4Å; E30-K34 PolarHBondContact O-N 2.89Å; E30-K34 VanDerWaalsContact OE1-CE 3.23Å; E30-K34 WeakPolarHBondContact OE1-CE 3.28Å; E30-K34 IonicContact OE1-NZ 3.45Å; E30-K34 PolarHBondContact OE1-NZ 3.08Å; E31-K34 PolarHBondContact O-N 3.23Å; K34-H36 PolarHBondContact O-N 3.08Å; K34-L37 PolarHBondContact O-N 3.21Å; K34-H38 PolarHBondContact O-N 3.35Å |
| 35 | A | 95.2 | Very high | 93.6 | Very high | 51 Ų | 51 | 100.7 Ų | 100.7 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E31 L32 L37 H38 T39 | E31-A35 WeakPolarHBondContact O-CB 3.47Å; E31-A35 PolarHBondContact O-N 3.44Å; L32-A35 PolarHBondContact O-N 2.81Å; A35-L37 PolarHBondContact O-N 3.34Å; A35-H38 WeakPolarHBondContact O-CB 3.4Å; A35-H38 PolarHBondContact O-N 3.15Å; A35-T39 PolarHBondContact O-N 3.26Å; A35-T39 PolarHBondContact O-OG1 3.41Å |
| 36 | H | 93.5 | Very high | 93.7 | Very high | 108 Ų | 108 | 100.1 Ų | 100.1 | 50% | 0.5 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 176.4 | 179.8 | 61.2 | 0 | 0 | 0 | 112 | L32 K33 K34 H38 T39 M40 | L32-H36 WeakPolarHBondContact O-CB 3.07Å; L32-H36 PolarHBondContact O-N 3.43Å; K33-H36 PolarHBondContact O-N 3.22Å; K34-H36 PolarHBondContact O-N 3.08Å; H36-H38 VanDerWaalsContact C-N 3.35Å; H36-H38 PolarHBondContact O-N 3.23Å; H36-T39 PolarHBondContact O-N 3Å; H36-M40 WeakPolarHBondContact O-CG 3.47Å; H36-M40 PolarHBondContact O-N 2.94Å |
| 37 | L | 95.4 | Very high | 93.7 | Very high | 106 Ų | 106 | 100.1 Ų | 100.1 | 56% | 0.555 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.9 | -42 | 175.9 | -72.2 | 173.5 | 0 | 0 | 0 | 112.3 | K33 K34 A35 T39 M40 A41 | K33-L37 WeakPolarHBondContact O-CG 3.47Å; K33-L37 PolarHBondContact O-N 3.2Å; K34-L37 PolarHBondContact O-N 3.21Å; A35-L37 PolarHBondContact O-N 3.34Å; L37-T39 VanDerWaalsContact C-N 3.34Å; L37-T39 PolarHBondContact O-N 3.44Å; L37-M40 PolarHBondContact O-N 3.49Å; L37-A41 WeakPolarHBondContact O-CB 3.3Å; L37-A41 PolarHBondContact O-N 2.98Å |
| 38 | H | 94.3 | Very high | 93.4 | Very high | 129 Ų | 129 | 102.1 Ų | 102.1 | 60% | 0.597 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.5 | -46.2 | 173.8 | -176.2 | -71.5 | 0 | 0 | 0 | 111.3 | K34 A35 H36 M40 A41 E42 | K34-H38 PolarHBondContact O-N 3.35Å; A35-H38 WeakPolarHBondContact O-CB 3.4Å; A35-H38 PolarHBondContact O-N 3.15Å; H36-H38 VanDerWaalsContact C-N 3.35Å; H36-H38 PolarHBondContact O-N 3.23Å; H38-M40 VanDerWaalsContact C-N 3.32Å; H38-M40 PolarHBondContact O-N 3.18Å; H38-A41 PolarHBondContact O-N 3.38Å; H38-E42 IonicContact CE1-OE2 3.64Å; H38-E42 IonicContact ND1-OE2 3.67Å; H38-E42 WeakPolarHBondContact O-CB 3.39Å; H38-E42 PolarHBondContact O-N 3.09Å |
| 39 | T | 96.3 | Very high | 93.1 | Very high | 66 Ų | 66 | 102.5 Ų | 102.5 | 41% | 0.405 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 179.8 | -37.6 | 0 | 0 | 0 | 0 | 111.4 | A35 H36 L37 E42 L43 | A35-T39 PolarHBondContact O-N 3.26Å; A35-T39 PolarHBondContact O-OG1 3.41Å; H36-T39 PolarHBondContact O-N 3Å; L37-T39 VanDerWaalsContact C-N 3.34Å; L37-T39 PolarHBondContact O-N 3.44Å; T39-E42 PolarHBondContact O-N 2.93Å; T39-L43 WeakPolarHBondContact O-CG 3.17Å; T39-L43 PolarHBondContact O-N 2.9Å |
| 40 | M | 93.9 | Very high | 92.6 | Very high | 81 Ų | 81 | 105.3 Ų | 105.3 | 40% | 0.399 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 175.5 | -69.3 | -57.8 | 98.3 | 0 | 0 | 112.1 | H36 L37 H38 L43 E44 | H36-M40 WeakPolarHBondContact O-CG 3.47Å; H36-M40 PolarHBondContact O-N 2.94Å; L37-M40 PolarHBondContact O-N 3.49Å; H38-M40 VanDerWaalsContact C-N 3.32Å; H38-M40 PolarHBondContact O-N 3.18Å; M40-L43 HydrophobicContact CE-CD1 3.64Å; M40-L43 PolarHBondContact O-N 3.02Å; M40-E44 WeakPolarHBondContact O-CB 3.47Å; M40-E44 PolarHBondContact O-N 3.46Å |
| 41 | A | 94.6 | Very high | 91.8 | Very high | 57 Ų | 57 | 103.9 Ų | 103.9 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L37 H38 E44 S45 | L37-A41 WeakPolarHBondContact O-CB 3.3Å; L37-A41 PolarHBondContact O-N 2.98Å; H38-A41 PolarHBondContact O-N 3.38Å; A41-E44 PolarHBondContact O-N 2.92Å; A41-S45 WeakPolarHBondContact O-CB 3.46Å; A41-S45 PolarHBondContact O-N 3.38Å |
| 42 | E | 95.1 | Very high | 90.6 | Very high | 111 Ų | 111 | 104.2 Ų | 104.2 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 176.7 | -168.4 | 169.4 | -171.9 | 0 | 0 | 111.9 | H38 T39 S45 M46 | H38-E42 IonicContact CE1-OE2 3.64Å; H38-E42 IonicContact ND1-OE2 3.67Å; H38-E42 WeakPolarHBondContact O-CB 3.39Å; H38-E42 PolarHBondContact O-N 3.09Å; T39-E42 PolarHBondContact O-N 2.93Å; E42-S45 PolarHBondContact O-N 3.37Å; E42-M46 WeakPolarHBondContact O-CG 3.38Å; E42-M46 PolarHBondContact O-N 3.4Å |
| 43 | L | 92.8 | Very high | 89.3 | Confident | 88 Ų | 88 | 104.3 Ų | 104.3 | 46% | 0.461 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 172.4 | -73.2 | 177.6 | 0 | 0 | 0 | 112.4 | T39 M40 M46 Y47 | T39-L43 WeakPolarHBondContact O-CG 3.17Å; T39-L43 PolarHBondContact O-N 2.9Å; M40-L43 HydrophobicContact CE-CD1 3.64Å; M40-L43 PolarHBondContact O-N 3.02Å; L43-M46 HydrophobicContact CD2-CE 4.24Å; L43-M46 PolarHBondContact O-N 3.42Å; L43-Y47 VanDerWaalsContact O-CB 3.3Å; L43-Y47 WeakPolarHBondContact O-CB 3.33Å; L43-Y47 PolarHBondContact O-N 3.29Å |
| 44 | E | 92.6 | Very high | 87.5 | Confident | 116 Ų | 116 | 106.8 Ų | 106.8 | 54% | 0.542 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 175.2 | -170.3 | 178.3 | 175.9 | 0 | 0 | 111.1 | M40 A41 Y47 Q48 | M40-E44 WeakPolarHBondContact O-CB 3.47Å; M40-E44 PolarHBondContact O-N 3.46Å; A41-E44 PolarHBondContact O-N 2.92Å; E44-Y47 PolarHBondContact O-N 2.87Å; E44-Q48 WeakPolarHBondContact O-CB 3.48Å; E44-Q48 VanDerWaalsContact O-CG 3.3Å; E44-Q48 WeakPolarHBondContact O-CG 3.18Å; E44-Q48 PolarHBondContact O-N 3.43Å; E44-Q48 PolarHBondContact OE1-NE2 3.4Å |
| 45 | S | 93.1 | Very high | 85.5 | Confident | 70 Ų | 70 | 105.3 Ų | 105.3 | 49% | 0.49 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.3 | -48.6 | 174 | -178.3 | 0 | 0 | 0 | 0 | 111.8 | A41 E42 Y47 Q48 Q49 | A41-S45 WeakPolarHBondContact O-CB 3.46Å; A41-S45 PolarHBondContact O-N 3.38Å; E42-S45 PolarHBondContact O-N 3.37Å; S45-Y47 VanDerWaalsContact C-N 3.31Å; S45-Y47 PolarHBondContact O-N 3.24Å; S45-Q48 PolarHBondContact O-N 2.9Å; S45-Q49 WeakPolarHBondContact O-CB 3.35Å; S45-Q49 PolarHBondContact O-N 2.89Å |
| 46 | M | 89.4 | Confident | 83.4 | Confident | 110 Ų | 110 | 110.2 Ų | 110.2 | 54% | 0.542 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.7 | -37 | 176.2 | -74.5 | -140.3 | -66.4 | 0 | 0 | 112.6 | E42 L43 Q49 K50 | E42-M46 WeakPolarHBondContact O-CG 3.38Å; E42-M46 PolarHBondContact O-N 3.4Å; L43-M46 HydrophobicContact CD2-CE 4.24Å; L43-M46 PolarHBondContact O-N 3.42Å; M46-Q49 PolarHBondContact O-N 2.78Å; M46-K50 VanDerWaalsContact O-CB 3.29Å; M46-K50 WeakPolarHBondContact O-CB 3.46Å; M46-K50 PolarHBondContact O-N 2.85Å |
| 47 | Y | 90.1 | Very high | 80.9 | Confident | 146 Ų | 146 | 111.7 Ų | 111.7 | 57% | 0.573 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.2 | -42.3 | 177.1 | -176.2 | -105.1 | 0 | 0 | 0 | 111.7 | L43 E44 S45 K50 L51 | L43-Y47 VanDerWaalsContact O-CB 3.3Å; L43-Y47 WeakPolarHBondContact O-CB 3.33Å; L43-Y47 PolarHBondContact O-N 3.29Å; E44-Y47 PolarHBondContact O-N 2.87Å; S45-Y47 VanDerWaalsContact C-N 3.31Å; S45-Y47 PolarHBondContact O-N 3.24Å; Y47-K50 PolarHBondContact O-N 2.92Å; Y47-L51 HydrophobicContact CD1-CD1 3.83Å; Y47-L51 HydrophobicContact CD1-CG 4.41Å; Y47-L51 HydrophobicContact CE1-CD1 3.42Å; Y47-L51 VanDerWaalsContact CE1-CD1 3.42Å; Y47-L51 HydrophobicContact CE1-CG 4.08Å; Y47-L51 WeakPolarHBondContact O-CG 3.47Å; Y47-L51 PolarHBondContact O-N 3.38Å |
| 48 | Q | 84.7 | Confident | 78.8 | Confident | 98 Ų | 98 | 112.4 Ų | 112.4 | 46% | 0.458 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.2 | -43.1 | 173.3 | -70.2 | 178.7 | 13.6 | 0 | 0 | 111.2 | E44 S45 K50 L51 Q52 | E44-Q48 WeakPolarHBondContact O-CB 3.48Å; E44-Q48 VanDerWaalsContact O-CG 3.3Å; E44-Q48 WeakPolarHBondContact O-CG 3.18Å; E44-Q48 PolarHBondContact O-N 3.43Å; E44-Q48 PolarHBondContact OE1-NE2 3.4Å; S45-Q48 PolarHBondContact O-N 2.9Å; Q48-K50 PolarHBondContact O-N 2.84Å; Q48-L51 WeakPolarHBondContact O-CB 3.35Å; Q48-L51 PolarHBondContact O-N 2.82Å; Q48-Q52 WeakPolarHBondContact O-CG 3.38Å; Q48-Q52 PolarHBondContact O-N 3.1Å |
| 49 | Q | 86.6 | Confident | 76.4 | Confident | 112 Ų | 112 | 114 Ų | 114 | 52% | 0.523 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.2 | -41.5 | 174.9 | -169.7 | 179.9 | 11.1 | 0 | 0 | 111.6 | S45 M46 L51 Q52 L53 | S45-Q49 WeakPolarHBondContact O-CB 3.35Å; S45-Q49 PolarHBondContact O-N 2.89Å; M46-Q49 PolarHBondContact O-N 2.78Å; Q49-L51 VanDerWaalsContact C-N 3.34Å; Q49-L51 PolarHBondContact O-N 3.18Å; Q49-Q52 PolarHBondContact O-N 3.36Å; Q49-L53 HydrophobicContact CG-CD1 4.4Å; Q49-L53 WeakPolarHBondContact O-CB 3.45Å; Q49-L53 WeakPolarHBondContact O-CG 3.36Å; Q49-L53 PolarHBondContact O-N 3.35Å |
| 50 | K | 83.2 | Confident | 73.8 | Confident | 144 Ų | 144 | 117.4 Ų | 117.4 | 63% | 0.626 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.5 | -37.6 | 174.1 | -176.6 | 177.9 | -179.8 | 177 | 0 | 112.1 | M46 Y47 Q48 R54 | M46-K50 VanDerWaalsContact O-CB 3.29Å; M46-K50 WeakPolarHBondContact O-CB 3.46Å; M46-K50 PolarHBondContact O-N 2.85Å; Y47-K50 PolarHBondContact O-N 2.92Å; Q48-K50 PolarHBondContact O-N 2.84Å; K50-R54 WeakPolarHBondContact O-CB 3.37Å; K50-R54 PolarHBondContact O-N 2.93Å |
| 51 | L | 75.4 | Confident | 71.4 | Confident | 75 Ų | 75 | 123 Ų | 123 | 39% | 0.393 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.9 | -40.9 | 174 | -76.6 | 173.3 | 0 | 0 | 0 | 111.5 | Y47 Q48 Q49 R54 S55 | Y47-L51 HydrophobicContact CD1-CD1 3.83Å; Y47-L51 HydrophobicContact CD1-CG 4.41Å; Y47-L51 HydrophobicContact CE1-CD1 3.42Å; Y47-L51 VanDerWaalsContact CE1-CD1 3.42Å; Y47-L51 HydrophobicContact CE1-CG 4.08Å; Y47-L51 WeakPolarHBondContact O-CG 3.47Å; Y47-L51 PolarHBondContact O-N 3.38Å; Q48-L51 WeakPolarHBondContact O-CB 3.35Å; Q48-L51 PolarHBondContact O-N 2.82Å; Q49-L51 VanDerWaalsContact C-N 3.34Å; Q49-L51 PolarHBondContact O-N 3.18Å; L51-R54 PolarHBondContact O-N 3.31Å; L51-S55 PolarHBondContact O-N 3.35Å; L51-S55 PolarHBondContact O-OG 3.16Å |
| 52 | Q | 70.6 | Confident | 69 | Low | 131 Ų | 131 | 124.5 Ų | 124.5 | 61% | 0.612 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.5 | -46 | 174.2 | -71.2 | -179.6 | 4.1 | 0 | 0 | 111.6 | Q48 Q49 R54 S55 M56 | Q48-Q52 WeakPolarHBondContact O-CG 3.38Å; Q48-Q52 PolarHBondContact O-N 3.1Å; Q49-Q52 PolarHBondContact O-N 3.36Å; Q52-R54 VanDerWaalsContact C-N 3.27Å; Q52-R54 PolarHBondContact O-N 2.79Å; Q52-S55 WeakPolarHBondContact CA-OG 3.25Å; Q52-S55 PolarHBondContact O-N 3.49Å; Q52-S55 VanDerWaalsContact O-N 3.16Å; Q52-S55 PolarHBondContact O-OG 3.13Å; Q52-M56 PolarHBondContact O-N 3.17Å |
| 53 | L | 67 | Low | 66.6 | Low | 122 Ų | 122 | 124.6 Ų | 124.6 | 64% | 0.639 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -63.9 | -30.1 | 174.9 | -70.1 | 171 | 0 | 0 | 0 | 112.9 | Q49 | Q49-L53 HydrophobicContact CG-CD1 4.4Å; Q49-L53 WeakPolarHBondContact O-CB 3.45Å; Q49-L53 WeakPolarHBondContact O-CG 3.36Å; Q49-L53 PolarHBondContact O-N 3.35Å |
| 54 | R | 58.1 | Low | 64 | Low | 197 Ų | 197 | 129 Ų | 129 | 74% | 0.743 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -80.9 | -23.1 | 175.8 | -166.6 | -178.5 | -179.1 | -150.9 | -0.3 | 112.9 | K50 L51 Q52 M56 | K50-R54 WeakPolarHBondContact O-CB 3.37Å; K50-R54 PolarHBondContact O-N 2.93Å; L51-R54 PolarHBondContact O-N 3.31Å; Q52-R54 VanDerWaalsContact C-N 3.27Å; Q52-R54 PolarHBondContact O-N 2.79Å; R54-M56 VanDerWaalsContact C-N 3.31Å |
| 55 | S | 54.5 | Low | 61.2 | Low | 94 Ų | 94 | 132 Ų | 132 | 66% | 0.657 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -81.5 | -9.9 | 173.7 | 63 | 0 | 0 | 0 | 0 | 113.6 | L51 Q52 | L51-S55 PolarHBondContact O-N 3.35Å; L51-S55 PolarHBondContact O-OG 3.16Å; Q52-S55 WeakPolarHBondContact CA-OG 3.25Å; Q52-S55 PolarHBondContact O-N 3.49Å; Q52-S55 VanDerWaalsContact O-N 3.16Å; Q52-S55 PolarHBondContact O-OG 3.13Å |
| 56 | M | 49.8 | Very low | 58.9 | Low | 153 Ų | 153 | 134.1 Ų | 134.1 | 75% | 0.754 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -92 | 93.7 | 165 | -62.1 | -164.8 | 78.7 | 0 | 0 | 108.6 | Q52 R54 | Q52-M56 PolarHBondContact O-N 3.17Å; R54-M56 VanDerWaalsContact C-N 3.31Å |
| 57 | D | 41.6 | Very low | 56.4 | Low | 139 Ų | 139 | 131.7 Ų | 131.7 | 74% | 0.743 | 70% | 0.697 | S | S | * | * | trans | -67.7 | 153.6 | 168.1 | -91.5 | -30.5 | 0 | 0 | 0 | 110.6 | L59 | D57-L59 PolarHBondContact O-N 3.04Š| ||
| 58 | P | 51.5 | Low | 53.7 | Low | 121 Ų | 121 | 134 Ų | 134 | 79% | 0.786 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -76.4 | 84.6 | -164.2 | 31.2 | -34.8 | 0 | 0 | 0 | 111.6 | ||
| 59 | L | 44.1 | Very low | 51.4 | Low | 163 Ų | 163 | 139.4 Ų | 139.4 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | trans | -144.3 | 59.3 | 175.7 | -144 | 85.2 | 0 | 0 | 0 | 111.5 | D57 | D57-L59 PolarHBondContact O-N 3.04Š| ||
| 60 | D | 42.2 | Very low | 48.9 | Very low | 137 Ų | 137 | 142 Ų | 142 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | trans | 178.2 | 86.6 | 145.6 | -114.9 | -21.1 | 0 | 0 | 0 | 109.7 | ||||
| 61 | M | 42.3 | Very low | 46.3 | Very low | 198 Ų | 198 | 139.6 Ų | 139.6 | 98% | 0.975 | 74% | 0.739 | S | S | * | * | trans | -132.9 | 52.2 | 166 | -72 | -64.4 | -73.8 | 0 | 0 | 108.9 | ||||
| 62 | A | 44.3 | Very low | 44.1 | Very low | 90 Ų | 90 | 148.8 Ų | 148.8 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -125.2 | 1.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 63 | T | 45.8 | Very low | 42.2 | Very low | 113 Ų | 113 | 146.2 Ų | 146.2 | 69% | 0.693 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -145.6 | 93.4 | 175.7 | 46.5 | 0 | 0 | 0 | 0 | 111.4 | ||
| 64 | L | 37.3 | Very low | 40.7 | Very low | 181 Ų | 181 | 147 Ų | 147 | 95% | 0.948 | 77% | 0.77 | S | S | * | * | trans | -179.1 | 130.5 | 134.8 | -96.9 | 151.2 | 0 | 0 | 0 | 110.4 | ||||
| 65 | E | 33.9 | Very low | 39.4 | Very low | 178 Ų | 178 | 145.3 Ų | 145.3 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -66 | 163 | -174.8 | -90.2 | -81.4 | 125.7 | 0 | 0 | 114.3 | ||||
| 66 | P | 44.7 | Very low | 38.2 | Very low | 114 Ų | 114 | 149 Ų | 149 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | trans | -76.5 | 133.5 | -170.8 | -9.7 | 27.3 | 0 | 0 | 0 | 113.5 | ||||
| 67 | G | 36.7 | Very low | 37.5 | Very low | 60 Ų | 60 | 147.1 Ų | 147.1 | 62% | 0.619 | 79% | 0.787 | S | S | * | * | trans | -174.4 | 122.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 68 | H | 33.8 | Very low | 36.8 | Very low | 194 Ų | 194 | 145 Ų | 145 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | 86 | 71.6 | 166.5 | -47.4 | -68.3 | 0 | 0 | 0 | 117.4 | ||||
| 69 | R | 36.7 | Very low | 35.6 | Very low | 211 Ų | 211 | 143.3 Ų | 143.3 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | -60.5 | 130.7 | 145 | -178.7 | -168.6 | -113.3 | -115.3 | 3.1 | 110.8 | ||||
| 70 | L | 33.6 | Very low | 35.1 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | -143.9 | 93.1 | 140.1 | -75 | 178.7 | 0 | 0 | 0 | 106.2 | ||||
| 71 | L | 29.1 | Very low | 34.5 | Very low | 95 Ų | 95 | 143 Ų | 143 | 50% | 0.497 | 79% | 0.786 | S | S | . | * | 66.7 | 91.2 | 84.2 | -166.7 | 80.8 | 0 | 0 | 0 | 111.6 | S73 | L71-S73 VanDerWaalsContact CD1-OG 3.3Å; L71-S73 WeakPolarHBondContact CD1-OG 3.48Å | |||
| 72 | W | 28.5 | Very low | 34.1 | Very low | 267 Ų | 267 | 141.5 Ų | 141.5 | 100% | 1.011 | 78% | 0.775 | S | S | * | * | -118.7 | 122.4 | 127.2 | -74.8 | -9.1 | 0 | 0 | 0 | 107.6 | |||||
| 73 | S | 31.1 | Very low | 33.7 | Very low | 77 Ų | 77 | 142.9 Ų | 142.9 | 54% | 0.538 | 78% | 0.777 | S | S | . | * | trans | -80.3 | 138.2 | -176.9 | -58.9 | 0 | 0 | 0 | 0 | 111 | L71 | L71-S73 VanDerWaalsContact CD1-OG 3.3Å; L71-S73 WeakPolarHBondContact CD1-OG 3.48Å | ||
| 74 | N | 34.3 | Very low | 33.1 | Very low | 140 Ų | 140 | 145.5 Ų | 145.5 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | 38.5 | 136.6 | 128 | -49.2 | -33.8 | 0 | 0 | 0 | 117.4 | |||||
| 75 | L | 30.8 | Very low | 33.1 | Very low | 160 Ų | 160 | 147.6 Ų | 147.6 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | -149.9 | 126.1 | 58.8 | -80.5 | 81.2 | 0 | 0 | 0 | 111.2 | |||||
| 76 | N | 30.6 | Very low | 33.3 | Very low | 172 Ų | 172 | 147.6 Ų | 147.6 | 92% | 0.92 | 78% | 0.778 | S | S | * | * | trans | -102.6 | 125.3 | 151.2 | -99.4 | -13.3 | 0 | 0 | 0 | 107.5 | ||||
| 77 | P | 35.3 | Very low | 32.9 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | trans | -93.6 | 140.7 | 167.9 | 32.9 | -26.1 | 0 | 0 | 0 | 111.6 | ||||
| 78 | A | 26.3 | Very low | 32.8 | Very low | 94 Ų | 94 | 150.4 Ų | 150.4 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | trans | 68.9 | 113.2 | 152.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 79 | A | 26.5 | Very low | 33.3 | Very low | 85 Ų | 85 | 144.6 Ų | 144.6 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | 80.7 | 128.4 | 75.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 80 | S | 32.4 | Very low | 33.5 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | 56.6 | 80.6 | 154.1 | 63.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 81 | H | 30.8 | Very low | 34 | Very low | 192 Ų | 192 | 137.2 Ų | 137.2 | 89% | 0.889 | 76% | 0.755 | S | S | * | * | trans | -92.8 | 92.3 | 149.3 | -73.6 | -67.4 | 0 | 0 | 0 | 109.4 | ||||
| 82 | H | 33.6 | Very low | 34.7 | Very low | 165 Ų | 165 | 138.5 Ų | 138.5 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | -58.1 | 133.2 | 145.7 | -75.7 | -71.7 | 0 | 0 | 0 | 107.5 | L84 | H82-L84 PolarHBondContact O-N 2.94Š| ||
| 83 | P | 35 | Very low | 35.6 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | trans | -68.8 | 110.8 | 174.2 | 27.4 | -29.5 | 0 | 0 | 0 | 107.3 | R85 | P83-R85 PolarHBondContact O-N 3.09Š| ||
| 84 | L | 33.4 | Very low | 36.3 | Very low | 167 Ų | 167 | 138.9 Ų | 138.9 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | trans | -55.2 | 113 | 166.2 | -78.6 | 164.7 | 0 | 0 | 0 | 107.8 | H82 K86 | H82-L84 PolarHBondContact O-N 2.94Å; L84-K86 PolarHBondContact O-N 3.45Å | ||
| 85 | R | 38.8 | Very low | 36.5 | Very low | 225 Ų | 225 | 142.7 Ų | 142.7 | 85% | 0.849 | 76% | 0.761 | S | S | * | * | trans | -45.9 | 105.3 | 163.9 | -112.6 | -87.8 | -174.3 | -166.1 | -0.8 | 107.8 | P83 S87 | P83-R85 PolarHBondContact O-N 3.09Å; R85-S87 PolarHBondContact O-N 2.91Å; R85-S87 VanDerWaalsContact O-N 3.13Å | ||
| 86 | K | 38.2 | Very low | 36.5 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 77% | 0.774 | 76% | 0.76 | S | S | * | * | trans | -60.3 | 113.5 | 167.7 | -76.1 | 160.8 | 177.5 | 171.7 | 0 | 107.6 | L84 H88 | L84-K86 PolarHBondContact O-N 3.45Å; K86-H88 PolarHBondContact O-N 3.44Å | ||
| 87 | S | 36 | Very low | 36.7 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -71.7 | 110.9 | 165 | 24.7 | 0 | 0 | 0 | 0 | 107.6 | R85 S89 | R85-S87 PolarHBondContact O-N 2.91Å; R85-S87 VanDerWaalsContact O-N 3.13Å; S87-S89 PolarHBondContact O-N 2.86Å | ||
| 88 | H | 34.1 | Very low | 36.5 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 54% | 0.537 | 76% | 0.756 | S | S | . | * | trans | -65.6 | 130.3 | 173.3 | -66.6 | -78.1 | 0 | 0 | 0 | 109.5 | K86 E92 | K86-H88 PolarHBondContact O-N 3.44Å; H88-E92 IonicContact ND1-OE2 3.49Å | ||
| 89 | S | 43.9 | Very low | 36.7 | Very low | 73 Ų | 73 | 143.1 Ų | 143.1 | 51% | 0.51 | 76% | 0.762 | S | S | . | * | trans | -68.6 | 145.1 | 165.8 | 72.8 | 0 | 0 | 0 | 0 | 109.3 | S87 V91 E92 | S87-S89 PolarHBondContact O-N 2.86Å; S89-V91 PolarHBondContact O-N 2.92Å; S89-E92 PolarHBondContact O-N 3.39Å | ||
| 90 | A | 41.7 | Very low | 36.9 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -3.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 91 | V | 42.7 | Very low | 36.8 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -25.9 | -178.9 | 175.3 | 0 | 0 | 0 | 0 | 112.5 | S89 | S89-V91 PolarHBondContact O-N 2.92Š|
| 92 | E | 44.1 | Very low | 36.6 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 58% | 0.575 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -83.9 | -15.5 | -174 | -72.7 | -177.3 | 159.1 | 0 | 0 | 114.7 | H88 S89 R94 | H88-E92 IonicContact ND1-OE2 3.49Å; S89-E92 PolarHBondContact O-N 3.39Å; E92-R94 VanDerWaalsContact C-N 3.29Å; E92-R94 PolarHBondContact O-N 2.95Å |
| 93 | L | 47.6 | Very low | 36.4 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -80.5 | -1.8 | -176.3 | -68.4 | 177.6 | 0 | 0 | 0 | 114.7 | ||
| 94 | R | 45.5 | Very low | 36.5 | Very low | 216 Ų | 216 | 140.5 Ų | 140.5 | 82% | 0.815 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -85.9 | -9.6 | -177 | -172.4 | 172.4 | -87.5 | -110 | 4 | 114.2 | E92 | E92-R94 VanDerWaalsContact C-N 3.29Å; E92-R94 PolarHBondContact O-N 2.95Å |
| 95 | W | 39 | Very low | 37.2 | Very low | 219 Ų | 219 | 138.8 Ų | 138.8 | 83% | 0.83 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -124.8 | 5.3 | -165.2 | -68.4 | 96.4 | 0 | 0 | 0 | 117.6 | ||
| 96 | I | 30.8 | Very low | 37.1 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 82% | 0.815 | 74% | 0.739 | S | S | * | * | trans | -124 | 88.9 | 177.6 | -47.6 | 179.1 | 0 | 0 | 0 | 109.8 | ||||
| 97 | S | 34.1 | Very low | 37.1 | Very low | 131 Ų | 131 | 134 Ų | 134 | 92% | 0.916 | 74% | 0.74 | S | S | * | * | trans | -130.3 | 106.8 | 160 | -174.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 98 | G | 31.7 | Very low | 37 | Very low | 63 Ų | 63 | 132.1 Ų | 132.1 | 65% | 0.649 | 73% | 0.732 | S | S | * | * | trans | 157.8 | 98.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 99 | Q | 30.3 | Very low | 36.7 | Very low | 197 Ų | 197 | 138 Ų | 138 | 92% | 0.921 | 75% | 0.749 | S | S | * | * | trans | 90.8 | 119.1 | 150.4 | -58.7 | 175.1 | 26.9 | 0 | 0 | 119.4 | ||||
| 100 | S | 30.4 | Very low | 36 | Very low | 116 Ų | 116 | 138.9 Ų | 138.9 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | trans | -57.5 | 172.7 | 163.4 | -37.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 101 | D | 30.3 | Very low | 35.7 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | cis | -174.4 | 169.3 | 30.4 | -160.8 | -0.4 | 0 | 0 | 0 | 110.5 | ||||
| 102 | S | 27.9 | Very low | 35.2 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | trans | 76.7 | 137.2 | 157.9 | -168.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 103 | S | 29.5 | Very low | 34.9 | Very low | 97 Ų | 97 | 141.5 Ų | 141.5 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | cis | -172.1 | 146.5 | 2.3 | 43.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 104 | D | 36.6 | Very low | 34.3 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | 47.8 | 141.9 | 139.7 | -97.7 | -26 | 0 | 0 | 0 | 122.8 | ||||
| 105 | E | 47.5 | Very low | 34.4 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 62% | 0.617 | 78% | 0.777 | S | S | * | * | cis | -159.7 | 155.8 | 33.8 | -71.8 | -68.6 | 156.1 | 0 | 0 | 113.4 | ||||
| 106 | N | 37.6 | Very low | 34.9 | Very low | 129 Ų | 129 | 136.4 Ų | 136.4 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | trans | 60.7 | 143.2 | 142.6 | -71.8 | -38.4 | 0 | 0 | 0 | 123.3 | ||||
| 107 | E | 37.8 | Very low | 35.6 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | cis | -164.4 | 153.4 | 25.5 | -136.1 | 176 | -145.2 | 0 | 0 | 114.9 | ||||
| 108 | A | 33.7 | Very low | 36.4 | Very low | 77 Ų | 77 | 137.5 Ų | 137.5 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | trans | 52.3 | 123.9 | 146.6 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 109 | W | 27.3 | Very low | 37.5 | Very low | 239 Ų | 239 | 140 Ų | 140 | 91% | 0.905 | 76% | 0.759 | S | S | * | * | -178.9 | 148.2 | 78.9 | -133.8 | -51.5 | 0 | 0 | 0 | 114.1 | |||||
| 110 | S | 30.8 | Very low | 39.3 | Very low | 92 Ų | 92 | 133.5 Ų | 133.5 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | trans | 78.3 | 93.3 | 144.8 | 61.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 111 | N | 34.8 | Very low | 40.9 | Very low | 153 Ų | 153 | 132.9 Ų | 132.9 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | 35.3 | 120.5 | 123.4 | -59.2 | -31 | 0 | 0 | 0 | 119.9 | |||||
| 112 | T | 32.8 | Very low | 42.6 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | 166.9 | 111.9 | 115.5 | -70.9 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 113 | V | 37.3 | Very low | 44.6 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 72% | 0.715 | 71% | 0.711 | S | S | * | * | trans | 67.6 | 104.3 | 153.5 | -171.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 114 | E | 34.3 | Very low | 46.6 | Very low | 185 Ų | 185 | 134.9 Ų | 134.9 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | 158 | 134.7 | 97 | -134.5 | 164.8 | -173.3 | 0 | 0 | 110.3 | G116 | E114-G116 PolarHBondContact O-N 2.86Š| |||
| 115 | K | 48.5 | Very low | 48.5 | Very low | 213 Ų | 213 | 133 Ų | 133 | 93% | 0.926 | 69% | 0.692 | S | S | * | * | trans | -67 | 122.7 | -173.4 | -66.9 | 168.8 | 177.6 | 176.8 | 0 | 110.6 | ||||
| 116 | G | 48.1 | Very low | 49.8 | Very low | 65 Ų | 65 | 133.4 Ų | 133.4 | 67% | 0.67 | 69% | 0.692 | S | S | * | * | trans | 150.4 | 56.4 | 155.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | E114 | E114-G116 PolarHBondContact O-N 2.86Š| ||
| 117 | L | 47 | Very low | 51.6 | Low | 143 Ų | 143 | 129.9 Ų | 129.9 | 75% | 0.749 | 67% | 0.673 | S | S | * | * | trans | -144.9 | 73.5 | 161.6 | -72 | 177.4 | 0 | 0 | 0 | 110.9 | Y124 | L117-Y124 HydrophobicContact CD2-CD2 4.35Š| ||
| 118 | L | 49.5 | Very low | 53.3 | Low | 170 Ų | 170 | 127 Ų | 127 | 89% | 0.89 | 66% | 0.661 | S | S | * | * | trans | -99.1 | 28.3 | 163.7 | -76.9 | 173.6 | 0 | 0 | 0 | 111.8 | ||||
| 119 | F | 54.8 | Low | 54.8 | Low | 117 Ų | 117 | 132 Ų | 132 | 51% | 0.513 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -125.9 | 134.7 | 178.5 | -78.8 | -76.6 | 0 | 0 | 0 | 111 | E123 | F119-E123 HydrophobicContact CB-CB 4.17Å; F119-E123 HydrophobicContact CD1-CB 3.89Å; F119-E123 WeakPolarHBondContact CD1-OE2 3.43Å; F119-E123 HydrophobicContact CG-CB 4.48Å |
| 120 | S | 68.1 | Low | 56.6 | Low | 60 Ų | 60 | 126.9 Ų | 126.9 | 42% | 0.42 | 65% | 0.647 | S | S | . | * | trans | -52.1 | 143.9 | 172.5 | 177 | 0 | 0 | 0 | 0 | 109.8 | K122 E123 Y124 | S120-K122 PolarHBondContact O-N 3.3Å; S120-E123 PolarHBondContact N-OE2 3.36Å; S120-E123 WeakPolarHBondContact O-CA 3.34Å; S120-E123 WeakPolarHBondContact O-CB 3.38Å; S120-E123 PolarHBondContact O-N 2.88Å; S120-Y124 PolarHBondContact O-N 2.93Å | ||
| 121 | P | 64.2 | Low | 58 | Low | 102 Ų | 102 | 129.6 Ų | 129.6 | 66% | 0.662 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -52 | -29.8 | 176.3 | -28.9 | 35.4 | 0 | 0 | 0 | 113.7 | I125 | P121-I125 WeakPolarHBondContact O-CD1 3.24Å; P121-I125 VanDerWaalsContact O-CG1 3.3Å; P121-I125 WeakPolarHBondContact O-CG1 3.36Å; P121-I125 PolarHBondContact O-N 2.94Å |
| 122 | K | 66.7 | Low | 59.2 | Low | 176 Ų | 176 | 129.1 Ų | 129.1 | 77% | 0.765 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.2 | -35.4 | 172.4 | -92.8 | -177.7 | 172.8 | 178.5 | 0 | 113.5 | S120 K126 | S120-K122 PolarHBondContact O-N 3.3Å; K122-K126 WeakPolarHBondContact O-CB 3.38Å; K122-K126 PolarHBondContact O-N 3.45Å; K122-K126 VanDerWaalsContact O-N 3.09Å |
| 123 | E | 70.1 | Confident | 60.5 | Low | 93 Ų | 93 | 132.2 Ų | 132.2 | 44% | 0.435 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -77.5 | -34.1 | 177.4 | -72.3 | 176.4 | 140.2 | 0 | 0 | 112.1 | F119 S120 K126 N127 | F119-E123 HydrophobicContact CB-CB 4.17Å; F119-E123 HydrophobicContact CD1-CB 3.89Å; F119-E123 WeakPolarHBondContact CD1-OE2 3.43Å; F119-E123 HydrophobicContact CG-CB 4.48Å; S120-E123 PolarHBondContact N-OE2 3.36Å; S120-E123 WeakPolarHBondContact O-CA 3.34Å; S120-E123 WeakPolarHBondContact O-CB 3.38Å; S120-E123 PolarHBondContact O-N 2.88Å; E123-K126 PolarHBondContact O-N 2.92Å; E123-N127 WeakPolarHBondContact O-CB 3.35Å; E123-N127 PolarHBondContact O-N 3.38Å |
| 124 | Y | 71.9 | Confident | 61.6 | Low | 129 Ų | 129 | 132.9 Ų | 132.9 | 51% | 0.506 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -59.9 | -50 | 172.3 | -175.9 | -101.8 | 0 | 0 | 0 | 110.9 | L117 S120 K126 N127 M128 | L117-Y124 HydrophobicContact CD2-CD2 4.35Å; S120-Y124 PolarHBondContact O-N 2.93Å; Y124-K126 VanDerWaalsContact C-N 3.33Å; Y124-K126 PolarHBondContact O-N 2.92Å; Y124-N127 PolarHBondContact O-N 3.49Å; Y124-M128 HydrophobicContact CE1-CG 4.31Å; Y124-M128 HydrophobicContact CE1-SD 3.89Å; Y124-M128 VanDerWaalsContact O-CG 3.28Å; Y124-M128 WeakPolarHBondContact O-CG 3.34Å; Y124-M128 PolarHBondContact O-N 3.43Å; Y124-M128 VanDerWaalsContact O-N 3.1Å |
| 125 | I | 75.8 | Confident | 62 | Low | 97 Ų | 97 | 129.6 Ų | 129.6 | 50% | 0.497 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -60.5 | -44.2 | 175.6 | -64.9 | 166.3 | 0 | 0 | 0 | 110.3 | P121 N127 M128 | P121-I125 WeakPolarHBondContact O-CD1 3.24Å; P121-I125 VanDerWaalsContact O-CG1 3.3Å; P121-I125 WeakPolarHBondContact O-CG1 3.36Å; P121-I125 PolarHBondContact O-N 2.94Å; I125-N127 VanDerWaalsContact C-N 3.32Å; I125-N127 PolarHBondContact O-N 3.29Å; I125-M128 PolarHBondContact O-N 2.78Å |
| 126 | K | 74.3 | Confident | 61.8 | Low | 142 Ų | 142 | 124 Ų | 124 | 62% | 0.617 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65 | -33 | 180 | -167.1 | 175.8 | -178 | -178.3 | 0 | 113 | K122 E123 Y124 | K122-K126 WeakPolarHBondContact O-CB 3.38Å; K122-K126 PolarHBondContact O-N 3.45Å; K122-K126 VanDerWaalsContact O-N 3.09Å; E123-K126 PolarHBondContact O-N 2.92Å; Y124-K126 VanDerWaalsContact C-N 3.33Å; Y124-K126 PolarHBondContact O-N 2.92Å |
| 127 | N | 75.6 | Confident | 61.4 | Low | 55 Ų | 55 | 127 Ų | 127 | 29% | 0.294 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -74.7 | -30.6 | 176.6 | -77.5 | -6.3 | 0 | 0 | 0 | 112.4 | E123 Y124 I125 W129 K130 | E123-N127 WeakPolarHBondContact O-CB 3.35Å; E123-N127 PolarHBondContact O-N 3.38Å; Y124-N127 PolarHBondContact O-N 3.49Å; I125-N127 VanDerWaalsContact C-N 3.32Å; I125-N127 PolarHBondContact O-N 3.29Å; N127-W129 PolarHBondContact O-N 3.42Å; N127-W129 VanDerWaalsContact O-N 3.15Å; N127-K130 PolarHBondContact O-N 3.26Å; N127-K130 VanDerWaalsContact O-N 3.11Å; N127-K130 WeakPolarHBondContact OD1-CD 3.28Å; N127-K130 VanDerWaalsContact OD1-CE 3.3Å; N127-K130 WeakPolarHBondContact OD1-CE 3.42Å; N127-K130 PolarHBondContact OD1-NZ 3.17Å |
| 128 | M | 73.7 | Confident | 61 | Low | 112 Ų | 112 | 126.4 Ų | 126.4 | 55% | 0.552 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -61.4 | -24 | 175.9 | -62 | -144.2 | -48.3 | 0 | 0 | 113.9 | Y124 I125 | Y124-M128 HydrophobicContact CE1-CG 4.31Å; Y124-M128 HydrophobicContact CE1-SD 3.89Å; Y124-M128 VanDerWaalsContact O-CG 3.28Å; Y124-M128 WeakPolarHBondContact O-CG 3.34Å; Y124-M128 PolarHBondContact O-N 3.43Å; Y124-M128 VanDerWaalsContact O-N 3.1Å; I125-M128 PolarHBondContact O-N 2.78Å |
| 129 | W | 65.2 | Low | 60.4 | Low | 183 Ų | 183 | 125.3 Ų | 125.3 | 69% | 0.693 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -4.7 | 179 | -65.6 | 98.1 | 0 | 0 | 0 | 114.1 | N127 | N127-W129 PolarHBondContact O-N 3.42Å; N127-W129 VanDerWaalsContact O-N 3.15Å |
| 130 | K | 65.4 | Low | 59.5 | Low | 131 Ų | 131 | 130.1 Ų | 130.1 | 57% | 0.57 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -31.6 | -177.9 | -72 | 178.6 | -176.4 | 172 | 0 | 113.1 | N127 | N127-K130 PolarHBondContact O-N 3.26Å; N127-K130 VanDerWaalsContact O-N 3.11Å; N127-K130 WeakPolarHBondContact OD1-CD 3.28Å; N127-K130 VanDerWaalsContact OD1-CE 3.3Å; N127-K130 WeakPolarHBondContact OD1-CE 3.42Å; N127-K130 PolarHBondContact OD1-NZ 3.17Å |
| 131 | D | 60.5 | Low | 57.8 | Low | 148 Ų | 148 | 135 Ų | 135 | 79% | 0.791 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -100.6 | 2.5 | -176.8 | -58.6 | -31.8 | 0 | 0 | 0 | 113.1 | K133 | D131-K133 PolarHBondContact O-N 2.97Å; D131-K133 VanDerWaalsContact O-N 3.07Å |
| 132 | F | 58.6 | Low | 56.3 | Low | 143 Ų | 143 | 134.6 Ų | 134.6 | 63% | 0.627 | 65% | 0.649 | S | S | * | * | trans | -80.6 | 89.9 | -179.7 | -155.9 | -91.6 | 0 | 0 | 0 | 110.6 | I134 | F132-I134 HydrophobicContact CD1-CG1 4.12Å; F132-I134 HydrophobicContact CE1-CD1 4.34Å; F132-I134 HydrophobicContact CE1-CG1 3.84Å | ||
| 133 | K | 61.9 | Low | 54.8 | Low | 194 Ų | 194 | 132.2 Ų | 132.2 | 84% | 0.843 | 66% | 0.655 | S | S | * | * | trans | -98.2 | 114.3 | 171 | -67.9 | -166.2 | 179 | -177.6 | 0 | 110.7 | D131 | D131-K133 PolarHBondContact O-N 2.97Å; D131-K133 VanDerWaalsContact O-N 3.07Å | ||
| 134 | I | 58.7 | Low | 52.8 | Low | 133 Ų | 133 | 132.7 Ų | 132.7 | 68% | 0.682 | 67% | 0.668 | S | S | * | * | trans | -75.4 | 127.4 | 168.1 | -60.1 | 169.6 | 0 | 0 | 0 | 107.6 | F132 S136 | F132-I134 HydrophobicContact CD1-CG1 4.12Å; F132-I134 HydrophobicContact CE1-CD1 4.34Å; F132-I134 HydrophobicContact CE1-CG1 3.84Å; I134-S136 PolarHBondContact O-N 2.9Å; I134-S136 VanDerWaalsContact O-N 3.14Å | ||
| 135 | P | 43.5 | Very low | 51.1 | Low | 115 Ų | 115 | 131.8 Ų | 131.8 | 75% | 0.747 | 68% | 0.681 | S | S | * | * | trans | -62.5 | 116.9 | 171 | -14.9 | 27.8 | 0 | 0 | 0 | 109 | N137 | P135-N137 VanDerWaalsContact C-N 3.28Å; P135-N137 PolarHBondContact O-N 3.45Å | ||
| 136 | S | 43.6 | Very low | 49.3 | Very low | 97 Ų | 97 | 133.6 Ų | 133.6 | 68% | 0.678 | 70% | 0.696 | S | S | * | * | trans | -70.5 | 82.6 | 177.5 | -170 | 0 | 0 | 0 | 0 | 109.9 | I134 N138 | I134-S136 PolarHBondContact O-N 2.9Å; I134-S136 VanDerWaalsContact O-N 3.14Å; S136-N138 PolarHBondContact O-N 3.2Å; S136-N138 VanDerWaalsContact O-N 3.12Å; S136-N138 PolarHBondContact OG-OD1 3.01Å; S136-N138 VanDerWaalsContact OG-OD1 3.05Å | ||
| 137 | N | 39.6 | Very low | 47.3 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 67% | 0.674 | 71% | 0.708 | S | S | * | * | trans | -79.4 | 93.1 | 167.3 | -153.1 | 14.6 | 0 | 0 | 0 | 108.1 | P135 H139 | P135-N137 VanDerWaalsContact C-N 3.28Å; P135-N137 PolarHBondContact O-N 3.45Å; N137-H139 PolarHBondContact O-N 3.36Å | ||
| 138 | N | 38.4 | Very low | 45.5 | Very low | 131 Ų | 131 | 138.9 Ų | 138.9 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | trans | -67.7 | 90.5 | 174.9 | -69.2 | -27 | 0 | 0 | 0 | 109.4 | S136 R140 | S136-N138 PolarHBondContact O-N 3.2Å; S136-N138 VanDerWaalsContact O-N 3.12Å; S136-N138 PolarHBondContact OG-OD1 3.01Å; S136-N138 VanDerWaalsContact OG-OD1 3.05Å; N138-R140 VanDerWaalsContact C-N 3.26Å; N138-R140 PolarHBondContact O-N 3.42Å | ||
| 139 | H | 38 | Very low | 43.7 | Very low | 148 Ų | 148 | 138 Ų | 138 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | trans | -74.9 | 88.3 | 162.5 | -77.8 | -51.7 | 0 | 0 | 0 | 109.5 | N137 M141 | N137-H139 PolarHBondContact O-N 3.36Å; H139-M141 PolarHBondContact O-N 2.83Å; H139-M141 VanDerWaalsContact O-N 3.16Å | ||
| 140 | R | 35.4 | Very low | 42.7 | Very low | 217 Ų | 217 | 135.7 Ų | 135.7 | 82% | 0.819 | 75% | 0.753 | S | S | * | * | trans | -58.8 | 106.8 | 158.8 | -177.9 | -175.2 | -82.2 | -105.8 | 4.4 | 107.7 | N138 S142 | N138-R140 VanDerWaalsContact C-N 3.26Å; N138-R140 PolarHBondContact O-N 3.42Å; R140-S142 PolarHBondContact O-N 2.83Å | ||
| 141 | M | 33.8 | Very low | 41.1 | Very low | 164 Ų | 164 | 133.3 Ų | 133.3 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | -70.9 | 111.8 | 160.9 | -67.5 | -79.4 | 94 | 0 | 0 | 107.6 | H139 | H139-M141 PolarHBondContact O-N 2.83Å; H139-M141 VanDerWaalsContact O-N 3.16Å | ||
| 142 | S | 32.6 | Very low | 39.9 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | trans | -150.2 | 117.6 | 161.8 | -68.7 | 0 | 0 | 0 | 0 | 108.8 | R140 | R140-S142 PolarHBondContact O-N 2.83Š| ||
| 143 | S | 33.3 | Very low | 39.2 | Very low | 127 Ų | 127 | 134 Ų | 134 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | trans | -69.5 | 126.7 | 171.2 | -43.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 144 | S | 29.8 | Very low | 38 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | -175 | 109.2 | 155.3 | 53.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 145 | S | 36.2 | Very low | 36.9 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | 42.4 | 99.9 | 89.6 | -169.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 146 | V | 36.5 | Very low | 36.5 | Very low | 136 Ų | 136 | 140 Ų | 140 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | -177.3 | 138.9 | 110.8 | -87.3 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 147 | H | 33.2 | Very low | 36.1 | Very low | 185 Ų | 185 | 146.1 Ų | 146.1 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | -62.7 | 149.1 | 165.5 | -62.4 | -49.3 | 0 | 0 | 0 | 111.7 | ||||
| 148 | S | 37 | Very low | 36 | Very low | 123 Ų | 123 | 149.4 Ų | 149.4 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | -169.9 | 121 | 125.3 | -77.5 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 149 | A | 35.8 | Very low | 35.7 | Very low | 93 Ų | 93 | 152.2 Ų | 152.2 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -71.7 | 174 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 150 | P | 44.5 | Very low | 35.4 | Very low | 134 Ų | 134 | 154.1 Ų | 154.1 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | -148.6 | 165.3 | 76.4 | 35.2 | -15 | 0 | 0 | 0 | 114.6 | |||||
| 151 | G | 32 | Very low | 35.5 | Very low | 81 Ų | 81 | 150.8 Ų | 150.8 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | 163.9 | 60.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 152 | D | 34.6 | Very low | 35.9 | Very low | 115 Ų | 115 | 152.7 Ų | 152.7 | 62% | 0.615 | 79% | 0.793 | S | S | * | * | trans | -56.7 | 135.4 | -179.3 | -150.9 | -4.5 | 0 | 0 | 0 | 113.3 | R154 | D152-R154 IonicContact OD1-NE 3.67Š| ||
| 153 | Q | 44.5 | Very low | 36 | Very low | 191 Ų | 191 | 153.6 Ų | 153.6 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | -175.6 | 96.3 | 121.7 | -97.9 | 178.7 | 63.6 | 0 | 0 | 113.5 | |||||
| 154 | R | 36.2 | Very low | 36.2 | Very low | 203 Ų | 203 | 156.4 Ų | 156.4 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | -3.2 | 135.9 | 144.8 | -53.8 | 176.9 | -176.3 | -159.9 | -3.8 | 118.9 | D152 | D152-R154 IonicContact OD1-NE 3.67Š| ||
| 155 | R | 37 | Very low | 36.9 | Very low | 244 Ų | 244 | 159.6 Ų | 159.6 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | 174.2 | 152.3 | 113.4 | -90.8 | 170.7 | -164 | -138.4 | 5.5 | 108.7 | |||||
| 156 | L | 34.7 | Very low | 37.1 | Very low | 122 Ų | 122 | 163.7 Ų | 163.7 | 64% | 0.639 | 81% | 0.809 | S | S | * | * | cis | -174.5 | 133.8 | -33.5 | -161.5 | 81.1 | 0 | 0 | 0 | 104.6 | ||||
| 157 | R | 34.3 | Very low | 37.8 | Very low | 224 Ų | 224 | 164.6 Ų | 164.6 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | trans | 72.4 | 141.3 | 162.3 | -40.4 | -162.7 | 165.8 | 158.5 | -4.8 | 115.2 | ||||
| 158 | K | 37.3 | Very low | 38.2 | Very low | 195 Ų | 195 | 159.1 Ų | 159.1 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | cis | -168.3 | 138.8 | 46.5 | -167.7 | 166.4 | -179.9 | 179 | 0 | 110.9 | ||||
| 159 | R | 33.7 | Very low | 38.7 | Very low | 191 Ų | 191 | 162.6 Ų | 162.6 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | trans | 8.2 | 146.5 | 153 | -82.4 | -167.4 | 161.9 | -167.8 | -3.5 | 122.5 | ||||
| 160 | R | 31.5 | Very low | 39.5 | Very low | 188 Ų | 188 | 164.1 Ų | 164.1 | 71% | 0.709 | 80% | 0.804 | S | S | * | * | trans | 77 | 139.2 | 138.6 | -85.2 | -177 | -178.2 | 177.8 | -6.2 | 114.9 | ||||
| 161 | D | 38 | Very low | 40.2 | Very low | 147 Ų | 147 | 165.2 Ų | 165.2 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | cis | -150.7 | 171.4 | 26.7 | -88.1 | -45.4 | 0 | 0 | 0 | 112.2 | ||||
| 162 | K | 40.5 | Very low | 41.6 | Very low | 203 Ų | 203 | 167.7 Ų | 167.7 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -74.1 | 146.1 | 172.8 | -64.5 | 179.2 | 172.4 | -175.1 | 0 | 112.3 | ||||
| 163 | S | 35.1 | Very low | 43.4 | Very low | 111 Ų | 111 | 168.4 Ų | 168.4 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -172 | 109.4 | 142.8 | 33.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 164 | E | 37.3 | Very low | 44.8 | Very low | 187 Ų | 187 | 165.2 Ų | 165.2 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | 57.7 | 90.7 | 96 | -71.7 | -170.9 | 178.2 | 0 | 0 | 114.1 | |||||
| 165 | Q | 44.7 | Very low | 46.8 | Very low | 169 Ų | 169 | 160.8 Ų | 160.8 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | 46.7 | 117 | 126.6 | -153.6 | 168.4 | 11.5 | 0 | 0 | 119.4 | |||||
| 166 | E | 41.5 | Very low | 49 | Very low | 196 Ų | 196 | 157.6 Ų | 157.6 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | -151.6 | 131.4 | 137.9 | -80.8 | -141.9 | 163 | 0 | 0 | 111.1 | ||||
| 167 | D | 49.4 | Very low | 51.5 | Low | 155 Ų | 155 | 155 Ų | 155 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -79 | 138.3 | 170.2 | -74.1 | -57.4 | 0 | 0 | 0 | 111 | ||||
| 168 | G | 42.4 | Very low | 54 | Low | 69 Ų | 69 | 150.2 Ų | 150.2 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | 168.8 | 108 | 165.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 169 | K | 48.5 | Very low | 56.2 | Low | 196 Ų | 196 | 147.9 Ų | 147.9 | 85% | 0.852 | 76% | 0.762 | S | S | * | * | trans | 74.2 | 133.8 | 150.8 | -50.8 | 179.4 | -172.6 | 178.2 | 0 | 119.8 | ||||
| 170 | P | 51.9 | Low | 58.4 | Low | 125 Ų | 125 | 144.3 Ų | 144.3 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | trans | -79.8 | 128.7 | 171.5 | 31 | -31.5 | 0 | 0 | 0 | 112.2 | V172 | P170-V172 PolarHBondContact O-N 2.82Š| ||
| 171 | N | 59.4 | Low | 60.9 | Low | 158 Ų | 158 | 137.6 Ų | 137.6 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | trans | -70.1 | 118.8 | 177.5 | -70.5 | -38.8 | 0 | 0 | 0 | 111.8 | T173 | N171-T173 PolarHBondContact O-N 3.24Š| ||
| 172 | V | 60.3 | Low | 63.1 | Low | 132 Ų | 132 | 134.3 Ų | 134.3 | 80% | 0.8 | 72% | 0.717 | S | S | * | * | trans | -75.5 | 114.8 | 173.7 | 176 | 0 | 0 | 0 | 0 | 109.4 | P170 V174 | P170-V172 PolarHBondContact O-N 2.82Å; V172-V174 PolarHBondContact O-N 3.2Å | ||
| 173 | T | 73.1 | Confident | 65.2 | Low | 130 Ų | 130 | 133.3 Ų | 133.3 | 80% | 0.798 | 71% | 0.707 | S | S | * | * | trans | -76.1 | 115.4 | 175.4 | -53.8 | 0 | 0 | 0 | 0 | 110.3 | N171 | N171-T173 PolarHBondContact O-N 3.24Š| ||
| 174 | V | 73.1 | Confident | 67.4 | Low | 124 Ų | 124 | 133 Ų | 133 | 75% | 0.752 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 122.1 | 171 | -178.7 | 0 | 0 | 0 | 0 | 108.9 | V172 | V172-V174 PolarHBondContact O-N 3.2Š|
| 175 | P | 80.1 | Confident | 69.5 | Low | 111 Ų | 111 | 126 Ų | 126 | 72% | 0.721 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 138.8 | 178.9 | 26.2 | -32.3 | 0 | 0 | 0 | 111.3 | ||
| 176 | K | 83 | Confident | 71.4 | Confident | 177 Ų | 177 | 123.2 Ų | 123.2 | 77% | 0.77 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 128.8 | 176.2 | -172 | 176.1 | -179.9 | 178.2 | 0 | 109.7 | ||
| 177 | P | 87.4 | Confident | 73.3 | Confident | 68 Ų | 68 | 119.8 Ų | 119.8 | 44% | 0.442 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 154.5 | -179.3 | 26.1 | -34.3 | 0 | 0 | 0 | 111.7 | L182 | P177-L182 HydrophobicContact CG-CD2 4.2Š|
| 178 | F | 85.2 | Confident | 74.6 | Confident | 122 Ų | 122 | 117.2 Ų | 117.2 | 54% | 0.535 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -69.7 | 147.7 | 179.3 | 46.3 | -86.6 | 0 | 0 | 0 | 111 | M180 T181 L182 | F178-M180 HydrophobicContact CD2-CB 3.9Å; F178-M180 HydrophobicContact CD2-CE 3.91Å; F178-M180 HydrophobicContact CE2-CB 4.38Å; F178-M180 HydrophobicContact CE2-CE 3.79Å; F178-M180 PolarHBondContact O-N 3.43Å; F178-M180 VanDerWaalsContact O-N 3.09Å; F178-T181 VanDerWaalsContact CD1-OG1 3.31Å; F178-T181 WeakPolarHBondContact CD1-OG1 3.33Å; F178-T181 WeakPolarHBondContact CD2-OG1 3.42Å; F178-T181 VanDerWaalsContact CE1-OG1 3.24Å; F178-T181 WeakPolarHBondContact CE1-OG1 3.33Å; F178-T181 HydrophobicContact CE2-CG2 4.32Å; F178-T181 WeakPolarHBondContact CE2-OG1 3.43Å; F178-T181 WeakPolarHBondContact CG-OG1 3.46Å; F178-T181 HydrophobicContact CZ-CG2 4.22Å; F178-T181 WeakPolarHBondContact CZ-OG1 2.97Å; F178-T181 WeakPolarHBondContact O-CB 3.43Å; F178-T181 PolarHBondContact O-N 2.88Å; F178-T181 PolarHBondContact O-OG1 3.4Å; F178-T181 VanDerWaalsContact O-OG1 3.04Å; F178-L182 PolarHBondContact O-N 3.37Å |
| 179 | H | 84.2 | Confident | 76.4 | Confident | 147 Ų | 147 | 122.5 Ų | 122.5 | 68% | 0.681 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -58.6 | -27.5 | -176.9 | -67.7 | 88.6 | 0 | 0 | 0 | 113.4 | L182 R183 | H179-L182 PolarHBondContact O-N 3.34Å; H179-R183 PolarHBondContact O-N 3.34Å |
| 180 | M | 80.4 | Confident | 77.9 | Confident | 115 Ų | 115 | 122.9 Ų | 122.9 | 57% | 0.567 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.4 | -31.7 | 174 | 172 | -177.4 | 61.8 | 0 | 0 | 112.6 | F178 L182 R183 E184 | F178-M180 HydrophobicContact CD2-CB 3.9Å; F178-M180 HydrophobicContact CD2-CE 3.91Å; F178-M180 HydrophobicContact CE2-CB 4.38Å; F178-M180 HydrophobicContact CE2-CE 3.79Å; F178-M180 PolarHBondContact O-N 3.43Å; F178-M180 VanDerWaalsContact O-N 3.09Å; M180-L182 VanDerWaalsContact C-N 3.32Å; M180-L182 PolarHBondContact O-N 2.87Å; M180-R183 PolarHBondContact O-N 2.87Å; M180-E184 WeakPolarHBondContact O-CG 3.46Å; M180-E184 PolarHBondContact O-N 3.45Å |
| 181 | T | 83.1 | Confident | 79.1 | Confident | 47 Ų | 47 | 119.9 Ų | 119.9 | 29% | 0.288 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.5 | -40.6 | 171.9 | -26.2 | 0 | 0 | 0 | 0 | 110.8 | F178 E184 A185 | F178-T181 VanDerWaalsContact CD1-OG1 3.31Å; F178-T181 WeakPolarHBondContact CD1-OG1 3.33Å; F178-T181 WeakPolarHBondContact CD2-OG1 3.42Å; F178-T181 VanDerWaalsContact CE1-OG1 3.24Å; F178-T181 WeakPolarHBondContact CE1-OG1 3.33Å; F178-T181 HydrophobicContact CE2-CG2 4.32Å; F178-T181 WeakPolarHBondContact CE2-OG1 3.43Å; F178-T181 WeakPolarHBondContact CG-OG1 3.46Å; F178-T181 HydrophobicContact CZ-CG2 4.22Å; F178-T181 WeakPolarHBondContact CZ-OG1 2.97Å; F178-T181 WeakPolarHBondContact O-CB 3.43Å; F178-T181 PolarHBondContact O-N 2.88Å; F178-T181 PolarHBondContact O-OG1 3.4Å; F178-T181 VanDerWaalsContact O-OG1 3.04Å; T181-E184 PolarHBondContact O-N 3.49Å; T181-A185 WeakPolarHBondContact O-CB 3.23Å; T181-A185 PolarHBondContact O-N 2.9Å |
| 182 | L | 84.6 | Confident | 80.1 | Confident | 79 Ų | 79 | 115.8 Ų | 115.8 | 41% | 0.414 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.7 | -42.1 | 178.9 | -61.2 | 177.6 | 0 | 0 | 0 | 110.7 | P177 F178 H179 M180 E184 A185 E186 | P177-L182 HydrophobicContact CG-CD2 4.2Å; F178-L182 PolarHBondContact O-N 3.37Å; H179-L182 PolarHBondContact O-N 3.34Å; M180-L182 VanDerWaalsContact C-N 3.32Å; M180-L182 PolarHBondContact O-N 2.87Å; L182-E184 PolarHBondContact O-N 3.07Å; L182-A185 PolarHBondContact O-N 3.08Å; L182-E186 WeakPolarHBondContact O-CG 3.38Å; L182-E186 PolarHBondContact O-N 3.33Å |
| 183 | R | 84.1 | Confident | 81.1 | Confident | 181 Ų | 181 | 114.6 Ų | 114.6 | 68% | 0.683 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.7 | -43.9 | 174.2 | -176.3 | -173.9 | -74 | -172.7 | -3.9 | 112.2 | H179 M180 R187 | H179-R183 PolarHBondContact O-N 3.34Å; M180-R183 PolarHBondContact O-N 2.87Å; R183-R187 WeakPolarHBondContact O-CG 3.48Å; R183-R187 PolarHBondContact O-N 3Å; R183-R187 VanDerWaalsContact O-N 3.13Å |
| 184 | E | 82.8 | Confident | 81.5 | Confident | 104 Ų | 104 | 110.9 Ų | 110.9 | 49% | 0.486 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.8 | -41.6 | 177.1 | -73.2 | -179.7 | 168.4 | 0 | 0 | 112 | M180 T181 L182 E186 R187 L188 | M180-E184 WeakPolarHBondContact O-CG 3.46Å; M180-E184 PolarHBondContact O-N 3.45Å; T181-E184 PolarHBondContact O-N 3.49Å; L182-E184 PolarHBondContact O-N 3.07Å; E184-E186 VanDerWaalsContact C-N 3.32Å; E184-E186 PolarHBondContact O-N 3.02Å; E184-R187 WeakPolarHBondContact O-CB 3.35Å; E184-R187 PolarHBondContact O-N 3.29Å; E184-R187 VanDerWaalsContact O-N 3.15Å; E184-L188 WeakPolarHBondContact O-CG 3.43Å; E184-L188 PolarHBondContact O-N 3.19Å |
| 185 | A | 80.8 | Confident | 81.8 | Confident | 41 Ų | 41 | 115.7 Ų | 115.7 | 34% | 0.339 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62 | -37.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T181 L182 L188 K189 | T181-A185 WeakPolarHBondContact O-CB 3.23Å; T181-A185 PolarHBondContact O-N 2.9Å; L182-A185 PolarHBondContact O-N 3.08Å; A185-L188 PolarHBondContact O-N 3.14Å; A185-K189 VanDerWaalsContact O-CG 3.3Å; A185-K189 WeakPolarHBondContact O-CG 3.26Å; A185-K189 PolarHBondContact O-N 2.88Å |
| 186 | E | 84.1 | Confident | 81.8 | Confident | 111 Ų | 111 | 113.7 Ų | 113.7 | 52% | 0.519 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.9 | -35.6 | 173.6 | -75.8 | 177.9 | -172.4 | 0 | 0 | 112.9 | L182 E184 K189 R190 | L182-E186 WeakPolarHBondContact O-CG 3.38Å; L182-E186 PolarHBondContact O-N 3.33Å; E184-E186 VanDerWaalsContact C-N 3.32Å; E184-E186 PolarHBondContact O-N 3.02Å; E186-K189 PolarHBondContact O-N 3.49Å; E186-R190 WeakPolarHBondContact O-CG 3.49Å; E186-R190 PolarHBondContact O-N 3.46Å; E186-R190 VanDerWaalsContact O-N 3.09Å |
| 187 | R | 80.8 | Confident | 81.9 | Confident | 124 Ų | 124 | 109.1 Ų | 109.1 | 47% | 0.468 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 173.7 | -74.3 | -178.4 | 64 | -162.5 | -2 | 112.1 | R183 E184 R190 G191 V192 | R183-R187 WeakPolarHBondContact O-CG 3.48Å; R183-R187 PolarHBondContact O-N 3Å; R183-R187 VanDerWaalsContact O-N 3.13Å; E184-R187 WeakPolarHBondContact O-CB 3.35Å; E184-R187 PolarHBondContact O-N 3.29Å; E184-R187 VanDerWaalsContact O-N 3.15Å; R187-R190 PolarHBondContact O-N 3.36Å; R187-G191 PolarHBondContact O-N 2.86Å; R187-V192 PolarHBondContact O-N 3.31Å |
| 188 | L | 76.8 | Confident | 81.9 | Confident | 100 Ų | 100 | 108.7 Ų | 108.7 | 52% | 0.524 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 173.6 | -69 | 172 | 0 | 0 | 0 | 111.3 | E184 A185 R190 G191 | E184-L188 WeakPolarHBondContact O-CG 3.43Å; E184-L188 PolarHBondContact O-N 3.19Å; A185-L188 PolarHBondContact O-N 3.14Å; L188-R190 PolarHBondContact O-N 3.45Å; L188-G191 PolarHBondContact O-N 2.98Å |
| 189 | K | 80 | Confident | 82 | Confident | 181 Ų | 181 | 108.9 Ų | 108.9 | 79% | 0.787 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.3 | -29.3 | 174.6 | -74.1 | 175.6 | -177.8 | -176.3 | 0 | 113.3 | A185 E186 G191 | A185-K189 VanDerWaalsContact O-CG 3.3Å; A185-K189 WeakPolarHBondContact O-CG 3.26Å; A185-K189 PolarHBondContact O-N 2.88Å; E186-K189 PolarHBondContact O-N 3.49Å; K189-G191 PolarHBondContact O-N 3.42Å |
| 190 | R | 80.5 | Confident | 82.2 | Confident | 203 Ų | 203 | 109.8 Ų | 109.8 | 77% | 0.766 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | 3.7 | 174.9 | -68.4 | 176.6 | -173.2 | -122.1 | 3.7 | 113.4 | E186 R187 L188 V192 | E186-R190 WeakPolarHBondContact O-CG 3.49Å; E186-R190 PolarHBondContact O-N 3.46Å; E186-R190 VanDerWaalsContact O-N 3.09Å; R187-R190 PolarHBondContact O-N 3.36Å; L188-R190 PolarHBondContact O-N 3.45Å; R190-V192 HydrophobicContact CB-CG2 4.36Å; R190-V192 PolarHBondContact O-N 2.94Å |
| 191 | G | 77.4 | Confident | 82.7 | Confident | 62 Ų | 62 | 108 Ų | 108 | 64% | 0.639 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 13.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R187 L188 K189 K193 | R187-G191 PolarHBondContact O-N 2.86Å; L188-G191 PolarHBondContact O-N 2.98Å; K189-G191 PolarHBondContact O-N 3.42Å; G191-K193 PolarHBondContact O-N 3.03Å |
| 192 | V | 80.7 | Confident | 83.2 | Confident | 72 Ų | 72 | 109.8 Ų | 109.8 | 44% | 0.436 | 52% | 0.521 | S | S | . | . | trans | -79.9 | 104.6 | 177.1 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | R187 R190 T194 | R187-V192 PolarHBondContact O-N 3.31Å; R190-V192 HydrophobicContact CB-CG2 4.36Å; R190-V192 PolarHBondContact O-N 2.94Å; V192-T194 PolarHBondContact O-N 3.03Å | ||
| 193 | K | 81.6 | Confident | 83.4 | Confident | 107 Ų | 107 | 111.6 Ų | 111.6 | 47% | 0.465 | 53% | 0.529 | S | S | . | . | trans | -57 | 138.1 | 178.8 | -62.2 | -170.7 | -174.2 | -168.9 | 0 | 111.1 | G191 E197 V198 E201 | G191-K193 PolarHBondContact O-N 3.03Å; K193-E197 WeakPolarHBondContact CA-OE2 3.36Å; K193-V198 HydrophobicContact CB-CG2 3.97Å; K193-V198 HydrophobicContact CD-CG2 4.33Å; K193-E201 IonicContact NZ-OE1 3.31Å; K193-E201 PolarHBondContact NZ-OE1 2.63Å; K193-E201 IonicContact NZ-OE2 2.69Å; K193-E201 PolarHBondContact NZ-OE2 3.45Å | ||
| 194 | T | 80.4 | Confident | 83.9 | Confident | 53 Ų | 53 | 106.6 Ų | 106.6 | 33% | 0.325 | 51% | 0.514 | S | S | . | . | trans | -78.4 | 150.5 | 175.6 | -55.2 | 0 | 0 | 0 | 0 | 109.3 | V192 S196 E197 V198 | V192-T194 PolarHBondContact O-N 3.03Å; T194-S196 WeakPolarHBondContact CG2-OG 3.3Å; T194-S196 PolarHBondContact O-N 3.31Å; T194-S196 VanDerWaalsContact O-N 3.12Å; T194-E197 PolarHBondContact N-OE2 3.36Å; T194-E197 WeakPolarHBondContact O-CA 3.43Å; T194-E197 VanDerWaalsContact O-CB 3.26Å; T194-E197 WeakPolarHBondContact O-CB 3.41Å; T194-E197 PolarHBondContact O-N 3.25Å; T194-V198 PolarHBondContact O-N 2.94Å | ||
| 195 | R | 80.7 | Confident | 84.4 | Confident | 224 Ų | 224 | 106.1 Ų | 106.1 | 85% | 0.845 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -51.2 | -38 | 177.4 | -178.4 | 178.1 | 175 | -179.1 | -0.4 | 112.7 | E197 E199 | R195-E197 VanDerWaalsContact C-N 3.33Å; R195-E197 PolarHBondContact O-N 3.4Å; R195-E199 PolarHBondContact O-N 3.07Å |
| 196 | S | 78.7 | Confident | 84.9 | Confident | 70 Ų | 70 | 110.7 Ų | 110.7 | 49% | 0.49 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.1 | -31.5 | 175.7 | 51.7 | 0 | 0 | 0 | 0 | 113.7 | T194 R200 | T194-S196 WeakPolarHBondContact CG2-OG 3.3Å; T194-S196 PolarHBondContact O-N 3.31Å; T194-S196 VanDerWaalsContact O-N 3.12Å; S196-R200 WeakPolarHBondContact O-CG 3.38Å; S196-R200 PolarHBondContact O-N 3.46Å; S196-R200 VanDerWaalsContact O-N 3.07Å |
| 197 | E | 85.2 | Confident | 85.3 | Confident | 81 Ų | 81 | 109.2 Ų | 109.2 | 38% | 0.379 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -72.4 | -43.9 | 178.3 | -169 | 170.7 | -158.1 | 0 | 0 | 110.6 | K193 T194 R195 E199 R200 E201 | K193-E197 WeakPolarHBondContact CA-OE2 3.36Å; T194-E197 PolarHBondContact N-OE2 3.36Å; T194-E197 WeakPolarHBondContact O-CA 3.43Å; T194-E197 VanDerWaalsContact O-CB 3.26Å; T194-E197 WeakPolarHBondContact O-CB 3.41Å; T194-E197 PolarHBondContact O-N 3.25Å; R195-E197 VanDerWaalsContact C-N 3.33Å; R195-E197 PolarHBondContact O-N 3.4Å; E197-E199 VanDerWaalsContact C-N 3.31Å; E197-E199 PolarHBondContact O-N 3.13Å; E197-R200 WeakPolarHBondContact O-CB 3.45Å; E197-R200 PolarHBondContact O-N 3.29Å; E197-E201 WeakPolarHBondContact O-CG 3.3Å; E197-E201 PolarHBondContact O-N 2.66Å |
| 198 | V | 87.6 | Confident | 85.8 | Confident | 58 Ų | 58 | 107.9 Ų | 107.9 | 35% | 0.352 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -36.2 | 174.1 | 177.4 | 0 | 0 | 0 | 0 | 111.9 | K193 T194 E201 N202 | K193-V198 HydrophobicContact CB-CG2 3.97Å; K193-V198 HydrophobicContact CD-CG2 4.33Å; T194-V198 PolarHBondContact O-N 2.94Å; V198-E201 PolarHBondContact O-N 2.9Å; V198-N202 PolarHBondContact O-N 2.95Å; V198-N202 PolarHBondContact O-ND2 3.43Å |
| 199 | E | 88.6 | Confident | 86.5 | Confident | 126 Ų | 126 | 108.6 Ų | 108.6 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.1 | -39.6 | 174.4 | -172.2 | 173.5 | -169.2 | 0 | 0 | 111.7 | R195 E197 N202 M203 | R195-E199 PolarHBondContact O-N 3.07Å; E197-E199 VanDerWaalsContact C-N 3.31Å; E197-E199 PolarHBondContact O-N 3.13Å; E199-N202 PolarHBondContact O-N 2.97Å; E199-M203 WeakPolarHBondContact O-CG 3.46Å; E199-M203 PolarHBondContact O-N 3.39Å |
| 200 | R | 87.6 | Confident | 86.9 | Confident | 166 Ų | 166 | 105.6 Ų | 105.6 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63 | -43.5 | 172.8 | -76.8 | -167.8 | 66 | 68.4 | 10.3 | 112.3 | S196 E197 M203 E204 | S196-R200 WeakPolarHBondContact O-CG 3.38Å; S196-R200 PolarHBondContact O-N 3.46Å; S196-R200 VanDerWaalsContact O-N 3.07Å; E197-R200 WeakPolarHBondContact O-CB 3.45Å; E197-R200 PolarHBondContact O-N 3.29Å; R200-M203 PolarHBondContact O-N 2.86Å; R200-E204 PolarHBondContact O-N 2.93Å |
| 201 | E | 91.3 | Very high | 87.4 | Confident | 78 Ų | 78 | 99.5 Ų | 99.5 | 36% | 0.364 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 177.6 | -71.8 | 177.1 | 175.4 | 0 | 0 | 111.6 | K193 E197 V198 M203 E204 L205 | K193-E201 IonicContact NZ-OE1 3.31Å; K193-E201 PolarHBondContact NZ-OE1 2.63Å; K193-E201 IonicContact NZ-OE2 2.69Å; K193-E201 PolarHBondContact NZ-OE2 3.45Å; E197-E201 WeakPolarHBondContact O-CG 3.3Å; E197-E201 PolarHBondContact O-N 2.66Å; V198-E201 PolarHBondContact O-N 2.9Å; E201-M203 PolarHBondContact O-N 2.89Å; E201-E204 PolarHBondContact O-N 2.98Å; E201-L205 WeakPolarHBondContact O-CG 3.3Å; E201-L205 PolarHBondContact O-N 2.81Å |
| 202 | N | 92.4 | Very high | 87.8 | Confident | 84 Ų | 84 | 102 Ų | 102 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.1 | -37.3 | 176.1 | -83.3 | -55.8 | 0 | 0 | 0 | 113.3 | V198 E199 E204 L205 K206 | V198-N202 PolarHBondContact O-N 2.95Å; V198-N202 PolarHBondContact O-ND2 3.43Å; E199-N202 PolarHBondContact O-N 2.97Å; N202-E204 VanDerWaalsContact C-N 3.32Å; N202-L205 PolarHBondContact O-N 3.23Å; N202-K206 WeakPolarHBondContact O-CG 3.43Å; N202-K206 PolarHBondContact O-N 3.47Å |
| 203 | M | 90.2 | Very high | 87.9 | Confident | 117 Ų | 117 | 101.9 Ų | 101.9 | 58% | 0.576 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.4 | -38 | 174.7 | -73.9 | -61.8 | -63.1 | 0 | 0 | 111.6 | E199 R200 E201 K206 R207 | E199-M203 WeakPolarHBondContact O-CG 3.46Å; E199-M203 PolarHBondContact O-N 3.39Å; R200-M203 PolarHBondContact O-N 2.86Å; E201-M203 PolarHBondContact O-N 2.89Å; M203-K206 PolarHBondContact O-N 3.11Å; M203-R207 WeakPolarHBondContact O-CB 3.32Å; M203-R207 PolarHBondContact O-N 2.88Å |
| 204 | E | 93.1 | Very high | 88 | Confident | 77 Ų | 77 | 101.7 Ų | 101.7 | 36% | 0.36 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 175.6 | -165.9 | 63.6 | -139.3 | 0 | 0 | 111.6 | R200 E201 N202 K206 R207 Q208 | R200-E204 PolarHBondContact O-N 2.93Å; E201-E204 PolarHBondContact O-N 2.98Å; N202-E204 VanDerWaalsContact C-N 3.32Å; E204-K206 VanDerWaalsContact C-N 3.34Å; E204-K206 PolarHBondContact O-N 3.32Å; E204-R207 WeakPolarHBondContact O-CB 3.48Å; E204-R207 PolarHBondContact O-N 3.23Å; E204-Q208 WeakPolarHBondContact O-CG 3.36Å; E204-Q208 PolarHBondContact O-N 2.65Å |
| 205 | L | 93.3 | Very high | 87.8 | Confident | 94 Ų | 94 | 104 Ų | 104 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 176.3 | -72.7 | 171.1 | 0 | 0 | 0 | 112.6 | E201 N202 R207 Q208 L209 | E201-L205 WeakPolarHBondContact O-CG 3.3Å; E201-L205 PolarHBondContact O-N 2.81Å; N202-L205 PolarHBondContact O-N 3.23Å; L205-R207 VanDerWaalsContact C-N 3.32Å; L205-Q208 PolarHBondContact O-N 3.07Å; L205-L209 PolarHBondContact O-N 3.06Å |
| 206 | K | 92.9 | Very high | 87.7 | Confident | 136 Ų | 136 | 100.7 Ų | 100.7 | 59% | 0.591 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.3 | -41.3 | 174.2 | -76.1 | 178 | 179.7 | -179.5 | 0 | 111.8 | N202 M203 E204 L209 E210 | N202-K206 WeakPolarHBondContact O-CG 3.43Å; N202-K206 PolarHBondContact O-N 3.47Å; M203-K206 PolarHBondContact O-N 3.11Å; E204-K206 VanDerWaalsContact C-N 3.34Å; E204-K206 PolarHBondContact O-N 3.32Å; K206-L209 WeakPolarHBondContact O-CB 3.36Å; K206-L209 PolarHBondContact O-N 2.92Å; K206-E210 PolarHBondContact O-N 3.37Å |
| 207 | R | 91.7 | Very high | 87.9 | Confident | 81 Ų | 81 | 104.3 Ų | 104.3 | 31% | 0.306 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 177.3 | -174 | -175 | 167.6 | -159.7 | -11.1 | 111.7 | M203 E204 L205 L209 E210 E211 N510 | M203-R207 WeakPolarHBondContact O-CB 3.32Å; M203-R207 PolarHBondContact O-N 2.88Å; E204-R207 WeakPolarHBondContact O-CB 3.48Å; E204-R207 PolarHBondContact O-N 3.23Å; L205-R207 VanDerWaalsContact C-N 3.32Å; R207-L209 VanDerWaalsContact C-N 3.33Å; R207-L209 PolarHBondContact O-N 3.48Å; R207-E210 WeakPolarHBondContact O-CB 3.35Å; R207-E210 PolarHBondContact O-N 3.14Å; R207-E211 IonicContact CZ-OE1 2.87Å; R207-E211 IonicContact NE-OE1 3.22Å; R207-E211 PolarHBondContact NE-OE1 3.07Å; R207-E211 IonicContact NH2-OE1 3.22Å; R207-E211 PolarHBondContact NH2-OE1 3.31Å; R207-E211 WeakPolarHBondContact O-CG 3.42Å; R207-E211 PolarHBondContact O-N 3.44Å; R207-N510 PolarHBondContact NH1-OD1 3.25Å; R207-N510 PolarHBondContact NH2-ND2 3.31Å; R207-N510 PolarHBondContact NH2-OD1 3.39Å |
| 208 | Q | 90.9 | Very high | 87.7 | Confident | 95 Ų | 95 | 107.5 Ų | 107.5 | 44% | 0.444 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 176.1 | -71 | 176.3 | -3.1 | 0 | 0 | 112.3 | E204 L205 L212 | E204-Q208 WeakPolarHBondContact O-CG 3.36Å; E204-Q208 PolarHBondContact O-N 2.65Å; L205-Q208 PolarHBondContact O-N 3.07Å; Q208-L212 WeakPolarHBondContact O-CG 3.47Å; Q208-L212 PolarHBondContact O-N 3.28Å |
| 209 | L | 91.4 | Very high | 87.2 | Confident | 115 Ų | 115 | 114 Ų | 114 | 60% | 0.602 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.1 | -45.3 | 172.6 | -91.2 | 153.3 | 0 | 0 | 0 | 111.5 | L205 K206 R207 L212 T213 | L205-L209 PolarHBondContact O-N 3.06Å; K206-L209 WeakPolarHBondContact O-CB 3.36Å; K206-L209 PolarHBondContact O-N 2.92Å; R207-L209 VanDerWaalsContact C-N 3.33Å; R207-L209 PolarHBondContact O-N 3.48Å; L209-L212 PolarHBondContact O-N 3.07Å; L209-T213 VanDerWaalsContact O-CG2 3.28Å; L209-T213 WeakPolarHBondContact O-CG2 3.47Å; L209-T213 PolarHBondContact O-N 2.91Å |
| 210 | E | 89.1 | Confident | 86.8 | Confident | 118 Ų | 118 | 117.9 Ų | 117.9 | 55% | 0.551 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62 | -47.8 | 177.1 | -170.9 | 168.7 | -153.8 | 0 | 0 | 111.5 | K206 R207 L212 T213 E214 | K206-E210 PolarHBondContact O-N 3.37Å; R207-E210 WeakPolarHBondContact O-CB 3.35Å; R207-E210 PolarHBondContact O-N 3.14Å; E210-L212 PolarHBondContact O-N 3.03Å; E210-T213 WeakPolarHBondContact CA-OG1 3.48Å; E210-T213 CarbonylContact O-C 3.55Å; E210-T213 PolarHBondContact O-N 3.49Å; E210-T213 PolarHBondContact O-OG1 3.48Å; E210-E214 WeakPolarHBondContact O-CG 3.34Å; E210-E214 PolarHBondContact O-N 3.23Å |
| 211 | E | 90.3 | Very high | 86.6 | Confident | 75 Ų | 75 | 114 Ų | 114 | 35% | 0.35 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -58.8 | -42.5 | 177.2 | -73.1 | 174.2 | -176.6 | 0 | 0 | 112.1 | R207 T213 E214 C215 | R207-E211 IonicContact CZ-OE1 2.87Å; R207-E211 IonicContact NE-OE1 3.22Å; R207-E211 PolarHBondContact NE-OE1 3.07Å; R207-E211 IonicContact NH2-OE1 3.22Å; R207-E211 PolarHBondContact NH2-OE1 3.31Å; R207-E211 WeakPolarHBondContact O-CG 3.42Å; R207-E211 PolarHBondContact O-N 3.44Å; E211-T213 VanDerWaalsContact C-N 3.35Å; E211-T213 PolarHBondContact O-N 3.18Å; E211-E214 PolarHBondContact O-N 2.96Å; E211-C215 PolarHBondContact O-N 2.93Å; E211-C215 PolarHBondContact O-SG 3.34Å |
| 212 | L | 86.6 | Confident | 86.1 | Confident | 114 Ų | 114 | 115.2 Ų | 115.2 | 60% | 0.597 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.4 | -37.9 | 174.7 | -73.3 | 175.9 | 0 | 0 | 0 | 112.5 | Q208 L209 E210 E214 C215 Q216 | Q208-L212 WeakPolarHBondContact O-CG 3.47Å; Q208-L212 PolarHBondContact O-N 3.28Å; L209-L212 PolarHBondContact O-N 3.07Å; E210-L212 PolarHBondContact O-N 3.03Å; L212-E214 VanDerWaalsContact C-N 3.32Å; L212-C215 PolarHBondContact O-N 3.42Å; L212-Q216 WeakPolarHBondContact O-CG 3.47Å; L212-Q216 PolarHBondContact O-N 3.49Å |
| 213 | T | 82.3 | Confident | 85.8 | Confident | 71 Ų | 71 | 116.8 Ų | 116.8 | 44% | 0.436 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -70 | -30 | 175 | 64.6 | 0 | 0 | 0 | 0 | 112.5 | L209 E210 E211 | L209-T213 VanDerWaalsContact O-CG2 3.28Å; L209-T213 WeakPolarHBondContact O-CG2 3.47Å; L209-T213 PolarHBondContact O-N 2.91Å; E210-T213 WeakPolarHBondContact CA-OG1 3.48Å; E210-T213 CarbonylContact O-C 3.55Å; E210-T213 PolarHBondContact O-N 3.49Å; E210-T213 PolarHBondContact O-OG1 3.48Å; E211-T213 VanDerWaalsContact C-N 3.35Å; E211-T213 PolarHBondContact O-N 3.18Å |
| 214 | E | 84.4 | Confident | 85.4 | Confident | 103 Ų | 103 | 115.2 Ų | 115.2 | 48% | 0.481 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -73.1 | -38.2 | 174.3 | -72.3 | -176.8 | 164.2 | 0 | 0 | 112 | E210 E211 L212 Q216 K217 | E210-E214 WeakPolarHBondContact O-CG 3.34Å; E210-E214 PolarHBondContact O-N 3.23Å; E211-E214 PolarHBondContact O-N 2.96Å; L212-E214 VanDerWaalsContact C-N 3.32Å; E214-Q216 PolarHBondContact O-N 2.89Å; E214-K217 VanDerWaalsContact O-CB 3.32Å; E214-K217 WeakPolarHBondContact O-CB 3.46Å; E214-K217 PolarHBondContact O-N 3.19Å |
| 215 | C | 76.8 | Confident | 85.1 | Confident | 101 Ų | 101 | 114.9 Ų | 114.9 | 68% | 0.682 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.5 | -26.3 | 176.4 | -68.3 | 0 | 0 | 0 | 0 | 113.3 | E211 L212 K217 | E211-C215 PolarHBondContact O-N 2.93Å; E211-C215 PolarHBondContact O-SG 3.34Å; L212-C215 PolarHBondContact O-N 3.42Å; C215-K217 VanDerWaalsContact C-N 3.27Å |
| 216 | Q | 77.3 | Confident | 84.4 | Confident | 154 Ų | 154 | 113.9 Ų | 113.9 | 72% | 0.72 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -16 | 173.9 | -69.6 | 177.9 | 8.9 | 0 | 0 | 113 | L212 E214 Q218 | L212-Q216 WeakPolarHBondContact O-CG 3.47Å; L212-Q216 PolarHBondContact O-N 3.49Å; E214-Q216 PolarHBondContact O-N 2.89Å; Q216-Q218 PolarHBondContact O-N 3.41Å |
| 217 | K | 82.9 | Confident | 83.7 | Confident | 146 Ų | 146 | 113.2 Ų | 113.2 | 64% | 0.635 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -79 | 111.7 | 177.2 | -63.2 | 173.5 | -173.6 | 166.2 | 0 | 109.4 | E214 C215 | E214-K217 VanDerWaalsContact O-CB 3.32Å; E214-K217 WeakPolarHBondContact O-CB 3.46Å; E214-K217 PolarHBondContact O-N 3.19Å; C215-K217 VanDerWaalsContact C-N 3.27Å |
| 218 | Q | 81.3 | Confident | 83.4 | Confident | 149 Ų | 149 | 113.6 Ų | 113.6 | 70% | 0.696 | 60% | 0.604 | S | S | * | * | trans | -66.3 | 135.4 | 171 | -60.2 | -59.4 | -48.3 | 0 | 0 | 109.7 | Q216 R220 | Q216-Q218 PolarHBondContact O-N 3.41Å; Q218-R220 PolarHBondContact O-N 3.02Å; Q218-R220 VanDerWaalsContact O-N 3.08Å | ||
| 219 | F | 76.8 | Confident | 82.8 | Confident | 193 Ų | 193 | 115.8 Ų | 115.8 | 85% | 0.846 | 61% | 0.614 | S | S | * | * | trans | -58.7 | 115.4 | -179.8 | -179.5 | -100.6 | 0 | 0 | 0 | 110.6 | ||||
| 220 | R | 80.9 | Confident | 82.4 | Confident | 208 Ų | 208 | 114.9 Ų | 114.9 | 79% | 0.785 | 61% | 0.609 | S | S | * | * | trans | -125.2 | 136.3 | 169.5 | -62.5 | -62.3 | -178.5 | -155.9 | 1 | 106.8 | Q218 S222 | Q218-R220 PolarHBondContact O-N 3.02Å; Q218-R220 VanDerWaalsContact O-N 3.08Å; R220-S222 PolarHBondContact O-N 3.41Å | ||
| 221 | A | 83 | Confident | 81.9 | Confident | 86 Ų | 86 | 113 Ų | 113 | 71% | 0.711 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 128.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 222 | S | 81.8 | Confident | 81.5 | Confident | 103 Ų | 103 | 112.6 Ų | 112.6 | 72% | 0.72 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 130.2 | 169.3 | 56.7 | 0 | 0 | 0 | 0 | 107.9 | R220 | R220-S222 PolarHBondContact O-N 3.41Š|
| 223 | P | 85.6 | Confident | 81.3 | Confident | 116 Ų | 116 | 114.9 Ų | 114.9 | 75% | 0.753 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -56 | 149.3 | 176.6 | 25.6 | -34.2 | 0 | 0 | 0 | 109.6 | ||
| 224 | V | 81.3 | Confident | 81.5 | Confident | 85 Ų | 85 | 117.5 Ų | 117.5 | 52% | 0.515 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -53.2 | 129.5 | 179.1 | 179.6 | 0 | 0 | 0 | 0 | 108.4 | A226 V228 | V224-A226 PolarHBondContact O-N 2.93Å; V224-V228 HydrophobicContact CG1-CB 3.7Å; V224-V228 HydrophobicContact CG1-CG1 3.87Å; V224-V228 HydrophobicContact CG1-CG2 3.84Å |
| 225 | P | 87.9 | Confident | 81.5 | Confident | 70 Ų | 70 | 116.2 Ų | 116.2 | 46% | 0.455 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -51.1 | 134.1 | -179.7 | -31.3 | 37.2 | 0 | 0 | 0 | 112.2 | H227 V228 | P225-H227 WeakPolarHBondContact CB-CE1 3.39Å; P225-H227 WeakPolarHBondContact CB-ND1 3.33Å; P225-H227 PolarHBondContact O-N 3.4Å; P225-V228 HydrophobicContact CB-CG2 4.49Å; P225-V228 WeakPolarHBondContact O-CB 3.41Å; P225-V228 WeakPolarHBondContact O-CG2 3.46Å; P225-V228 PolarHBondContact O-N 2.98Å |
| 226 | A | 77.7 | Confident | 81.9 | Confident | 72 Ų | 72 | 116.2 Ų | 116.2 | 60% | 0.595 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -55.1 | -29.3 | -173 | 0 | 0 | 0 | 0 | 0 | 114.1 | V224 V228 H229 L230 | V224-A226 PolarHBondContact O-N 2.93Å; A226-V228 PolarHBondContact O-N 3.45Å; A226-H229 PolarHBondContact O-N 3.09Å; A226-L230 PolarHBondContact O-N 3.37Å |
| 227 | H | 78.7 | Confident | 82.2 | Confident | 122 Ų | 122 | 111.7 Ų | 111.7 | 57% | 0.565 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -64 | -18.8 | 178.2 | 72.2 | -91.4 | 0 | 0 | 0 | 114.2 | P225 H229 | P225-H227 WeakPolarHBondContact CB-CE1 3.39Å; P225-H227 WeakPolarHBondContact CB-ND1 3.33Å; P225-H227 PolarHBondContact O-N 3.4Å; H227-H229 VanDerWaalsContact C-N 3.32Å |
| 228 | V | 83.9 | Confident | 82.6 | Confident | 90 Ų | 90 | 110.3 Ų | 110.3 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | G | 310 helix | trans | -74.9 | -26.3 | 173.9 | -178.7 | 0 | 0 | 0 | 0 | 111 | V224 P225 A226 | V224-V228 HydrophobicContact CG1-CB 3.7Å; V224-V228 HydrophobicContact CG1-CG1 3.87Å; V224-V228 HydrophobicContact CG1-CG2 3.84Å; P225-V228 HydrophobicContact CB-CG2 4.49Å; P225-V228 WeakPolarHBondContact O-CB 3.41Å; P225-V228 WeakPolarHBondContact O-CG2 3.46Å; P225-V228 PolarHBondContact O-N 2.98Å; A226-V228 PolarHBondContact O-N 3.45Å |
| 229 | H | 79.6 | Confident | 83 | Confident | 140 Ų | 140 | 109.5 Ų | 109.5 | 65% | 0.648 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -9.5 | 176.9 | -62.7 | -65.5 | 0 | 0 | 0 | 113.3 | A226 H227 | A226-H229 PolarHBondContact O-N 3.09Å; H227-H229 VanDerWaalsContact C-N 3.32Å |
| 230 | L | 81.6 | Confident | 83.5 | Confident | 96 Ų | 96 | 103.3 Ų | 103.3 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -93.3 | 132.9 | -180 | -64.4 | 176.7 | 0 | 0 | 0 | 110.8 | A226 V232 | A226-L230 PolarHBondContact O-N 3.37Å; L230-V232 HydrophobicContact CB-CG2 4.33Å; L230-V232 PolarHBondContact O-N 2.91Å |
| 231 | P | 80.3 | Confident | 84 | Confident | 80 Ų | 80 | 98.4 Ų | 98.4 | 52% | 0.519 | 53% | 0.529 | S | S | . | . | trans | -74.1 | 69.2 | 174.1 | 28.7 | -31.6 | 0 | 0 | 0 | 111.6 | Y233 E234 | P231-Y233 PolarHBondContact O-N 3.45Å; P231-E234 PolarHBondContact O-N 3.02Å | ||
| 232 | V | 81.3 | Confident | 84.5 | Confident | 65 Ų | 65 | 100.3 Ų | 100.3 | 39% | 0.394 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -54.8 | -27.4 | -175.9 | 176.2 | 0 | 0 | 0 | 0 | 113.3 | L230 E234 M236 | L230-V232 HydrophobicContact CB-CG2 4.33Å; L230-V232 PolarHBondContact O-N 2.91Å; V232-E234 VanDerWaalsContact C-N 3.35Å; V232-E234 PolarHBondContact O-N 3.07Å; V232-M236 WeakPolarHBondContact O-CB 3.28Å; V232-M236 PolarHBondContact O-N 2.87Å |
| 233 | Y | 83.1 | Confident | 84.9 | Confident | 162 Ų | 162 | 101.3 Ų | 101.3 | 64% | 0.635 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.8 | -39.3 | 177.9 | -178.1 | -103.2 | 0 | 0 | 0 | 112.7 | P231 M236 Q237 | P231-Y233 PolarHBondContact O-N 3.45Å; Y233-M236 PolarHBondContact O-N 2.89Å; Y233-Q237 HydrophobicContact CD1-CG 4.29Å; Y233-Q237 HydrophobicContact CE1-CG 3.91Å; Y233-Q237 HydrophobicContact CE2-CG 4.37Å; Y233-Q237 WeakPolarHBondContact O-CB 3.36Å; Y233-Q237 VanDerWaalsContact O-CG 3.29Å; Y233-Q237 WeakPolarHBondContact O-CG 3.48Å; Y233-Q237 PolarHBondContact O-N 3.22Å; Y233-Q237 PolarHBondContact OH-NE2 3.35Å |
| 234 | E | 84.5 | Confident | 85.2 | Confident | 126 Ų | 126 | 101.8 Ų | 101.8 | 59% | 0.589 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.9 | -45.3 | -179.4 | -67.8 | -178.1 | 169.5 | 0 | 0 | 110.8 | P231 V232 M236 Q237 E238 | P231-E234 PolarHBondContact O-N 3.02Å; V232-E234 VanDerWaalsContact C-N 3.35Å; V232-E234 PolarHBondContact O-N 3.07Å; E234-M236 VanDerWaalsContact C-N 3.3Å; E234-M236 PolarHBondContact O-N 3.48Å; E234-Q237 WeakPolarHBondContact O-CB 3.27Å; E234-Q237 PolarHBondContact O-N 2.87Å; E234-Q237 VanDerWaalsContact O-N 3.14Å; E234-E238 WeakPolarHBondContact O-CG 3.49Å; E234-E238 PolarHBondContact O-N 3.16Å |
| 235 | E | 86.2 | Confident | 85.8 | Confident | 76 Ų | 76 | 105.5 Ų | 105.5 | 36% | 0.355 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 175.1 | -61.3 | -173 | -177.6 | 0 | 0 | 112.4 | Q237 E238 R239 | E235-Q237 VanDerWaalsContact C-N 3.34Å; E235-E238 PolarHBondContact O-N 3.04Å; E235-R239 WeakPolarHBondContact O-CB 3.32Å; E235-R239 VanDerWaalsContact O-CG 3.25Å; E235-R239 WeakPolarHBondContact O-CG 3.48Å; E235-R239 PolarHBondContact O-N 3.43Å; E235-R239 IonicContact OE2-CZ 2.78Å; E235-R239 VanDerWaalsContact OE2-CZ 3.31Å; E235-R239 IonicContact OE2-NH1 3.76Å; E235-R239 PolarHBondContact OE2-NH1 2.88Å; E235-R239 IonicContact OE2-NH2 2.96Å; E235-R239 PolarHBondContact OE2-NH2 3.36Å |
| 236 | M | 84.3 | Confident | 86 | Confident | 101 Ų | 101 | 105.7 Ų | 105.7 | 50% | 0.498 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 176.1 | -169.6 | -169.7 | -58.8 | 0 | 0 | 111 | V232 Y233 E234 N240 | V232-M236 WeakPolarHBondContact O-CB 3.28Å; V232-M236 PolarHBondContact O-N 2.87Å; Y233-M236 PolarHBondContact O-N 2.89Å; E234-M236 VanDerWaalsContact C-N 3.3Å; E234-M236 PolarHBondContact O-N 3.48Å; M236-N240 WeakPolarHBondContact O-CB 3.46Å; M236-N240 PolarHBondContact O-N 3.27Å; M236-N240 PolarHBondContact O-ND2 3.01Å |
| 237 | Q | 84.4 | Confident | 86.7 | Confident | 59 Ų | 59 | 107.3 Ų | 107.3 | 28% | 0.276 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 176.1 | -75 | -72.9 | 14.1 | 0 | 0 | 112.1 | Y233 E234 E235 N240 K241 | Y233-Q237 HydrophobicContact CD1-CG 4.29Å; Y233-Q237 HydrophobicContact CE1-CG 3.91Å; Y233-Q237 HydrophobicContact CE2-CG 4.37Å; Y233-Q237 WeakPolarHBondContact O-CB 3.36Å; Y233-Q237 VanDerWaalsContact O-CG 3.29Å; Y233-Q237 WeakPolarHBondContact O-CG 3.48Å; Y233-Q237 PolarHBondContact O-N 3.22Å; Y233-Q237 PolarHBondContact OH-NE2 3.35Å; E234-Q237 WeakPolarHBondContact O-CB 3.27Å; E234-Q237 PolarHBondContact O-N 2.87Å; E234-Q237 VanDerWaalsContact O-N 3.14Å; E235-Q237 VanDerWaalsContact C-N 3.34Å; Q237-N240 PolarHBondContact O-N 2.92Å; Q237-K241 WeakPolarHBondContact O-CB 3.44Å; Q237-K241 WeakPolarHBondContact O-CG 3.17Å; Q237-K241 PolarHBondContact O-N 3.41Å |
| 238 | E | 90.2 | Very high | 87.4 | Confident | 117 Ų | 117 | 108 Ų | 108 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.1 | -48.8 | 175.3 | -72.1 | -172.5 | 161.5 | 0 | 0 | 111.9 | E234 E235 N240 K241 E242 | E234-E238 WeakPolarHBondContact O-CG 3.49Å; E234-E238 PolarHBondContact O-N 3.16Å; E235-E238 PolarHBondContact O-N 3.04Å; E238-N240 VanDerWaalsContact C-N 3.28Å; E238-N240 PolarHBondContact O-N 3.25Å; E238-K241 CarbonylContact O-C 3.58Å; E238-K241 WeakPolarHBondContact O-CA 3.44Å; E238-K241 WeakPolarHBondContact O-CB 3.36Å; E238-K241 PolarHBondContact O-N 3.41Å; E238-E242 WeakPolarHBondContact O-CG 3.37Å; E238-E242 PolarHBondContact O-N 3.16Å |
| 239 | R | 89.9 | Confident | 87.8 | Confident | 132 Ų | 132 | 107.2 Ų | 107.2 | 50% | 0.498 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.6 | -42.2 | 174.4 | -71.7 | 173.9 | -173.1 | 120.6 | 6.4 | 111.8 | E235 K241 E242 Q243 | E235-R239 WeakPolarHBondContact O-CB 3.32Å; E235-R239 VanDerWaalsContact O-CG 3.25Å; E235-R239 WeakPolarHBondContact O-CG 3.48Å; E235-R239 PolarHBondContact O-N 3.43Å; E235-R239 IonicContact OE2-CZ 2.78Å; E235-R239 VanDerWaalsContact OE2-CZ 3.31Å; E235-R239 IonicContact OE2-NH1 3.76Å; E235-R239 PolarHBondContact OE2-NH1 2.88Å; E235-R239 IonicContact OE2-NH2 2.96Å; E235-R239 PolarHBondContact OE2-NH2 3.36Å; R239-K241 PolarHBondContact O-N 3.35Å; R239-E242 PolarHBondContact O-N 2.95Å; R239-Q243 WeakPolarHBondContact O-CB 3.36Å; R239-Q243 VanDerWaalsContact O-CG 3.3Å; R239-Q243 WeakPolarHBondContact O-CG 3.33Å; R239-Q243 PolarHBondContact O-N 3.34Å |
| 240 | N | 86.6 | Confident | 88.4 | Confident | 64 Ų | 64 | 109.4 Ų | 109.4 | 34% | 0.342 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.4 | -31.6 | 175.8 | -75 | -20.4 | 0 | 0 | 0 | 113.1 | M236 Q237 E238 R244 | M236-N240 WeakPolarHBondContact O-CB 3.46Å; M236-N240 PolarHBondContact O-N 3.27Å; M236-N240 PolarHBondContact O-ND2 3.01Å; Q237-N240 PolarHBondContact O-N 2.92Å; E238-N240 VanDerWaalsContact C-N 3.28Å; E238-N240 PolarHBondContact O-N 3.25Å; N240-R244 WeakPolarHBondContact O-CB 3.48Å; N240-R244 VanDerWaalsContact O-CG 3.28Å; N240-R244 WeakPolarHBondContact O-CG 3.3Å; N240-R244 PolarHBondContact O-N 2.93Å; N240-R244 PolarHBondContact O-NE 3.24Å |
| 241 | K | 91.8 | Very high | 88.9 | Confident | 104 Ų | 104 | 110.1 Ų | 110.1 | 45% | 0.452 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.9 | -41.3 | 173.2 | -74.2 | 165.5 | -173.5 | 171.7 | 0 | 110.6 | Q237 E238 R239 R244 R245 | Q237-K241 WeakPolarHBondContact O-CB 3.44Å; Q237-K241 WeakPolarHBondContact O-CG 3.17Å; Q237-K241 PolarHBondContact O-N 3.41Å; E238-K241 CarbonylContact O-C 3.58Å; E238-K241 WeakPolarHBondContact O-CA 3.44Å; E238-K241 WeakPolarHBondContact O-CB 3.36Å; E238-K241 PolarHBondContact O-N 3.41Å; R239-K241 PolarHBondContact O-N 3.35Å; K241-R244 PolarHBondContact O-N 2.99Å; K241-R245 VanDerWaalsContact O-CG 3.32Å; K241-R245 WeakPolarHBondContact O-CG 3.37Å; K241-R245 PolarHBondContact O-N 2.83Å |
| 242 | E | 93.7 | Very high | 89.4 | Confident | 127 Ų | 127 | 109.4 Ų | 109.4 | 59% | 0.593 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.5 | -44.7 | 176.7 | -72.8 | -179.5 | 168.7 | 0 | 0 | 112.1 | E238 R239 R244 R245 S246 | E238-E242 WeakPolarHBondContact O-CG 3.37Å; E238-E242 PolarHBondContact O-N 3.16Å; R239-E242 PolarHBondContact O-N 2.95Å; E242-R244 VanDerWaalsContact C-N 3.32Å; E242-R244 PolarHBondContact O-N 3.36Å; E242-R245 PolarHBondContact O-N 2.87Å; E242-R245 VanDerWaalsContact O-N 3.14Å; E242-S246 WeakPolarHBondContact O-CB 3.38Å; E242-S246 PolarHBondContact O-N 2.98Å |
| 243 | Q | 89.6 | Confident | 89.8 | Confident | 124 Ų | 124 | 113.8 Ų | 113.8 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.2 | -45.5 | 173.5 | -75.3 | 179.4 | 0.3 | 0 | 0 | 111.4 | R239 R245 S246 M247 | R239-Q243 WeakPolarHBondContact O-CB 3.36Å; R239-Q243 VanDerWaalsContact O-CG 3.3Å; R239-Q243 WeakPolarHBondContact O-CG 3.33Å; R239-Q243 PolarHBondContact O-N 3.34Å; Q243-R245 VanDerWaalsContact C-N 3.33Å; Q243-R245 PolarHBondContact O-N 2.87Å; Q243-S246 PolarHBondContact O-N 3.19Å; Q243-M247 WeakPolarHBondContact O-CB 3.48Å; Q243-M247 VanDerWaalsContact O-CG 3.31Å; Q243-M247 WeakPolarHBondContact O-CG 3.27Å; Q243-M247 PolarHBondContact O-N 3.27Å |
| 244 | R | 92.4 | Very high | 90.1 | Very high | 125 Ų | 125 | 111.4 Ų | 111.4 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.1 | -38.1 | 175.4 | -77.2 | -177.6 | -74.5 | 173.6 | -7.4 | 112.6 | N240 K241 E242 R248 | N240-R244 WeakPolarHBondContact O-CB 3.48Å; N240-R244 VanDerWaalsContact O-CG 3.28Å; N240-R244 WeakPolarHBondContact O-CG 3.3Å; N240-R244 PolarHBondContact O-N 2.93Å; N240-R244 PolarHBondContact O-NE 3.24Å; K241-R244 PolarHBondContact O-N 2.99Å; E242-R244 VanDerWaalsContact C-N 3.32Å; E242-R244 PolarHBondContact O-N 3.36Å; R244-R248 WeakPolarHBondContact O-CG 3.46Å; R244-R248 PolarHBondContact O-N 2.93Å |
| 245 | R | 93.6 | Very high | 90.1 | Very high | 164 Ų | 164 | 110.9 Ų | 110.9 | 62% | 0.619 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.2 | -48.4 | 175.8 | -74.3 | 175.2 | -179.4 | -167.5 | 0.6 | 111.4 | K241 E242 Q243 M247 R248 D249 | K241-R245 VanDerWaalsContact O-CG 3.32Å; K241-R245 WeakPolarHBondContact O-CG 3.37Å; K241-R245 PolarHBondContact O-N 2.83Å; E242-R245 PolarHBondContact O-N 2.87Å; E242-R245 VanDerWaalsContact O-N 3.14Å; Q243-R245 VanDerWaalsContact C-N 3.33Å; Q243-R245 PolarHBondContact O-N 2.87Å; R245-M247 VanDerWaalsContact C-N 3.33Å; R245-M247 PolarHBondContact O-N 3.36Å; R245-R248 PolarHBondContact O-N 3.4Å; R245-D249 VanDerWaalsContact O-CG 3.27Å; R245-D249 PolarHBondContact O-N 3.05Å |
| 246 | S | 93.2 | Very high | 89.9 | Confident | 73 Ų | 73 | 116.3 Ų | 116.3 | 51% | 0.51 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.7 | -41.7 | 178.9 | -177 | 0 | 0 | 0 | 0 | 112.3 | E242 Q243 D249 R250 | E242-S246 WeakPolarHBondContact O-CB 3.38Å; E242-S246 PolarHBondContact O-N 2.98Å; Q243-S246 PolarHBondContact O-N 3.19Å; S246-D249 PolarHBondContact O-N 3.47Å; S246-R250 WeakPolarHBondContact O-CB 3.49Å; S246-R250 PolarHBondContact O-N 3.03Å |
| 247 | M | 91.3 | Very high | 89.9 | Confident | 107 Ų | 107 | 115.5 Ų | 115.5 | 53% | 0.527 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -48.9 | 174.2 | -76.1 | -64.9 | -66.1 | 0 | 0 | 111.9 | Q243 R245 D249 R250 E251 | Q243-M247 WeakPolarHBondContact O-CB 3.48Å; Q243-M247 VanDerWaalsContact O-CG 3.31Å; Q243-M247 WeakPolarHBondContact O-CG 3.27Å; Q243-M247 PolarHBondContact O-N 3.27Å; R245-M247 VanDerWaalsContact C-N 3.33Å; R245-M247 PolarHBondContact O-N 3.36Å; M247-D249 VanDerWaalsContact C-N 3.31Å; M247-D249 PolarHBondContact O-N 3Å; M247-R250 PolarHBondContact O-N 3.45Å; M247-E251 WeakPolarHBondContact O-CB 3.41Å; M247-E251 WeakPolarHBondContact O-CG 3.35Å; M247-E251 PolarHBondContact O-N 3.06Å |
| 248 | R | 93.1 | Very high | 89.9 | Confident | 137 Ų | 137 | 118.2 Ų | 118.2 | 52% | 0.517 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 175.5 | -71 | 179.4 | -148.4 | 132.7 | -0.9 | 111.9 | R244 R245 R250 E251 T252 | R244-R248 WeakPolarHBondContact O-CG 3.46Å; R244-R248 PolarHBondContact O-N 2.93Å; R245-R248 PolarHBondContact O-N 3.4Å; R248-R250 VanDerWaalsContact C-N 3.33Å; R248-R250 PolarHBondContact O-N 3.17Å; R248-E251 PolarHBondContact O-N 3.04Å; R248-T252 WeakPolarHBondContact O-CB 3.48Å; R248-T252 WeakPolarHBondContact O-CG2 3.37Å; R248-T252 PolarHBondContact O-N 3.43Å; R248-T252 PolarHBondContact O-OG1 2.92Å |
| 249 | D | 92.7 | Very high | 89.4 | Confident | 73 Ų | 73 | 117.8 Ų | 117.8 | 39% | 0.39 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.9 | -36.1 | 179.1 | -68.1 | -13.5 | 0 | 0 | 0 | 111.4 | R245 S246 M247 T252 R253 | R245-D249 VanDerWaalsContact O-CG 3.27Å; R245-D249 PolarHBondContact O-N 3.05Å; S246-D249 PolarHBondContact O-N 3.47Å; M247-D249 VanDerWaalsContact C-N 3.31Å; M247-D249 PolarHBondContact O-N 3Å; D249-T252 VanDerWaalsContact CA-OG1 3.28Å; D249-T252 WeakPolarHBondContact CA-OG1 3.3Å; D249-T252 PolarHBondContact O-OG1 3.41Å; D249-R253 VanDerWaalsContact CB-NH1 3.29Å; D249-R253 VanDerWaalsContact O-CB 3.27Å; D249-R253 WeakPolarHBondContact O-CB 3.41Å; D249-R253 WeakPolarHBondContact O-CG 3.4Å; D249-R253 PolarHBondContact O-N 3.21Å |
| 250 | R | 93.3 | Very high | 88.6 | Confident | 185 Ų | 185 | 120.2 Ų | 120.2 | 70% | 0.698 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.7 | -45.3 | 174.6 | -174.6 | 176.1 | 178.9 | 157.2 | 0.6 | 111.5 | S246 M247 R248 R253 H254 | S246-R250 WeakPolarHBondContact O-CB 3.49Å; S246-R250 PolarHBondContact O-N 3.03Å; M247-R250 PolarHBondContact O-N 3.45Å; R248-R250 VanDerWaalsContact C-N 3.33Å; R248-R250 PolarHBondContact O-N 3.17Å; R250-R253 PolarHBondContact O-N 2.85Å; R250-H254 VanDerWaalsContact O-CB 3.31Å; R250-H254 WeakPolarHBondContact O-CB 3.45Å; R250-H254 PolarHBondContact O-N 2.88Å |
| 251 | E | 91 | Very high | 88.1 | Confident | 112 Ų | 112 | 121 Ų | 121 | 52% | 0.523 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.5 | -46 | 176.1 | -75.1 | 173.1 | -174 | 0 | 0 | 111.4 | M247 R248 H254 L255 | M247-E251 WeakPolarHBondContact O-CB 3.41Å; M247-E251 WeakPolarHBondContact O-CG 3.35Å; M247-E251 PolarHBondContact O-N 3.06Å; R248-E251 PolarHBondContact O-N 3.04Å; E251-H254 PolarHBondContact O-N 3.41Å; E251-L255 WeakPolarHBondContact O-CB 3.45Å; E251-L255 VanDerWaalsContact O-CG 3.28Å; E251-L255 WeakPolarHBondContact O-CG 3.3Å; E251-L255 PolarHBondContact O-N 2.85Å |
| 252 | T | 91.3 | Very high | 86.8 | Confident | 65 Ų | 65 | 121.9 Ų | 121.9 | 40% | 0.399 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.3 | -40.3 | 177.4 | 54.7 | 0 | 0 | 0 | 0 | 112.3 | R248 D249 H254 L255 R256 | R248-T252 WeakPolarHBondContact O-CB 3.48Å; R248-T252 WeakPolarHBondContact O-CG2 3.37Å; R248-T252 PolarHBondContact O-N 3.43Å; R248-T252 PolarHBondContact O-OG1 2.92Å; D249-T252 VanDerWaalsContact CA-OG1 3.28Å; D249-T252 WeakPolarHBondContact CA-OG1 3.3Å; D249-T252 PolarHBondContact O-OG1 3.41Å; T252-H254 VanDerWaalsContact C-N 3.35Å; T252-L255 PolarHBondContact O-N 2.69Å; T252-R256 WeakPolarHBondContact O-CB 3.48Å; T252-R256 VanDerWaalsContact O-CG 3.31Å; T252-R256 WeakPolarHBondContact O-CG 3.34Å; T252-R256 PolarHBondContact O-N 3.28Å |
| 253 | R | 90.1 | Very high | 85.9 | Confident | 157 Ų | 157 | 120 Ų | 120 | 59% | 0.592 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.9 | -42.4 | 172.2 | -75.3 | 176.1 | -162.7 | 112.7 | 2.9 | 111.5 | D249 R250 R256 A257 | D249-R253 VanDerWaalsContact CB-NH1 3.29Å; D249-R253 VanDerWaalsContact O-CB 3.27Å; D249-R253 WeakPolarHBondContact O-CB 3.41Å; D249-R253 WeakPolarHBondContact O-CG 3.4Å; D249-R253 PolarHBondContact O-N 3.21Å; R250-R253 PolarHBondContact O-N 2.85Å; R253-R256 PolarHBondContact O-N 3.37Å; R253-A257 WeakPolarHBondContact O-CB 3.47Å; R253-A257 PolarHBondContact O-N 3.21Å |
| 254 | H | 89.2 | Confident | 84.9 | Confident | 112 Ų | 112 | 119.8 Ų | 119.8 | 52% | 0.519 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.8 | -46.5 | 177.7 | -175.2 | 58 | 0 | 0 | 0 | 111.8 | R250 E251 T252 R256 A257 L258 | R250-H254 VanDerWaalsContact O-CB 3.31Å; R250-H254 WeakPolarHBondContact O-CB 3.45Å; R250-H254 PolarHBondContact O-N 2.88Å; E251-H254 PolarHBondContact O-N 3.41Å; T252-H254 VanDerWaalsContact C-N 3.35Å; H254-R256 VanDerWaalsContact C-N 3.32Å; H254-R256 PolarHBondContact O-N 2.99Å; H254-A257 PolarHBondContact O-N 2.83Å; H254-A257 VanDerWaalsContact O-N 3.17Å; H254-L258 WeakPolarHBondContact O-CG 3.39Å; H254-L258 PolarHBondContact O-N 3.37Å |
| 255 | L | 85.3 | Confident | 84.1 | Confident | 114 Ų | 114 | 116.9 Ų | 116.9 | 60% | 0.597 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.8 | -40.5 | 175.4 | -70.2 | 172.9 | 0 | 0 | 0 | 112 | E251 T252 L258 Q259 | E251-L255 WeakPolarHBondContact O-CB 3.45Å; E251-L255 VanDerWaalsContact O-CG 3.28Å; E251-L255 WeakPolarHBondContact O-CG 3.3Å; E251-L255 PolarHBondContact O-N 2.85Å; T252-L255 PolarHBondContact O-N 2.69Å; L255-L258 PolarHBondContact O-N 3.45Å; L255-Q259 WeakPolarHBondContact O-CB 3.41Å; L255-Q259 PolarHBondContact O-N 2.82Å |
| 256 | R | 81.8 | Confident | 83.4 | Confident | 191 Ų | 191 | 114.9 Ų | 114.9 | 72% | 0.721 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.1 | -35.6 | 174.7 | -76.1 | -179.1 | -179.3 | -177.5 | 2.8 | 112.9 | T252 R253 H254 Q259 | T252-R256 WeakPolarHBondContact O-CB 3.48Å; T252-R256 VanDerWaalsContact O-CG 3.31Å; T252-R256 WeakPolarHBondContact O-CG 3.34Å; T252-R256 PolarHBondContact O-N 3.28Å; R253-R256 PolarHBondContact O-N 3.37Å; H254-R256 VanDerWaalsContact C-N 3.32Å; H254-R256 PolarHBondContact O-N 2.99Å; R256-Q259 PolarHBondContact O-N 3.47Å |
| 257 | A | 84.6 | Confident | 82.6 | Confident | 84 Ų | 84 | 119.4 Ų | 119.4 | 69% | 0.694 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -70.6 | -34.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R253 H254 | R253-A257 WeakPolarHBondContact O-CB 3.47Å; R253-A257 PolarHBondContact O-N 3.21Å; H254-A257 PolarHBondContact O-N 2.83Å; H254-A257 VanDerWaalsContact O-N 3.17Å |
| 258 | L | 83.5 | Confident | 82.3 | Confident | 115 Ų | 115 | 119.3 Ų | 119.3 | 60% | 0.602 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -75.3 | -25.8 | 174.6 | -68 | 176.3 | 0 | 0 | 0 | 112.7 | H254 L255 K260 | H254-L258 WeakPolarHBondContact O-CG 3.39Å; H254-L258 PolarHBondContact O-N 3.37Å; L255-L258 PolarHBondContact O-N 3.45Å; L258-K260 PolarHBondContact O-N 2.85Å |
| 259 | Q | 78.6 | Confident | 81.8 | Confident | 109 Ų | 109 | 122.1 Ų | 122.1 | 51% | 0.509 | 57% | 0.572 | S | S | . | * | trans | -71.6 | 95.9 | 174.5 | -171.5 | 178.3 | 19.5 | 0 | 0 | 109.9 | L255 R256 P261 | L255-Q259 WeakPolarHBondContact O-CB 3.41Å; L255-Q259 PolarHBondContact O-N 2.82Å; R256-Q259 PolarHBondContact O-N 3.47Å; Q259-P261 VanDerWaalsContact O-CD 3.23Å; Q259-P261 WeakPolarHBondContact O-CD 3.3Å | ||
| 260 | K | 74.9 | Confident | 81.4 | Confident | 183 Ų | 183 | 122.8 Ų | 122.8 | 80% | 0.796 | 58% | 0.575 | S | S | * | * | trans | -67.5 | 112.2 | 162.5 | -67.6 | -178.1 | -179.7 | -179.8 | 0 | 107.4 | L258 F262 | L258-K260 PolarHBondContact O-N 2.85Å; K260-F262 PolarHBondContact O-N 3.28Å | ||
| 261 | P | 74.9 | Confident | 81.1 | Confident | 81 Ų | 81 | 121.1 Ų | 121.1 | 53% | 0.526 | 57% | 0.573 | S | S | . | * | trans | -59.5 | 132.5 | 176.7 | 25.6 | -32.3 | 0 | 0 | 0 | 107.9 | Q259 S263 L265 | Q259-P261 VanDerWaalsContact O-CD 3.23Å; Q259-P261 WeakPolarHBondContact O-CD 3.3Å; P261-S263 PolarHBondContact O-N 2.95Å; P261-L265 HydrophobicContact CB-CB 4.27Å; P261-L265 HydrophobicContact CB-CD1 4.14Å | ||
| 262 | F | 65.9 | Low | 80.9 | Confident | 122 Ų | 122 | 122.3 Ų | 122.3 | 54% | 0.535 | 58% | 0.576 | S | S | . | * | trans | -56.8 | 142.3 | 173 | 1.6 | -80 | 0 | 0 | 0 | 107.8 | K260 F264 L265 | K260-F262 PolarHBondContact O-N 3.28Å; F262-F264 PolarHBondContact O-N 3.19Å; F262-L265 HydrophobicContact CD2-CB 4.28Å; F262-L265 HydrophobicContact CD2-CD1 3.52Å; F262-L265 HydrophobicContact CD2-CG 3.49Å; F262-L265 VanDerWaalsContact CD2-CG 3.49Å; F262-L265 HydrophobicContact CE2-CD1 3.17Å; F262-L265 HydrophobicContact CE2-CD2 4.27Å; F262-L265 HydrophobicContact CE2-CG 3.44Å; F262-L265 VanDerWaalsContact CE2-CG 3.44Å; F262-L265 HydrophobicContact CG-CD1 4.41Å; F262-L265 HydrophobicContact CZ-CD1 3.83Å; F262-L265 PolarHBondContact O-N 3.22Å | ||
| 263 | S | 73.3 | Confident | 80.8 | Confident | 86 Ų | 86 | 124.3 Ų | 124.3 | 60% | 0.601 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -54.9 | -15.7 | 178.7 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | P261 R267 | P261-S263 PolarHBondContact O-N 2.95Å; S263-R267 WeakPolarHBondContact O-CB 3.29Å; S263-R267 PolarHBondContact O-N 3Å |
| 264 | F | 69 | Low | 80.6 | Confident | 120 Ų | 120 | 121.7 Ų | 121.7 | 53% | 0.526 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.6 | -42.3 | 169.3 | -172.9 | -96.5 | 0 | 0 | 0 | 113.9 | F262 E266 R267 E268 | F262-F264 PolarHBondContact O-N 3.19Å; F264-E266 VanDerWaalsContact C-N 3.35Å; F264-R267 PolarHBondContact O-N 3.06Å; F264-E268 VanDerWaalsContact O-CB 3.27Å; F264-E268 WeakPolarHBondContact O-CB 3.37Å; F264-E268 PolarHBondContact O-N 3.25Å |
| 265 | L | 75.9 | Confident | 80.5 | Confident | 64 Ų | 64 | 122.6 Ų | 122.6 | 34% | 0.335 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.1 | -37.4 | 178 | -80.7 | 171.2 | 0 | 0 | 0 | 111.8 | P261 F262 E268 R269 | P261-L265 HydrophobicContact CB-CB 4.27Å; P261-L265 HydrophobicContact CB-CD1 4.14Å; F262-L265 HydrophobicContact CD2-CB 4.28Å; F262-L265 HydrophobicContact CD2-CD1 3.52Å; F262-L265 HydrophobicContact CD2-CG 3.49Å; F262-L265 VanDerWaalsContact CD2-CG 3.49Å; F262-L265 HydrophobicContact CE2-CD1 3.17Å; F262-L265 HydrophobicContact CE2-CD2 4.27Å; F262-L265 HydrophobicContact CE2-CG 3.44Å; F262-L265 VanDerWaalsContact CE2-CG 3.44Å; F262-L265 HydrophobicContact CG-CD1 4.41Å; F262-L265 HydrophobicContact CZ-CD1 3.83Å; F262-L265 PolarHBondContact O-N 3.22Å; L265-E268 PolarHBondContact O-N 2.88Å; L265-R269 WeakPolarHBondContact O-CB 3.31Å; L265-R269 PolarHBondContact O-N 3.31Å |
| 266 | E | 77.6 | Confident | 80.4 | Confident | 123 Ų | 123 | 121.6 Ų | 121.6 | 58% | 0.575 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.2 | -43.6 | 174.5 | -169.8 | 176.5 | -167.7 | 0 | 0 | 111 | F264 E268 R269 L270 | F264-E266 VanDerWaalsContact C-N 3.35Å; E266-E268 VanDerWaalsContact C-N 3.32Å; E266-E268 PolarHBondContact O-N 2.91Å; E266-R269 PolarHBondContact O-N 3.07Å; E266-L270 WeakPolarHBondContact O-CB 3.23Å; E266-L270 PolarHBondContact O-N 3.28Å |
| 267 | R | 77.9 | Confident | 80.4 | Confident | 167 Ų | 167 | 117.3 Ų | 117.3 | 63% | 0.63 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.2 | -40 | 172.1 | -178.3 | -174.2 | -63.3 | 179.9 | -1.3 | 112.4 | S263 F264 K271 | S263-R267 WeakPolarHBondContact O-CB 3.29Å; S263-R267 PolarHBondContact O-N 3Å; F264-R267 PolarHBondContact O-N 3.06Å; R267-K271 VanDerWaalsContact O-CB 3.29Å; R267-K271 WeakPolarHBondContact O-CB 3.25Å; R267-K271 PolarHBondContact O-N 3.33Å |
| 268 | E | 83.9 | Confident | 80.2 | Confident | 106 Ų | 106 | 118.4 Ų | 118.4 | 50% | 0.495 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -72.1 | -37.2 | 179.7 | -164.7 | 175.6 | -161.6 | 0 | 0 | 111.4 | F264 L265 E266 K271 K272 | F264-E268 VanDerWaalsContact O-CB 3.27Å; F264-E268 WeakPolarHBondContact O-CB 3.37Å; F264-E268 PolarHBondContact O-N 3.25Å; L265-E268 PolarHBondContact O-N 2.88Å; E266-E268 VanDerWaalsContact C-N 3.32Å; E266-E268 PolarHBondContact O-N 2.91Å; E268-K271 PolarHBondContact O-N 3.41Å; E268-K272 VanDerWaalsContact O-CB 3.28Å; E268-K272 WeakPolarHBondContact O-CB 3.43Å; E268-K272 PolarHBondContact O-N 2.95Å |
| 269 | R | 83.8 | Confident | 80 | Confident | 196 Ų | 196 | 117.3 Ų | 117.3 | 74% | 0.74 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.4 | -50.4 | 168.1 | -87.4 | -174 | 177.1 | 175.8 | -1.4 | 111.9 | L265 E266 K271 K272 E273 | L265-R269 WeakPolarHBondContact O-CB 3.31Å; L265-R269 PolarHBondContact O-N 3.31Å; E266-R269 PolarHBondContact O-N 3.07Å; R269-K271 VanDerWaalsContact C-N 3.32Å; R269-K271 PolarHBondContact O-N 3.33Å; R269-K272 CarbonylContact O-C 3.56Å; R269-K272 WeakPolarHBondContact O-CA 3.24Å; R269-K272 WeakPolarHBondContact O-CB 3.37Å; R269-K272 PolarHBondContact O-N 3.11Å; R269-E273 PolarHBondContact O-N 3.08Å |
| 270 | L | 84.4 | Confident | 79.9 | Confident | 87 Ų | 87 | 117.4 Ų | 117.4 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.6 | -42.4 | 176.2 | -90.8 | 159.7 | 0 | 0 | 0 | 111.9 | E266 K272 E273 Q274 | E266-L270 WeakPolarHBondContact O-CB 3.23Å; E266-L270 PolarHBondContact O-N 3.28Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-K272 PolarHBondContact O-N 3.4Å; L270-E273 PolarHBondContact O-N 3.28Å; L270-Q274 VanDerWaalsContact O-CB 3.29Å; L270-Q274 WeakPolarHBondContact O-CB 3.38Å; L270-Q274 WeakPolarHBondContact O-CG 3.43Å; L270-Q274 PolarHBondContact O-N 3.38Å |
| 271 | K | 86.8 | Confident | 79.7 | Confident | 150 Ų | 150 | 113.6 Ų | 113.6 | 65% | 0.652 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.7 | -34.8 | 176.1 | -169.8 | 176.9 | -178.4 | -178.6 | 0 | 111.8 | R267 E268 R269 K275 | R267-K271 VanDerWaalsContact O-CB 3.29Å; R267-K271 WeakPolarHBondContact O-CB 3.25Å; R267-K271 PolarHBondContact O-N 3.33Å; E268-K271 PolarHBondContact O-N 3.41Å; R269-K271 VanDerWaalsContact C-N 3.32Å; R269-K271 PolarHBondContact O-N 3.33Å; K271-K275 VanDerWaalsContact O-CB 3.29Å; K271-K275 WeakPolarHBondContact O-CB 3.47Å; K271-K275 PolarHBondContact O-N 2.86Å |
| 272 | K | 87.3 | Confident | 79.4 | Confident | 137 Ų | 137 | 114.3 Ų | 114.3 | 60% | 0.596 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -73 | -41.9 | 176.7 | -164.9 | 175.8 | -177.9 | 179.9 | 0 | 111.6 | E268 R269 L270 K275 Q276 | E268-K272 VanDerWaalsContact O-CB 3.28Å; E268-K272 WeakPolarHBondContact O-CB 3.43Å; E268-K272 PolarHBondContact O-N 2.95Å; R269-K272 CarbonylContact O-C 3.56Å; R269-K272 WeakPolarHBondContact O-CA 3.24Å; R269-K272 WeakPolarHBondContact O-CB 3.37Å; R269-K272 PolarHBondContact O-N 3.11Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-K272 PolarHBondContact O-N 3.4Å; K272-K275 PolarHBondContact O-N 3.49Å; K272-Q276 WeakPolarHBondContact O-CB 3.43Å; K272-Q276 VanDerWaalsContact O-CG 3.31Å; K272-Q276 WeakPolarHBondContact O-CG 3.41Å; K272-Q276 PolarHBondContact O-N 3.1Å |
| 273 | E | 88.5 | Confident | 79.4 | Confident | 106 Ų | 106 | 114.2 Ų | 114.2 | 50% | 0.495 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 171.1 | -87.5 | -178.9 | 163 | 0 | 0 | 111.3 | R269 L270 K275 Q276 Q277 | R269-E273 PolarHBondContact O-N 3.08Å; L270-E273 PolarHBondContact O-N 3.28Å; E273-K275 VanDerWaalsContact C-N 3.28Å; E273-K275 PolarHBondContact O-N 2.88Å; E273-Q276 CarbonylContact O-C 3.55Å; E273-Q276 PolarHBondContact O-N 3.45Å; E273-Q276 VanDerWaalsContact O-N 3.11Å; E273-Q277 WeakPolarHBondContact O-CB 3.49Å; E273-Q277 WeakPolarHBondContact O-CG 3.45Å; E273-Q277 PolarHBondContact O-N 3.28Å |
| 274 | Q | 85.9 | Confident | 78.9 | Confident | 102 Ų | 102 | 116.2 Ų | 116.2 | 48% | 0.477 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.6 | -38.5 | 174.2 | -75.9 | 175 | 5.2 | 0 | 0 | 111.8 | L270 Q278 | L270-Q274 VanDerWaalsContact O-CB 3.29Å; L270-Q274 WeakPolarHBondContact O-CB 3.38Å; L270-Q274 WeakPolarHBondContact O-CG 3.43Å; L270-Q274 PolarHBondContact O-N 3.38Å; Q274-Q278 VanDerWaalsContact O-CB 3.28Å; Q274-Q278 WeakPolarHBondContact O-CB 3.42Å; Q274-Q278 VanDerWaalsContact O-CG 3.27Å; Q274-Q278 WeakPolarHBondContact O-CG 3.32Å; Q274-Q278 PolarHBondContact O-N 3.02Å |
| 275 | K | 86.4 | Confident | 78.3 | Confident | 132 Ų | 132 | 115.9 Ų | 115.9 | 57% | 0.574 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.9 | -37.3 | 174.8 | -168.5 | 177.2 | -179.1 | -177.7 | 0 | 111.7 | K271 K272 E273 Q279 | K271-K275 VanDerWaalsContact O-CB 3.29Å; K271-K275 WeakPolarHBondContact O-CB 3.47Å; K271-K275 PolarHBondContact O-N 2.86Å; K272-K275 PolarHBondContact O-N 3.49Å; E273-K275 VanDerWaalsContact C-N 3.28Å; E273-K275 PolarHBondContact O-N 2.88Å; K275-Q279 WeakPolarHBondContact O-CB 3.49Å; K275-Q279 VanDerWaalsContact O-CG 3.26Å; K275-Q279 WeakPolarHBondContact O-CG 3.22Å; K275-Q279 PolarHBondContact O-N 3.22Å |
| 276 | Q | 83.4 | Confident | 77.3 | Confident | 92 Ų | 92 | 119.3 Ų | 119.3 | 43% | 0.43 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.3 | -41.7 | 174.6 | -75.5 | 174 | -4.7 | 0 | 0 | 111.7 | K272 E273 Q279 Q280 | K272-Q276 WeakPolarHBondContact O-CB 3.43Å; K272-Q276 VanDerWaalsContact O-CG 3.31Å; K272-Q276 WeakPolarHBondContact O-CG 3.41Å; K272-Q276 PolarHBondContact O-N 3.1Å; E273-Q276 CarbonylContact O-C 3.55Å; E273-Q276 PolarHBondContact O-N 3.45Å; E273-Q276 VanDerWaalsContact O-N 3.11Å; Q276-Q279 CarbonylContact O-C 3.59Å; Q276-Q279 PolarHBondContact O-N 3.5Å; Q276-Q280 WeakPolarHBondContact O-CB 3.26Å; Q276-Q280 WeakPolarHBondContact O-CG 3.39Å; Q276-Q280 PolarHBondContact O-N 3.02Å |
| 277 | Q | 82.1 | Confident | 76.3 | Confident | 102 Ų | 102 | 121.1 Ų | 121.1 | 48% | 0.477 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 173 | -72.2 | 176.2 | 5.1 | 0 | 0 | 111.3 | E273 Q279 Q280 Q281 | E273-Q277 WeakPolarHBondContact O-CB 3.49Å; E273-Q277 WeakPolarHBondContact O-CG 3.45Å; E273-Q277 PolarHBondContact O-N 3.28Å; Q277-Q279 VanDerWaalsContact C-N 3.34Å; Q277-Q280 PolarHBondContact O-N 3.42Å; Q277-Q281 VanDerWaalsContact O-CB 3.29Å; Q277-Q281 WeakPolarHBondContact O-CB 3.41Å; Q277-Q281 VanDerWaalsContact O-CG 3.26Å; Q277-Q281 WeakPolarHBondContact O-CG 3.39Å; Q277-Q281 PolarHBondContact O-N 2.95Å |
| 278 | Q | 80.9 | Confident | 75.2 | Confident | 107 Ų | 107 | 116.7 Ų | 116.7 | 50% | 0.5 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 171.9 | -79.7 | 177.1 | 14.3 | 0 | 0 | 111.8 | Q274 Q282 | Q274-Q278 VanDerWaalsContact O-CB 3.28Å; Q274-Q278 WeakPolarHBondContact O-CB 3.42Å; Q274-Q278 VanDerWaalsContact O-CG 3.27Å; Q274-Q278 WeakPolarHBondContact O-CG 3.32Å; Q274-Q278 PolarHBondContact O-N 3.02Å; Q278-Q282 WeakPolarHBondContact O-CB 3.33Å; Q278-Q282 WeakPolarHBondContact O-CG 3.42Å; Q278-Q282 PolarHBondContact O-N 3.04Å |
| 279 | Q | 78.1 | Confident | 73.5 | Confident | 91 Ų | 91 | 117.5 Ų | 117.5 | 43% | 0.425 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.1 | -39.6 | 173.9 | -79 | 175.4 | -2.9 | 0 | 0 | 111.9 | K275 Q276 Q277 Q282 Q283 | K275-Q279 WeakPolarHBondContact O-CB 3.49Å; K275-Q279 VanDerWaalsContact O-CG 3.26Å; K275-Q279 WeakPolarHBondContact O-CG 3.22Å; K275-Q279 PolarHBondContact O-N 3.22Å; Q276-Q279 CarbonylContact O-C 3.59Å; Q276-Q279 PolarHBondContact O-N 3.5Å; Q277-Q279 VanDerWaalsContact C-N 3.34Å; Q279-Q282 PolarHBondContact O-N 3.32Å; Q279-Q283 WeakPolarHBondContact O-CB 3.45Å; Q279-Q283 VanDerWaalsContact O-CG 3.27Å; Q279-Q283 WeakPolarHBondContact O-CG 3.26Å; Q279-Q283 PolarHBondContact O-N 3.01Å |
| 280 | Q | 76.1 | Confident | 71.8 | Confident | 111 Ų | 111 | 113 Ų | 113 | 52% | 0.519 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67 | -41.6 | 173.9 | -72.8 | 174.5 | 14.4 | 0 | 0 | 111.5 | Q276 Q277 Q283 Q284 | Q276-Q280 WeakPolarHBondContact O-CB 3.26Å; Q276-Q280 WeakPolarHBondContact O-CG 3.39Å; Q276-Q280 PolarHBondContact O-N 3.02Å; Q277-Q280 PolarHBondContact O-N 3.42Å; Q280-Q283 PolarHBondContact O-N 2.8Å; Q280-Q284 WeakPolarHBondContact O-CG 3.37Å; Q280-Q284 PolarHBondContact O-N 2.69Å |
| 281 | Q | 72.6 | Confident | 70.5 | Confident | 103 Ų | 103 | 116 Ų | 116 | 48% | 0.481 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.4 | -37.1 | 173.3 | -75.3 | 175.9 | 21.5 | 0 | 0 | 111.9 | Q277 Q284 Q285 | Q277-Q281 VanDerWaalsContact O-CB 3.29Å; Q277-Q281 WeakPolarHBondContact O-CB 3.41Å; Q277-Q281 VanDerWaalsContact O-CG 3.26Å; Q277-Q281 WeakPolarHBondContact O-CG 3.39Å; Q277-Q281 PolarHBondContact O-N 2.95Å; Q281-Q284 PolarHBondContact O-N 3.4Å; Q281-Q285 WeakPolarHBondContact O-CB 3.46Å; Q281-Q285 WeakPolarHBondContact O-CG 3.47Å; Q281-Q285 PolarHBondContact O-N 3.09Å |
| 282 | Q | 68.1 | Low | 69 | Low | 97 Ų | 97 | 117.2 Ų | 117.2 | 45% | 0.453 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.6 | -35.9 | 172.9 | -78.9 | 172.3 | 26.3 | 0 | 0 | 111.7 | Q278 Q279 Q285 Q286 | Q278-Q282 WeakPolarHBondContact O-CB 3.33Å; Q278-Q282 WeakPolarHBondContact O-CG 3.42Å; Q278-Q282 PolarHBondContact O-N 3.04Å; Q279-Q282 PolarHBondContact O-N 3.32Å; Q282-Q285 PolarHBondContact O-N 2.98Å; Q282-Q286 VanDerWaalsContact O-CB 3.27Å; Q282-Q286 WeakPolarHBondContact O-CB 3.36Å; Q282-Q286 WeakPolarHBondContact O-CG 3.29Å; Q282-Q286 PolarHBondContact O-N 3.48Å; Q282-Q286 PolarHBondContact O-NE2 3.03Å |
| 283 | Q | 66.4 | Low | 67.3 | Low | 119 Ų | 119 | 119.2 Ų | 119.2 | 56% | 0.556 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.4 | -38.1 | 172.2 | -75.7 | 173.3 | 17.8 | 0 | 0 | 111.4 | Q279 Q280 Q287 | Q279-Q283 WeakPolarHBondContact O-CB 3.45Å; Q279-Q283 VanDerWaalsContact O-CG 3.27Å; Q279-Q283 WeakPolarHBondContact O-CG 3.26Å; Q279-Q283 PolarHBondContact O-N 3.01Å; Q280-Q283 PolarHBondContact O-N 2.8Å; Q283-Q287 WeakPolarHBondContact O-CG 3.47Å; Q283-Q287 PolarHBondContact O-N 3.02Å |
| 284 | Q | 61.2 | Low | 66 | Low | 128 Ų | 128 | 122.6 Ų | 122.6 | 60% | 0.598 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.9 | -38.6 | 172.8 | -72 | 173.5 | 16.6 | 0 | 0 | 112.5 | Q280 Q281 Q287 A288 | Q280-Q284 WeakPolarHBondContact O-CG 3.37Å; Q280-Q284 PolarHBondContact O-N 2.69Å; Q281-Q284 PolarHBondContact O-N 3.4Å; Q284-Q287 PolarHBondContact O-N 2.89Å; Q284-A288 PolarHBondContact O-N 3.47Å; Q284-A288 VanDerWaalsContact O-N 3.16Å |
| 285 | Q | 57.6 | Low | 64.8 | Low | 113 Ų | 113 | 123.9 Ų | 123.9 | 53% | 0.528 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -70.5 | -35 | 174.3 | -79.6 | 172.4 | -1.3 | 0 | 0 | 112.3 | Q281 Q282 Q287 A288 D289 | Q281-Q285 WeakPolarHBondContact O-CB 3.46Å; Q281-Q285 WeakPolarHBondContact O-CG 3.47Å; Q281-Q285 PolarHBondContact O-N 3.09Å; Q282-Q285 PolarHBondContact O-N 2.98Å; Q285-Q287 PolarHBondContact O-N 3.18Å; Q285-A288 CarbonylContact O-C 3.59Å; Q285-A288 PolarHBondContact O-N 2.98Å; Q285-D289 WeakPolarHBondContact O-CB 3.5Å; Q285-D289 PolarHBondContact O-N 2.88Å |
| 286 | Q | 55.1 | Low | 63.9 | Low | 137 Ų | 137 | 126.5 Ų | 126.5 | 64% | 0.64 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.5 | -26.6 | 172.7 | -77.3 | 170.1 | 42 | 0 | 0 | 112.4 | Q282 | Q282-Q286 VanDerWaalsContact O-CB 3.27Å; Q282-Q286 WeakPolarHBondContact O-CB 3.36Å; Q282-Q286 WeakPolarHBondContact O-CG 3.29Å; Q282-Q286 PolarHBondContact O-N 3.48Å; Q282-Q286 PolarHBondContact O-NE2 3.03Å |
| 287 | Q | 55.7 | Low | 62.8 | Low | 160 Ų | 160 | 131.3 Ų | 131.3 | 75% | 0.748 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -77.3 | -29.3 | 170.2 | -70.5 | 178.5 | -5.8 | 0 | 0 | 112.4 | Q283 Q284 Q285 | Q283-Q287 WeakPolarHBondContact O-CG 3.47Å; Q283-Q287 PolarHBondContact O-N 3.02Å; Q284-Q287 PolarHBondContact O-N 2.89Å; Q285-Q287 PolarHBondContact O-N 3.18Å |
| 288 | A | 54.1 | Low | 62.3 | Low | 74 Ų | 74 | 130.2 Ų | 130.2 | 61% | 0.612 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -87.3 | -27.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q284 Q285 | Q284-A288 PolarHBondContact O-N 3.47Å; Q284-A288 VanDerWaalsContact O-N 3.16Å; Q285-A288 CarbonylContact O-C 3.59Å; Q285-A288 PolarHBondContact O-N 2.98Å |
| 289 | D | 49.9 | Very low | 62.1 | Low | 123 Ų | 123 | 134.4 Ų | 134.4 | 66% | 0.658 | 67% | 0.67 | S | S | * | * | trans | -99.9 | 18.4 | -175.8 | -76.2 | -21.8 | 0 | 0 | 0 | 113.6 | Q285 E291 | Q285-D289 WeakPolarHBondContact O-CB 3.5Å; Q285-D289 PolarHBondContact O-N 2.88Å; D289-E291 PolarHBondContact O-N 3.34Å; D289-E291 VanDerWaalsContact O-N 3.15Å | ||
| 290 | S | 47.5 | Very low | 62 | Low | 102 Ų | 102 | 135.9 Ų | 135.9 | 71% | 0.713 | 69% | 0.688 | S | S | * | * | trans | -68.4 | -4 | 171 | 64.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 291 | E | 57.3 | Low | 61.7 | Low | 149 Ų | 149 | 134.7 Ų | 134.7 | 70% | 0.696 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -109.3 | 109.6 | 172.4 | -66.2 | -171 | 178.3 | 0 | 0 | 112 | D289 | D289-E291 PolarHBondContact O-N 3.34Å; D289-E291 VanDerWaalsContact O-N 3.15Å |
| 292 | K | 55.6 | Low | 62 | Low | 176 Ų | 176 | 133.6 Ų | 133.6 | 77% | 0.765 | 69% | 0.69 | S | S | * | * | trans | 94.1 | 86 | 161.7 | -52.3 | 165 | -169.7 | 172.5 | 0 | 116.3 | K294 | K292-K294 PolarHBondContact O-N 2.78Š| ||
| 293 | I | 49.9 | Very low | 62 | Low | 179 Ų | 179 | 137.9 Ų | 137.9 | 92% | 0.918 | 71% | 0.707 | S | S | * | * | trans | -69.5 | 121.5 | 161.4 | -58.8 | 168.4 | 0 | 0 | 0 | 109.2 | ||||
| 294 | K | 61.2 | Low | 62.1 | Low | 178 Ų | 178 | 136.1 Ų | 136.1 | 77% | 0.774 | 71% | 0.708 | S | S | * | * | trans | -109.5 | 141.7 | 167.6 | -71.1 | 178.3 | -178.9 | 175.2 | 0 | 109.8 | K292 | K292-K294 PolarHBondContact O-N 2.78Š| ||
| 295 | P | 61.8 | Low | 62.4 | Low | 128 Ų | 128 | 133.8 Ų | 133.8 | 83% | 0.831 | 70% | 0.702 | S | S | * | * | trans | -67.9 | 140.7 | 179.3 | 26 | -32.3 | 0 | 0 | 0 | 112.6 | ||||
| 296 | F | 67.1 | Low | 62.8 | Low | 187 Ų | 187 | 136.4 Ų | 136.4 | 82% | 0.82 | 71% | 0.708 | S | S | * | * | trans | -62.2 | 132.8 | -172 | 173.3 | -102.5 | 0 | 0 | 0 | 113.9 | A298 | F296-A298 HydrophobicContact CE1-CB 4.14Å; F296-A298 HydrophobicContact CZ-CB 4.1Å | ||
| 297 | K | 61.2 | Low | 63.2 | Low | 194 Ų | 194 | 132.2 Ų | 132.2 | 84% | 0.843 | 70% | 0.697 | S | S | * | * | trans | -124.1 | 125.6 | 162.8 | -67.9 | -169.8 | 178.1 | -174.4 | 0 | 108.9 | ||||
| 298 | A | 72 | Confident | 63.5 | Low | 79 Ų | 79 | 127.8 Ų | 127.8 | 65% | 0.653 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 134.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111 | F296 | F296-A298 HydrophobicContact CE1-CB 4.14Å; F296-A298 HydrophobicContact CZ-CB 4.1Å |
| 299 | K | 74.9 | Confident | 63.9 | Low | 195 Ų | 195 | 128.3 Ų | 128.3 | 85% | 0.848 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 141.8 | 173.9 | -66.6 | 178.2 | -179.7 | 176.6 | 0 | 109.3 | ||
| 300 | P | 76.3 | Confident | 64.6 | Low | 121 Ų | 121 | 125.6 Ų | 125.6 | 79% | 0.786 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 144.7 | 176.6 | 26.1 | -34 | 0 | 0 | 0 | 110.3 | ||
| 301 | V | 70.3 | Confident | 65.7 | Low | 86 Ų | 86 | 122.2 Ų | 122.2 | 52% | 0.521 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 127.3 | -176.6 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | V305 | V301-V305 HydrophobicContact CG1-CB 3.62Å; V301-V305 HydrophobicContact CG1-CG1 3.93Å; V301-V305 HydrophobicContact CG1-CG2 3.53Å |
| 302 | P | 78 | Confident | 66.7 | Low | 80 Ų | 80 | 119.5 Ų | 119.5 | 52% | 0.519 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 140.5 | -179.7 | -25.5 | 33.8 | 0 | 0 | 0 | 112.1 | S304 V305 | P302-S304 PolarHBondContact O-N 2.96Å; P302-V305 WeakPolarHBondContact O-CB 3.46Å; P302-V305 PolarHBondContact O-N 3.25Å |
| 303 | K | 68.8 | Low | 67.5 | Low | 187 Ų | 187 | 116.3 Ų | 116.3 | 81% | 0.813 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -56 | -20.1 | 178.5 | -65.3 | -179.2 | 179.5 | 179.7 | 0 | 113.7 | V305 Y306 A307 | K303-V305 VanDerWaalsContact C-N 3.26Å; K303-V305 PolarHBondContact O-N 2.9Å; K303-Y306 PolarHBondContact O-N 2.89Å; K303-A307 PolarHBondContact O-N 2.76Å |
| 304 | S | 68.2 | Low | 68.9 | Low | 82 Ų | 82 | 111.7 Ų | 111.7 | 57% | 0.573 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.8 | -26.6 | 173.5 | 54.5 | 0 | 0 | 0 | 0 | 113.8 | P302 Y306 A307 A308 | P302-S304 PolarHBondContact O-N 2.96Å; S304-Y306 VanDerWaalsContact C-N 3.35Å; S304-A307 PolarHBondContact O-N 3.16Å; S304-A308 PolarHBondContact O-N 3.35Å; S304-A308 VanDerWaalsContact O-N 3.16Å |
| 305 | V | 67.4 | Low | 70.1 | Confident | 80 Ų | 80 | 109.8 Ų | 109.8 | 49% | 0.485 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.5 | -36.5 | 175.5 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | V301 P302 K303 | V301-V305 HydrophobicContact CG1-CB 3.62Å; V301-V305 HydrophobicContact CG1-CG1 3.93Å; V301-V305 HydrophobicContact CG1-CG2 3.53Å; P302-V305 WeakPolarHBondContact O-CB 3.46Å; P302-V305 PolarHBondContact O-N 3.25Å; K303-V305 VanDerWaalsContact C-N 3.26Å; K303-V305 PolarHBondContact O-N 2.9Å |
| 306 | Y | 66.6 | Low | 71.2 | Confident | 168 Ų | 168 | 108.3 Ų | 108.3 | 66% | 0.659 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -73.4 | -31.3 | 174.9 | -65.9 | -79 | 0 | 0 | 0 | 112.4 | K303 S304 A308 A309 | K303-Y306 PolarHBondContact O-N 2.89Å; S304-Y306 VanDerWaalsContact C-N 3.35Å; Y306-A308 VanDerWaalsContact C-N 3.34Å; Y306-A309 PolarHBondContact O-N 3.27Å |
| 307 | A | 63.6 | Low | 72.1 | Confident | 49 Ų | 49 | 103.6 Ų | 103.6 | 41% | 0.405 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -72.5 | -23.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | K303 S304 S310 | K303-A307 PolarHBondContact O-N 2.76Å; S304-A307 PolarHBondContact O-N 3.16Å; A307-S310 PolarHBondContact O-OG 3.29Å |
| 308 | A | 62.5 | Low | 73.5 | Confident | 67 Ų | 67 | 100.3 Ų | 100.3 | 55% | 0.554 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -77.7 | -24.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S304 Y306 | S304-A308 PolarHBondContact O-N 3.35Å; S304-A308 VanDerWaalsContact O-N 3.16Å; Y306-A308 VanDerWaalsContact C-N 3.34Å |
| 309 | A | 62.3 | Low | 74.5 | Confident | 84 Ų | 84 | 101.6 Ų | 101.6 | 69% | 0.694 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -83 | -16.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y306 G311 | Y306-A309 PolarHBondContact O-N 3.27Å; A309-G311 PolarHBondContact O-N 3.32Å |
| 310 | S | 64.1 | Low | 75.2 | Confident | 66 Ų | 66 | 99.2 Ų | 99.2 | 46% | 0.462 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -0.7 | -174.9 | 28.9 | 0 | 0 | 0 | 0 | 114.9 | A307 D312 | A307-S310 PolarHBondContact O-OG 3.29Å; S310-D312 PolarHBondContact O-N 3.39Å |
| 311 | G | 70.4 | Confident | 75.9 | Confident | 31 Ų | 31 | 103 Ų | 103 | 32% | 0.32 | 55% | 0.547 | S | S | . | . | S | Bend | trans | 66.6 | -19.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | A309 Q313 V314 K315 | A309-G311 PolarHBondContact O-N 3.32Å; G311-Q313 PolarHBondContact O-N 2.89Å; G311-V314 WeakPolarHBondContact O-CB 3.42Å; G311-V314 PolarHBondContact O-N 3.49Å; G311-V314 VanDerWaalsContact O-N 3.13Å; G311-K315 PolarHBondContact O-N 2.81Å |
| 312 | D | 78.3 | Confident | 77 | Confident | 93 Ų | 93 | 101.9 Ų | 101.9 | 50% | 0.497 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.5 | -35 | -178.2 | -67.2 | -25.6 | 0 | 0 | 0 | 112.2 | S310 V314 K315 E316 | S310-D312 PolarHBondContact O-N 3.39Å; D312-V314 PolarHBondContact O-N 3.18Å; D312-K315 PolarHBondContact O-N 3.48Å; D312-K315 IonicContact OD1-NZ 3.74Å; D312-E316 WeakPolarHBondContact O-CB 3.26Å; D312-E316 PolarHBondContact O-N 3.04Å |
| 313 | Q | 73.6 | Confident | 77.8 | Confident | 108 Ų | 108 | 102.1 Ų | 102.1 | 51% | 0.505 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.8 | -33 | 171.3 | -92.1 | -147.8 | -8.8 | 0 | 0 | 112.8 | G311 N317 | G311-Q313 PolarHBondContact O-N 2.89Å; Q313-N317 VanDerWaalsContact O-CB 3.23Å; Q313-N317 WeakPolarHBondContact O-CB 3.25Å; Q313-N317 PolarHBondContact O-N 3.16Å; Q313-N317 PolarHBondContact O-ND2 3.1Å |
| 314 | V | 79.3 | Confident | 79 | Confident | 82 Ų | 82 | 100.1 Ų | 100.1 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.7 | -44.6 | 179.4 | -179 | 0 | 0 | 0 | 0 | 109.5 | G311 D312 N317 E318 | G311-V314 WeakPolarHBondContact O-CB 3.42Å; G311-V314 PolarHBondContact O-N 3.49Å; G311-V314 VanDerWaalsContact O-N 3.13Å; D312-V314 PolarHBondContact O-N 3.18Å; V314-N317 PolarHBondContact O-N 3.42Å; V314-E318 WeakPolarHBondContact O-CG 3.38Å; V314-E318 PolarHBondContact O-N 2.89Å |
| 315 | K | 85.8 | Confident | 80.1 | Confident | 138 Ų | 138 | 103.4 Ų | 103.4 | 60% | 0.6 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63 | -42.5 | 176.1 | -62.6 | 174.8 | -172.6 | 161.5 | 0 | 112 | G311 D312 E318 L319 | G311-K315 PolarHBondContact O-N 2.81Å; D312-K315 PolarHBondContact O-N 3.48Å; D312-K315 IonicContact OD1-NZ 3.74Å; K315-E318 PolarHBondContact O-N 3.07Å; K315-L319 PolarHBondContact O-N 3.43Å |
| 316 | E | 85.6 | Confident | 81.3 | Confident | 97 Ų | 97 | 107.1 Ų | 107.1 | 45% | 0.453 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 176.9 | -173 | -178.9 | -176.1 | 0 | 0 | 111.3 | D312 E318 L319 Y320 | D312-E316 WeakPolarHBondContact O-CB 3.26Å; D312-E316 PolarHBondContact O-N 3.04Å; E316-E318 PolarHBondContact O-N 3.17Å; E316-L319 WeakPolarHBondContact O-CB 3.42Å; E316-L319 PolarHBondContact O-N 3.07Å; E316-Y320 HydrophobicContact CG-CD2 3.82Å; E316-Y320 HydrophobicContact CG-CE2 3.57Å; E316-Y320 WeakPolarHBondContact O-CD2 3.37Å; E316-Y320 PolarHBondContact O-N 3.42Å; E316-Y320 WeakPolarHBondContact OE1-CE2 3.46Å |
| 317 | N | 85.3 | Confident | 82.6 | Confident | 89 Ų | 89 | 103.2 Ų | 103.2 | 48% | 0.476 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.8 | -35.5 | 176.6 | -78.3 | -43.4 | 0 | 0 | 0 | 113 | Q313 V314 R321 | Q313-N317 VanDerWaalsContact O-CB 3.23Å; Q313-N317 WeakPolarHBondContact O-CB 3.25Å; Q313-N317 PolarHBondContact O-N 3.16Å; Q313-N317 PolarHBondContact O-ND2 3.1Å; V314-N317 PolarHBondContact O-N 3.42Å; N317-R321 WeakPolarHBondContact O-CB 3.33Å; N317-R321 WeakPolarHBondContact O-CG 3.36Å; N317-R321 PolarHBondContact O-N 3.42Å |
| 318 | E | 90.3 | Very high | 83.9 | Confident | 124 Ų | 124 | 109 Ų | 109 | 58% | 0.579 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.4 | -40.9 | 173.4 | -75.3 | 177 | 179.6 | 0 | 0 | 111.8 | V314 K315 E316 R321 S322 | V314-E318 WeakPolarHBondContact O-CG 3.38Å; V314-E318 PolarHBondContact O-N 2.89Å; K315-E318 PolarHBondContact O-N 3.07Å; E316-E318 PolarHBondContact O-N 3.17Å; E318-R321 WeakPolarHBondContact O-CB 3.3Å; E318-R321 PolarHBondContact O-N 3.5Å; E318-S322 PolarHBondContact O-N 3.28Å |
| 319 | L | 92.3 | Very high | 85.2 | Confident | 106 Ų | 106 | 109.4 Ų | 109.4 | 56% | 0.555 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.7 | -44.8 | 173.5 | -172.1 | 68.8 | 0 | 0 | 0 | 111.4 | K315 E316 R321 S322 I323 | K315-L319 PolarHBondContact O-N 3.43Å; E316-L319 WeakPolarHBondContact O-CB 3.42Å; E316-L319 PolarHBondContact O-N 3.07Å; L319-R321 VanDerWaalsContact C-N 3.3Å; L319-R321 PolarHBondContact O-N 2.86Å; L319-S322 PolarHBondContact O-N 2.98Å; L319-S322 PolarHBondContact O-OG 3.32Å; L319-I323 HydrophobicContact CD1-CD1 4.49Å; L319-I323 HydrophobicContact CG-CD1 4.01Å; L319-I323 VanDerWaalsContact O-CG1 3.29Å; L319-I323 WeakPolarHBondContact O-CG1 3.43Å; L319-I323 PolarHBondContact O-N 3.45Å |
| 320 | Y | 90.8 | Very high | 86.5 | Confident | 146 Ų | 146 | 108.2 Ų | 108.2 | 57% | 0.573 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.9 | -38 | 174.4 | -83.7 | -62.4 | 0 | 0 | 0 | 112.3 | E316 K324 | E316-Y320 HydrophobicContact CG-CD2 3.82Å; E316-Y320 HydrophobicContact CG-CE2 3.57Å; E316-Y320 WeakPolarHBondContact O-CD2 3.37Å; E316-Y320 PolarHBondContact O-N 3.42Å; E316-Y320 WeakPolarHBondContact OE1-CE2 3.46Å; Y320-K324 VanDerWaalsContact O-CB 3.23Å; Y320-K324 WeakPolarHBondContact O-CB 3.47Å; Y320-K324 PolarHBondContact O-N 3.18Å |
| 321 | R | 90.6 | Very high | 87.6 | Confident | 199 Ų | 199 | 109.6 Ų | 109.6 | 75% | 0.751 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.4 | -41.7 | 174.4 | -85.2 | 177.6 | 161.7 | -114.5 | 0.6 | 112.1 | N317 E318 L319 K324 K325 | N317-R321 WeakPolarHBondContact O-CB 3.33Å; N317-R321 WeakPolarHBondContact O-CG 3.36Å; N317-R321 PolarHBondContact O-N 3.42Å; E318-R321 WeakPolarHBondContact O-CB 3.3Å; E318-R321 PolarHBondContact O-N 3.5Å; L319-R321 VanDerWaalsContact C-N 3.3Å; L319-R321 PolarHBondContact O-N 2.86Å; R321-K324 PolarHBondContact O-N 3.29Å; R321-K325 WeakPolarHBondContact O-CB 3.36Å; R321-K325 PolarHBondContact O-N 3.21Å |
| 322 | S | 93.1 | Very high | 88.3 | Confident | 63 Ų | 63 | 113.5 Ų | 113.5 | 44% | 0.441 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.2 | -44.3 | -179.8 | 72.3 | 0 | 0 | 0 | 0 | 111.4 | E318 L319 K324 K325 Y326 | E318-S322 PolarHBondContact O-N 3.28Å; L319-S322 PolarHBondContact O-N 2.98Å; L319-S322 PolarHBondContact O-OG 3.32Å; S322-K324 PolarHBondContact O-N 3.27Å; S322-K325 WeakPolarHBondContact O-CB 3.41Å; S322-K325 PolarHBondContact O-N 3.42Å; S322-Y326 PolarHBondContact O-N 3.45Å |
| 323 | I | 94.6 | Very high | 88.4 | Confident | 86 Ų | 86 | 115 Ų | 115 | 44% | 0.441 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 175 | -67 | 167.6 | 0 | 0 | 0 | 110.5 | L319 K325 Y326 M327 | L319-I323 HydrophobicContact CD1-CD1 4.49Å; L319-I323 HydrophobicContact CG-CD1 4.01Å; L319-I323 VanDerWaalsContact O-CG1 3.29Å; L319-I323 WeakPolarHBondContact O-CG1 3.43Å; L319-I323 PolarHBondContact O-N 3.45Å; I323-K325 VanDerWaalsContact C-N 3.3Å; I323-K325 PolarHBondContact O-N 3.45Å; I323-Y326 PolarHBondContact O-N 3.14Å; I323-M327 HydrophobicContact CG2-CG 4.33Å; I323-M327 WeakPolarHBondContact O-CB 3.46Å; I323-M327 VanDerWaalsContact O-CG 3.29Å; I323-M327 WeakPolarHBondContact O-CG 3.43Å; I323-M327 PolarHBondContact O-N 2.98Å |
| 324 | K | 93.6 | Very high | 88.7 | Confident | 144 Ų | 144 | 118.8 Ų | 118.8 | 63% | 0.626 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.3 | -33.5 | 179.9 | -162.4 | 168.9 | -168.6 | 168.2 | 0 | 112.5 | Y320 R321 S322 R328 | Y320-K324 VanDerWaalsContact O-CB 3.23Å; Y320-K324 WeakPolarHBondContact O-CB 3.47Å; Y320-K324 PolarHBondContact O-N 3.18Å; R321-K324 PolarHBondContact O-N 3.29Å; S322-K324 PolarHBondContact O-N 3.27Å; K324-R328 WeakPolarHBondContact O-CB 3.2Å; K324-R328 PolarHBondContact O-N 3.47Å |
| 325 | K | 91.4 | Very high | 88.6 | Confident | 151 Ų | 151 | 119.2 Ų | 119.2 | 66% | 0.657 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.5 | -44.3 | 173.1 | -169.2 | 179.9 | -178.8 | -175.4 | 0 | 110.8 | R321 S322 I323 R328 V329 | R321-K325 WeakPolarHBondContact O-CB 3.36Å; R321-K325 PolarHBondContact O-N 3.21Å; S322-K325 WeakPolarHBondContact O-CB 3.41Å; S322-K325 PolarHBondContact O-N 3.42Å; I323-K325 VanDerWaalsContact C-N 3.3Å; I323-K325 PolarHBondContact O-N 3.45Å; K325-R328 PolarHBondContact O-N 2.93Å; K325-V329 WeakPolarHBondContact O-CG2 3.47Å; K325-V329 PolarHBondContact O-N 3.45Å |
| 326 | Y | 93.7 | Very high | 88 | Confident | 159 Ų | 159 | 116.1 Ų | 116.1 | 62% | 0.624 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61 | -49.1 | 176.5 | -179.9 | -95 | 0 | 0 | 0 | 111.8 | S322 I323 R328 V329 Q330 | S322-Y326 PolarHBondContact O-N 3.45Å; I323-Y326 PolarHBondContact O-N 3.14Å; Y326-R328 VanDerWaalsContact C-N 3.33Å; Y326-R328 PolarHBondContact O-N 3.1Å; Y326-V329 PolarHBondContact O-N 3.44Å; Y326-V329 VanDerWaalsContact O-N 3.15Å; Y326-Q330 PolarHBondContact O-N 2.91Å |
| 327 | M | 92.8 | Very high | 87.3 | Confident | 86 Ų | 86 | 115.8 Ų | 115.8 | 42% | 0.424 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -57.5 | -44.5 | 176.3 | -70.6 | -105.7 | 63 | 0 | 0 | 111.9 | I323 V329 Q330 D331 | I323-M327 HydrophobicContact CG2-CG 4.33Å; I323-M327 WeakPolarHBondContact O-CB 3.46Å; I323-M327 VanDerWaalsContact O-CG 3.29Å; I323-M327 WeakPolarHBondContact O-CG 3.43Å; I323-M327 PolarHBondContact O-N 2.98Å; M327-V329 PolarHBondContact O-N 3.42Å; M327-Q330 PolarHBondContact O-N 3.4Å; M327-D331 WeakPolarHBondContact O-CB 3.38Å; M327-D331 PolarHBondContact O-N 2.93Å |
| 328 | R | 91.3 | Very high | 86.7 | Confident | 171 Ų | 171 | 114.9 Ų | 114.9 | 65% | 0.645 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.9 | -41.6 | 176.8 | -176.8 | -175.3 | -63.9 | 170.2 | -1.6 | 112.6 | K324 K325 Y326 L332 | K324-R328 WeakPolarHBondContact O-CB 3.2Å; K324-R328 PolarHBondContact O-N 3.47Å; K325-R328 PolarHBondContact O-N 2.93Å; Y326-R328 VanDerWaalsContact C-N 3.33Å; Y326-R328 PolarHBondContact O-N 3.1Å; R328-L332 VanDerWaalsContact O-CB 3.25Å; R328-L332 WeakPolarHBondContact O-CB 3.33Å; R328-L332 PolarHBondContact O-N 3.41Å |
| 329 | V | 90.6 | Very high | 85.8 | Confident | 75 Ų | 75 | 112.3 Ų | 112.3 | 46% | 0.455 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.4 | -42.2 | 177.9 | 169.9 | 0 | 0 | 0 | 0 | 110.3 | K325 Y326 M327 L332 L333 | K325-V329 WeakPolarHBondContact O-CG2 3.47Å; K325-V329 PolarHBondContact O-N 3.45Å; Y326-V329 PolarHBondContact O-N 3.44Å; Y326-V329 VanDerWaalsContact O-N 3.15Å; M327-V329 PolarHBondContact O-N 3.42Å; V329-L332 PolarHBondContact O-N 2.79Å; V329-L333 HydrophobicContact CG1-CD1 4Å; V329-L333 HydrophobicContact CG1-CG 4.5Å; V329-L333 WeakPolarHBondContact O-CB 3.44Å; V329-L333 WeakPolarHBondContact O-CG 3.36Å; V329-L333 PolarHBondContact O-N 3.01Å |
| 330 | Q | 89.2 | Confident | 84.7 | Confident | 59 Ų | 59 | 112.3 Ų | 112.3 | 28% | 0.276 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.1 | -44.1 | 178 | -168.6 | 177.9 | 16.4 | 0 | 0 | 112 | Y326 M327 L333 R334 | Y326-Q330 PolarHBondContact O-N 2.91Å; M327-Q330 PolarHBondContact O-N 3.4Å; Q330-L333 PolarHBondContact O-N 2.84Å; Q330-R334 WeakPolarHBondContact O-CB 3.45Å; Q330-R334 WeakPolarHBondContact O-CG 3.3Å; Q330-R334 PolarHBondContact O-N 3.36Å |
| 331 | D | 87.6 | Confident | 83.6 | Confident | 95 Ų | 95 | 109.3 Ų | 109.3 | 51% | 0.508 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.7 | -39.9 | 175.1 | -75.6 | -14.7 | 0 | 0 | 0 | 111.6 | M327 R334 S335 | M327-D331 WeakPolarHBondContact O-CB 3.38Å; M327-D331 PolarHBondContact O-N 2.93Å; D331-R334 PolarHBondContact O-N 3.36Å; D331-S335 VanDerWaalsContact O-CB 3.23Å; D331-S335 WeakPolarHBondContact O-CB 3.49Å; D331-S335 PolarHBondContact O-N 3Å; D331-S335 PolarHBondContact O-OG 2.81Å |
| 332 | L | 84.2 | Confident | 82.6 | Confident | 112 Ų | 112 | 102.5 Ų | 102.5 | 59% | 0.586 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.6 | -43.8 | 176.2 | -171.2 | 63.2 | 0 | 0 | 0 | 111 | R328 V329 S335 S336 | R328-L332 VanDerWaalsContact O-CB 3.25Å; R328-L332 WeakPolarHBondContact O-CB 3.33Å; R328-L332 PolarHBondContact O-N 3.41Å; V329-L332 PolarHBondContact O-N 2.79Å; L332-S335 WeakPolarHBondContact CA-OG 3.48Å; L332-S335 PolarHBondContact O-N 2.88Å; L332-S335 PolarHBondContact O-OG 3.48Å; L332-S336 WeakPolarHBondContact O-CB 3.45Å; L332-S336 PolarHBondContact O-N 2.98Å; L332-S336 PolarHBondContact O-OG 2.97Å |
| 333 | L | 81.8 | Confident | 81.5 | Confident | 126 Ų | 126 | 103.7 Ų | 103.7 | 66% | 0.66 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.8 | -39 | 176.2 | -75.1 | 168.9 | 0 | 0 | 0 | 112.7 | V329 Q330 S336 | V329-L333 HydrophobicContact CG1-CD1 4Å; V329-L333 HydrophobicContact CG1-CG 4.5Å; V329-L333 WeakPolarHBondContact O-CB 3.44Å; V329-L333 WeakPolarHBondContact O-CG 3.36Å; V329-L333 PolarHBondContact O-N 3.01Å; Q330-L333 PolarHBondContact O-N 2.84Å; L333-S336 PolarHBondContact O-OG 3.02Å |
| 334 | R | 78.3 | Confident | 80 | Confident | 186 Ų | 186 | 103.5 Ų | 103.5 | 70% | 0.702 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.9 | -37.6 | 176.1 | -74.4 | -177.2 | -180 | -103.3 | 3.9 | 112.3 | Q330 D331 | Q330-R334 WeakPolarHBondContact O-CB 3.45Å; Q330-R334 WeakPolarHBondContact O-CG 3.3Å; Q330-R334 PolarHBondContact O-N 3.36Å; D331-R334 PolarHBondContact O-N 3.36Å |
| 335 | S | 78.4 | Confident | 78.6 | Confident | 92 Ų | 92 | 102.4 Ų | 102.4 | 64% | 0.643 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -83.5 | -23.1 | -179.2 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | D331 L332 S337 | D331-S335 VanDerWaalsContact O-CB 3.23Å; D331-S335 WeakPolarHBondContact O-CB 3.49Å; D331-S335 PolarHBondContact O-N 3Å; D331-S335 PolarHBondContact O-OG 2.81Å; L332-S335 WeakPolarHBondContact CA-OG 3.48Å; L332-S335 PolarHBondContact O-N 2.88Å; L332-S335 PolarHBondContact O-OG 3.48Å; S335-S337 PolarHBondContact O-N 3.12Å |
| 336 | S | 72.6 | Confident | 77.3 | Confident | 73 Ų | 73 | 102 Ų | 102 | 51% | 0.51 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 25.4 | 176.5 | 72.7 | 0 | 0 | 0 | 0 | 113.7 | L332 L333 E338 | L332-S336 WeakPolarHBondContact O-CB 3.45Å; L332-S336 PolarHBondContact O-N 2.98Å; L332-S336 PolarHBondContact O-OG 2.97Å; L333-S336 PolarHBondContact O-OG 3.02Å; S336-E338 PolarHBondContact O-N 3.14Å |
| 337 | S | 71.9 | Confident | 75.8 | Confident | 89 Ų | 89 | 99.8 Ų | 99.8 | 62% | 0.622 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 127.1 | 170.8 | 177.2 | 0 | 0 | 0 | 0 | 109.3 | S335 | S335-S337 PolarHBondContact O-N 3.12Š|
| 338 | E | 71 | Confident | 74.2 | Confident | 70 Ų | 70 | 100.6 Ų | 100.6 | 33% | 0.327 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 144.1 | 173.9 | -67.5 | -169.5 | 168.8 | 0 | 0 | 109.9 | S336 M342 | S336-E338 PolarHBondContact O-N 3.14Å; E338-M342 HydrophobicContact CB-CB 4.1Å; E338-M342 HydrophobicContact CG-CE 4.17Å |
| 339 | P | 71.4 | Confident | 72.5 | Confident | 70 Ų | 70 | 97 Ų | 97 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 146.3 | 174.4 | -21.7 | 30.2 | 0 | 0 | 0 | 110.8 | S341 M342 L343 | P339-S341 PolarHBondContact O-N 3.47Å; P339-M342 WeakPolarHBondContact O-CB 3.45Å; P339-M342 PolarHBondContact O-N 3.13Å; P339-L343 PolarHBondContact O-N 2.99Å |
| 340 | P | 69.5 | Low | 70.9 | Confident | 107 Ų | 107 | 103.8 Ų | 103.8 | 70% | 0.695 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -51.7 | -29.1 | -179.3 | -28.9 | 34.9 | 0 | 0 | 0 | 114.5 | T344 | P340-T344 WeakPolarHBondContact O-CG2 3.47Å; P340-T344 PolarHBondContact O-N 3.49Å; P340-T344 PolarHBondContact O-OG1 2.98Å |
| 341 | S | 68.9 | Low | 69.4 | Low | 83 Ų | 83 | 109.5 Ų | 109.5 | 58% | 0.58 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -71.5 | -25.8 | 176.3 | 66.9 | 0 | 0 | 0 | 0 | 114.6 | P339 T344 R345 | P339-S341 PolarHBondContact O-N 3.47Å; S341-T344 PolarHBondContact O-OG1 3.18Å; S341-R345 PolarHBondContact O-N 3.15Å |
| 342 | M | 68.2 | Low | 67.9 | Low | 56 Ų | 56 | 113 Ų | 113 | 28% | 0.276 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -80.8 | -36.7 | 174.8 | -75.6 | -166.2 | 41.3 | 0 | 0 | 111.7 | E338 P339 R345 R346 | E338-M342 HydrophobicContact CB-CB 4.1Å; E338-M342 HydrophobicContact CG-CE 4.17Å; P339-M342 WeakPolarHBondContact O-CB 3.45Å; P339-M342 PolarHBondContact O-N 3.13Å; M342-R345 PolarHBondContact O-N 3.09Å; M342-R346 WeakPolarHBondContact O-CG 3.44Å; M342-R346 PolarHBondContact O-N 3.37Å |
| 343 | L | 69.8 | Low | 66.3 | Low | 88 Ų | 88 | 113.8 Ų | 113.8 | 46% | 0.461 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.5 | -43.8 | 172.5 | -86.7 | 154.3 | 0 | 0 | 0 | 111.8 | P339 R346 L347 | P339-L343 PolarHBondContact O-N 2.99Å; L343-R346 PolarHBondContact O-N 2.91Å; L343-L347 WeakPolarHBondContact O-CG 3.35Å; L343-L347 PolarHBondContact O-N 3.46Å; L343-L347 VanDerWaalsContact O-N 3.14Å |
| 344 | T | 63.7 | Low | 64.5 | Low | 81 Ų | 81 | 117.3 Ų | 117.3 | 50% | 0.497 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.7 | -34.8 | 176.7 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | P340 S341 L347 N348 | P340-T344 WeakPolarHBondContact O-CG2 3.47Å; P340-T344 PolarHBondContact O-N 3.49Å; P340-T344 PolarHBondContact O-OG1 2.98Å; S341-T344 PolarHBondContact O-OG1 3.18Å; T344-L347 PolarHBondContact O-N 3.35Å; T344-N348 PolarHBondContact O-N 3.49Å; T344-N348 PolarHBondContact O-ND2 3.3Å |
| 345 | R | 65.2 | Low | 62.7 | Low | 121 Ų | 121 | 117.5 Ų | 117.5 | 46% | 0.457 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.6 | -43.8 | 173.8 | -164.1 | 180 | 72.2 | -117.8 | 2.2 | 111.9 | S341 M342 L347 N348 D349 | S341-R345 PolarHBondContact O-N 3.15Å; M342-R345 PolarHBondContact O-N 3.09Å; R345-L347 VanDerWaalsContact C-N 3.33Å; R345-L347 PolarHBondContact O-N 2.83Å; R345-N348 WeakPolarHBondContact O-CB 3.44Å; R345-N348 PolarHBondContact O-N 2.99Å; R345-N348 VanDerWaalsContact O-N 3.12Å; R345-D349 PolarHBondContact O-N 3.29Å |
| 346 | R | 62.9 | Low | 61.2 | Low | 144 Ų | 144 | 120.8 Ų | 120.8 | 54% | 0.543 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.2 | -36.1 | 176.3 | -73.8 | -77.9 | -167.7 | -177.6 | 0.5 | 113.2 | M342 L343 N348 D349 R350 | M342-R346 WeakPolarHBondContact O-CG 3.44Å; M342-R346 PolarHBondContact O-N 3.37Å; L343-R346 PolarHBondContact O-N 2.91Å; R346-N348 VanDerWaalsContact C-N 3.31Å; R346-D349 PolarHBondContact O-N 2.97Å; R346-R350 PolarHBondContact O-N 3.44Å; R346-R350 VanDerWaalsContact O-N 3.13Å |
| 347 | L | 62.6 | Low | 59.9 | Low | 111 Ų | 111 | 123 Ų | 123 | 58% | 0.581 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68.9 | -30.5 | 175.2 | -68.9 | 174.2 | 0 | 0 | 0 | 112.3 | L343 T344 R345 | L343-L347 WeakPolarHBondContact O-CG 3.35Å; L343-L347 PolarHBondContact O-N 3.46Å; L343-L347 VanDerWaalsContact O-N 3.14Å; T344-L347 PolarHBondContact O-N 3.35Å; R345-L347 VanDerWaalsContact C-N 3.33Å; R345-L347 PolarHBondContact O-N 2.83Å |
| 348 | N | 58.9 | Low | 58.5 | Low | 104 Ų | 104 | 122.1 Ų | 122.1 | 56% | 0.556 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -75.9 | -35.9 | 173.2 | -69.5 | -32.9 | 0 | 0 | 0 | 112.4 | T344 R345 R346 R350 K351 | T344-N348 PolarHBondContact O-N 3.49Å; T344-N348 PolarHBondContact O-ND2 3.3Å; R345-N348 WeakPolarHBondContact O-CB 3.44Å; R345-N348 PolarHBondContact O-N 2.99Å; R345-N348 VanDerWaalsContact O-N 3.12Å; R346-N348 VanDerWaalsContact C-N 3.31Å; N348-R350 VanDerWaalsContact C-N 3.33Å; N348-R350 PolarHBondContact O-N 3.38Å; N348-K351 PolarHBondContact O-N 3.13Å |
| 349 | D | 56.9 | Low | 57.6 | Low | 94 Ų | 94 | 127.7 Ų | 127.7 | 50% | 0.503 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -67.9 | -32 | 176.5 | -69 | -28.3 | 0 | 0 | 0 | 112.3 | R345 R346 K351 K352 | R345-D349 PolarHBondContact O-N 3.29Å; R346-D349 PolarHBondContact O-N 2.97Å; D349-K351 PolarHBondContact O-N 2.87Å; D349-K352 PolarHBondContact O-N 3.36Å |
| 350 | R | 55.9 | Low | 56.8 | Low | 219 Ų | 219 | 127.6 Ų | 127.6 | 83% | 0.826 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -9.3 | 174.2 | -84.9 | -175.9 | 164.6 | -173.1 | -3.4 | 114.5 | R346 N348 | R346-R350 PolarHBondContact O-N 3.44Å; R346-R350 VanDerWaalsContact O-N 3.13Å; N348-R350 VanDerWaalsContact C-N 3.33Å; N348-R350 PolarHBondContact O-N 3.38Å |
| 351 | K | 57.2 | Low | 56 | Low | 178 Ų | 178 | 132.1 Ų | 132.1 | 77% | 0.774 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 2.3 | 174.2 | -68.6 | -169.5 | 177.3 | -177.3 | 0 | 113.8 | N348 D349 | N348-K351 PolarHBondContact O-N 3.13Å; D349-K351 PolarHBondContact O-N 2.87Å |
| 352 | K | 56.7 | Low | 55.6 | Low | 168 Ų | 168 | 134.9 Ų | 134.9 | 73% | 0.73 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -104.8 | 135 | 171.9 | -63.2 | -131.9 | 177 | -175.9 | 0 | 110.1 | D349 K354 | D349-K352 PolarHBondContact O-N 3.36Å; K352-K354 PolarHBondContact O-N 3.34Å |
| 353 | P | 50.9 | Low | 55.3 | Low | 130 Ų | 130 | 139.5 Ų | 139.5 | 84% | 0.844 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 133.2 | -175.8 | 26.1 | -32.4 | 0 | 0 | 0 | 110.1 | ||
| 354 | K | 43.5 | Very low | 55.2 | Low | 200 Ų | 200 | 144.2 Ų | 144.2 | 87% | 0.87 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 133.5 | -179.7 | -70.6 | 176.9 | 175.2 | 178.9 | 0 | 110.8 | K352 | K352-K354 PolarHBondContact O-N 3.34Š|
| 355 | H | 39.6 | Very low | 55.4 | Low | 189 Ų | 189 | 144.4 Ų | 144.4 | 88% | 0.875 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 129.1 | 155.3 | -132.4 | -84.1 | 0 | 0 | 0 | 107.2 | ||
| 356 | E | 48.2 | Very low | 55.6 | Low | 161 Ų | 161 | 147.6 Ų | 147.6 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 143.7 | -178.3 | -73.2 | -70 | 143.3 | 0 | 0 | 112.6 | G358 | E356-G358 PolarHBondContact O-N 2.77Š|
| 357 | P | 46.1 | Very low | 55.7 | Low | 120 Ų | 120 | 147.4 Ų | 147.4 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | trans | -77.4 | 107 | 179.6 | 31.2 | -29.2 | 0 | 0 | 0 | 110.1 | ||||
| 358 | G | 41.7 | Very low | 56.1 | Low | 70 Ų | 70 | 148.2 Ų | 148.2 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | -64.5 | 152 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E356 | E356-G358 PolarHBondContact O-N 2.77Š| ||
| 359 | E | 52.1 | Low | 56.4 | Low | 188 Ų | 188 | 155 Ų | 155 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | -40.4 | 149.7 | -171.9 | -70.7 | 167.9 | 127.1 | 0 | 0 | 117.1 | F361 | E359-F361 PolarHBondContact O-N 3.31Š| ||
| 360 | G | 53.6 | Low | 57.3 | Low | 67 Ų | 67 | 158.5 Ų | 158.5 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | trans | -52.3 | 125.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T362 | G360-T362 PolarHBondContact O-N 3.11Š| ||
| 361 | F | 53.1 | Low | 58.2 | Low | 202 Ų | 202 | 153.7 Ų | 153.7 | 89% | 0.886 | 78% | 0.783 | S | S | * | * | trans | -53.2 | 112.9 | 168.1 | -66.6 | -84.4 | 0 | 0 | 0 | 110.1 | E359 H363 | E359-F361 PolarHBondContact O-N 3.31Å; F361-H363 PolarHBondContact O-N 2.88Å | ||
| 362 | T | 60.8 | Low | 59.3 | Low | 142 Ų | 142 | 148.7 Ų | 148.7 | 87% | 0.871 | 77% | 0.769 | S | S | * | * | trans | -75 | 3.5 | 178.5 | 45.4 | 0 | 0 | 0 | 0 | 113.8 | G360 K364 | G360-T362 PolarHBondContact O-N 3.11Å; T362-K364 PolarHBondContact O-N 3.31Å | ||
| 363 | H | 61.8 | Low | 60.5 | Low | 153 Ų | 153 | 145.4 Ų | 145.4 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | trans | -87.3 | 96.7 | -174.9 | -171.3 | -93.4 | 0 | 0 | 0 | 112 | F361 P365 | F361-H363 PolarHBondContact O-N 2.88Å; H363-P365 WeakPolarHBondContact O-CD 3.28Å | ||
| 364 | K | 68.8 | Low | 62.2 | Low | 187 Ų | 187 | 145.7 Ų | 145.7 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | trans | -94 | 107.9 | 165.1 | -66 | -179.1 | -177.3 | 175.5 | 0 | 108.4 | T362 Q366 | T362-K364 PolarHBondContact O-N 3.31Å; K364-Q366 PolarHBondContact O-N 3.42Å | ||
| 365 | P | 67.7 | Low | 64.2 | Low | 85 Ų | 85 | 141.7 Ų | 141.7 | 55% | 0.552 | 74% | 0.736 | S | S | * | * | trans | -62.9 | 124.3 | 174.3 | 26.3 | -31.9 | 0 | 0 | 0 | 108.7 | H363 I367 | H363-P365 WeakPolarHBondContact O-CD 3.28Å; P365-I367 VanDerWaalsContact C-N 3.31Å; P365-I367 PolarHBondContact O-N 3.14Å | ||
| 366 | Q | 67.8 | Low | 66.6 | Low | 188 Ų | 188 | 134.4 Ų | 134.4 | 88% | 0.879 | 71% | 0.709 | S | S | * | * | trans | -68.6 | 94.7 | 167.9 | -89.4 | 179.3 | -29.5 | 0 | 0 | 108 | K364 N368 | K364-Q366 PolarHBondContact O-N 3.42Å; Q366-N368 PolarHBondContact O-N 2.93Å | ||
| 367 | I | 66.8 | Low | 68.5 | Low | 139 Ų | 139 | 129.7 Ų | 129.7 | 71% | 0.713 | 69% | 0.693 | S | S | * | * | trans | -74.8 | 110.4 | 171.3 | -59.4 | 170.1 | 0 | 0 | 0 | 106.3 | P365 R369 | P365-I367 VanDerWaalsContact C-N 3.31Å; P365-I367 PolarHBondContact O-N 3.14Å; I367-R369 PolarHBondContact O-N 3.17Å | ||
| 368 | N | 69.3 | Low | 70.5 | Confident | 129 Ų | 129 | 130.4 Ų | 130.4 | 69% | 0.69 | 68% | 0.681 | S | S | * | * | trans | -55.2 | 109.6 | 173.6 | -69.1 | -29 | 0 | 0 | 0 | 108.6 | Q366 E370 | Q366-N368 PolarHBondContact O-N 2.93Å; N368-E370 VanDerWaalsContact C-N 3.29Å | ||
| 369 | R | 66.6 | Low | 72.9 | Confident | 245 Ų | 245 | 135.5 Ų | 135.5 | 93% | 0.925 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -74.2 | -24 | -175.6 | -70.7 | -171.4 | 169.7 | -173.1 | -3 | 112.8 | I367 | I367-R369 PolarHBondContact O-N 3.17Š|
| 370 | E | 75.7 | Confident | 74.8 | Confident | 169 Ų | 169 | 135.7 Ų | 135.7 | 79% | 0.79 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -108.8 | 134.3 | 179.6 | -65.2 | -174.8 | -178.2 | 0 | 0 | 109.5 | N368 P372 | N368-E370 VanDerWaalsContact C-N 3.29Å; E370-P372 VanDerWaalsContact O-CD 3.27Å; E370-P372 WeakPolarHBondContact O-CD 3.32Å |
| 371 | V | 74.9 | Confident | 76.5 | Confident | 117 Ų | 117 | 138.2 Ų | 138.2 | 71% | 0.709 | 66% | 0.664 | S | S | * | * | trans | -65.1 | 118.1 | 177.7 | 178.9 | 0 | 0 | 0 | 0 | 107.4 | D373 F374 | V371-D373 PolarHBondContact O-N 3.33Å; V371-F374 HydrophobicContact CG1-CD2 4.07Å; V371-F374 HydrophobicContact CG1-CE2 3.31Å; V371-F374 HydrophobicContact CG1-CZ 4.02Å | ||
| 372 | P | 80.4 | Confident | 78.2 | Confident | 74 Ų | 74 | 132.4 Ų | 132.4 | 48% | 0.481 | 64% | 0.639 | S | S | . | * | trans | -57.5 | 139.8 | 178.4 | -24.8 | 35.1 | 0 | 0 | 0 | 110.6 | E370 F374 | E370-P372 VanDerWaalsContact O-CD 3.27Å; E370-P372 WeakPolarHBondContact O-CD 3.32Å; P372-F374 WeakPolarHBondContact O-CD2 3.41Å; P372-F374 PolarHBondContact O-N 2.98Å | ||
| 373 | D | 82.2 | Confident | 79.5 | Confident | 99 Ų | 99 | 132.2 Ų | 132.2 | 53% | 0.529 | 63% | 0.626 | S | S | . | * | trans | -64.9 | 100.5 | 177.1 | -178.8 | -0.5 | 0 | 0 | 0 | 110.3 | V371 N375 A376 S377 | V371-D373 PolarHBondContact O-N 3.33Å; D373-N375 PolarHBondContact O-N 3.48Å; D373-N375 WeakPolarHBondContact OD1-CB 3.31Å; D373-N375 PolarHBondContact OD1-N 2.95Å; D373-A376 HydrophobicContact CB-CB 4.07Å; D373-A376 PolarHBondContact O-N 3.07Å; D373-A376 PolarHBondContact OD1-N 3.39Å; D373-A376 WeakPolarHBondContact OD2-CB 3.39Å; D373-S377 PolarHBondContact O-N 3.4Å | ||
| 374 | F | 85.1 | Confident | 80.7 | Confident | 135 Ų | 135 | 130.3 Ų | 130.3 | 59% | 0.592 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.4 | -25.6 | -179 | -64.4 | -68.3 | 0 | 0 | 0 | 112.7 | V371 P372 S377 Y378 | V371-F374 HydrophobicContact CG1-CD2 4.07Å; V371-F374 HydrophobicContact CG1-CE2 3.31Å; V371-F374 HydrophobicContact CG1-CZ 4.02Å; P372-F374 WeakPolarHBondContact O-CD2 3.41Å; P372-F374 PolarHBondContact O-N 2.98Å; F374-S377 WeakPolarHBondContact CA-OG 3.48Å; F374-S377 PolarHBondContact O-OG 3.43Å; F374-S377 VanDerWaalsContact O-OG 3.05Å; F374-Y378 WeakPolarHBondContact O-CB 3.27Å; F374-Y378 PolarHBondContact O-N 3.14Å |
| 375 | N | 86 | Confident | 81.4 | Confident | 116 Ų | 116 | 125.6 Ų | 125.6 | 62% | 0.62 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73.5 | -41.9 | 177.1 | -70.8 | -40.8 | 0 | 0 | 0 | 110.4 | D373 Y378 R379 | D373-N375 PolarHBondContact O-N 3.48Å; D373-N375 WeakPolarHBondContact OD1-CB 3.31Å; D373-N375 PolarHBondContact OD1-N 2.95Å; N375-Y378 PolarHBondContact O-N 2.93Å; N375-R379 WeakPolarHBondContact O-CB 3.36Å; N375-R379 VanDerWaalsContact O-CG 3.27Å; N375-R379 WeakPolarHBondContact O-CG 3.43Å; N375-R379 PolarHBondContact O-N 2.94Å |
| 376 | A | 90 | Very high | 82 | Confident | 37 Ų | 37 | 127.5 Ų | 127.5 | 31% | 0.306 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.2 | -41.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D373 R379 R380 | D373-A376 HydrophobicContact CB-CB 4.07Å; D373-A376 PolarHBondContact O-N 3.07Å; D373-A376 PolarHBondContact OD1-N 3.39Å; D373-A376 WeakPolarHBondContact OD2-CB 3.39Å; A376-R379 PolarHBondContact O-N 2.79Å; A376-R380 VanDerWaalsContact O-CG 3.29Å; A376-R380 WeakPolarHBondContact O-CG 3.45Å; A376-R380 PolarHBondContact O-N 3.39Å |
| 377 | S | 88.3 | Confident | 82.4 | Confident | 61 Ų | 61 | 126 Ų | 126 | 43% | 0.427 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.3 | -38.9 | 177.1 | 72.8 | 0 | 0 | 0 | 0 | 112.2 | D373 F374 R380 F381 | D373-S377 PolarHBondContact O-N 3.4Å; F374-S377 WeakPolarHBondContact CA-OG 3.48Å; F374-S377 PolarHBondContact O-OG 3.43Å; F374-S377 VanDerWaalsContact O-OG 3.05Å; S377-R380 PolarHBondContact O-N 3.2Å; S377-F381 WeakPolarHBondContact O-CB 3.41Å; S377-F381 PolarHBondContact O-N 3.36Å |
| 378 | Y | 88.1 | Confident | 82.7 | Confident | 135 Ų | 135 | 128.5 Ų | 128.5 | 53% | 0.529 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.3 | -42.8 | 174.8 | -175.5 | -109.2 | 0 | 0 | 0 | 112.2 | F374 N375 R380 F381 Q382 | F374-Y378 WeakPolarHBondContact O-CB 3.27Å; F374-Y378 PolarHBondContact O-N 3.14Å; N375-Y378 PolarHBondContact O-N 2.93Å; Y378-R380 VanDerWaalsContact C-N 3.35Å; Y378-R380 PolarHBondContact O-N 3.15Å; Y378-F381 WeakPolarHBondContact O-CB 3.01Å; Y378-F381 PolarHBondContact O-N 3.33Å; Y378-Q382 HydrophobicContact CD1-CG 4.47Å; Y378-Q382 VanDerWaalsContact CE1-CD 3.42Å; Y378-Q382 HydrophobicContact CE1-CG 4.09Å; Y378-Q382 VanDerWaalsContact CE1-NE2 3.28Å; Y378-Q382 PolarHBondContact O-N 3.24Å; Y378-Q382 PolarHBondContact OH-NE2 3.47Å |
| 379 | R | 92.3 | Very high | 82.7 | Confident | 177 Ų | 177 | 130.9 Ų | 130.9 | 67% | 0.668 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.6 | -39.1 | 174.4 | -73.1 | 176.6 | -177.1 | -153.8 | 1.3 | 112.3 | N375 A376 F381 Q382 K383 | N375-R379 WeakPolarHBondContact O-CB 3.36Å; N375-R379 VanDerWaalsContact O-CG 3.27Å; N375-R379 WeakPolarHBondContact O-CG 3.43Å; N375-R379 PolarHBondContact O-N 2.94Å; A376-R379 PolarHBondContact O-N 2.79Å; R379-F381 VanDerWaalsContact C-N 3.34Å; R379-Q382 PolarHBondContact O-N 3.42Å; R379-K383 WeakPolarHBondContact O-CG 3.13Å; R379-K383 PolarHBondContact O-N 3.45Å |
| 380 | R | 92.3 | Very high | 82.3 | Confident | 193 Ų | 193 | 124.8 Ų | 124.8 | 73% | 0.728 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.5 | -42 | 173.8 | -73.9 | 174.8 | -178.3 | -159.7 | 1.3 | 111.1 | A376 S377 Y378 K383 Q384 | A376-R380 VanDerWaalsContact O-CG 3.29Å; A376-R380 WeakPolarHBondContact O-CG 3.45Å; A376-R380 PolarHBondContact O-N 3.39Å; S377-R380 PolarHBondContact O-N 3.2Å; Y378-R380 VanDerWaalsContact C-N 3.35Å; Y378-R380 PolarHBondContact O-N 3.15Å; R380-K383 PolarHBondContact O-N 2.85Å; R380-Q384 WeakPolarHBondContact O-CB 3.25Å; R380-Q384 PolarHBondContact O-N 3.3Å |
| 381 | F | 89.8 | Confident | 81.6 | Confident | 120 Ų | 120 | 122.9 Ų | 122.9 | 53% | 0.526 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.4 | -44.1 | 176.9 | 179.9 | -105.3 | 0 | 0 | 0 | 112.3 | S377 Y378 R379 Q384 L385 | S377-F381 WeakPolarHBondContact O-CB 3.41Å; S377-F381 PolarHBondContact O-N 3.36Å; Y378-F381 WeakPolarHBondContact O-CB 3.01Å; Y378-F381 PolarHBondContact O-N 3.33Å; R379-F381 VanDerWaalsContact C-N 3.34Å; F381-Q384 WeakPolarHBondContact O-CB 2.83Å; F381-Q384 PolarHBondContact O-N 3.08Å; F381-Q384 VanDerWaalsContact O-N 3.14Å; F381-L385 HydrophobicContact CD1-CD1 4.05Å; F381-L385 HydrophobicContact CD1-CG 4.49Å; F381-L385 HydrophobicContact CE1-CD1 3.48Å; F381-L385 VanDerWaalsContact CE1-CD1 3.48Å; F381-L385 HydrophobicContact CE1-CG 4.09Å; F381-L385 HydrophobicContact CZ-CD1 3.88Å; F381-L385 HydrophobicContact CZ-CD2 4.27Å; F381-L385 HydrophobicContact CZ-CG 4.11Å; F381-L385 PolarHBondContact O-N 3.23Å |
| 382 | Q | 87.4 | Confident | 81.2 | Confident | 79 Ų | 79 | 126.2 Ų | 126.2 | 37% | 0.369 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.7 | -46.2 | 174.3 | -77.8 | -176.4 | -37.4 | 0 | 0 | 112 | Y378 R379 Q384 L385 E386 | Y378-Q382 HydrophobicContact CD1-CG 4.47Å; Y378-Q382 VanDerWaalsContact CE1-CD 3.42Å; Y378-Q382 HydrophobicContact CE1-CG 4.09Å; Y378-Q382 VanDerWaalsContact CE1-NE2 3.28Å; Y378-Q382 PolarHBondContact O-N 3.24Å; Y378-Q382 PolarHBondContact OH-NE2 3.47Å; R379-Q382 PolarHBondContact O-N 3.42Å; Q382-Q384 PolarHBondContact O-N 2.86Å; Q382-L385 WeakPolarHBondContact O-CB 3.24Å; Q382-L385 PolarHBondContact O-N 3.48Å; Q382-E386 WeakPolarHBondContact O-CG 2.88Å; Q382-E386 PolarHBondContact O-N 2.86Å |
| 383 | K | 88.6 | Confident | 80.3 | Confident | 138 Ų | 138 | 128.8 Ų | 128.8 | 60% | 0.6 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.6 | -34.2 | 173.8 | -75.3 | -173.7 | 176.3 | -170.3 | 0 | 112.7 | R379 R380 K387 | R379-K383 WeakPolarHBondContact O-CG 3.13Å; R379-K383 PolarHBondContact O-N 3.45Å; R380-K383 PolarHBondContact O-N 2.85Å; K383-K387 VanDerWaalsContact O-CG 3.31Å; K383-K387 WeakPolarHBondContact O-CG 3.31Å; K383-K387 PolarHBondContact O-N 2.9Å |
| 384 | Q | 87.5 | Confident | 79.3 | Confident | 114 Ų | 114 | 130.5 Ų | 130.5 | 53% | 0.533 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68 | -37.4 | 175.1 | -162.4 | 103.9 | 11.4 | 0 | 0 | 111.7 | R380 F381 Q382 R388 | R380-Q384 WeakPolarHBondContact O-CB 3.25Å; R380-Q384 PolarHBondContact O-N 3.3Å; F381-Q384 WeakPolarHBondContact O-CB 2.83Å; F381-Q384 PolarHBondContact O-N 3.08Å; F381-Q384 VanDerWaalsContact O-N 3.14Å; Q382-Q384 PolarHBondContact O-N 2.86Å; Q384-R388 WeakPolarHBondContact O-CG 3.44Å; Q384-R388 PolarHBondContact O-N 3.38Å; Q384-R388 VanDerWaalsContact O-N 3.15Å |
| 385 | L | 82.6 | Confident | 78.2 | Confident | 87 Ų | 87 | 130.2 Ų | 130.2 | 46% | 0.455 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -68.3 | -42.4 | 175.2 | -74.5 | 178.8 | 0 | 0 | 0 | 111.6 | F381 Q382 R388 K389 | F381-L385 HydrophobicContact CD1-CD1 4.05Å; F381-L385 HydrophobicContact CD1-CG 4.49Å; F381-L385 HydrophobicContact CE1-CD1 3.48Å; F381-L385 VanDerWaalsContact CE1-CD1 3.48Å; F381-L385 HydrophobicContact CE1-CG 4.09Å; F381-L385 HydrophobicContact CZ-CD1 3.88Å; F381-L385 HydrophobicContact CZ-CD2 4.27Å; F381-L385 HydrophobicContact CZ-CG 4.11Å; F381-L385 PolarHBondContact O-N 3.23Å; Q382-L385 WeakPolarHBondContact O-CB 3.24Å; Q382-L385 PolarHBondContact O-N 3.48Å; L385-R388 CarbonylContact O-C 3.58Å; L385-R388 WeakPolarHBondContact O-CA 3.44Å; L385-R388 PolarHBondContact O-N 2.99Å; L385-K389 WeakPolarHBondContact O-CB 3.39Å; L385-K389 PolarHBondContact O-N 3.13Å |
| 386 | E | 80.9 | Confident | 77.1 | Confident | 126 Ų | 126 | 129 Ų | 129 | 59% | 0.589 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -59.9 | -46.7 | 175.7 | -73 | 169.7 | 177.3 | 0 | 0 | 111 | Q382 R388 K389 D390 | Q382-E386 WeakPolarHBondContact O-CG 2.88Å; Q382-E386 PolarHBondContact O-N 2.86Å; E386-R388 PolarHBondContact O-N 2.92Å; E386-K389 WeakPolarHBondContact O-CA 3.35Å; E386-K389 WeakPolarHBondContact O-CB 3.49Å; E386-K389 PolarHBondContact O-N 3.04Å; E386-D390 PolarHBondContact O-N 3.42Å |
| 387 | K | 76.4 | Confident | 75.8 | Confident | 157 Ų | 157 | 133.1 Ų | 133.1 | 68% | 0.683 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -61.5 | -23.2 | 172.8 | -72.1 | 179.8 | 178.9 | -167.8 | 0 | 114.7 | K383 | K383-K387 VanDerWaalsContact O-CG 3.31Å; K383-K387 WeakPolarHBondContact O-CG 3.31Å; K383-K387 PolarHBondContact O-N 2.9Å |
| 388 | R | 71.5 | Confident | 75 | Confident | 191 Ų | 191 | 138.2 Ų | 138.2 | 72% | 0.721 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -90.9 | -12.3 | 175.3 | -77.9 | -173.7 | 166.6 | -170.5 | -2.4 | 112.9 | Q384 L385 E386 | Q384-R388 WeakPolarHBondContact O-CG 3.44Å; Q384-R388 PolarHBondContact O-N 3.38Å; Q384-R388 VanDerWaalsContact O-N 3.15Å; L385-R388 CarbonylContact O-C 3.58Å; L385-R388 WeakPolarHBondContact O-CA 3.44Å; L385-R388 PolarHBondContact O-N 2.99Å; E386-R388 PolarHBondContact O-N 2.92Å |
| 389 | K | 69.3 | Low | 74.3 | Confident | 178 Ų | 178 | 137.9 Ų | 137.9 | 77% | 0.774 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -87.3 | -12.5 | 176 | -158.2 | -177.6 | 176.8 | -169.9 | 0 | 111.5 | L385 E386 V391 | L385-K389 WeakPolarHBondContact O-CB 3.39Å; L385-K389 PolarHBondContact O-N 3.13Å; E386-K389 WeakPolarHBondContact O-CA 3.35Å; E386-K389 WeakPolarHBondContact O-CB 3.49Å; E386-K389 PolarHBondContact O-N 3.04Å; K389-V391 PolarHBondContact O-N 3.35Å; K389-V391 VanDerWaalsContact O-N 3.1Å |
| 390 | D | 60 | Low | 73.2 | Confident | 117 Ų | 117 | 136.6 Ų | 136.6 | 63% | 0.626 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -52.3 | 118.1 | 163.2 | -63 | -27.3 | 0 | 0 | 0 | 108 | E386 K392 | E386-D390 PolarHBondContact O-N 3.42Å; D390-K392 PolarHBondContact O-N 3.49Å; D390-K392 VanDerWaalsContact O-N 3.1Å |
| 391 | V | 61.2 | Low | 72 | Confident | 130 Ų | 130 | 136.7 Ų | 136.7 | 79% | 0.788 | 70% | 0.697 | S | S | * | * | trans | -47.8 | 115.8 | -168.9 | 177.5 | 0 | 0 | 0 | 0 | 109.6 | K389 T393 | K389-V391 PolarHBondContact O-N 3.35Å; K389-V391 VanDerWaalsContact O-N 3.1Å; V391-T393 PolarHBondContact O-N 3.41Å | ||
| 392 | K | 64.5 | Low | 70.5 | Confident | 187 Ų | 187 | 136.5 Ų | 136.5 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | trans | -57.9 | 112.5 | 166.7 | -66.4 | 179.4 | -177.5 | 178.4 | 0 | 106.2 | D390 T394 | D390-K392 PolarHBondContact O-N 3.49Å; D390-K392 VanDerWaalsContact O-N 3.1Å; K392-T394 PolarHBondContact O-N 2.98Å | ||
| 393 | T | 62.8 | Low | 69.5 | Low | 127 Ų | 127 | 140.1 Ų | 140.1 | 78% | 0.779 | 72% | 0.716 | S | S | * | * | trans | -52 | 116.7 | 171.4 | 48.7 | 0 | 0 | 0 | 0 | 107.5 | V391 T395 | V391-T393 PolarHBondContact O-N 3.41Å; T393-T395 PolarHBondContact O-N 3.09Å | ||
| 394 | T | 60.8 | Low | 68.4 | Low | 136 Ų | 136 | 137.8 Ų | 137.8 | 83% | 0.834 | 71% | 0.713 | S | S | * | * | trans | -49.8 | 112.4 | -179.8 | -55 | 0 | 0 | 0 | 0 | 109 | K392 A396 | K392-T394 PolarHBondContact O-N 2.98Å; T394-A396 PolarHBondContact O-N 3Å; T394-A396 VanDerWaalsContact O-N 3.09Å | ||
| 395 | T | 62.8 | Low | 67.1 | Low | 128 Ų | 128 | 137.9 Ų | 137.9 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | -65.4 | 112.3 | 177.5 | -39.1 | 0 | 0 | 0 | 0 | 108 | T393 C397 | T393-T395 PolarHBondContact O-N 3.09Å; T395-C397 PolarHBondContact O-N 3.02Å | ||
| 396 | A | 61.8 | Low | 66.2 | Low | 92 Ų | 92 | 141.1 Ų | 141.1 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 125.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | T394 E398 | T394-A396 PolarHBondContact O-N 3Å; T394-A396 VanDerWaalsContact O-N 3.09Å; A396-E398 PolarHBondContact O-N 3.09Å |
| 397 | C | 62.2 | Low | 65.6 | Low | 122 Ų | 122 | 140.9 Ų | 140.9 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 120.5 | 178.6 | -62.7 | 0 | 0 | 0 | 0 | 110 | T395 | T395-C397 PolarHBondContact O-N 3.02Š|
| 398 | E | 73.1 | Confident | 65.1 | Low | 169 Ų | 169 | 138.8 Ų | 138.8 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 132.3 | 163.2 | -169.9 | -174.7 | -173 | 0 | 0 | 108.6 | A396 F400 | A396-E398 PolarHBondContact O-N 3.09Å; E398-F400 PolarHBondContact O-N 3.49Å |
| 399 | P | 72.1 | Confident | 65 | Low | 128 Ų | 128 | 134 Ų | 134 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -67 | 122.8 | 179.6 | 26.3 | -32.2 | 0 | 0 | 0 | 110.3 | ||
| 400 | F | 68.8 | Low | 65.1 | Low | 150 Ų | 150 | 130.1 Ų | 130.1 | 66% | 0.658 | 73% | 0.726 | S | S | * | * | trans | -117.1 | 143.1 | 175.1 | 64.5 | -83.7 | 0 | 0 | 0 | 110.8 | E398 L402 | E398-F400 PolarHBondContact O-N 3.49Å; F400-L402 HydrophobicContact CD2-CD2 4.31Å; F400-L402 HydrophobicContact CD2-CG 3.94Å; F400-L402 HydrophobicContact CE2-CD1 4Å; F400-L402 HydrophobicContact CE2-CD2 3.47Å; F400-L402 VanDerWaalsContact CE2-CD2 3.47Å; F400-L402 HydrophobicContact CE2-CG 3.42Å; F400-L402 VanDerWaalsContact CE2-CG 3.42Å; F400-L402 HydrophobicContact CZ-CD1 4.18Å; F400-L402 HydrophobicContact CZ-CD2 4.17Å; F400-L402 HydrophobicContact CZ-CG 4.1Å; F400-L402 PolarHBondContact O-N 3.07Å | ||
| 401 | E | 68.3 | Low | 66 | Low | 194 Ų | 194 | 133 Ų | 133 | 91% | 0.907 | 73% | 0.729 | S | S | * | * | trans | -75.4 | 107.7 | 178.3 | -76.3 | -179.1 | 162.2 | 0 | 0 | 111.3 | K403 | E401-K403 PolarHBondContact O-N 3.18Š| ||
| 402 | L | 57.9 | Low | 66.8 | Low | 116 Ų | 116 | 134.7 Ų | 134.7 | 61% | 0.607 | 73% | 0.728 | S | S | * | * | trans | -78.1 | 113.1 | 175.6 | -84.4 | 157.5 | 0 | 0 | 0 | 110.6 | F400 T404 | F400-L402 HydrophobicContact CD2-CD2 4.31Å; F400-L402 HydrophobicContact CD2-CG 3.94Å; F400-L402 HydrophobicContact CE2-CD1 4Å; F400-L402 HydrophobicContact CE2-CD2 3.47Å; F400-L402 VanDerWaalsContact CE2-CD2 3.47Å; F400-L402 HydrophobicContact CE2-CG 3.42Å; F400-L402 VanDerWaalsContact CE2-CG 3.42Å; F400-L402 HydrophobicContact CZ-CD1 4.18Å; F400-L402 HydrophobicContact CZ-CD2 4.17Å; F400-L402 HydrophobicContact CZ-CG 4.1Å; F400-L402 PolarHBondContact O-N 3.07Å; L402-T404 HydrophobicContact CB-CG2 4Å; L402-T404 PolarHBondContact O-N 2.97Å; L402-T404 PolarHBondContact O-OG1 3.35Å | ||
| 403 | K | 66.8 | Low | 67.7 | Low | 155 Ų | 155 | 133.7 Ų | 133.7 | 67% | 0.674 | 72% | 0.719 | S | S | * | * | trans | -71.9 | 47.5 | 173.5 | -62.2 | -177.1 | 179.2 | 176.7 | 0 | 113.1 | E401 S405 Q406 | E401-K403 PolarHBondContact O-N 3.18Å; K403-S405 PolarHBondContact O-N 3.1Å; K403-Q406 PolarHBondContact O-N 3.3Å | ||
| 404 | T | 65.6 | Low | 68.4 | Low | 90 Ų | 90 | 131.7 Ų | 131.7 | 55% | 0.552 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -68.9 | -17.7 | -178.1 | 48.2 | 0 | 0 | 0 | 0 | 113.4 | L402 Q406 I407 | L402-T404 HydrophobicContact CB-CG2 4Å; L402-T404 PolarHBondContact O-N 2.97Å; L402-T404 PolarHBondContact O-OG1 3.35Å; T404-Q406 PolarHBondContact O-N 3.07Å; T404-I407 PolarHBondContact O-N 3.1Å |
| 405 | S | 59.9 | Low | 69.5 | Low | 115 Ų | 115 | 129.9 Ų | 129.9 | 80% | 0.804 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -67.9 | -19.5 | 174.8 | 51.2 | 0 | 0 | 0 | 0 | 114.1 | K403 | K403-S405 PolarHBondContact O-N 3.1Š|
| 406 | Q | 64.5 | Low | 70.5 | Confident | 155 Ų | 155 | 125.7 Ų | 125.7 | 72% | 0.724 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -90.4 | -6.6 | 177.5 | -65.2 | -177.5 | -15.9 | 0 | 0 | 113.2 | K403 T404 | K403-Q406 PolarHBondContact O-N 3.3Å; T404-Q406 PolarHBondContact O-N 3.07Å |
| 407 | I | 66.8 | Low | 71.3 | Confident | 121 Ų | 121 | 125.4 Ų | 125.4 | 62% | 0.621 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -95.8 | 113.4 | -179.7 | -55.5 | 174.1 | 0 | 0 | 0 | 107 | T404 S409 | T404-I407 PolarHBondContact O-N 3.1Å; I407-S409 PolarHBondContact O-N 2.91Å |
| 408 | S | 67.6 | Low | 72.1 | Confident | 113 Ų | 113 | 123.3 Ų | 123.3 | 79% | 0.79 | 63% | 0.631 | S | S | * | * | trans | -56.5 | 125.1 | 176.9 | 59.6 | 0 | 0 | 0 | 0 | 109.5 | H410 | S408-H410 PolarHBondContact O-N 3.24Å; S408-H410 VanDerWaalsContact O-N 3.17Å | ||
| 409 | S | 67.8 | Low | 72.5 | Confident | 91 Ų | 91 | 121.9 Ų | 121.9 | 64% | 0.636 | 62% | 0.624 | S | S | * | * | trans | -63.3 | 123.7 | -173.5 | 66.3 | 0 | 0 | 0 | 0 | 109.4 | I407 R411 | I407-S409 PolarHBondContact O-N 2.91Å; S409-R411 PolarHBondContact O-N 2.92Å | ||
| 410 | H | 72.4 | Confident | 72.8 | Confident | 97 Ų | 97 | 122.1 Ų | 122.1 | 45% | 0.449 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.9 | 8.7 | 172.4 | -160.6 | 74 | 0 | 0 | 0 | 113.4 | S408 E412 R413 I414 | S408-H410 PolarHBondContact O-N 3.24Å; S408-H410 VanDerWaalsContact O-N 3.17Å; H410-E412 VanDerWaalsContact C-N 3.34Å; H410-E412 PolarHBondContact O-N 3.49Å; H410-R413 WeakPolarHBondContact CE1-CD 3.49Å; H410-R413 PolarHBondContact CE1-NE 3Å; H410-R413 PolarHBondContact CE1-NH1 3.31Å; H410-R413 PolarHBondContact O-N 2.86Å; H410-I414 HydrophobicContact CB-CD1 4.39Å; H410-I414 VanDerWaalsContact O-CG1 3.29Å; H410-I414 WeakPolarHBondContact O-CG1 3.45Å; H410-I414 PolarHBondContact O-N 2.83Å |
| 411 | R | 79.3 | Confident | 72.9 | Confident | 178 Ų | 178 | 118.3 Ų | 118.3 | 67% | 0.672 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -56.7 | -44.2 | -175.7 | -176.3 | 178 | 178.8 | 174.9 | -0.2 | 112.1 | S409 R413 I414 L415 | S409-R411 PolarHBondContact O-N 2.92Å; R411-R413 VanDerWaalsContact C-N 3.32Å; R411-R413 PolarHBondContact O-N 3.4Å; R411-I414 PolarHBondContact O-N 3.43Å; R411-L415 HydrophobicContact CG-CD1 4.15Å; R411-L415 HydrophobicContact CG-CG 4.46Å; R411-L415 VanDerWaalsContact O-CG 3.29Å; R411-L415 WeakPolarHBondContact O-CG 3.32Å; R411-L415 PolarHBondContact O-N 2.84Å |
| 412 | E | 78.3 | Confident | 73.1 | Confident | 165 Ų | 165 | 116.6 Ų | 116.6 | 77% | 0.771 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.9 | -37.5 | -179.6 | -167.4 | 174.7 | -168.6 | 0 | 0 | 111.8 | H410 L415 A416 | H410-E412 VanDerWaalsContact C-N 3.34Å; H410-E412 PolarHBondContact O-N 3.49Å; E412-L415 PolarHBondContact O-N 3.18Å; E412-A416 WeakPolarHBondContact O-CB 3.13Å; E412-A416 PolarHBondContact O-N 2.89Å |
| 413 | R | 81.5 | Confident | 73.8 | Confident | 165 Ų | 165 | 115.5 Ų | 115.5 | 62% | 0.623 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.7 | -36.5 | 174.8 | -173.7 | 151 | 163.9 | -157.6 | 6.1 | 112.2 | H410 R411 A416 D417 | H410-R413 WeakPolarHBondContact CE1-CD 3.49Å; H410-R413 PolarHBondContact CE1-NE 3Å; H410-R413 PolarHBondContact CE1-NH1 3.31Å; H410-R413 PolarHBondContact O-N 2.86Å; R411-R413 VanDerWaalsContact C-N 3.32Å; R411-R413 PolarHBondContact O-N 3.4Å; R413-A416 PolarHBondContact O-N 3.22Å; R413-D417 PolarHBondContact O-N 3.38Å |
| 414 | I | 78.4 | Confident | 73.9 | Confident | 86 Ų | 86 | 109.7 Ų | 109.7 | 44% | 0.441 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.5 | -43.8 | 173.7 | -66.5 | 163.4 | 0 | 0 | 0 | 110.6 | H410 R411 A416 D417 I418 | H410-I414 HydrophobicContact CB-CD1 4.39Å; H410-I414 VanDerWaalsContact O-CG1 3.29Å; H410-I414 WeakPolarHBondContact O-CG1 3.45Å; H410-I414 PolarHBondContact O-N 2.83Å; R411-I414 PolarHBondContact O-N 3.43Å; I414-A416 VanDerWaalsContact C-N 3.33Å; I414-A416 PolarHBondContact O-N 3.5Å; I414-D417 PolarHBondContact O-N 2.8Å; I414-I418 HydrophobicContact CG2-CD1 3.73Å; I414-I418 HydrophobicContact CG2-CG1 4.39Å; I414-I418 VanDerWaalsContact O-CG1 3.23Å; I414-I418 WeakPolarHBondContact O-CG1 3.28Å; I414-I418 PolarHBondContact O-N 3.48Å |
| 415 | L | 84.3 | Confident | 74 | Confident | 98 Ų | 98 | 109.8 Ų | 109.8 | 51% | 0.513 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.1 | -41 | 176.8 | -70.7 | 172.7 | 0 | 0 | 0 | 111.4 | R411 E412 D417 I418 E419 | R411-L415 HydrophobicContact CG-CD1 4.15Å; R411-L415 HydrophobicContact CG-CG 4.46Å; R411-L415 VanDerWaalsContact O-CG 3.29Å; R411-L415 WeakPolarHBondContact O-CG 3.32Å; R411-L415 PolarHBondContact O-N 2.84Å; E412-L415 PolarHBondContact O-N 3.18Å; L415-D417 PolarHBondContact O-N 2.82Å; L415-I418 PolarHBondContact O-N 2.77Å; L415-E419 WeakPolarHBondContact O-CB 3.27Å; L415-E419 PolarHBondContact O-N 3.22Å |
| 416 | A | 82.4 | Confident | 74 | Confident | 40 Ų | 40 | 114.4 Ų | 114.4 | 33% | 0.331 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.4 | -35.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E412 R413 I414 K420 | E412-A416 WeakPolarHBondContact O-CB 3.13Å; E412-A416 PolarHBondContact O-N 2.89Å; R413-A416 PolarHBondContact O-N 3.22Å; I414-A416 VanDerWaalsContact C-N 3.33Å; I414-A416 PolarHBondContact O-N 3.5Å; A416-K420 WeakPolarHBondContact O-CB 3.4Å; A416-K420 VanDerWaalsContact O-CG 3.3Å; A416-K420 WeakPolarHBondContact O-CG 3.48Å; A416-K420 PolarHBondContact O-N 2.76Å; A416-K420 VanDerWaalsContact O-N 3.08Å |
| 417 | D | 78.9 | Confident | 73.6 | Confident | 86 Ų | 86 | 113.9 Ų | 113.9 | 46% | 0.46 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -71.1 | -39.3 | 174.1 | -85.7 | -5.5 | 0 | 0 | 0 | 111.5 | R413 I414 L415 K420 D421 | R413-D417 PolarHBondContact O-N 3.38Å; I414-D417 PolarHBondContact O-N 2.8Å; L415-D417 PolarHBondContact O-N 2.82Å; D417-K420 PolarHBondContact O-N 3.07Å; D417-D421 PolarHBondContact O-N 2.84Å |
| 418 | I | 79.1 | Confident | 73 | Confident | 78 Ų | 78 | 111.5 Ų | 111.5 | 40% | 0.4 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.1 | -43.4 | 174.7 | -68.4 | 165.3 | 0 | 0 | 0 | 110.9 | I414 L415 K420 D421 Q422 | I414-I418 HydrophobicContact CG2-CD1 3.73Å; I414-I418 HydrophobicContact CG2-CG1 4.39Å; I414-I418 VanDerWaalsContact O-CG1 3.23Å; I414-I418 WeakPolarHBondContact O-CG1 3.28Å; I414-I418 PolarHBondContact O-N 3.48Å; L415-I418 PolarHBondContact O-N 2.77Å; I418-K420 VanDerWaalsContact C-N 3.33Å; I418-K420 PolarHBondContact O-N 3.34Å; I418-D421 PolarHBondContact O-N 2.93Å; I418-Q422 HydrophobicContact CG2-CG 4.47Å; I418-Q422 WeakPolarHBondContact O-CB 3.38Å; I418-Q422 VanDerWaalsContact O-CG 3.3Å; I418-Q422 WeakPolarHBondContact O-CG 3.37Å; I418-Q422 PolarHBondContact O-N 3.38Å |
| 419 | E | 82.8 | Confident | 72.9 | Confident | 138 Ų | 138 | 113.4 Ų | 113.4 | 65% | 0.645 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.2 | -37.1 | 177.6 | -172.9 | 176.7 | -170.1 | 0 | 0 | 111.8 | L415 Q422 S423 | L415-E419 WeakPolarHBondContact O-CB 3.27Å; L415-E419 PolarHBondContact O-N 3.22Å; E419-Q422 PolarHBondContact O-N 2.87Å; E419-S423 WeakPolarHBondContact O-CB 3.17Å; E419-S423 PolarHBondContact O-N 3.3Å; E419-S423 PolarHBondContact O-OG 2.83Å |
| 420 | K | 77.5 | Confident | 72 | Confident | 134 Ų | 134 | 118.7 Ų | 118.7 | 58% | 0.583 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.5 | -40.6 | 171.8 | -79.3 | 175.3 | -178.3 | 173.9 | 0 | 112.7 | A416 D417 I418 Q422 S423 S424 | A416-K420 WeakPolarHBondContact O-CB 3.4Å; A416-K420 VanDerWaalsContact O-CG 3.3Å; A416-K420 WeakPolarHBondContact O-CG 3.48Å; A416-K420 PolarHBondContact O-N 2.76Å; A416-K420 VanDerWaalsContact O-N 3.08Å; D417-K420 PolarHBondContact O-N 3.07Å; I418-K420 VanDerWaalsContact C-N 3.33Å; I418-K420 PolarHBondContact O-N 3.34Å; K420-Q422 VanDerWaalsContact C-N 3.32Å; K420-S423 WeakPolarHBondContact CA-OG 3.35Å; K420-S423 PolarHBondContact O-N 2.8Å; K420-S423 PolarHBondContact O-OG 3.41Å; K420-S424 WeakPolarHBondContact O-CB 3.27Å; K420-S424 PolarHBondContact O-N 3.33Å |
| 421 | D | 70.4 | Confident | 71.2 | Confident | 70 Ų | 70 | 118.5 Ų | 118.5 | 37% | 0.374 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.8 | -38.8 | 176 | -84 | -1.6 | 0 | 0 | 0 | 111.5 | D417 I418 S424 | D417-D421 PolarHBondContact O-N 2.84Å; I418-D421 PolarHBondContact O-N 2.93Å; D421-S424 PolarHBondContact O-OG 3.16Å |
| 422 | Q | 73.2 | Confident | 69.6 | Low | 158 Ų | 158 | 116.2 Ų | 116.2 | 74% | 0.738 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -72.6 | -34.5 | 178.2 | -72.3 | -177.4 | 19.2 | 0 | 0 | 113.4 | I418 E419 K420 | I418-Q422 HydrophobicContact CG2-CG 4.47Å; I418-Q422 WeakPolarHBondContact O-CB 3.38Å; I418-Q422 VanDerWaalsContact O-CG 3.3Å; I418-Q422 WeakPolarHBondContact O-CG 3.37Å; I418-Q422 PolarHBondContact O-N 3.38Å; E419-Q422 PolarHBondContact O-N 2.87Å; K420-Q422 VanDerWaalsContact C-N 3.32Å |
| 423 | S | 73.4 | Confident | 68.4 | Low | 93 Ų | 93 | 115.4 Ų | 115.4 | 65% | 0.65 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -82.3 | -14.4 | 177.4 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | E419 K420 | E419-S423 WeakPolarHBondContact O-CB 3.17Å; E419-S423 PolarHBondContact O-N 3.3Å; E419-S423 PolarHBondContact O-OG 2.83Å; K420-S423 WeakPolarHBondContact CA-OG 3.35Å; K420-S423 PolarHBondContact O-N 2.8Å; K420-S423 PolarHBondContact O-OG 3.41Å |
| 424 | S | 68.1 | Low | 66.9 | Low | 33 Ų | 33 | 111 Ų | 111 | 23% | 0.231 | 56% | 0.557 | C | S | . | * | S | Bend | trans | -81.7 | 140.5 | 173.8 | 80.2 | 0 | 0 | 0 | 0 | 112 | K420 D421 | K420-S424 WeakPolarHBondContact O-CB 3.27Å; K420-S424 PolarHBondContact O-N 3.33Å; D421-S424 PolarHBondContact O-OG 3.16Å |
| 425 | P | 66.8 | Low | 65.4 | Low | 91 Ų | 91 | 112.3 Ų | 112.3 | 59% | 0.591 | 57% | 0.571 | S | S | * | * | trans | -57.7 | 140.1 | 171.7 | -20.9 | 31.5 | 0 | 0 | 0 | 110.7 | L427 L428 | P425-L427 PolarHBondContact O-N 3.26Å; P425-L428 PolarHBondContact O-N 2.87Å | ||
| 426 | R | 60.8 | Low | 64 | Low | 212 Ų | 212 | 110 Ų | 110 | 80% | 0.8 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -48 | -24 | -174.6 | -78.6 | -174.2 | -169.2 | -156.1 | 4 | 115.5 | L428 R429 | R426-L428 VanDerWaalsContact C-N 3.31Å; R426-L428 PolarHBondContact O-N 3.19Å; R426-R429 PolarHBondContact O-N 2.82Å |
| 427 | L | 56.5 | Low | 62.2 | Low | 144 Ų | 144 | 114.1 Ų | 114.1 | 75% | 0.754 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -72.4 | -14.2 | 178.8 | -63.8 | 173 | 0 | 0 | 0 | 114.7 | P425 | P425-L427 PolarHBondContact O-N 3.26Š|
| 428 | L | 54.8 | Low | 60.4 | Low | 72 Ų | 72 | 114.5 Ų | 114.5 | 38% | 0.377 | 61% | 0.61 | S | S | . | * | G | 310 helix | trans | -106.1 | 2.1 | 174.8 | -82.1 | 89.6 | 0 | 0 | 0 | 113.5 | P425 R426 P435 | P425-L428 PolarHBondContact O-N 2.87Å; R426-L428 VanDerWaalsContact C-N 3.31Å; R426-L428 PolarHBondContact O-N 3.19Å; L428-P435 HydrophobicContact CD2-CG 4.43Å |
| 429 | R | 63.6 | Low | 58.9 | Low | 152 Ų | 152 | 122.5 Ų | 122.5 | 57% | 0.574 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -75.3 | 134.8 | 178.8 | -170.5 | 169.3 | 174 | -104.4 | 1.9 | 109.1 | R426 H432 | R426-R429 PolarHBondContact O-N 2.82Å; R429-H432 PolarHBondContact O-N 3.36Å |
| 430 | W | 50.9 | Low | 56.8 | Low | 203 Ų | 203 | 121.4 Ų | 121.4 | 77% | 0.769 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.2 | 134.4 | 178 | -100.5 | 86.1 | 0 | 0 | 0 | 111.9 | ||
| 431 | P | 54.3 | Low | 55.1 | Low | 92 Ų | 92 | 120.7 Ų | 120.7 | 60% | 0.597 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -108.2 | 57.8 | 12.4 | 40.6 | -30.3 | 0 | 0 | 0 | 113.3 | ||
| 432 | H | 46.8 | Very low | 53.5 | Low | 131 Ų | 131 | 124.2 Ų | 124.2 | 61% | 0.606 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -134.6 | 101 | 166.1 | -67.5 | -68.9 | 0 | 0 | 0 | 112.4 | R429 | R429-H432 PolarHBondContact O-N 3.36Š|
| 433 | I | 52.5 | Low | 52.1 | Low | 147 Ų | 147 | 121.5 Ų | 121.5 | 75% | 0.754 | 66% | 0.664 | S | S | * | * | trans | 51.8 | 86.6 | 150.5 | -43.4 | 173.9 | 0 | 0 | 0 | 115.9 | ||||
| 434 | S | 49.6 | Very low | 50.9 | Low | 73 Ų | 73 | 122.2 Ų | 122.2 | 51% | 0.51 | 67% | 0.669 | S | S | . | * | trans | -76.4 | 129.2 | 155.9 | -28.9 | 0 | 0 | 0 | 0 | 109.3 | G436 | S434-G436 PolarHBondContact O-N 3.36Š| ||
| 435 | P | 48 | Very low | 49.8 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 74% | 0.74 | 70% | 0.698 | S | S | * | * | trans | -79.3 | 66.2 | 170.4 | 32.5 | -31.1 | 0 | 0 | 0 | 109.7 | L428 | L428-P435 HydrophobicContact CD2-CG 4.43Š| ||
| 436 | G | 54.3 | Low | 48.8 | Very low | 49 Ų | 49 | 130 Ų | 130 | 51% | 0.505 | 71% | 0.711 | S | S | . | * | trans | -87 | 152.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110 | S434 A438 | S434-G436 PolarHBondContact O-N 3.36Å; G436-A438 PolarHBondContact O-N 2.96Å | ||
| 437 | P | 43.9 | Very low | 48 | Very low | 127 Ų | 127 | 124.8 Ų | 124.8 | 83% | 0.825 | 71% | 0.706 | S | S | * | * | trans | -55.4 | 121.8 | 169.5 | 23 | -29.9 | 0 | 0 | 0 | 108 | R439 | P437-R439 PolarHBondContact O-N 3.49Š| ||
| 438 | A | 41.9 | Very low | 47.4 | Very low | 94 Ų | 94 | 123.4 Ų | 123.4 | 78% | 0.777 | 71% | 0.709 | S | S | * | * | trans | -52.5 | 102.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | G436 T440 | G436-A438 PolarHBondContact O-N 2.96Å; A438-T440 VanDerWaalsContact C-N 3.33Å; A438-T440 PolarHBondContact O-N 3.37Å | ||
| 439 | R | 46.8 | Very low | 46.9 | Very low | 246 Ų | 246 | 128.4 Ų | 128.4 | 93% | 0.928 | 74% | 0.735 | S | S | * | * | trans | -63 | 105.4 | 159.7 | -89.6 | 179.5 | 144.5 | -160.1 | -6.2 | 105.1 | P437 | P437-R439 PolarHBondContact O-N 3.49Š| ||
| 440 | T | 39.1 | Very low | 46 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | -55.3 | 127.7 | 169 | 44.2 | 0 | 0 | 0 | 0 | 107.4 | A438 N442 | A438-T440 VanDerWaalsContact C-N 3.33Å; A438-T440 PolarHBondContact O-N 3.37Å; T440-N442 PolarHBondContact O-N 3.38Å | ||
| 441 | P | 41 | Very low | 45.7 | Very low | 119 Ų | 119 | 120.2 Ų | 120.2 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | -62.3 | 114.8 | 170.1 | 24.7 | -29.2 | 0 | 0 | 0 | 106.4 | S443 | P441-S443 VanDerWaalsContact C-N 3.32Å; P441-S443 PolarHBondContact O-N 3.15Å | ||
| 442 | N | 37.9 | Very low | 45.5 | Very low | 144 Ų | 144 | 120.8 Ų | 120.8 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | -53.3 | 96.9 | 169.3 | 27 | -40.3 | 0 | 0 | 0 | 107.8 | T440 S444 | T440-N442 PolarHBondContact O-N 3.38Å; N442-S444 PolarHBondContact O-N 3.28Å; N442-S444 VanDerWaalsContact O-N 3.09Å | ||
| 443 | S | 42.3 | Very low | 45.5 | Very low | 100 Ų | 100 | 120.5 Ų | 120.5 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | trans | -58.8 | 114.2 | 166.7 | 58 | 0 | 0 | 0 | 0 | 107.5 | P441 L445 | P441-S443 VanDerWaalsContact C-N 3.32Å; P441-S443 PolarHBondContact O-N 3.15Å; S443-L445 PolarHBondContact O-N 3.05Å | ||
| 444 | S | 50.2 | Low | 45.4 | Very low | 109 Ų | 109 | 122.5 Ų | 122.5 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 44.6 | -170.3 | 47.8 | 0 | 0 | 0 | 0 | 113 | N442 | N442-S444 PolarHBondContact O-N 3.28Å; N442-S444 VanDerWaalsContact O-N 3.09Å |
| 445 | L | 44.7 | Very low | 45.7 | Very low | 161 Ų | 161 | 125.5 Ų | 125.5 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.2 | 20.6 | 178.7 | -69.8 | 177.3 | 0 | 0 | 0 | 115.2 | S443 | S443-L445 PolarHBondContact O-N 3.05Š|
| 446 | C | 45.8 | Very low | 46.2 | Very low | 126 Ų | 126 | 127 Ų | 127 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -163.8 | 53.4 | 165.6 | -122.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 447 | S | 43.2 | Very low | 46.4 | Very low | 102 Ų | 102 | 130.7 Ų | 130.7 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | -122.4 | 37.5 | -179.7 | -63 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 448 | S | 42.8 | Very low | 47.4 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -119.5 | 5 | 178.1 | -50.9 | 0 | 0 | 0 | 0 | 115.2 | ||
| 449 | L | 44.5 | Very low | 48.9 | Very low | 178 Ų | 178 | 134.2 Ų | 134.2 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -141.1 | 36.6 | 178.9 | -69.7 | 176.7 | 0 | 0 | 0 | 115.3 | ||
| 450 | S | 45.1 | Very low | 50.3 | Low | 97 Ų | 97 | 126.7 Ų | 126.7 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | trans | -150.5 | 69.2 | 165 | -160.4 | 0 | 0 | 0 | 0 | 111.8 | S452 | S450-S452 VanDerWaalsContact C-N 3.33Š| ||
| 451 | G | 44.9 | Very low | 52.6 | Low | 86 Ų | 86 | 125.4 Ų | 125.4 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | trans | -95 | 41.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 452 | S | 50.8 | Low | 54.7 | Low | 104 Ų | 104 | 124.2 Ų | 124.2 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -171.3 | 88.7 | 160.3 | 66.8 | 0 | 0 | 0 | 0 | 110 | S450 | S450-S452 VanDerWaalsContact C-N 3.33Š| ||
| 453 | L | 45.6 | Very low | 57 | Low | 124 Ų | 124 | 120.4 Ų | 120.4 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | trans | -143.5 | 73.4 | 159.2 | -152.7 | 72.6 | 0 | 0 | 0 | 108.9 | L455 | L453-L455 HydrophobicContact CD1-CD2 4.19Å; L453-L455 HydrophobicContact CD2-CD1 3.88Å; L453-L455 HydrophobicContact CD2-CD2 3.54Å; L453-L455 HydrophobicContact CD2-CG 3.52Å; L453-L455 HydrophobicContact CG-CD2 3.69Å; L453-L455 HydrophobicContact CG-CG 3.64Å; L453-L455 PolarHBondContact O-N 2.98Å | ||
| 454 | E | 51.7 | Low | 59.2 | Low | 190 Ų | 190 | 116.8 Ų | 116.8 | 89% | 0.888 | 71% | 0.71 | S | S | * | * | trans | -59.3 | 84.9 | 147.1 | -75.4 | -174.3 | 162.8 | 0 | 0 | 107.1 | L456 | E454-L456 VanDerWaalsContact C-N 3.31Å; E454-L456 PolarHBondContact O-N 3.31Å | ||
| 455 | L | 55.4 | Low | 61 | Low | 135 Ų | 135 | 116.6 Ų | 116.6 | 71% | 0.707 | 70% | 0.695 | S | S | * | * | trans | -66 | 100.5 | 163 | -74.5 | 175.2 | 0 | 0 | 0 | 106 | L453 | L453-L455 HydrophobicContact CD1-CD2 4.19Å; L453-L455 HydrophobicContact CD2-CD1 3.88Å; L453-L455 HydrophobicContact CD2-CD2 3.54Å; L453-L455 HydrophobicContact CD2-CG 3.52Å; L453-L455 HydrophobicContact CG-CD2 3.69Å; L453-L455 HydrophobicContact CG-CG 3.64Å; L453-L455 PolarHBondContact O-N 2.98Å | ||
| 456 | L | 58.7 | Low | 63.3 | Low | 147 Ų | 147 | 114.7 Ų | 114.7 | 77% | 0.77 | 68% | 0.68 | S | S | * | * | trans | -45 | 133.6 | 162.6 | -68 | 174.4 | 0 | 0 | 0 | 107.9 | E454 A458 | E454-L456 VanDerWaalsContact C-N 3.31Å; E454-L456 PolarHBondContact O-N 3.31Å; L456-A458 PolarHBondContact O-N 3.45Å | ||
| 457 | P | 57.4 | Low | 65.5 | Low | 126 Ų | 126 | 116.3 Ų | 116.3 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | trans | -52.8 | 106 | -177.7 | -24.8 | 32 | 0 | 0 | 0 | 109.7 | K459 | P457-K459 PolarHBondContact O-N 3.47Š| ||
| 458 | A | 65.9 | Low | 67.6 | Low | 89 Ų | 89 | 116.6 Ų | 116.6 | 74% | 0.736 | 66% | 0.659 | S | S | * | * | trans | -59.4 | 129.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | L456 V460 | L456-A458 PolarHBondContact O-N 3.45Å; A458-V460 PolarHBondContact O-N 3.14Å | ||
| 459 | K | 73.9 | Confident | 70 | Confident | 205 Ų | 205 | 115.2 Ų | 115.2 | 89% | 0.891 | 64% | 0.639 | S | S | * | * | trans | -52.9 | 110.9 | 178.7 | -68.5 | 179.8 | -179.3 | 178 | 0 | 108.3 | P457 T461 | P457-K459 PolarHBondContact O-N 3.47Å; K459-T461 PolarHBondContact O-N 2.93Å | ||
| 460 | V | 76.3 | Confident | 72.2 | Confident | 88 Ų | 88 | 109.6 Ų | 109.6 | 53% | 0.533 | 62% | 0.619 | S | S | . | * | trans | -63.3 | 110.7 | -177.5 | -99.6 | 0 | 0 | 0 | 0 | 109.5 | A458 T464 K465 | A458-V460 PolarHBondContact O-N 3.14Å; V460-T464 HydrophobicContact CG1-CG2 3.92Å; V460-K465 HydrophobicContact CB-CG 4.38Å | ||
| 461 | T | 86.2 | Confident | 74.5 | Confident | 88 Ų | 88 | 109.1 Ų | 109.1 | 54% | 0.54 | 61% | 0.611 | S | S | . | * | trans | -59.8 | 149.2 | 172.7 | 52.8 | 0 | 0 | 0 | 0 | 110.9 | K459 A463 T464 K465 | K459-T461 PolarHBondContact O-N 2.93Å; T461-A463 PolarHBondContact O-N 3.42Å; T461-T464 WeakPolarHBondContact O-CA 3.27Å; T461-T464 WeakPolarHBondContact O-CB 3.41Å; T461-T464 PolarHBondContact O-N 2.93Å; T461-T464 PolarHBondContact OG1-OG1 3.28Å; T461-K465 PolarHBondContact O-N 3.32Å; T461-K465 VanDerWaalsContact O-N 3.13Å | ||
| 462 | D | 85.8 | Confident | 76.9 | Confident | 95 Ų | 95 | 111.3 Ų | 111.3 | 51% | 0.508 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -54.6 | -37.7 | -179 | -171.4 | 45.2 | 0 | 0 | 0 | 113 | T464 K465 K466 | D462-T464 VanDerWaalsContact C-N 3.25Å; D462-T464 PolarHBondContact O-N 3.21Å; D462-K465 WeakPolarHBondContact O-CB 3.32Å; D462-K465 PolarHBondContact O-N 2.93Å; D462-K465 VanDerWaalsContact O-N 3.12Å; D462-K466 PolarHBondContact O-N 3.36Å; D462-K466 WeakPolarHBondContact OD2-CE 3.36Å; D462-K466 IonicContact OD2-NZ 2.8Å; D462-K466 PolarHBondContact OD2-NZ 3Å |
| 463 | A | 86.3 | Confident | 78.9 | Confident | 64 Ų | 64 | 112.5 Ų | 112.5 | 53% | 0.529 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.2 | -34.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T461 R467 | T461-A463 PolarHBondContact O-N 3.42Å; A463-R467 VanDerWaalsContact O-CG 3.3Å; A463-R467 WeakPolarHBondContact O-CG 3.47Å; A463-R467 PolarHBondContact O-N 2.97Å; A463-R467 VanDerWaalsContact O-N 3.07Å |
| 464 | T | 88.3 | Confident | 81.2 | Confident | 23 Ų | 23 | 109.2 Ų | 109.2 | 14% | 0.141 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -73.4 | -39.8 | 176 | -60.9 | 0 | 0 | 0 | 0 | 110.1 | V460 T461 D462 R467 H468 | V460-T464 HydrophobicContact CG1-CG2 3.92Å; T461-T464 WeakPolarHBondContact O-CA 3.27Å; T461-T464 WeakPolarHBondContact O-CB 3.41Å; T461-T464 PolarHBondContact O-N 2.93Å; T461-T464 PolarHBondContact OG1-OG1 3.28Å; D462-T464 VanDerWaalsContact C-N 3.25Å; D462-T464 PolarHBondContact O-N 3.21Å; T464-R467 PolarHBondContact O-N 2.89Å; T464-R467 PolarHBondContact OG1-NH2 2.89Å; T464-H468 WeakPolarHBondContact CG2-CE1 3.35Å; T464-H468 WeakPolarHBondContact CG2-ND1 3.13Å; T464-H468 PolarHBondContact O-N 3.49Å; T464-H468 PolarHBondContact O-ND1 3.35Å |
| 465 | K | 88.8 | Confident | 83.2 | Confident | 105 Ų | 105 | 104.6 Ų | 104.6 | 46% | 0.457 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60 | -48.1 | 173.7 | -64.1 | -176.7 | -178.9 | -179.6 | 0 | 111.9 | V460 T461 D462 R467 H468 E469 | V460-K465 HydrophobicContact CB-CG 4.38Å; T461-K465 PolarHBondContact O-N 3.32Å; T461-K465 VanDerWaalsContact O-N 3.13Å; D462-K465 WeakPolarHBondContact O-CB 3.32Å; D462-K465 PolarHBondContact O-N 2.93Å; D462-K465 VanDerWaalsContact O-N 3.12Å; K465-R467 PolarHBondContact O-N 3.47Å; K465-H468 PolarHBondContact O-N 2.86Å; K465-H468 VanDerWaalsContact O-N 3.12Å; K465-E469 WeakPolarHBondContact O-CG 3.33Å; K465-E469 PolarHBondContact O-N 3.43Å |
| 466 | K | 92.9 | Very high | 85 | Confident | 122 Ų | 122 | 103.3 Ų | 103.3 | 53% | 0.53 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 176.3 | -75.7 | 175.5 | 174 | 148.3 | 0 | 113.3 | D462 E469 A470 | D462-K466 PolarHBondContact O-N 3.36Å; D462-K466 WeakPolarHBondContact OD2-CE 3.36Å; D462-K466 IonicContact OD2-NZ 2.8Å; D462-K466 PolarHBondContact OD2-NZ 3Å; K466-E469 PolarHBondContact O-N 3.02Å; K466-A470 WeakPolarHBondContact O-CB 3.24Å; K466-A470 PolarHBondContact O-N 3.29Å |
| 467 | R | 90.3 | Very high | 86.5 | Confident | 160 Ų | 160 | 103 Ų | 103 | 60% | 0.604 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.6 | -45.7 | 172.3 | -76.7 | -174 | -62.9 | 159.8 | 0.9 | 111.8 | A463 T464 K465 E469 A470 V471 | A463-R467 VanDerWaalsContact O-CG 3.3Å; A463-R467 WeakPolarHBondContact O-CG 3.47Å; A463-R467 PolarHBondContact O-N 2.97Å; A463-R467 VanDerWaalsContact O-N 3.07Å; T464-R467 PolarHBondContact O-N 2.89Å; T464-R467 PolarHBondContact OG1-NH2 2.89Å; K465-R467 PolarHBondContact O-N 3.47Å; R467-E469 VanDerWaalsContact C-N 3.34Å; R467-E469 PolarHBondContact O-N 3.45Å; R467-A470 PolarHBondContact O-N 2.86Å; R467-V471 VanDerWaalsContact O-CG2 3.3Å; R467-V471 WeakPolarHBondContact O-CG2 3.31Å; R467-V471 PolarHBondContact O-N 2.85Å |
| 468 | H | 88.8 | Confident | 88.2 | Confident | 108 Ų | 108 | 105.4 Ų | 105.4 | 50% | 0.5 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.6 | -35.1 | 178 | -73.1 | 82.9 | 0 | 0 | 0 | 112.3 | T464 K465 V471 R472 | T464-H468 WeakPolarHBondContact CG2-CE1 3.35Å; T464-H468 WeakPolarHBondContact CG2-ND1 3.13Å; T464-H468 PolarHBondContact O-N 3.49Å; T464-H468 PolarHBondContact O-ND1 3.35Å; K465-H468 PolarHBondContact O-N 2.86Å; K465-H468 VanDerWaalsContact O-N 3.12Å; H468-V471 PolarHBondContact O-N 3.23Å; H468-R472 WeakPolarHBondContact O-CB 3.32Å; H468-R472 WeakPolarHBondContact O-CG 3.27Å; H468-R472 PolarHBondContact O-N 3.45Å |
| 469 | E | 91.6 | Very high | 89.4 | Confident | 85 Ų | 85 | 107.6 Ų | 107.6 | 40% | 0.397 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 173.5 | -73.7 | 172.9 | -170.8 | 0 | 0 | 112.5 | K465 K466 R467 V471 R472 K473 | K465-E469 WeakPolarHBondContact O-CG 3.33Å; K465-E469 PolarHBondContact O-N 3.43Å; K466-E469 PolarHBondContact O-N 3.02Å; R467-E469 VanDerWaalsContact C-N 3.34Å; R467-E469 PolarHBondContact O-N 3.45Å; E469-V471 VanDerWaalsContact C-N 3.33Å; E469-R472 PolarHBondContact O-N 2.92Å; E469-K473 WeakPolarHBondContact O-CB 3.41Å; E469-K473 WeakPolarHBondContact O-CG 3.4Å; E469-K473 PolarHBondContact O-N 2.87Å |
| 470 | A | 92.1 | Very high | 90.4 | Very high | 61 Ų | 61 | 104 Ų | 104 | 50% | 0.504 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K466 R467 K473 A474 | K466-A470 WeakPolarHBondContact O-CB 3.24Å; K466-A470 PolarHBondContact O-N 3.29Å; R467-A470 PolarHBondContact O-N 2.86Å; A470-K473 PolarHBondContact O-N 2.93Å; A470-A474 WeakPolarHBondContact O-CB 3.38Å; A470-A474 PolarHBondContact O-N 3.47Å |
| 471 | V | 94 | Very high | 91.1 | Very high | 86 Ų | 86 | 102 Ų | 102 | 52% | 0.521 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 175 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | R467 H468 E469 A474 L475 | R467-V471 VanDerWaalsContact O-CG2 3.3Å; R467-V471 WeakPolarHBondContact O-CG2 3.31Å; R467-V471 PolarHBondContact O-N 2.85Å; H468-V471 PolarHBondContact O-N 3.23Å; E469-V471 VanDerWaalsContact C-N 3.33Å; V471-A474 PolarHBondContact O-N 2.8Å; V471-L475 HydrophobicContact CG1-CD1 4.06Å; V471-L475 WeakPolarHBondContact O-CB 3.49Å; V471-L475 WeakPolarHBondContact O-CG 3.47Å; V471-L475 PolarHBondContact O-N 3.11Å |
| 472 | R | 94 | Very high | 91.3 | Very high | 132 Ų | 132 | 102.6 Ų | 102.6 | 50% | 0.498 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.7 | -48.6 | 175.4 | -81.8 | -175.7 | -89.7 | 120 | -6.6 | 111.8 | H468 E469 A474 L475 E476 | H468-R472 WeakPolarHBondContact O-CB 3.32Å; H468-R472 WeakPolarHBondContact O-CG 3.27Å; H468-R472 PolarHBondContact O-N 3.45Å; E469-R472 PolarHBondContact O-N 2.92Å; R472-A474 PolarHBondContact O-N 2.77Å; R472-L475 PolarHBondContact O-N 3.37Å; R472-E476 WeakPolarHBondContact O-CG 3.29Å; R472-E476 PolarHBondContact O-N 2.79Å |
| 473 | K | 93.8 | Very high | 91.7 | Very high | 130 Ų | 130 | 102.6 Ų | 102.6 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.1 | -40.5 | 177.4 | -73.6 | -179.4 | 177.8 | 179.7 | 0 | 112.5 | E469 A470 E476 Q477 | E469-K473 WeakPolarHBondContact O-CB 3.41Å; E469-K473 WeakPolarHBondContact O-CG 3.4Å; E469-K473 PolarHBondContact O-N 2.87Å; A470-K473 PolarHBondContact O-N 2.93Å; K473-E476 PolarHBondContact O-N 2.92Å; K473-Q477 WeakPolarHBondContact O-CG 3.33Å; K473-Q477 PolarHBondContact O-N 3.21Å |
| 474 | A | 94.1 | Very high | 92 | Very high | 54 Ų | 54 | 106 Ų | 106 | 45% | 0.446 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | A470 V471 R472 Q477 R478 | A470-A474 WeakPolarHBondContact O-CB 3.38Å; A470-A474 PolarHBondContact O-N 3.47Å; V471-A474 PolarHBondContact O-N 2.8Å; R472-A474 PolarHBondContact O-N 2.77Å; A474-Q477 PolarHBondContact O-N 2.8Å; A474-R478 WeakPolarHBondContact O-CB 3.46Å; A474-R478 PolarHBondContact O-N 2.74Å |
| 475 | L | 92.6 | Very high | 92.1 | Very high | 93 Ų | 93 | 111.3 Ų | 111.3 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.3 | -41 | 174.7 | -75.3 | 170.9 | 0 | 0 | 0 | 112.2 | V471 R472 R478 K479 | V471-L475 HydrophobicContact CG1-CD1 4.06Å; V471-L475 WeakPolarHBondContact O-CB 3.49Å; V471-L475 WeakPolarHBondContact O-CG 3.47Å; V471-L475 PolarHBondContact O-N 3.11Å; R472-L475 PolarHBondContact O-N 3.37Å; L475-R478 PolarHBondContact O-N 3.44Å; L475-K479 WeakPolarHBondContact O-CG 3.14Å; L475-K479 PolarHBondContact O-N 3.44Å |
| 476 | E | 93.1 | Very high | 92.2 | Very high | 109 Ų | 109 | 112.3 Ų | 112.3 | 51% | 0.509 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 175.1 | -75.3 | 170.1 | -161.4 | 0 | 0 | 112.1 | R472 K473 K479 K480 | R472-E476 WeakPolarHBondContact O-CG 3.29Å; R472-E476 PolarHBondContact O-N 2.79Å; K473-E476 PolarHBondContact O-N 2.92Å; E476-K479 PolarHBondContact O-N 2.83Å; E476-K480 WeakPolarHBondContact O-CG 3.23Å; E476-K480 PolarHBondContact O-N 3.46Å |
| 477 | Q | 91.3 | Very high | 92.3 | Very high | 140 Ų | 140 | 113.5 Ų | 113.5 | 65% | 0.654 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.2 | -42.3 | 174.7 | -74.6 | 176.1 | -9.5 | 0 | 0 | 111.7 | K473 A474 K480 A481 | K473-Q477 WeakPolarHBondContact O-CG 3.33Å; K473-Q477 PolarHBondContact O-N 3.21Å; A474-Q477 PolarHBondContact O-N 2.8Å; Q477-K480 PolarHBondContact O-N 2.88Å; Q477-A481 PolarHBondContact O-N 3.19Å |
| 478 | R | 91.9 | Very high | 92.3 | Very high | 177 Ų | 177 | 113.1 Ų | 113.1 | 67% | 0.668 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.8 | -43.9 | 175.3 | -176.7 | 178.3 | 170.8 | -176.4 | -2.9 | 111.8 | A474 L475 A481 E482 | A474-R478 WeakPolarHBondContact O-CB 3.46Å; A474-R478 PolarHBondContact O-N 2.74Å; L475-R478 PolarHBondContact O-N 3.44Å; R478-A481 PolarHBondContact O-N 2.86Å; R478-E482 WeakPolarHBondContact O-CB 3.3Å; R478-E482 PolarHBondContact O-N 3.14Å |
| 479 | K | 92.3 | Very high | 92.4 | Very high | 134 Ų | 134 | 112.8 Ų | 112.8 | 58% | 0.583 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.3 | -43.5 | 176.1 | -76.1 | -174.1 | 174.6 | -167.4 | 0 | 112.4 | L475 E476 A481 E482 E483 | L475-K479 WeakPolarHBondContact O-CG 3.14Å; L475-K479 PolarHBondContact O-N 3.44Å; E476-K479 PolarHBondContact O-N 2.83Å; K479-A481 VanDerWaalsContact C-N 3.34Å; K479-A481 PolarHBondContact O-N 3.33Å; K479-E482 PolarHBondContact O-N 2.97Å; K479-E483 WeakPolarHBondContact O-CG 3.39Å; K479-E483 PolarHBondContact O-N 3.38Å |
| 480 | K | 93.3 | Very high | 92.5 | Very high | 130 Ų | 130 | 114 Ų | 114 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.6 | -40.6 | 176.5 | -74 | 177.1 | 180 | -178.9 | 0 | 112.3 | E476 Q477 E483 E484 | E476-K480 WeakPolarHBondContact O-CG 3.23Å; E476-K480 PolarHBondContact O-N 3.46Å; Q477-K480 PolarHBondContact O-N 2.88Å; K480-E483 PolarHBondContact O-N 3.22Å; K480-E484 WeakPolarHBondContact O-CB 3.46Å; K480-E484 WeakPolarHBondContact O-CG 3.43Å; K480-E484 PolarHBondContact O-N 2.83Å |
| 481 | A | 91.3 | Very high | 92.6 | Very high | 45 Ų | 45 | 117.1 Ų | 117.1 | 37% | 0.372 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q477 R478 K479 E484 E485 | Q477-A481 PolarHBondContact O-N 3.19Å; R478-A481 PolarHBondContact O-N 2.86Å; K479-A481 VanDerWaalsContact C-N 3.34Å; K479-A481 PolarHBondContact O-N 3.33Å; A481-E484 PolarHBondContact O-N 3.29Å; A481-E485 WeakPolarHBondContact O-CG 3.47Å; A481-E485 PolarHBondContact O-N 3.5Å |
| 482 | E | 91.8 | Very high | 92.4 | Very high | 102 Ų | 102 | 116.3 Ų | 116.3 | 48% | 0.477 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 175.4 | -172 | 168.7 | -157.6 | 0 | 0 | 111.8 | R478 K479 E484 E485 E486 | R478-E482 WeakPolarHBondContact O-CB 3.3Å; R478-E482 PolarHBondContact O-N 3.14Å; K479-E482 PolarHBondContact O-N 2.97Å; E482-E484 VanDerWaalsContact C-N 3.33Å; E482-E484 PolarHBondContact O-N 3.43Å; E482-E485 PolarHBondContact O-N 3.45Å; E482-E486 WeakPolarHBondContact O-CG 3.46Å; E482-E486 PolarHBondContact O-N 3.46Å |
| 483 | E | 93.4 | Very high | 92.4 | Very high | 95 Ų | 95 | 116.5 Ų | 116.5 | 44% | 0.444 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.6 | -37.4 | 174.1 | -73.7 | 174.9 | -159.2 | 0 | 0 | 112.7 | K479 K480 R487 | K479-E483 WeakPolarHBondContact O-CG 3.39Å; K479-E483 PolarHBondContact O-N 3.38Å; K480-E483 PolarHBondContact O-N 3.22Å; E483-R487 WeakPolarHBondContact O-CB 3.26Å; E483-R487 WeakPolarHBondContact O-CG 3.29Å; E483-R487 PolarHBondContact O-N 2.88Å |
| 484 | E | 92.2 | Very high | 92.5 | Very high | 135 Ų | 135 | 114.8 Ų | 114.8 | 63% | 0.631 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.2 | -39.3 | 175.8 | -76.1 | 178.5 | -174.2 | 0 | 0 | 112.1 | K480 A481 E482 R487 W488 | K480-E484 WeakPolarHBondContact O-CB 3.46Å; K480-E484 WeakPolarHBondContact O-CG 3.43Å; K480-E484 PolarHBondContact O-N 2.83Å; A481-E484 PolarHBondContact O-N 3.29Å; E482-E484 VanDerWaalsContact C-N 3.33Å; E482-E484 PolarHBondContact O-N 3.43Å; E484-R487 PolarHBondContact O-N 2.95Å; E484-W488 WeakPolarHBondContact O-CB 3.4Å; E484-W488 PolarHBondContact O-N 3.24Å |
| 485 | E | 90.6 | Very high | 92.4 | Very high | 135 Ų | 135 | 119.9 Ų | 119.9 | 63% | 0.631 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.7 | -44.1 | 173.2 | -75.5 | -177.4 | -178.9 | 0 | 0 | 111.4 | A481 E482 W488 M489 | A481-E485 WeakPolarHBondContact O-CG 3.47Å; A481-E485 PolarHBondContact O-N 3.5Å; E482-E485 PolarHBondContact O-N 3.45Å; E485-W488 WeakPolarHBondContact O-CB 3.31Å; E485-W488 PolarHBondContact O-N 3.02Å; E485-M489 WeakPolarHBondContact O-CG 3.28Å; E485-M489 PolarHBondContact O-N 3.45Å |
| 486 | E | 91.1 | Very high | 92.5 | Very high | 125 Ų | 125 | 121.8 Ų | 121.8 | 58% | 0.584 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.5 | -46.8 | 175.6 | -75.3 | -176.6 | 167.4 | 0 | 0 | 111.9 | E482 W488 M489 E490 | E482-E486 WeakPolarHBondContact O-CG 3.46Å; E482-E486 PolarHBondContact O-N 3.46Å; E486-W488 VanDerWaalsContact C-N 3.25Å; E486-W488 PolarHBondContact O-N 3.05Å; E486-M489 PolarHBondContact O-N 2.84Å; E486-E490 WeakPolarHBondContact O-CB 3.28Å; E486-E490 PolarHBondContact O-N 3.32Å |
| 487 | R | 94.1 | Very high | 92.6 | Very high | 148 Ų | 148 | 121.4 Ų | 121.4 | 56% | 0.558 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.6 | -34.7 | 175.7 | -73.4 | 172.1 | -176.2 | -174.3 | 5.3 | 112.3 | E483 E484 K491 | E483-R487 WeakPolarHBondContact O-CB 3.26Å; E483-R487 WeakPolarHBondContact O-CG 3.29Å; E483-R487 PolarHBondContact O-N 2.88Å; E484-R487 PolarHBondContact O-N 2.95Å; R487-K491 WeakPolarHBondContact O-CB 3.47Å; R487-K491 VanDerWaalsContact O-CG 3.27Å; R487-K491 WeakPolarHBondContact O-CG 3.31Å; R487-K491 PolarHBondContact O-N 3.48Å; R487-K491 VanDerWaalsContact O-N 3.14Å |
| 488 | W | 91.8 | Very high | 92.8 | Very high | 152 Ų | 152 | 119.9 Ų | 119.9 | 58% | 0.576 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.4 | -45.2 | 175.2 | -177.9 | 85.9 | 0 | 0 | 0 | 111.2 | E484 E485 E486 E490 K491 Q492 | E484-W488 WeakPolarHBondContact O-CB 3.4Å; E484-W488 PolarHBondContact O-N 3.24Å; E485-W488 WeakPolarHBondContact O-CB 3.31Å; E485-W488 PolarHBondContact O-N 3.02Å; E486-W488 VanDerWaalsContact C-N 3.25Å; E486-W488 PolarHBondContact O-N 3.05Å; W488-E490 VanDerWaalsContact C-N 3.35Å; W488-E490 PolarHBondContact O-N 3.28Å; W488-K491 PolarHBondContact O-N 2.93Å; W488-Q492 HydrophobicContact CD2-CG 4.15Å; W488-Q492 HydrophobicContact CE3-CG 4.29Å; W488-Q492 HydrophobicContact CH2-CG 4.13Å; W488-Q492 HydrophobicContact CZ2-CG 3.98Å; W488-Q492 HydrophobicContact CZ3-CG 4.29Å; W488-Q492 WeakPolarHBondContact O-CG 3.2Å; W488-Q492 PolarHBondContact O-N 3.48Å |
| 489 | M | 90.4 | Very high | 92.9 | Very high | 101 Ų | 101 | 116.2 Ų | 116.2 | 50% | 0.498 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 176.2 | -71.8 | -59.4 | -68 | 0 | 0 | 112.3 | E485 E486 Q492 R493 | E485-M489 WeakPolarHBondContact O-CG 3.28Å; E485-M489 PolarHBondContact O-N 3.45Å; E486-M489 PolarHBondContact O-N 2.84Å; M489-Q492 PolarHBondContact O-N 2.9Å; M489-R493 WeakPolarHBondContact O-CB 3.28Å; M489-R493 PolarHBondContact O-N 3.39Å |
| 490 | E | 93.4 | Very high | 92.9 | Very high | 110 Ų | 110 | 116 Ų | 116 | 51% | 0.514 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 176.1 | -172.6 | 173 | -146.1 | 0 | 0 | 111.4 | E486 W488 Q492 R493 E494 | E486-E490 WeakPolarHBondContact O-CB 3.28Å; E486-E490 PolarHBondContact O-N 3.32Å; W488-E490 VanDerWaalsContact C-N 3.35Å; W488-E490 PolarHBondContact O-N 3.28Å; E490-Q492 VanDerWaalsContact C-N 3.29Å; E490-Q492 PolarHBondContact O-N 3.01Å; E490-R493 PolarHBondContact O-N 2.89Å; E490-E494 PolarHBondContact O-N 3.5Å |
| 491 | K | 94.5 | Very high | 92.9 | Very high | 127 Ų | 127 | 117 Ų | 117 | 55% | 0.552 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.3 | -37.7 | 173.5 | -75.1 | 171.9 | -176.3 | 174 | 0 | 112.4 | R487 W488 R495 | R487-K491 WeakPolarHBondContact O-CB 3.47Å; R487-K491 VanDerWaalsContact O-CG 3.27Å; R487-K491 WeakPolarHBondContact O-CG 3.31Å; R487-K491 PolarHBondContact O-N 3.48Å; R487-K491 VanDerWaalsContact O-N 3.14Å; W488-K491 PolarHBondContact O-N 2.93Å; K491-R495 VanDerWaalsContact O-CG 3.24Å; K491-R495 WeakPolarHBondContact O-CG 3.16Å; K491-R495 PolarHBondContact O-N 3.08Å; K491-R495 VanDerWaalsContact O-N 3.13Å |
| 492 | Q | 88.6 | Confident | 92.9 | Very high | 68 Ų | 68 | 119.8 Ų | 119.8 | 32% | 0.318 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.4 | -46.5 | 174.1 | -68 | -56.7 | -30.1 | 0 | 0 | 111.2 | W488 M489 E490 E494 R495 E496 | W488-Q492 HydrophobicContact CD2-CG 4.15Å; W488-Q492 HydrophobicContact CE3-CG 4.29Å; W488-Q492 HydrophobicContact CH2-CG 4.13Å; W488-Q492 HydrophobicContact CZ2-CG 3.98Å; W488-Q492 HydrophobicContact CZ3-CG 4.29Å; W488-Q492 WeakPolarHBondContact O-CG 3.2Å; W488-Q492 PolarHBondContact O-N 3.48Å; M489-Q492 PolarHBondContact O-N 2.9Å; E490-Q492 VanDerWaalsContact C-N 3.29Å; E490-Q492 PolarHBondContact O-N 3.01Å; Q492-E494 VanDerWaalsContact C-N 3.3Å; Q492-E494 PolarHBondContact O-N 2.89Å; Q492-R495 WeakPolarHBondContact O-CB 3.33Å; Q492-R495 PolarHBondContact O-N 2.78Å; Q492-R495 VanDerWaalsContact O-N 3.08Å; Q492-E496 WeakPolarHBondContact O-CB 3.42Å; Q492-E496 PolarHBondContact O-N 3.42Å |
| 493 | R | 94.6 | Very high | 93 | Very high | 136 Ų | 136 | 119 Ų | 119 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.2 | -39.1 | 177.2 | -169.9 | -174.9 | -67.6 | 150.4 | -3.6 | 111.9 | M489 E490 E496 K497 | M489-R493 WeakPolarHBondContact O-CB 3.28Å; M489-R493 PolarHBondContact O-N 3.39Å; E490-R493 PolarHBondContact O-N 2.89Å; R493-E496 PolarHBondContact O-N 3.26Å; R493-K497 HydrophobicContact CG-CD 4.43Å; R493-K497 WeakPolarHBondContact O-CB 3.26Å; R493-K497 VanDerWaalsContact O-CG 3.27Å; R493-K497 WeakPolarHBondContact O-CG 3.29Å; R493-K497 PolarHBondContact O-N 3.31Å |
| 494 | E | 95.4 | Very high | 92.8 | Very high | 95 Ų | 95 | 119 Ų | 119 | 44% | 0.444 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 173.2 | -79.3 | -168.6 | -172.4 | 0 | 0 | 112.5 | E490 Q492 E496 K497 K498 | E490-E494 PolarHBondContact O-N 3.5Å; Q492-E494 VanDerWaalsContact C-N 3.3Å; Q492-E494 PolarHBondContact O-N 2.89Å; E494-E496 VanDerWaalsContact C-N 3.35Å; E494-K497 PolarHBondContact O-N 3.02Å; E494-K498 WeakPolarHBondContact O-CB 3.45Å; E494-K498 VanDerWaalsContact O-CG 3.25Å; E494-K498 WeakPolarHBondContact O-CG 3.32Å; E494-K498 PolarHBondContact O-N 3.46Å; E494-K498 IonicContact OE2-NZ 3.98Å; E494-K498 PolarHBondContact OE2-NZ 3.5Å |
| 495 | R | 93.9 | Very high | 92.5 | Very high | 160 Ų | 160 | 119.9 Ų | 119.9 | 60% | 0.604 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.7 | -43.1 | 177.6 | -72.8 | 169.9 | -179.4 | -165.3 | -0.5 | 110.9 | K491 Q492 K498 L499 | K491-R495 VanDerWaalsContact O-CG 3.24Å; K491-R495 WeakPolarHBondContact O-CG 3.16Å; K491-R495 PolarHBondContact O-N 3.08Å; K491-R495 VanDerWaalsContact O-N 3.13Å; Q492-R495 WeakPolarHBondContact O-CB 3.33Å; Q492-R495 PolarHBondContact O-N 2.78Å; Q492-R495 VanDerWaalsContact O-N 3.08Å; R495-K498 PolarHBondContact O-N 2.94Å; R495-L499 WeakPolarHBondContact O-CB 3.44Å; R495-L499 PolarHBondContact O-N 2.94Å |
| 496 | E | 93.3 | Very high | 92.2 | Very high | 133 Ų | 133 | 121.3 Ų | 121.3 | 62% | 0.621 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.9 | -48.5 | 175 | -174.8 | 178 | -165.6 | 0 | 0 | 111.5 | Q492 R493 E494 K498 L499 Q500 | Q492-E496 WeakPolarHBondContact O-CB 3.42Å; Q492-E496 PolarHBondContact O-N 3.42Å; R493-E496 PolarHBondContact O-N 3.26Å; E494-E496 VanDerWaalsContact C-N 3.35Å; E496-K498 VanDerWaalsContact C-N 3.28Å; E496-K498 PolarHBondContact O-N 2.93Å; E496-L499 CarbonylContact O-C 3.5Å; E496-L499 WeakPolarHBondContact O-CB 3.49Å; E496-L499 PolarHBondContact O-N 2.9Å; E496-L499 VanDerWaalsContact O-N 3.11Å; E496-Q500 WeakPolarHBondContact O-CB 3.27Å; E496-Q500 PolarHBondContact O-N 3.07Å |
| 497 | K | 95.1 | Very high | 91.8 | Very high | 102 Ų | 102 | 117.9 Ų | 117.9 | 44% | 0.443 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.2 | -36 | 175.2 | -75.8 | 177.5 | 177.9 | -177.3 | 0 | 112.6 | R493 E494 R501 | R493-K497 HydrophobicContact CG-CD 4.43Å; R493-K497 WeakPolarHBondContact O-CB 3.26Å; R493-K497 VanDerWaalsContact O-CG 3.27Å; R493-K497 WeakPolarHBondContact O-CG 3.29Å; R493-K497 PolarHBondContact O-N 3.31Å; E494-K497 PolarHBondContact O-N 3.02Å; K497-R501 WeakPolarHBondContact O-CB 3.45Å; K497-R501 WeakPolarHBondContact O-CG 3.36Å; K497-R501 PolarHBondContact O-N 3.44Å; K497-R501 VanDerWaalsContact O-N 3.14Å; K497-R501 PolarHBondContact O-NE 3.23Å; K497-R501 VanDerWaalsContact O-NE 3.17Å |
| 498 | K | 96.1 | Very high | 91.2 | Very high | 108 Ų | 108 | 114.9 Ų | 114.9 | 47% | 0.47 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.9 | -43.7 | 174.6 | -76.1 | 166.3 | -179.2 | 161.3 | 0 | 110.5 | E494 R495 E496 R501 M502 | E494-K498 WeakPolarHBondContact O-CB 3.45Å; E494-K498 VanDerWaalsContact O-CG 3.25Å; E494-K498 WeakPolarHBondContact O-CG 3.32Å; E494-K498 PolarHBondContact O-N 3.46Å; E494-K498 IonicContact OE2-NZ 3.98Å; E494-K498 PolarHBondContact OE2-NZ 3.5Å; R495-K498 PolarHBondContact O-N 2.94Å; E496-K498 VanDerWaalsContact C-N 3.28Å; E496-K498 PolarHBondContact O-N 2.93Å; K498-R501 PolarHBondContact O-N 2.91Å; K498-M502 WeakPolarHBondContact O-CG 3.31Å; K498-M502 PolarHBondContact O-N 3.33Å; K498-M502 VanDerWaalsContact O-N 3.14Å |
| 499 | L | 93.4 | Very high | 90.5 | Very high | 99 Ų | 99 | 111.7 Ų | 111.7 | 52% | 0.518 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.6 | -49.1 | 175.9 | -179.1 | 61.9 | 0 | 0 | 0 | 111.6 | R495 E496 R501 M502 V503 | R495-L499 WeakPolarHBondContact O-CB 3.44Å; R495-L499 PolarHBondContact O-N 2.94Å; E496-L499 CarbonylContact O-C 3.5Å; E496-L499 WeakPolarHBondContact O-CB 3.49Å; E496-L499 PolarHBondContact O-N 2.9Å; E496-L499 VanDerWaalsContact O-N 3.11Å; L499-R501 VanDerWaalsContact C-N 3.28Å; L499-R501 PolarHBondContact O-N 3.45Å; L499-M502 HydrophobicContact CD1-CE 4.1Å; L499-M502 WeakPolarHBondContact O-CB 3.44Å; L499-M502 PolarHBondContact O-N 3.46Å; L499-V503 HydrophobicContact CD1-CG2 4.18Å; L499-V503 HydrophobicContact CG-CG2 4.3Å; L499-V503 WeakPolarHBondContact O-CG2 3.29Å; L499-V503 PolarHBondContact O-N 3.42Å |
| 500 | Q | 92.8 | Very high | 90 | Very high | 131 Ų | 131 | 111.1 Ų | 111.1 | 61% | 0.612 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -55.8 | -43 | 177.3 | -171 | -174 | 17 | 0 | 0 | 111.4 | E496 M502 V503 L504 | E496-Q500 WeakPolarHBondContact O-CB 3.27Å; E496-Q500 PolarHBondContact O-N 3.07Å; Q500-M502 PolarHBondContact O-N 3.36Å; Q500-V503 PolarHBondContact O-N 2.95Å; Q500-L504 VanDerWaalsContact O-CB 3.26Å; Q500-L504 WeakPolarHBondContact O-CB 3.4Å; Q500-L504 PolarHBondContact O-N 3.39Å |
| 501 | R | 92.8 | Very high | 89.2 | Confident | 149 Ų | 149 | 109.7 Ų | 109.7 | 56% | 0.562 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.5 | -41.6 | 174.6 | -81.2 | -178.1 | -88.3 | 174.5 | -13.5 | 112.9 | K497 K498 L499 K505 | K497-R501 WeakPolarHBondContact O-CB 3.45Å; K497-R501 WeakPolarHBondContact O-CG 3.36Å; K497-R501 PolarHBondContact O-N 3.44Å; K497-R501 VanDerWaalsContact O-N 3.14Å; K497-R501 PolarHBondContact O-NE 3.23Å; K497-R501 VanDerWaalsContact O-NE 3.17Å; K498-R501 PolarHBondContact O-N 2.91Å; L499-R501 VanDerWaalsContact C-N 3.28Å; L499-R501 PolarHBondContact O-N 3.45Å; R501-K505 WeakPolarHBondContact O-CG 3.35Å; R501-K505 PolarHBondContact O-N 2.86Å; R501-K505 VanDerWaalsContact O-N 3.1Å |
| 502 | M | 92.3 | Very high | 88.4 | Confident | 105 Ų | 105 | 109.2 Ų | 109.2 | 52% | 0.517 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68 | -42.4 | 176.6 | -68.9 | -173.3 | -65 | 0 | 0 | 111.9 | K498 L499 Q500 K505 R506 | K498-M502 WeakPolarHBondContact O-CG 3.31Å; K498-M502 PolarHBondContact O-N 3.33Å; K498-M502 VanDerWaalsContact O-N 3.14Å; L499-M502 HydrophobicContact CD1-CE 4.1Å; L499-M502 WeakPolarHBondContact O-CB 3.44Å; L499-M502 PolarHBondContact O-N 3.46Å; Q500-M502 PolarHBondContact O-N 3.36Å; M502-K505 PolarHBondContact O-N 2.97Å; M502-R506 WeakPolarHBondContact O-CG 3.29Å; M502-R506 PolarHBondContact O-N 3.17Å |
| 503 | V | 93.2 | Very high | 87.6 | Confident | 84 Ų | 84 | 112.9 Ų | 112.9 | 51% | 0.509 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 176.8 | 172.7 | 0 | 0 | 0 | 0 | 110.2 | L499 Q500 K505 R506 A507 | L499-V503 HydrophobicContact CD1-CG2 4.18Å; L499-V503 HydrophobicContact CG-CG2 4.3Å; L499-V503 WeakPolarHBondContact O-CG2 3.29Å; L499-V503 PolarHBondContact O-N 3.42Å; Q500-V503 PolarHBondContact O-N 2.95Å; V503-K505 PolarHBondContact O-N 3.38Å; V503-R506 PolarHBondContact O-N 2.8Å; V503-A507 WeakPolarHBondContact O-CB 3.38Å; V503-A507 PolarHBondContact O-N 3.49Å |
| 504 | L | 88.8 | Confident | 86.5 | Confident | 96 Ų | 96 | 112.5 Ų | 112.5 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.5 | -44.4 | 177.9 | -177.1 | 64.8 | 0 | 0 | 0 | 111.8 | Q500 R506 A507 Q508 | Q500-L504 VanDerWaalsContact O-CB 3.26Å; Q500-L504 WeakPolarHBondContact O-CB 3.4Å; Q500-L504 PolarHBondContact O-N 3.39Å; L504-R506 PolarHBondContact O-N 3.44Å; L504-A507 PolarHBondContact O-N 2.89Å; L504-Q508 HydrophobicContact CD1-CG 4.44Å; L504-Q508 WeakPolarHBondContact O-CB 3.5Å; L504-Q508 VanDerWaalsContact O-CG 3.26Å; L504-Q508 WeakPolarHBondContact O-CG 3.36Å; L504-Q508 PolarHBondContact O-N 2.92Å |
| 505 | K | 85.8 | Confident | 85.4 | Confident | 153 Ų | 153 | 109.9 Ų | 109.9 | 67% | 0.665 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62 | -41.1 | 176.2 | -75.6 | -179.7 | 178.9 | -170 | 0 | 112.5 | R501 M502 V503 A509 | R501-K505 WeakPolarHBondContact O-CG 3.35Å; R501-K505 PolarHBondContact O-N 2.86Å; R501-K505 VanDerWaalsContact O-N 3.1Å; M502-K505 PolarHBondContact O-N 2.97Å; V503-K505 PolarHBondContact O-N 3.38Å; K505-A509 WeakPolarHBondContact O-CB 3.41Å; K505-A509 PolarHBondContact O-N 3.4Å; K505-A509 VanDerWaalsContact O-N 3.08Å |
| 506 | R | 85 | Confident | 84.1 | Confident | 166 Ų | 166 | 108.3 Ų | 108.3 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.9 | -42 | 177.2 | -74.3 | -177.8 | 177.7 | 171.2 | 1.2 | 111.9 | M502 V503 L504 A509 N510 | M502-R506 WeakPolarHBondContact O-CG 3.29Å; M502-R506 PolarHBondContact O-N 3.17Å; V503-R506 PolarHBondContact O-N 2.8Å; L504-R506 PolarHBondContact O-N 3.44Å; R506-A509 PolarHBondContact O-N 2.99Å; R506-N510 VanDerWaalsContact O-CG 3.23Å; R506-N510 PolarHBondContact O-N 2.77Å; R506-N510 VanDerWaalsContact O-N 3.1Å; R506-N510 PolarHBondContact O-ND2 3.03Å; R506-N510 VanDerWaalsContact O-ND2 3.16Å |
| 507 | A | 82.9 | Confident | 83.1 | Confident | 52 Ų | 52 | 105.9 Ų | 105.9 | 43% | 0.43 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | V503 L504 A509 N510 D511 | V503-A507 WeakPolarHBondContact O-CB 3.38Å; V503-A507 PolarHBondContact O-N 3.49Å; L504-A507 PolarHBondContact O-N 2.89Å; A507-A509 VanDerWaalsContact C-N 3.31Å; A507-A509 PolarHBondContact O-N 3.18Å; A507-N510 CarbonylContact O-C 3.58Å; A507-N510 PolarHBondContact O-N 3.25Å; A507-N510 VanDerWaalsContact O-N 3.11Å; A507-D511 WeakPolarHBondContact O-CB 3.49Å; A507-D511 PolarHBondContact O-N 3.24Å |
| 508 | Q | 81.9 | Confident | 82.2 | Confident | 86 Ų | 86 | 105.2 Ų | 105.2 | 40% | 0.402 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.8 | -35.9 | 175.1 | -74.9 | 174.3 | -3 | 0 | 0 | 113.3 | L504 N510 | L504-Q508 HydrophobicContact CD1-CG 4.44Å; L504-Q508 WeakPolarHBondContact O-CB 3.5Å; L504-Q508 VanDerWaalsContact O-CG 3.26Å; L504-Q508 WeakPolarHBondContact O-CG 3.36Å; L504-Q508 PolarHBondContact O-N 2.92Å; Q508-N510 VanDerWaalsContact C-N 3.27Å; Q508-N510 PolarHBondContact O-N 2.93Å |
| 509 | A | 77 | Confident | 81.3 | Confident | 85 Ų | 85 | 101.3 Ų | 101.3 | 70% | 0.702 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -71.4 | -24.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | K505 R506 A507 | K505-A509 WeakPolarHBondContact O-CB 3.41Å; K505-A509 PolarHBondContact O-N 3.4Å; K505-A509 VanDerWaalsContact O-N 3.08Å; R506-A509 PolarHBondContact O-N 2.99Å; A507-A509 VanDerWaalsContact C-N 3.31Å; A507-A509 PolarHBondContact O-N 3.18Å |
| 510 | N | 78.4 | Confident | 80.7 | Confident | 88 Ų | 88 | 100.4 Ų | 100.4 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -94.1 | -11.2 | 178.4 | -66.5 | -33 | 0 | 0 | 0 | 113 | R207 R506 A507 Q508 P512 | R207-N510 PolarHBondContact NH1-OD1 3.25Å; R207-N510 PolarHBondContact NH2-ND2 3.31Å; R207-N510 PolarHBondContact NH2-OD1 3.39Å; R506-N510 VanDerWaalsContact O-CG 3.23Å; R506-N510 PolarHBondContact O-N 2.77Å; R506-N510 VanDerWaalsContact O-N 3.1Å; R506-N510 PolarHBondContact O-ND2 3.03Å; R506-N510 VanDerWaalsContact O-ND2 3.16Å; A507-N510 CarbonylContact O-C 3.58Å; A507-N510 PolarHBondContact O-N 3.25Å; A507-N510 VanDerWaalsContact O-N 3.11Å; Q508-N510 VanDerWaalsContact C-N 3.27Å; Q508-N510 PolarHBondContact O-N 2.93Å; N510-P512 WeakPolarHBondContact O-CD 3.29Å |
| 511 | D | 78.4 | Confident | 80.3 | Confident | 81 Ų | 81 | 100.5 Ų | 100.5 | 43% | 0.433 | 53% | 0.527 | S | S | . | . | trans | -90.6 | 110.5 | 177 | -170.5 | -6.2 | 0 | 0 | 0 | 109.1 | A507 H513 | A507-D511 WeakPolarHBondContact O-CB 3.49Å; A507-D511 PolarHBondContact O-N 3.24Å; D511-H513 PolarHBondContact O-N 3.36Å; D511-H513 PolarHBondContact OD1-N 3.1Å | ||
| 512 | P | 75.7 | Confident | 79.9 | Confident | 117 Ų | 117 | 96 Ų | 96 | 76% | 0.76 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -67.7 | -13.9 | 176.5 | 28.5 | -34 | 0 | 0 | 0 | 112.4 | N510 | N510-P512 WeakPolarHBondContact O-CD 3.29Š|
| 513 | H | 72.1 | Confident | 79.7 | Confident | 144 Ų | 144 | 96 Ų | 96 | 67% | 0.667 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -102.5 | 129.3 | 178.7 | -62.4 | -67.2 | 0 | 0 | 0 | 111.3 | D511 A515 | D511-H513 PolarHBondContact O-N 3.36Å; D511-H513 PolarHBondContact OD1-N 3.1Å; H513-A515 PolarHBondContact O-N 3.3Å |
| 514 | L | 71.2 | Confident | 79.5 | Confident | 129 Ų | 129 | 96.6 Ų | 96.6 | 68% | 0.675 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 121.4 | 169.5 | -71.5 | 167.4 | 0 | 0 | 0 | 109.2 | L516 T519 | L514-L516 PolarHBondContact O-N 3.32Å; L514-T519 HydrophobicContact CB-CG2 3.58Å; L514-T519 HydrophobicContact CD1-CG2 4.15Å; L514-T519 HydrophobicContact CG-CG2 4.5Å |
| 515 | A | 72.8 | Confident | 79.6 | Confident | 40 Ų | 40 | 98.7 Ų | 98.7 | 33% | 0.331 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -50.5 | 129.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | H513 S517 Q518 T519 | H513-A515 PolarHBondContact O-N 3.3Å; A515-S517 PolarHBondContact O-N 3.17Å; A515-Q518 HydrophobicContact CB-CG 4.33Å; A515-Q518 WeakPolarHBondContact O-CB 3.27Å; A515-Q518 PolarHBondContact O-N 2.85Å; A515-T519 PolarHBondContact O-N 3.5Å |
| 516 | L | 66.4 | Low | 79.9 | Confident | 127 Ų | 127 | 96.4 Ų | 96.4 | 67% | 0.665 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -52.4 | -34 | -178.8 | -76.1 | 167.9 | 0 | 0 | 0 | 112.7 | L514 Q518 T519 N520 | L514-L516 PolarHBondContact O-N 3.32Å; L516-Q518 PolarHBondContact O-N 3.29Å; L516-T519 PolarHBondContact O-N 3.17Å; L516-T519 PolarHBondContact O-OG1 2.91Å; L516-N520 VanDerWaalsContact O-CB 3.24Å; L516-N520 WeakPolarHBondContact O-CB 3.46Å; L516-N520 PolarHBondContact O-N 2.86Å; L516-N520 PolarHBondContact O-ND2 2.79Å; L516-N520 PolarHBondContact O-OD1 3.43Å |
| 517 | S | 73.8 | Confident | 80.3 | Confident | 82 Ų | 82 | 94 Ų | 94 | 57% | 0.573 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.7 | -26.4 | 176.9 | 62.5 | 0 | 0 | 0 | 0 | 114.1 | A515 | A515-S517 PolarHBondContact O-N 3.17Å |
| 518 | Q | 75.1 | Confident | 80.9 | Confident | 88 Ų | 88 | 99 Ų | 99 | 41% | 0.411 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -84.2 | -42.6 | 176.6 | -60.5 | -176.9 | 5.7 | 0 | 0 | 111.2 | A515 L516 | A515-Q518 HydrophobicContact CB-CG 4.33Å; A515-Q518 WeakPolarHBondContact O-CB 3.27Å; A515-Q518 PolarHBondContact O-N 2.85Å; L516-Q518 PolarHBondContact O-N 3.29Å |
| 519 | T | 77.9 | Confident | 81.6 | Confident | 26 Ų | 26 | 102.2 Ų | 102.2 | 16% | 0.16 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -75.4 | -31 | -178.2 | 60.8 | 0 | 0 | 0 | 0 | 113 | L514 A515 L516 K521 S522 K523 | L514-T519 HydrophobicContact CB-CG2 3.58Å; L514-T519 HydrophobicContact CD1-CG2 4.15Å; L514-T519 HydrophobicContact CG-CG2 4.5Å; A515-T519 PolarHBondContact O-N 3.5Å; L516-T519 PolarHBondContact O-N 3.17Å; L516-T519 PolarHBondContact O-OG1 2.91Å; T519-K521 VanDerWaalsContact C-N 3.29Å; T519-K521 PolarHBondContact O-N 3.45Å; T519-S522 PolarHBondContact O-N 3.17Å; T519-S522 PolarHBondContact O-OG 3.37Å; T519-K523 WeakPolarHBondContact O-CB 3.27Å; T519-K523 VanDerWaalsContact O-CG 3.3Å; T519-K523 WeakPolarHBondContact O-CG 3.2Å; T519-K523 PolarHBondContact O-N 3.36Å |
| 520 | N | 80.4 | Confident | 82.4 | Confident | 80 Ų | 80 | 103.1 Ų | 103.1 | 43% | 0.428 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -38.6 | 178.7 | -71.4 | -11 | 0 | 0 | 0 | 111.6 | L516 L524 | L516-N520 VanDerWaalsContact O-CB 3.24Å; L516-N520 WeakPolarHBondContact O-CB 3.46Å; L516-N520 PolarHBondContact O-N 2.86Å; L516-N520 PolarHBondContact O-ND2 2.79Å; L516-N520 PolarHBondContact O-OD1 3.43Å; N520-L524 VanDerWaalsContact O-CB 3.3Å; N520-L524 WeakPolarHBondContact O-CB 3.29Å; N520-L524 WeakPolarHBondContact O-CD1 3.42Å; N520-L524 WeakPolarHBondContact O-CG 3.38Å; N520-L524 PolarHBondContact O-N 2.84Å |
| 521 | K | 84.5 | Confident | 83.1 | Confident | 132 Ų | 132 | 102.2 Ų | 102.2 | 57% | 0.574 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.5 | -38.8 | -178.5 | -67 | -176.8 | -176.6 | 179.6 | 0 | 112.9 | T519 K525 | T519-K521 VanDerWaalsContact C-N 3.29Å; T519-K521 PolarHBondContact O-N 3.45Å; K521-K525 WeakPolarHBondContact O-CG 3.43Å; K521-K525 PolarHBondContact O-N 2.8Å |
| 522 | S | 84 | Confident | 83.9 | Confident | 55 Ų | 55 | 103.8 Ų | 103.8 | 39% | 0.385 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.2 | -44.8 | 175.5 | 55.3 | 0 | 0 | 0 | 0 | 111 | T519 L524 K525 E526 | T519-S522 PolarHBondContact O-N 3.17Å; T519-S522 PolarHBondContact O-OG 3.37Å; S522-L524 PolarHBondContact O-N 3.26Å; S522-K525 WeakPolarHBondContact O-CB 3.41Å; S522-K525 PolarHBondContact O-N 3.01Å; S522-E526 PolarHBondContact O-N 2.99Å |
| 523 | K | 88.4 | Confident | 84.8 | Confident | 106 Ų | 106 | 102.4 Ų | 102.4 | 46% | 0.461 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.3 | -43 | 176.1 | -73.5 | -178.8 | 176.7 | -176.3 | 0 | 112.6 | T519 K525 E526 F527 | T519-K523 WeakPolarHBondContact O-CB 3.27Å; T519-K523 VanDerWaalsContact O-CG 3.3Å; T519-K523 WeakPolarHBondContact O-CG 3.2Å; T519-K523 PolarHBondContact O-N 3.36Å; K523-K525 VanDerWaalsContact C-N 3.3Å; K523-K525 PolarHBondContact O-N 3.01Å; K523-E526 WeakPolarHBondContact O-CB 3.46Å; K523-E526 PolarHBondContact O-N 3.27Å; K523-E526 VanDerWaalsContact O-N 3.16Å; K523-F527 HydrophobicContact CB-CE2 4.2Å; K523-F527 WeakPolarHBondContact O-CD2 3.45Å; K523-F527 WeakPolarHBondContact O-CG 3.46Å; K523-F527 PolarHBondContact O-N 3.29Å |
| 524 | L | 88.2 | Confident | 86 | Confident | 96 Ų | 96 | 103 Ų | 103 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.1 | -40.3 | 173.7 | -89.2 | 153.8 | 0 | 0 | 0 | 112.4 | N520 S522 R528 | N520-L524 VanDerWaalsContact O-CB 3.3Å; N520-L524 WeakPolarHBondContact O-CB 3.29Å; N520-L524 WeakPolarHBondContact O-CD1 3.42Å; N520-L524 WeakPolarHBondContact O-CG 3.38Å; N520-L524 PolarHBondContact O-N 2.84Å; S522-L524 PolarHBondContact O-N 3.26Å; L524-R528 VanDerWaalsContact O-CG 3.31Å; L524-R528 WeakPolarHBondContact O-CG 3.28Å; L524-R528 PolarHBondContact O-N 2.98Å |
| 525 | K | 90.9 | Very high | 87.1 | Confident | 139 Ų | 139 | 102.7 Ų | 102.7 | 60% | 0.604 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.7 | -38 | 175.8 | -71.7 | 180 | 178.3 | -170.1 | 0 | 112.1 | K521 S522 K523 R528 K529 | K521-K525 WeakPolarHBondContact O-CG 3.43Å; K521-K525 PolarHBondContact O-N 2.8Å; S522-K525 WeakPolarHBondContact O-CB 3.41Å; S522-K525 PolarHBondContact O-N 3.01Å; K523-K525 VanDerWaalsContact C-N 3.3Å; K523-K525 PolarHBondContact O-N 3.01Å; K525-R528 PolarHBondContact O-N 3.45Å; K525-K529 WeakPolarHBondContact O-CG 3.49Å; K525-K529 PolarHBondContact O-N 3.47Å |
| 526 | E | 93 | Very high | 88.3 | Confident | 105 Ų | 105 | 108.9 Ų | 108.9 | 49% | 0.491 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 175 | -73.3 | 168.6 | -169.8 | 0 | 0 | 111.3 | S522 K523 R528 K529 Q530 | S522-E526 PolarHBondContact O-N 2.99Å; K523-E526 WeakPolarHBondContact O-CB 3.46Å; K523-E526 PolarHBondContact O-N 3.27Å; K523-E526 VanDerWaalsContact O-N 3.16Å; E526-R528 PolarHBondContact O-N 2.88Å; E526-K529 WeakPolarHBondContact O-CB 3.22Å; E526-K529 PolarHBondContact O-N 3.35Å; E526-K529 VanDerWaalsContact O-N 3.16Å; E526-Q530 WeakPolarHBondContact O-CG 3.15Å; E526-Q530 PolarHBondContact O-N 3.09Å |
| 527 | F | 94 | Very high | 89.7 | Confident | 117 Ų | 117 | 107.5 Ų | 107.5 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 175.7 | -66.5 | -43.6 | 0 | 0 | 0 | 112.3 | K523 K529 Q530 D531 | K523-F527 HydrophobicContact CB-CE2 4.2Å; K523-F527 WeakPolarHBondContact O-CD2 3.45Å; K523-F527 WeakPolarHBondContact O-CG 3.46Å; K523-F527 PolarHBondContact O-N 3.29Å; F527-K529 VanDerWaalsContact C-N 3.34Å; F527-K529 PolarHBondContact O-N 3Å; F527-Q530 PolarHBondContact O-N 3.41Å; F527-D531 PolarHBondContact O-N 3.25Å |
| 528 | R | 95.2 | Very high | 90.7 | Very high | 155 Ų | 155 | 110.7 Ų | 110.7 | 59% | 0.585 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.4 | -43.4 | 174 | -72 | 175.1 | -173.2 | -172.1 | -0.8 | 112.3 | L524 K525 E526 D531 I532 | L524-R528 VanDerWaalsContact O-CG 3.31Å; L524-R528 WeakPolarHBondContact O-CG 3.28Å; L524-R528 PolarHBondContact O-N 2.98Å; K525-R528 PolarHBondContact O-N 3.45Å; E526-R528 PolarHBondContact O-N 2.88Å; R528-D531 PolarHBondContact O-N 3.39Å; R528-I532 WeakPolarHBondContact O-CD1 3.3Å; R528-I532 VanDerWaalsContact O-CG1 3.27Å; R528-I532 WeakPolarHBondContact O-CG1 3.4Å; R528-I532 PolarHBondContact O-N 3.15Å |
| 529 | K | 95.4 | Very high | 91.7 | Very high | 155 Ų | 155 | 112.8 Ų | 112.8 | 67% | 0.674 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.7 | -42 | 176.3 | -74 | 178.6 | 178.2 | -172.8 | 0 | 111.9 | K525 E526 F527 D531 I532 Q533 | K525-K529 WeakPolarHBondContact O-CG 3.49Å; K525-K529 PolarHBondContact O-N 3.47Å; E526-K529 WeakPolarHBondContact O-CB 3.22Å; E526-K529 PolarHBondContact O-N 3.35Å; E526-K529 VanDerWaalsContact O-N 3.16Å; F527-K529 VanDerWaalsContact C-N 3.34Å; F527-K529 PolarHBondContact O-N 3Å; K529-D531 VanDerWaalsContact C-N 3.34Å; K529-I532 PolarHBondContact O-N 3.11Å; K529-Q533 WeakPolarHBondContact O-CB 3.27Å; K529-Q533 PolarHBondContact O-N 3.28Å |
| 530 | Q | 95.1 | Very high | 92.6 | Very high | 103 Ų | 103 | 117.1 Ų | 117.1 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 176.8 | -71.8 | 172.5 | 3.5 | 0 | 0 | 111.4 | E526 F527 Q533 R534 | E526-Q530 WeakPolarHBondContact O-CG 3.15Å; E526-Q530 PolarHBondContact O-N 3.09Å; F527-Q530 PolarHBondContact O-N 3.41Å; Q530-Q533 PolarHBondContact O-N 2.83Å; Q530-R534 WeakPolarHBondContact O-CB 3.45Å; Q530-R534 WeakPolarHBondContact O-CG 3.21Å; Q530-R534 PolarHBondContact O-N 2.99Å |
| 531 | D | 92.6 | Very high | 93.3 | Very high | 70 Ų | 70 | 118.5 Ų | 118.5 | 37% | 0.374 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 175.4 | -78.5 | -4.8 | 0 | 0 | 0 | 112.3 | F527 R528 K529 Q533 R534 K535 | F527-D531 PolarHBondContact O-N 3.25Å; R528-D531 PolarHBondContact O-N 3.39Å; K529-D531 VanDerWaalsContact C-N 3.34Å; D531-Q533 VanDerWaalsContact C-N 3.3Å; D531-Q533 PolarHBondContact O-N 2.76Å; D531-R534 PolarHBondContact O-N 2.81Å; D531-R534 IonicContact OD1-CZ 2.78Å; D531-R534 IonicContact OD1-NE 2.63Å; D531-R534 IonicContact OD1-NH2 3.51Å; D531-R534 PolarHBondContact OD1-NH2 3.41Å; D531-K535 WeakPolarHBondContact O-CB 3.44Å; D531-K535 WeakPolarHBondContact O-CG 3.23Å; D531-K535 PolarHBondContact O-N 3.31Å |
| 532 | I | 95.3 | Very high | 93.8 | Very high | 113 Ų | 113 | 114.3 Ų | 114.3 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.8 | -43.3 | 175.7 | -67.1 | 164.1 | 0 | 0 | 0 | 110.3 | R528 K529 K535 R536 | R528-I532 WeakPolarHBondContact O-CD1 3.3Å; R528-I532 VanDerWaalsContact O-CG1 3.27Å; R528-I532 WeakPolarHBondContact O-CG1 3.4Å; R528-I532 PolarHBondContact O-N 3.15Å; K529-I532 PolarHBondContact O-N 3.11Å; I532-K535 PolarHBondContact O-N 3.38Å; I532-R536 PolarHBondContact O-N 3.09Å |
| 533 | Q | 95.1 | Very high | 94.4 | Very high | 88 Ų | 88 | 118.7 Ų | 118.7 | 41% | 0.411 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -47.8 | 178.3 | -177.3 | 61.6 | 20.6 | 0 | 0 | 111.7 | K529 Q530 D531 K535 R536 E537 | K529-Q533 WeakPolarHBondContact O-CB 3.27Å; K529-Q533 PolarHBondContact O-N 3.28Å; Q530-Q533 PolarHBondContact O-N 2.83Å; D531-Q533 VanDerWaalsContact C-N 3.3Å; D531-Q533 PolarHBondContact O-N 2.76Å; Q533-K535 VanDerWaalsContact C-N 3.33Å; Q533-K535 PolarHBondContact O-N 2.97Å; Q533-R536 WeakPolarHBondContact O-CB 3.39Å; Q533-R536 PolarHBondContact O-N 3.07Å; Q533-R536 VanDerWaalsContact O-N 3.09Å; Q533-E537 WeakPolarHBondContact CG-OE1 3.34Å; Q533-E537 PolarHBondContact NE2-OE1 2.85Å; Q533-E537 WeakPolarHBondContact O-CG 3.3Å; Q533-E537 PolarHBondContact O-N 2.98Å |
| 534 | R | 96.6 | Very high | 94.7 | Very high | 158 Ų | 158 | 118.6 Ų | 118.6 | 60% | 0.596 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.3 | -42.6 | 176.3 | -74.7 | -169.2 | -68.9 | 177.9 | -3.6 | 112.1 | Q530 D531 R536 E537 Y538 | Q530-R534 WeakPolarHBondContact O-CB 3.45Å; Q530-R534 WeakPolarHBondContact O-CG 3.21Å; Q530-R534 PolarHBondContact O-N 2.99Å; D531-R534 PolarHBondContact O-N 2.81Å; D531-R534 IonicContact OD1-CZ 2.78Å; D531-R534 IonicContact OD1-NE 2.63Å; D531-R534 IonicContact OD1-NH2 3.51Å; D531-R534 PolarHBondContact OD1-NH2 3.41Å; R534-R536 VanDerWaalsContact C-N 3.31Å; R534-R536 PolarHBondContact O-N 3.07Å; R534-E537 PolarHBondContact O-N 3.48Å; R534-Y538 WeakPolarHBondContact O-CB 3.48Å; R534-Y538 PolarHBondContact O-N 2.91Å |
| 535 | K | 95.4 | Very high | 94.9 | Very high | 121 Ų | 121 | 117.3 Ų | 117.3 | 53% | 0.526 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 175.1 | -75.6 | 179.3 | 179.9 | -175.3 | 0 | 111.4 | D531 I532 Q533 R539 | D531-K535 WeakPolarHBondContact O-CB 3.44Å; D531-K535 WeakPolarHBondContact O-CG 3.23Å; D531-K535 PolarHBondContact O-N 3.31Å; I532-K535 PolarHBondContact O-N 3.38Å; Q533-K535 VanDerWaalsContact C-N 3.33Å; Q533-K535 PolarHBondContact O-N 2.97Å; K535-R539 VanDerWaalsContact O-CG 3.27Å; K535-R539 WeakPolarHBondContact O-CG 3.4Å; K535-R539 PolarHBondContact O-N 2.97Å |
| 536 | R | 96.3 | Very high | 94.9 | Very high | 171 Ų | 171 | 118.7 Ų | 118.7 | 65% | 0.645 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.9 | -46.5 | 178 | -175 | 179.6 | -178.4 | 170.4 | 2.3 | 111.9 | I532 Q533 R534 R539 Q540 | I532-R536 PolarHBondContact O-N 3.09Å; Q533-R536 WeakPolarHBondContact O-CB 3.39Å; Q533-R536 PolarHBondContact O-N 3.07Å; Q533-R536 VanDerWaalsContact O-N 3.09Å; R534-R536 VanDerWaalsContact C-N 3.31Å; R534-R536 PolarHBondContact O-N 3.07Å; R536-R539 PolarHBondContact O-N 2.95Å; R536-Q540 PolarHBondContact O-N 3.28Å |
| 537 | E | 96.1 | Very high | 94.8 | Very high | 98 Ų | 98 | 119 Ų | 119 | 46% | 0.458 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 177 | -73 | 167.9 | -173.3 | 0 | 0 | 110.9 | Q533 R534 R539 Q540 E541 | Q533-E537 WeakPolarHBondContact CG-OE1 3.34Å; Q533-E537 PolarHBondContact NE2-OE1 2.85Å; Q533-E537 WeakPolarHBondContact O-CG 3.3Å; Q533-E537 PolarHBondContact O-N 2.98Å; R534-E537 PolarHBondContact O-N 3.48Å; E537-R539 PolarHBondContact O-N 3.25Å; E537-Q540 WeakPolarHBondContact O-CB 3.46Å; E537-Q540 PolarHBondContact O-N 2.93Å; E537-Q540 VanDerWaalsContact O-N 3.11Å; E537-E541 PolarHBondContact O-N 2.91Å |
| 538 | Y | 96.2 | Very high | 94.6 | Very high | 148 Ų | 148 | 119.8 Ų | 119.8 | 58% | 0.58 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -57.2 | -47.4 | 175.5 | 176.8 | -107.8 | 0 | 0 | 0 | 112.2 | R534 Q540 E541 I542 | R534-Y538 WeakPolarHBondContact O-CB 3.48Å; R534-Y538 PolarHBondContact O-N 2.91Å; Y538-Q540 VanDerWaalsContact C-N 3.28Å; Y538-Q540 PolarHBondContact O-N 2.99Å; Y538-E541 PolarHBondContact O-N 2.93Å; Y538-I542 HydrophobicContact CD1-CG1 4.4Å; Y538-I542 HydrophobicContact CD2-CG1 4.46Å; Y538-I542 HydrophobicContact CE1-CD1 4.49Å; Y538-I542 HydrophobicContact CE1-CG1 4Å; Y538-I542 HydrophobicContact CE2-CD1 3.9Å; Y538-I542 HydrophobicContact CE2-CG1 4.07Å; Y538-I542 WeakPolarHBondContact O-CG1 3.49Å; Y538-I542 PolarHBondContact O-N 3.39Å |
| 539 | R | 95.9 | Very high | 94.3 | Very high | 133 Ų | 133 | 117.6 Ų | 117.6 | 50% | 0.502 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.4 | -37.7 | 177 | -71.4 | 176.4 | -159.9 | -172.4 | 2.6 | 112.3 | K535 R536 E537 R543 E639 | K535-R539 VanDerWaalsContact O-CG 3.27Å; K535-R539 WeakPolarHBondContact O-CG 3.4Å; K535-R539 PolarHBondContact O-N 2.97Å; R536-R539 PolarHBondContact O-N 2.95Å; E537-R539 PolarHBondContact O-N 3.25Å; R539-R543 PolarHBondContact O-N 3.36Å; R539-R543 VanDerWaalsContact O-N 3.07Å; R539-E639 IonicContact CZ-OE1 2.85Å; R539-E639 VanDerWaalsContact CZ-OE1 3.22Å; R539-E639 IonicContact NH1-OE1 2.8Å; R539-E639 PolarHBondContact NH1-OE1 2.95Å; R539-E639 IonicContact NH2-OE1 2.69Å; R539-E639 PolarHBondContact NH2-OE1 3.13Å |
| 540 | Q | 95.1 | Very high | 93.8 | Very high | 116 Ų | 116 | 117.7 Ų | 117.7 | 54% | 0.542 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.8 | -43.4 | 177.1 | -175.3 | 171.3 | -1.6 | 0 | 0 | 111.1 | R536 E537 Y538 R543 E544 | R536-Q540 PolarHBondContact O-N 3.28Å; E537-Q540 WeakPolarHBondContact O-CB 3.46Å; E537-Q540 PolarHBondContact O-N 2.93Å; E537-Q540 VanDerWaalsContact O-N 3.11Å; Y538-Q540 VanDerWaalsContact C-N 3.28Å; Y538-Q540 PolarHBondContact O-N 2.99Å; Q540-R543 WeakPolarHBondContact O-CB 3.33Å; Q540-R543 PolarHBondContact O-N 2.91Å; Q540-R543 VanDerWaalsContact O-N 3.13Å; Q540-E544 PolarHBondContact O-N 3.39Å |
| 541 | E | 96.1 | Very high | 93.3 | Very high | 110 Ų | 110 | 115.9 Ų | 115.9 | 51% | 0.514 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 176.1 | -172.2 | -179.8 | -174.7 | 0 | 0 | 111.8 | E537 Y538 R543 E544 M545 | E537-E541 PolarHBondContact O-N 2.91Å; Y538-E541 PolarHBondContact O-N 2.93Å; E541-R543 VanDerWaalsContact C-N 3.28Å; E541-R543 PolarHBondContact O-N 3Å; E541-E544 PolarHBondContact O-N 3.49Å; E541-M545 HydrophobicContact CG-CE 4.46Å; E541-M545 WeakPolarHBondContact O-CB 3.3Å; E541-M545 WeakPolarHBondContact O-CG 3.49Å; E541-M545 PolarHBondContact O-N 3.44Å |
| 542 | I | 95.6 | Very high | 93 | Very high | 43 Ų | 43 | 121 Ų | 121 | 22% | 0.221 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -58.4 | -41.7 | 173 | -65.7 | -53.5 | 0 | 0 | 0 | 111 | Y538 M545 R546 | Y538-I542 HydrophobicContact CD1-CG1 4.4Å; Y538-I542 HydrophobicContact CD2-CG1 4.46Å; Y538-I542 HydrophobicContact CE1-CD1 4.49Å; Y538-I542 HydrophobicContact CE1-CG1 4Å; Y538-I542 HydrophobicContact CE2-CD1 3.9Å; Y538-I542 HydrophobicContact CE2-CG1 4.07Å; Y538-I542 WeakPolarHBondContact O-CG1 3.49Å; Y538-I542 PolarHBondContact O-N 3.39Å; I542-M545 HydrophobicContact CD1-CE 3.32Å; I542-M545 HydrophobicContact CG1-CE 4.39Å; I542-M545 PolarHBondContact O-N 2.96Å; I542-R546 VanDerWaalsContact O-CG 3.3Å; I542-R546 WeakPolarHBondContact O-CG 3.46Å; I542-R546 PolarHBondContact O-N 3.2Å |
| 543 | R | 95.6 | Very high | 92.5 | Very high | 148 Ų | 148 | 118 Ų | 118 | 56% | 0.558 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.8 | -47.3 | 178.7 | -169.6 | -173.8 | -59.3 | 143 | 2.6 | 111.4 | R539 Q540 E541 M545 R546 E547 | R539-R543 PolarHBondContact O-N 3.36Å; R539-R543 VanDerWaalsContact O-N 3.07Å; Q540-R543 WeakPolarHBondContact O-CB 3.33Å; Q540-R543 PolarHBondContact O-N 2.91Å; Q540-R543 VanDerWaalsContact O-N 3.13Å; E541-R543 VanDerWaalsContact C-N 3.28Å; E541-R543 PolarHBondContact O-N 3Å; R543-M545 VanDerWaalsContact C-N 3.31Å; R543-M545 PolarHBondContact O-N 3.14Å; R543-R546 WeakPolarHBondContact O-CB 3.47Å; R543-R546 PolarHBondContact O-N 3.33Å; R543-R546 VanDerWaalsContact O-N 3.07Å; R543-E547 WeakPolarHBondContact CG-OE1 3.39Å; R543-E547 WeakPolarHBondContact O-CG 3.4Å; R543-E547 PolarHBondContact O-N 3.23Å |
| 544 | E | 95.6 | Very high | 92.2 | Very high | 104 Ų | 104 | 120 Ų | 120 | 49% | 0.486 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 177.3 | -170.2 | -169.2 | 149.4 | 0 | 0 | 111.3 | Q540 E541 R546 E547 R548 | Q540-E544 PolarHBondContact O-N 3.39Å; E541-E544 PolarHBondContact O-N 3.49Å; E544-R546 VanDerWaalsContact C-N 3.33Å; E544-R546 PolarHBondContact O-N 3.4Å; E544-E547 PolarHBondContact O-N 3.16Å; E544-R548 WeakPolarHBondContact O-CB 3.49Å; E544-R548 WeakPolarHBondContact O-CG 3.33Å; E544-R548 PolarHBondContact O-N 2.92Å |
| 545 | M | 91.6 | Very high | 91.8 | Very high | 69 Ų | 69 | 118.8 Ų | 118.8 | 34% | 0.34 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59 | -44.2 | 172.7 | -77.6 | -165.8 | -66 | 0 | 0 | 112 | E541 I542 R543 R548 V549 | E541-M545 HydrophobicContact CG-CE 4.46Å; E541-M545 WeakPolarHBondContact O-CB 3.3Å; E541-M545 WeakPolarHBondContact O-CG 3.49Å; E541-M545 PolarHBondContact O-N 3.44Å; I542-M545 HydrophobicContact CD1-CE 3.32Å; I542-M545 HydrophobicContact CG1-CE 4.39Å; I542-M545 PolarHBondContact O-N 2.96Å; R543-M545 VanDerWaalsContact C-N 3.31Å; R543-M545 PolarHBondContact O-N 3.14Å; M545-R548 PolarHBondContact O-N 2.86Å; M545-V549 VanDerWaalsContact O-CG2 3.26Å; M545-V549 WeakPolarHBondContact O-CG2 3.4Å; M545-V549 PolarHBondContact O-N 3.32Å |
| 546 | R | 91.2 | Very high | 91.6 | Very high | 167 Ų | 167 | 119.5 Ų | 119.5 | 63% | 0.63 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64 | -43.9 | 177.2 | -72.3 | 173.2 | -177.9 | -167.3 | 1.2 | 111.6 | I542 R543 E544 V549 Q550 | I542-R546 VanDerWaalsContact O-CG 3.3Å; I542-R546 WeakPolarHBondContact O-CG 3.46Å; I542-R546 PolarHBondContact O-N 3.2Å; R543-R546 WeakPolarHBondContact O-CB 3.47Å; R543-R546 PolarHBondContact O-N 3.33Å; R543-R546 VanDerWaalsContact O-N 3.07Å; E544-R546 VanDerWaalsContact C-N 3.33Å; E544-R546 PolarHBondContact O-N 3.4Å; R546-V549 PolarHBondContact O-N 2.91Å; R546-Q550 WeakPolarHBondContact O-CB 3.42Å; R546-Q550 VanDerWaalsContact O-CG 3.3Å; R546-Q550 WeakPolarHBondContact O-CG 3.36Å; R546-Q550 PolarHBondContact O-N 3.18Å |
| 547 | E | 91.1 | Very high | 91.3 | Very high | 112 Ų | 112 | 115.5 Ų | 115.5 | 52% | 0.523 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 176.6 | -73 | 170.6 | -168 | 0 | 0 | 111.5 | R543 E544 V549 Q550 G551 | R543-E547 WeakPolarHBondContact CG-OE1 3.39Å; R543-E547 WeakPolarHBondContact O-CG 3.4Å; R543-E547 PolarHBondContact O-N 3.23Å; E544-E547 PolarHBondContact O-N 3.16Å; E547-V549 VanDerWaalsContact C-N 3.28Å; E547-V549 PolarHBondContact O-N 3.47Å; E547-Q550 PolarHBondContact O-N 2.99Å; E547-G551 PolarHBondContact O-N 2.91Å |
| 548 | R | 90 | Very high | 91 | Very high | 133 Ų | 133 | 114.5 Ų | 114.5 | 50% | 0.502 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.1 | -34.3 | 174.4 | -74.2 | -168.6 | -65.3 | 134 | -8.7 | 113 | E544 M545 R552 | E544-R548 WeakPolarHBondContact O-CB 3.49Å; E544-R548 WeakPolarHBondContact O-CG 3.33Å; E544-R548 PolarHBondContact O-N 2.92Å; M545-R548 PolarHBondContact O-N 2.86Å; R548-R552 WeakPolarHBondContact O-CD 3.3Å; R548-R552 WeakPolarHBondContact O-CG 3.32Å |
| 549 | V | 88.8 | Confident | 90.9 | Very high | 109 Ų | 109 | 110.6 Ų | 110.6 | 66% | 0.661 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -74.7 | -40.9 | 176 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | M545 R546 E547 | M545-V549 VanDerWaalsContact O-CG2 3.26Å; M545-V549 WeakPolarHBondContact O-CG2 3.4Å; M545-V549 PolarHBondContact O-N 3.32Å; R546-V549 PolarHBondContact O-N 2.91Å; E547-V549 VanDerWaalsContact C-N 3.28Å; E547-V549 PolarHBondContact O-N 3.47Å |
| 550 | Q | 85.5 | Confident | 90.7 | Very high | 158 Ų | 158 | 107.9 Ų | 107.9 | 74% | 0.738 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.8 | -37.2 | 178.9 | -73.7 | 178.5 | -0.5 | 0 | 0 | 113.1 | R546 E547 R552 | R546-Q550 WeakPolarHBondContact O-CB 3.42Å; R546-Q550 VanDerWaalsContact O-CG 3.3Å; R546-Q550 WeakPolarHBondContact O-CG 3.36Å; R546-Q550 PolarHBondContact O-N 3.18Å; E547-Q550 PolarHBondContact O-N 2.99Å; Q550-R552 PolarHBondContact O-N 3.44Å |
| 551 | G | 83.3 | Confident | 90.5 | Very high | 65 Ų | 65 | 107.3 Ų | 107.3 | 67% | 0.67 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -6.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E547 P553 | E547-G551 PolarHBondContact O-N 2.91Å; G551-P553 WeakPolarHBondContact O-CD 3.49Å |
| 552 | R | 86.3 | Confident | 90.4 | Very high | 178 Ų | 178 | 108.7 Ų | 108.7 | 67% | 0.672 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -90.1 | 112.7 | 175.3 | -75.2 | 174.5 | 179.6 | -166.3 | -1 | 109 | R548 Q550 L554 | R548-R552 WeakPolarHBondContact O-CD 3.3Å; R548-R552 WeakPolarHBondContact O-CG 3.32Å; Q550-R552 PolarHBondContact O-N 3.44Å; R552-L554 PolarHBondContact O-N 3.05Å |
| 553 | P | 85.3 | Confident | 90.3 | Very high | 50 Ų | 50 | 111 Ų | 111 | 33% | 0.325 | 54% | 0.543 | S | S | . | . | trans | -62.6 | 135.3 | 178.1 | 24.7 | -31.9 | 0 | 0 | 0 | 109.5 | G551 E557 Q558 | G551-P553 WeakPolarHBondContact O-CD 3.49Å; P553-E557 HydrophobicContact CB-CB 4.46Å; P553-E557 HydrophobicContact CB-CG 4.47Å; P553-Q558 HydrophobicContact CB-CG 3.95Å; P553-Q558 HydrophobicContact CG-CG 3.83Å; P553-Q558 PolarHBondContact O-NE2 2.9Å | ||
| 554 | L | 88.1 | Confident | 90.1 | Very high | 128 Ų | 128 | 106.8 Ų | 106.8 | 67% | 0.67 | 54% | 0.54 | S | S | * | . | trans | -60.7 | 152.3 | 179.2 | -68.9 | 164.3 | 0 | 0 | 0 | 109.9 | R552 L556 E557 Q558 | R552-L554 PolarHBondContact O-N 3.05Å; L554-L556 PolarHBondContact O-N 3.24Å; L554-L556 VanDerWaalsContact O-N 3.17Å; L554-E557 HydrophobicContact CB-CB 4.21Å; L554-E557 CarbonylContact O-C 3.58Å; L554-E557 WeakPolarHBondContact O-CA 3.42Å; L554-E557 WeakPolarHBondContact O-CB 3.43Å; L554-E557 PolarHBondContact O-N 3.16Å; L554-Q558 WeakPolarHBondContact O-CG 3.4Å; L554-Q558 PolarHBondContact O-N 2.96Å | ||
| 555 | L | 89.5 | Confident | 90.1 | Very high | 134 Ų | 134 | 108.3 Ų | 108.3 | 70% | 0.702 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -55.3 | -39.4 | 179.7 | -174 | 67.9 | 0 | 0 | 0 | 111.9 | Q558 V559 | L555-Q558 PolarHBondContact O-N 3.12Å; L555-V559 VanDerWaalsContact O-CG2 3.3Å; L555-V559 WeakPolarHBondContact O-CG2 3.41Å; L555-V559 PolarHBondContact O-N 2.97Å |
| 556 | L | 91.4 | Very high | 90.1 | Very high | 135 Ų | 135 | 109.9 Ų | 109.9 | 71% | 0.707 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.6 | -42.5 | 175 | -176.8 | 62.8 | 0 | 0 | 0 | 111.8 | L554 V559 T560 | L554-L556 PolarHBondContact O-N 3.24Å; L554-L556 VanDerWaalsContact O-N 3.17Å; L556-V559 PolarHBondContact O-N 3.19Å; L556-T560 WeakPolarHBondContact O-CG2 3.47Å; L556-T560 PolarHBondContact O-N 2.76Å; L556-T560 PolarHBondContact O-OG1 3.5Å |
| 557 | E | 89.2 | Confident | 90.3 | Very high | 88 Ų | 88 | 104.7 Ų | 104.7 | 41% | 0.411 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | 177.3 | -167.5 | -173.1 | 169.5 | 0 | 0 | 111.9 | P553 L554 V559 T560 Q561 | P553-E557 HydrophobicContact CB-CB 4.46Å; P553-E557 HydrophobicContact CB-CG 4.47Å; L554-E557 HydrophobicContact CB-CB 4.21Å; L554-E557 CarbonylContact O-C 3.58Å; L554-E557 WeakPolarHBondContact O-CA 3.42Å; L554-E557 WeakPolarHBondContact O-CB 3.43Å; L554-E557 PolarHBondContact O-N 3.16Å; E557-V559 VanDerWaalsContact C-N 3.32Å; E557-V559 PolarHBondContact O-N 3.32Å; E557-T560 WeakPolarHBondContact CA-OG1 3.36Å; E557-T560 PolarHBondContact O-N 3.3Å; E557-T560 PolarHBondContact O-OG1 2.84Å; E557-Q561 WeakPolarHBondContact O-CB 3.49Å; E557-Q561 VanDerWaalsContact O-CG 3.24Å; E557-Q561 WeakPolarHBondContact O-CG 3.46Å; E557-Q561 PolarHBondContact O-N 3.35Å; E557-Q561 PolarHBondContact OE1-NE2 3.37Å |
| 558 | Q | 89.8 | Confident | 90.3 | Very high | 76 Ų | 76 | 102.3 Ų | 102.3 | 36% | 0.355 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 174 | -66.2 | 178.8 | 12.9 | 0 | 0 | 111.7 | P553 L554 L555 K562 | P553-Q558 HydrophobicContact CB-CG 3.95Å; P553-Q558 HydrophobicContact CG-CG 3.83Å; P553-Q558 PolarHBondContact O-NE2 2.9Å; L554-Q558 WeakPolarHBondContact O-CG 3.4Å; L554-Q558 PolarHBondContact O-N 2.96Å; L555-Q558 PolarHBondContact O-N 3.12Å; Q558-K562 WeakPolarHBondContact O-CB 3.37Å; Q558-K562 WeakPolarHBondContact O-CG 3.23Å; Q558-K562 PolarHBondContact O-N 3.13Å |
| 559 | V | 93.3 | Very high | 90.4 | Very high | 67 Ų | 67 | 100.2 Ų | 100.2 | 41% | 0.406 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.5 | -42.7 | 176.8 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | L555 L556 E557 K562 N563 | L555-V559 VanDerWaalsContact O-CG2 3.3Å; L555-V559 WeakPolarHBondContact O-CG2 3.41Å; L555-V559 PolarHBondContact O-N 2.97Å; L556-V559 PolarHBondContact O-N 3.19Å; E557-V559 VanDerWaalsContact C-N 3.32Å; E557-V559 PolarHBondContact O-N 3.32Å; V559-K562 PolarHBondContact O-N 2.93Å; V559-N563 WeakPolarHBondContact O-CB 3.3Å; V559-N563 PolarHBondContact O-N 3.33Å; V559-N563 PolarHBondContact O-ND2 2.94Å |
| 560 | T | 93.3 | Very high | 90.5 | Very high | 75 Ų | 75 | 101.3 Ų | 101.3 | 46% | 0.46 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 176.3 | 56.6 | 0 | 0 | 0 | 0 | 111.8 | L556 E557 N563 A564 | L556-T560 WeakPolarHBondContact O-CG2 3.47Å; L556-T560 PolarHBondContact O-N 2.76Å; L556-T560 PolarHBondContact O-OG1 3.5Å; E557-T560 WeakPolarHBondContact CA-OG1 3.36Å; E557-T560 PolarHBondContact O-N 3.3Å; E557-T560 PolarHBondContact O-OG1 2.84Å; T560-N563 PolarHBondContact O-N 3.34Å; T560-A564 VanDerWaalsContact O-CB 3.28Å; T560-A564 WeakPolarHBondContact O-CB 3.47Å; T560-A564 PolarHBondContact O-N 3.48Å |
| 561 | Q | 90.7 | Very high | 90.8 | Very high | 104 Ų | 104 | 99.7 Ų | 99.7 | 49% | 0.486 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 174.5 | -74 | 176.6 | 10.7 | 0 | 0 | 112 | E557 A564 K565 | E557-Q561 WeakPolarHBondContact O-CB 3.49Å; E557-Q561 VanDerWaalsContact O-CG 3.24Å; E557-Q561 WeakPolarHBondContact O-CG 3.46Å; E557-Q561 PolarHBondContact O-N 3.35Å; E557-Q561 PolarHBondContact OE1-NE2 3.37Å; Q561-A564 PolarHBondContact O-N 2.94Å; Q561-K565 WeakPolarHBondContact O-CB 3.47Å; Q561-K565 PolarHBondContact O-N 3.46Å |
| 562 | K | 92.6 | Very high | 91.1 | Very high | 139 Ų | 139 | 101.1 Ų | 101.1 | 60% | 0.604 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.8 | -44.3 | 176.1 | -77.1 | -179.6 | 178.7 | 179.4 | 0 | 112.1 | Q558 V559 K565 Q566 | Q558-K562 WeakPolarHBondContact O-CB 3.37Å; Q558-K562 WeakPolarHBondContact O-CG 3.23Å; Q558-K562 PolarHBondContact O-N 3.13Å; V559-K562 PolarHBondContact O-N 2.93Å; K562-K565 PolarHBondContact O-N 2.72Å; K562-Q566 WeakPolarHBondContact O-CB 3.35Å; K562-Q566 WeakPolarHBondContact O-CG 3.48Å; K562-Q566 PolarHBondContact O-N 3Å |
| 563 | N | 94.1 | Very high | 91.2 | Very high | 91 Ų | 91 | 96.3 Ų | 96.3 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 177.8 | -72.4 | -11.2 | 0 | 0 | 0 | 111.7 | V559 T560 Q566 A567 | V559-N563 WeakPolarHBondContact O-CB 3.3Å; V559-N563 PolarHBondContact O-N 3.33Å; V559-N563 PolarHBondContact O-ND2 2.94Å; T560-N563 PolarHBondContact O-N 3.34Å; N563-Q566 PolarHBondContact O-N 3.12Å; N563-A567 WeakPolarHBondContact O-CB 3.46Å; N563-A567 PolarHBondContact O-N 3.07Å |
| 564 | A | 92.5 | Very high | 91.4 | Very high | 61 Ų | 61 | 99.7 Ų | 99.7 | 50% | 0.504 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T560 Q561 A567 A568 | T560-A564 VanDerWaalsContact O-CB 3.28Å; T560-A564 WeakPolarHBondContact O-CB 3.47Å; T560-A564 PolarHBondContact O-N 3.48Å; Q561-A564 PolarHBondContact O-N 2.94Å; A564-A567 PolarHBondContact O-N 2.97Å; A564-A568 WeakPolarHBondContact O-CB 3.41Å; A564-A568 PolarHBondContact O-N 3.39Å |
| 565 | K | 93.9 | Very high | 91.5 | Very high | 135 Ų | 135 | 96.4 Ų | 96.4 | 59% | 0.587 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.1 | -48.3 | 174.7 | -170.7 | -173.8 | -175.5 | -154 | 0 | 111.4 | Q561 K562 A567 A568 E569 | Q561-K565 WeakPolarHBondContact O-CB 3.47Å; Q561-K565 PolarHBondContact O-N 3.46Å; K562-K565 PolarHBondContact O-N 2.72Å; K565-A567 VanDerWaalsContact C-N 3.32Å; K565-A567 PolarHBondContact O-N 3.35Å; K565-A568 PolarHBondContact O-N 3.05Å; K565-E569 WeakPolarHBondContact CE-OE1 3.49Å; K565-E569 IonicContact NZ-OE1 2.83Å; K565-E569 PolarHBondContact NZ-OE1 2.87Å; K565-E569 WeakPolarHBondContact O-CB 3.23Å; K565-E569 WeakPolarHBondContact O-CG 3.49Å; K565-E569 PolarHBondContact O-N 2.87Å |
| 566 | Q | 92.9 | Very high | 91.4 | Very high | 103 Ų | 103 | 91 Ų | 91 | 48% | 0.481 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.8 | -38 | 177.1 | -73.3 | 178.7 | 0.6 | 0 | 0 | 112.2 | K562 N563 E569 K570 | K562-Q566 WeakPolarHBondContact O-CB 3.35Å; K562-Q566 WeakPolarHBondContact O-CG 3.48Å; K562-Q566 PolarHBondContact O-N 3Å; N563-Q566 PolarHBondContact O-N 3.12Å; Q566-E569 PolarHBondContact O-N 3.4Å; Q566-K570 WeakPolarHBondContact O-CB 3.29Å; Q566-K570 VanDerWaalsContact O-CG 3.24Å; Q566-K570 WeakPolarHBondContact O-CG 3.5Å; Q566-K570 PolarHBondContact O-N 3.26Å |
| 567 | A | 93.9 | Very high | 91 | Very high | 57 Ų | 57 | 91.5 Ų | 91.5 | 47% | 0.471 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N563 A564 K565 K570 H571 | N563-A567 WeakPolarHBondContact O-CB 3.46Å; N563-A567 PolarHBondContact O-N 3.07Å; A564-A567 PolarHBondContact O-N 2.97Å; K565-A567 VanDerWaalsContact C-N 3.32Å; K565-A567 PolarHBondContact O-N 3.35Å; A567-K570 PolarHBondContact O-N 3.01Å; A567-H571 WeakPolarHBondContact O-CB 3.21Å; A567-H571 PolarHBondContact O-N 3.23Å |
| 568 | A | 91.7 | Very high | 90.8 | Very high | 63 Ų | 63 | 90.6 Ų | 90.6 | 52% | 0.521 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A564 K565 H571 Y572 | A564-A568 WeakPolarHBondContact O-CB 3.41Å; A564-A568 PolarHBondContact O-N 3.39Å; K565-A568 PolarHBondContact O-N 3.05Å; A568-H571 PolarHBondContact O-N 3.21Å; A568-Y572 WeakPolarHBondContact O-CB 3.38Å; A568-Y572 PolarHBondContact O-N 2.84Å |
| 569 | E | 91.6 | Very high | 90.5 | Very high | 89 Ų | 89 | 90.9 Ų | 90.9 | 42% | 0.416 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 174.2 | -75.7 | 171.6 | -177.2 | 0 | 0 | 111.2 | K565 Q566 Y572 I573 | K565-E569 WeakPolarHBondContact CE-OE1 3.49Å; K565-E569 IonicContact NZ-OE1 2.83Å; K565-E569 PolarHBondContact NZ-OE1 2.87Å; K565-E569 WeakPolarHBondContact O-CB 3.23Å; K565-E569 WeakPolarHBondContact O-CG 3.49Å; K565-E569 PolarHBondContact O-N 2.87Å; Q566-E569 PolarHBondContact O-N 3.4Å; E569-Y572 WeakPolarHBondContact O-CB 3.29Å; E569-Y572 PolarHBondContact O-N 3.26Å; E569-I573 VanDerWaalsContact O-CG1 3.28Å; E569-I573 WeakPolarHBondContact O-CG1 3.34Å; E569-I573 PolarHBondContact O-N 2.89Å |
| 570 | K | 92 | Very high | 89.8 | Confident | 132 Ų | 132 | 96.6 Ų | 96.6 | 57% | 0.574 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.8 | -49.1 | 174.1 | -76.6 | 177.1 | 179.7 | -172.9 | 0 | 111.7 | Q566 A567 Y572 I573 E574 | Q566-K570 WeakPolarHBondContact O-CB 3.29Å; Q566-K570 VanDerWaalsContact O-CG 3.24Å; Q566-K570 WeakPolarHBondContact O-CG 3.5Å; Q566-K570 PolarHBondContact O-N 3.26Å; A567-K570 PolarHBondContact O-N 3.01Å; K570-Y572 VanDerWaalsContact C-N 3.3Å; K570-Y572 PolarHBondContact O-N 2.96Å; K570-I573 PolarHBondContact O-N 2.85Å; K570-E574 WeakPolarHBondContact O-CB 3.11Å; K570-E574 VanDerWaalsContact O-CG 3.31Å; K570-E574 WeakPolarHBondContact O-CG 3.23Å; K570-E574 PolarHBondContact O-N 2.91Å |
| 571 | H | 90.4 | Very high | 89.1 | Confident | 123 Ų | 123 | 95.3 Ų | 95.3 | 57% | 0.569 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.2 | -41.3 | 177.3 | -175 | -80.7 | 0 | 0 | 0 | 111.4 | A567 A568 E574 T575 | A567-H571 WeakPolarHBondContact O-CB 3.21Å; A567-H571 PolarHBondContact O-N 3.23Å; A568-H571 PolarHBondContact O-N 3.21Å; H571-E574 PolarHBondContact O-N 3.2Å; H571-T575 WeakPolarHBondContact O-CB 3.33Å; H571-T575 VanDerWaalsContact O-CG2 3.25Å; H571-T575 WeakPolarHBondContact O-CG2 3.47Å; H571-T575 PolarHBondContact O-N 2.91Å; H571-T575 PolarHBondContact O-OG1 3.49Å; H571-T575 VanDerWaalsContact O-OG1 3.1Å |
| 572 | Y | 90.2 | Very high | 88.6 | Confident | 95 Ų | 95 | 94.7 Ų | 94.7 | 37% | 0.373 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.8 | -51.1 | 174.4 | 175.7 | -108.6 | 0 | 0 | 0 | 111.2 | A568 E569 K570 E574 T575 L576 | A568-Y572 WeakPolarHBondContact O-CB 3.38Å; A568-Y572 PolarHBondContact O-N 2.84Å; E569-Y572 WeakPolarHBondContact O-CB 3.29Å; E569-Y572 PolarHBondContact O-N 3.26Å; K570-Y572 VanDerWaalsContact C-N 3.3Å; K570-Y572 PolarHBondContact O-N 2.96Å; Y572-E574 PolarHBondContact O-N 3.38Å; Y572-T575 WeakPolarHBondContact CA-OG1 3.25Å; Y572-T575 PolarHBondContact O-N 2.98Å; Y572-T575 PolarHBondContact O-OG1 3.38Å; Y572-L576 HydrophobicContact CD1-CD1 4.15Å; Y572-L576 HydrophobicContact CE1-CD1 3.51Å; Y572-L576 HydrophobicContact CE1-CG 4.21Å; Y572-L576 HydrophobicContact CE2-CD1 4.22Å; Y572-L576 HydrophobicContact CE2-CD2 4.19Å; Y572-L576 HydrophobicContact CE2-CG 4.17Å; Y572-L576 WeakPolarHBondContact O-CG 3.4Å; Y572-L576 PolarHBondContact O-N 3.28Å |
| 573 | I | 89.2 | Confident | 87.9 | Confident | 78 Ų | 78 | 93.8 Ų | 93.8 | 40% | 0.4 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 178.6 | -66.6 | 163.9 | 0 | 0 | 0 | 111.2 | E569 K570 T575 L576 Q577 | E569-I573 VanDerWaalsContact O-CG1 3.28Å; E569-I573 WeakPolarHBondContact O-CG1 3.34Å; E569-I573 PolarHBondContact O-N 2.89Å; K570-I573 PolarHBondContact O-N 2.85Å; I573-T575 VanDerWaalsContact C-N 3.33Å; I573-T575 PolarHBondContact O-N 2.99Å; I573-L576 PolarHBondContact O-N 3.44Å; I573-Q577 HydrophobicContact CG2-CG 4.36Å; I573-Q577 WeakPolarHBondContact O-CB 3.38Å; I573-Q577 WeakPolarHBondContact O-CG 3.49Å; I573-Q577 PolarHBondContact O-N 3.05Å |
| 574 | E | 89.3 | Confident | 87.1 | Confident | 121 Ų | 121 | 95.4 Ų | 95.4 | 57% | 0.565 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.5 | -41.9 | 177.1 | -74.7 | 170 | -166.1 | 0 | 0 | 111.5 | K570 H571 Y572 Q577 G578 | K570-E574 WeakPolarHBondContact O-CB 3.11Å; K570-E574 VanDerWaalsContact O-CG 3.31Å; K570-E574 WeakPolarHBondContact O-CG 3.23Å; K570-E574 PolarHBondContact O-N 2.91Å; H571-E574 PolarHBondContact O-N 3.2Å; Y572-E574 PolarHBondContact O-N 3.38Å; E574-Q577 PolarHBondContact O-N 3.01Å; E574-G578 PolarHBondContact O-N 3.23Å |
| 575 | T | 89.4 | Confident | 86.4 | Confident | 59 Ų | 59 | 97.2 Ų | 97.2 | 36% | 0.362 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.4 | -35.8 | 175.8 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | H571 Y572 I573 S579 | H571-T575 WeakPolarHBondContact O-CB 3.33Å; H571-T575 VanDerWaalsContact O-CG2 3.25Å; H571-T575 WeakPolarHBondContact O-CG2 3.47Å; H571-T575 PolarHBondContact O-N 2.91Å; H571-T575 PolarHBondContact O-OG1 3.49Å; H571-T575 VanDerWaalsContact O-OG1 3.1Å; Y572-T575 WeakPolarHBondContact CA-OG1 3.25Å; Y572-T575 PolarHBondContact O-N 2.98Å; Y572-T575 PolarHBondContact O-OG1 3.38Å; I573-T575 VanDerWaalsContact C-N 3.33Å; I573-T575 PolarHBondContact O-N 2.99Å; T575-S579 WeakPolarHBondContact O-CB 3.32Å; T575-S579 PolarHBondContact O-N 2.88Å; T575-S579 VanDerWaalsContact O-N 3.08Å; T575-S579 PolarHBondContact O-OG 3.39Å |
| 576 | L | 87.2 | Confident | 85.6 | Confident | 21 Ų | 21 | 93.7 Ų | 93.7 | 11% | 0.11 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -65.9 | -45.2 | 173.7 | -72 | -168.6 | 0 | 0 | 0 | 111.6 | Y572 I573 S579 E580 V581 E583 I586 | Y572-L576 HydrophobicContact CD1-CD1 4.15Å; Y572-L576 HydrophobicContact CE1-CD1 3.51Å; Y572-L576 HydrophobicContact CE1-CG 4.21Å; Y572-L576 HydrophobicContact CE2-CD1 4.22Å; Y572-L576 HydrophobicContact CE2-CD2 4.19Å; Y572-L576 HydrophobicContact CE2-CG 4.17Å; Y572-L576 WeakPolarHBondContact O-CG 3.4Å; Y572-L576 PolarHBondContact O-N 3.28Å; I573-L576 PolarHBondContact O-N 3.44Å; L576-S579 CarbonylContact O-C 3.59Å; L576-S579 PolarHBondContact O-N 3.15Å; L576-E580 PolarHBondContact O-N 3.44Å; L576-E580 VanDerWaalsContact O-N 3.12Å; L576-V581 PolarHBondContact O-N 2.87Å; L576-V581 VanDerWaalsContact O-N 3.14Å; L576-E583 HydrophobicContact CD1-CB 4.11Å; L576-I586 HydrophobicContact CD1-CD1 4.48Å; L576-I586 HydrophobicContact CD2-CD1 3.24Å; L576-I586 HydrophobicContact CG-CD1 4.49Å |
| 577 | Q | 84.3 | Confident | 84.8 | Confident | 145 Ų | 145 | 92.2 Ų | 92.2 | 68% | 0.678 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.1 | -44.3 | 176.9 | -72.8 | 178.4 | -1.7 | 0 | 0 | 111.7 | I573 E574 S579 E580 | I573-Q577 HydrophobicContact CG2-CG 4.36Å; I573-Q577 WeakPolarHBondContact O-CB 3.38Å; I573-Q577 WeakPolarHBondContact O-CG 3.49Å; I573-Q577 PolarHBondContact O-N 3.05Å; E574-Q577 PolarHBondContact O-N 3.01Å; Q577-S579 PolarHBondContact O-N 2.92Å; Q577-E580 PolarHBondContact O-N 3.27Å |
| 578 | G | 84.9 | Confident | 83.9 | Confident | 69 Ų | 69 | 93.1 Ų | 93.1 | 71% | 0.711 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.1 | -20.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | E574 | E574-G578 PolarHBondContact O-N 3.23Å |
| 579 | S | 83.2 | Confident | 82.8 | Confident | 82 Ų | 82 | 96.9 Ų | 96.9 | 57% | 0.573 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 0.6 | 175.5 | -51.8 | 0 | 0 | 0 | 0 | 113.2 | T575 L576 Q577 V581 | T575-S579 WeakPolarHBondContact O-CB 3.32Å; T575-S579 PolarHBondContact O-N 2.88Å; T575-S579 VanDerWaalsContact O-N 3.08Å; T575-S579 PolarHBondContact O-OG 3.39Å; L576-S579 CarbonylContact O-C 3.59Å; L576-S579 PolarHBondContact O-N 3.15Å; Q577-S579 PolarHBondContact O-N 2.92Å; S579-V581 WeakPolarHBondContact O-CG2 3.36Å; S579-V581 PolarHBondContact O-N 3.38Å |
| 580 | E | 79 | Confident | 81.6 | Confident | 186 Ų | 186 | 95.1 Ų | 95.1 | 87% | 0.869 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 29.4 | -175.7 | -59.4 | -176 | 173.3 | 0 | 0 | 114.6 | L576 Q577 | L576-E580 PolarHBondContact O-N 3.44Å; L576-E580 VanDerWaalsContact O-N 3.12Å; Q577-E580 PolarHBondContact O-N 3.27Å |
| 581 | V | 78.1 | Confident | 79.9 | Confident | 48 Ų | 48 | 91.5 Ų | 91.5 | 29% | 0.291 | 51% | 0.51 | S | S | . | . | trans | -110.8 | 127 | 179.3 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | L576 S579 F585 I586 | L576-V581 PolarHBondContact O-N 2.87Å; L576-V581 VanDerWaalsContact O-N 3.14Å; S579-V581 WeakPolarHBondContact O-CG2 3.36Å; S579-V581 PolarHBondContact O-N 3.38Å; V581-F585 HydrophobicContact CG1-CB 4.19Å; V581-F585 HydrophobicContact CG1-CD1 3.44Å; V581-F585 VanDerWaalsContact CG1-CD1 3.44Å; V581-F585 HydrophobicContact CG1-CE1 4.17Å; V581-F585 HydrophobicContact CG1-CG 4.19Å; V581-I586 HydrophobicContact CG1-CD1 3.93Å; V581-I586 HydrophobicContact CG1-CG1 3.66Å | ||
| 582 | T | 80.8 | Confident | 78.4 | Confident | 92 Ų | 92 | 94.8 Ų | 94.8 | 56% | 0.564 | 52% | 0.522 | S | S | * | . | trans | -80.3 | 147.8 | 177.2 | 55.8 | 0 | 0 | 0 | 0 | 112 | D584 F585 I586 | T582-D584 PolarHBondContact O-N 3.17Å; T582-F585 WeakPolarHBondContact O-CA 3.48Å; T582-F585 VanDerWaalsContact O-CB 3.32Å; T582-F585 WeakPolarHBondContact O-CB 3.37Å; T582-F585 PolarHBondContact O-N 2.67Å; T582-F585 WeakPolarHBondContact OG1-CB 3.48Å; T582-F585 PolarHBondContact OG1-N 2.94Å; T582-I586 PolarHBondContact O-N 3.38Å | ||
| 583 | E | 76.7 | Confident | 76.7 | Confident | 119 Ų | 119 | 95.6 Ų | 95.6 | 56% | 0.556 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -57.1 | -36.4 | 176.8 | -169.8 | 175.1 | -175.3 | 0 | 0 | 111.9 | L576 F585 I586 S587 | L576-E583 HydrophobicContact CD1-CB 4.11Å; E583-F585 VanDerWaalsContact C-N 3.31Å; E583-F585 PolarHBondContact O-N 2.8Å; E583-I586 PolarHBondContact O-N 3.33Å; E583-S587 PolarHBondContact O-N 3.37Å; E583-S587 PolarHBondContact O-OG 3.29Å; E583-S587 VanDerWaalsContact O-OG 3.09Å |
| 584 | D | 77.1 | Confident | 74.9 | Confident | 125 Ų | 125 | 95.7 Ų | 95.7 | 67% | 0.668 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.7 | -32.7 | 173.8 | -63.7 | -28 | 0 | 0 | 0 | 113.1 | T582 S587 S588 | T582-D584 PolarHBondContact O-N 3.17Å; D584-S587 WeakPolarHBondContact CA-OG 3.41Å; D584-S587 PolarHBondContact O-OG 3.17Å; D584-S588 VanDerWaalsContact O-CB 3.23Å; D584-S588 WeakPolarHBondContact O-CB 3.49Å; D584-S588 PolarHBondContact O-N 2.83Å; D584-S588 VanDerWaalsContact O-N 3.1Å; D584-S588 PolarHBondContact O-OG 3.47Å |
| 585 | F | 78.1 | Confident | 73 | Confident | 99 Ų | 99 | 93.8 Ų | 93.8 | 43% | 0.434 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.6 | -36.9 | 176 | -179.5 | -94.1 | 0 | 0 | 0 | 111.7 | V581 T582 E583 S588 K589 | V581-F585 HydrophobicContact CG1-CB 4.19Å; V581-F585 HydrophobicContact CG1-CD1 3.44Å; V581-F585 VanDerWaalsContact CG1-CD1 3.44Å; V581-F585 HydrophobicContact CG1-CE1 4.17Å; V581-F585 HydrophobicContact CG1-CG 4.19Å; T582-F585 WeakPolarHBondContact O-CA 3.48Å; T582-F585 VanDerWaalsContact O-CB 3.32Å; T582-F585 WeakPolarHBondContact O-CB 3.37Å; T582-F585 PolarHBondContact O-N 2.67Å; T582-F585 WeakPolarHBondContact OG1-CB 3.48Å; T582-F585 PolarHBondContact OG1-N 2.94Å; E583-F585 VanDerWaalsContact C-N 3.31Å; E583-F585 PolarHBondContact O-N 2.8Å; F585-S588 WeakPolarHBondContact CA-OG 3.42Å; F585-S588 PolarHBondContact O-OG 2.93Å; F585-S588 VanDerWaalsContact O-OG 3.08Å; F585-K589 HydrophobicContact CE1-CD 3.99Å; F585-K589 HydrophobicContact CZ-CD 4.04Å; F585-K589 WeakPolarHBondContact O-CB 3.48Å; F585-K589 PolarHBondContact O-N 3Å |
| 586 | I | 77.8 | Confident | 70.9 | Confident | 61 Ų | 61 | 100.1 Ų | 100.1 | 31% | 0.313 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -73 | -46 | 177.7 | -64.1 | 172.3 | 0 | 0 | 0 | 110.6 | L576 V581 T582 E583 S588 K589 A590 | L576-I586 HydrophobicContact CD1-CD1 4.48Å; L576-I586 HydrophobicContact CD2-CD1 3.24Å; L576-I586 HydrophobicContact CG-CD1 4.49Å; V581-I586 HydrophobicContact CG1-CD1 3.93Å; V581-I586 HydrophobicContact CG1-CG1 3.66Å; T582-I586 PolarHBondContact O-N 3.38Å; E583-I586 PolarHBondContact O-N 3.33Å; I586-S588 VanDerWaalsContact C-N 3.33Å; I586-S588 PolarHBondContact O-N 3.13Å; I586-K589 PolarHBondContact O-N 3.12Å; I586-A590 WeakPolarHBondContact O-CB 3.4Å; I586-A590 PolarHBondContact O-N 2.82Å |
| 587 | S | 76.5 | Confident | 68.9 | Low | 73 Ų | 73 | 110.2 Ų | 110.2 | 51% | 0.51 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -63.2 | -37.8 | 179.2 | 59.6 | 0 | 0 | 0 | 0 | 112.4 | E583 D584 G591 | E583-S587 PolarHBondContact O-N 3.37Å; E583-S587 PolarHBondContact O-OG 3.29Å; E583-S587 VanDerWaalsContact O-OG 3.09Å; D584-S587 WeakPolarHBondContact CA-OG 3.41Å; D584-S587 PolarHBondContact O-OG 3.17Å; S587-G591 PolarHBondContact O-N 3.32Å |
| 588 | S | 74 | Confident | 66.9 | Low | 76 Ų | 76 | 112.1 Ų | 112.1 | 53% | 0.531 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -71.6 | -28.8 | 175.8 | 60.4 | 0 | 0 | 0 | 0 | 114.3 | D584 F585 I586 | D584-S588 VanDerWaalsContact O-CB 3.23Å; D584-S588 WeakPolarHBondContact O-CB 3.49Å; D584-S588 PolarHBondContact O-N 2.83Å; D584-S588 VanDerWaalsContact O-N 3.1Å; D584-S588 PolarHBondContact O-OG 3.47Å; F585-S588 WeakPolarHBondContact CA-OG 3.42Å; F585-S588 PolarHBondContact O-OG 2.93Å; F585-S588 VanDerWaalsContact O-OG 3.08Å; I586-S588 VanDerWaalsContact C-N 3.33Å; I586-S588 PolarHBondContact O-N 3.13Å |
| 589 | K | 69.7 | Low | 64.8 | Low | 141 Ų | 141 | 116.3 Ų | 116.3 | 61% | 0.613 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -84.7 | -35.8 | 174.2 | -112.5 | 179.2 | 176.6 | 178.1 | 0 | 113.5 | F585 I586 G591 | F585-K589 HydrophobicContact CE1-CD 3.99Å; F585-K589 HydrophobicContact CZ-CD 4.04Å; F585-K589 WeakPolarHBondContact O-CB 3.48Å; F585-K589 PolarHBondContact O-N 3Å; I586-K589 PolarHBondContact O-N 3.12Å; K589-G591 VanDerWaalsContact C-N 3.29Å; K589-G591 PolarHBondContact O-N 2.98Å |
| 590 | A | 65.2 | Low | 62.8 | Low | 53 Ų | 53 | 117.5 Ų | 117.5 | 44% | 0.438 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69.1 | -26.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I586 K592 | I586-A590 WeakPolarHBondContact O-CB 3.4Å; I586-A590 PolarHBondContact O-N 2.82Å; A590-K592 PolarHBondContact O-N 2.92Å |
| 591 | G | 57.3 | Low | 60.7 | Low | 56 Ų | 56 | 113.9 Ų | 113.9 | 58% | 0.577 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -4.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | S587 K589 | S587-G591 PolarHBondContact O-N 3.32Å; K589-G591 VanDerWaalsContact C-N 3.29Å; K589-G591 PolarHBondContact O-N 2.98Å |
| 592 | K | 58.3 | Low | 58.6 | Low | 191 Ų | 191 | 118.1 Ų | 118.1 | 83% | 0.83 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | -14.1 | -175.3 | -71 | 178.3 | -179.1 | 175.4 | 0 | 116 | A590 | A590-K592 PolarHBondContact O-N 2.92Š|
| 593 | S | 53.9 | Low | 56.7 | Low | 112 Ų | 112 | 120.1 Ų | 120.1 | 78% | 0.783 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.1 | -3.3 | -179.5 | 56.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 594 | A | 51.2 | Low | 54.6 | Low | 80 Ų | 80 | 122.3 Ų | 122.3 | 66% | 0.661 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -109 | 10.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E596 | A594-E596 PolarHBondContact O-N 2.79Š|
| 595 | S | 49.5 | Very low | 52.9 | Low | 81 Ų | 81 | 123.3 Ų | 123.3 | 57% | 0.566 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 26.1 | -174 | -167.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 596 | E | 45.6 | Very low | 50.8 | Low | 192 Ų | 192 | 125.3 Ų | 125.3 | 90% | 0.897 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | 7 | 173.3 | -82.7 | -171.4 | 170.8 | 0 | 0 | 115.1 | A594 | A594-E596 PolarHBondContact O-N 2.79Š|
| 597 | R | 46.5 | Very low | 49.3 | Very low | 234 Ų | 234 | 131.1 Ų | 131.1 | 88% | 0.883 | 73% | 0.73 | S | S | * | * | trans | -124.6 | 59.9 | 165.6 | -78.9 | -172.9 | -78 | 145.5 | -3.8 | 111.5 | I599 | R597-I599 PolarHBondContact O-N 3.23Š| ||
| 598 | K | 41.3 | Very low | 47.5 | Very low | 185 Ų | 185 | 133.4 Ų | 133.4 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -84.8 | 94.2 | 155.5 | -82.7 | -175.2 | 176.3 | 179.3 | 0 | 108.1 | S600 | K598-S600 PolarHBondContact O-N 2.92Š| ||
| 599 | I | 40.8 | Very low | 45.8 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | trans | -72.1 | 121.8 | 156.7 | -65.5 | 170.5 | 0 | 0 | 0 | 105.8 | R597 | R597-I599 PolarHBondContact O-N 3.23Š| ||
| 600 | S | 41.9 | Very low | 44.3 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -65.6 | 131.3 | 175.3 | 60.5 | 0 | 0 | 0 | 0 | 110.7 | K598 | K598-S600 PolarHBondContact O-N 2.92Š| ||
| 601 | S | 33.8 | Very low | 43 | Very low | 111 Ų | 111 | 141 Ų | 141 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -172.5 | 86.4 | 140.6 | 39.5 | 0 | 0 | 0 | 0 | 108.7 | I603 | S601-I603 PolarHBondContact O-N 2.94Å; S601-I603 VanDerWaalsContact O-N 3.16Å | ||
| 602 | T | 35.1 | Very low | 42.5 | Very low | 136 Ų | 136 | 148 Ų | 148 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | -71.9 | 99.7 | 157.5 | -56.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 603 | I | 41.3 | Very low | 41.7 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | 46.5 | 108.6 | 138.4 | -50.2 | 165.9 | 0 | 0 | 0 | 116.5 | S601 | S601-I603 PolarHBondContact O-N 2.94Å; S601-I603 VanDerWaalsContact O-N 3.16Å | ||
| 604 | D | 31.3 | Very low | 41.3 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | -139.7 | 136.1 | 126.2 | -124.8 | -17.3 | 0 | 0 | 0 | 110.6 | T606 | D604-T606 PolarHBondContact O-N 3.37Š| |||
| 605 | N | 41.9 | Very low | 40.7 | Very low | 146 Ų | 146 | 149 Ų | 149 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | trans | -60.8 | 116.7 | -171.9 | -89.1 | -31 | 0 | 0 | 0 | 112.7 | ||||
| 606 | T | 34.6 | Very low | 40.5 | Very low | 142 Ų | 142 | 154.5 Ų | 154.5 | 87% | 0.871 | 82% | 0.819 | S | S | * | * | trans | -159.4 | 135.6 | 138.5 | -29.3 | 0 | 0 | 0 | 0 | 110.3 | D604 | D604-T606 PolarHBondContact O-N 3.37Š| ||
| 607 | Q | 46.7 | Very low | 40.4 | Very low | 183 Ų | 183 | 151.3 Ų | 151.3 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | trans | -66.6 | 162.4 | -177.1 | -75.1 | 170 | -39.2 | 0 | 0 | 113.6 | ||||
| 608 | S | 38.3 | Very low | 40.2 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | 80.6 | 117.5 | -178.7 | 62.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 609 | D | 36.8 | Very low | 40 | Very low | 163 Ų | 163 | 145 Ų | 145 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | -168.7 | 142.9 | 64.3 | -153.5 | -1.2 | 0 | 0 | 0 | 109.2 | |||||
| 610 | Q | 40.1 | Very low | 39.9 | Very low | 192 Ų | 192 | 147.1 Ų | 147.1 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | trans | -91.4 | 108 | -177.8 | -102.7 | 168.4 | -9.4 | 0 | 0 | 109.5 | ||||
| 611 | G | 36.3 | Very low | 39.9 | Very low | 74 Ų | 74 | 153.2 Ų | 153.2 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | -76.3 | 136.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 612 | E | 47.5 | Very low | 40.3 | Very low | 203 Ų | 203 | 157.3 Ų | 157.3 | 95% | 0.949 | 81% | 0.813 | S | S | * | * | trans | -39.5 | 126.3 | 177.6 | -67.4 | 174.8 | 139.3 | 0 | 0 | 114.5 | ||||
| 613 | A | 40.9 | Very low | 40.5 | Very low | 71 Ų | 71 | 156.6 Ų | 156.6 | 59% | 0.587 | 81% | 0.808 | S | S | * | * | trans | -131.5 | 116.7 | 154.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | F615 | A613-F615 HydrophobicContact CB-CD2 4.36Å; A613-F615 HydrophobicContact CB-CE2 3.97Å; A613-F615 WeakPolarHBondContact O-CD2 3.48Å; A613-F615 PolarHBondContact O-N 2.9Å | ||
| 614 | D | 45.3 | Very low | 40.3 | Very low | 158 Ų | 158 | 154.8 Ų | 154.8 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -60.5 | 92.1 | -179.9 | -170.7 | 19.7 | 0 | 0 | 0 | 110.9 | ||||
| 615 | F | 38.8 | Very low | 41 | Very low | 176 Ų | 176 | 154.8 Ų | 154.8 | 77% | 0.772 | 81% | 0.806 | S | S | * | * | trans | -102 | 116.2 | 166 | -71.8 | -77.1 | 0 | 0 | 0 | 108.6 | A613 T617 | A613-F615 HydrophobicContact CB-CD2 4.36Å; A613-F615 HydrophobicContact CB-CE2 3.97Å; A613-F615 WeakPolarHBondContact O-CD2 3.48Å; A613-F615 PolarHBondContact O-N 2.9Å; F615-T617 PolarHBondContact O-N 3.24Å | ||
| 616 | K | 46 | Very low | 41.3 | Very low | 196 Ų | 196 | 154.8 Ų | 154.8 | 85% | 0.852 | 81% | 0.806 | S | S | * | * | trans | -57.5 | 100.8 | 169.9 | -79.3 | 176.8 | 177.6 | 174.2 | 0 | 109.7 | V618 | K616-V618 PolarHBondContact O-N 3.32Å; K616-V618 VanDerWaalsContact O-N 3.14Å | ||
| 617 | T | 42.7 | Very low | 41.8 | Very low | 125 Ų | 125 | 155.3 Ų | 155.3 | 77% | 0.767 | 80% | 0.804 | S | S | * | * | trans | -55.3 | 112.9 | 168.3 | -62 | 0 | 0 | 0 | 0 | 109.5 | F615 H619 | F615-T617 PolarHBondContact O-N 3.24Å; T617-H619 PolarHBondContact O-N 3.35Å | ||
| 618 | V | 43.3 | Very low | 41.5 | Very low | 111 Ų | 111 | 154.9 Ų | 154.9 | 67% | 0.673 | 80% | 0.802 | S | S | * | * | trans | -72.6 | 108.2 | 170.4 | 178 | 0 | 0 | 0 | 0 | 107.6 | K616 Y620 | K616-V618 PolarHBondContact O-N 3.32Å; K616-V618 VanDerWaalsContact O-N 3.14Å; V618-Y620 PolarHBondContact O-N 2.98Å | ||
| 619 | H | 37.7 | Very low | 41.7 | Very low | 175 Ų | 175 | 156.1 Ų | 156.1 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -66.1 | 110 | 175.2 | -116.5 | -54.8 | 0 | 0 | 0 | 109.8 | T617 R621 | T617-H619 PolarHBondContact O-N 3.35Å; H619-R621 PolarHBondContact O-N 3.28Å | ||
| 620 | Y | 38.7 | Very low | 42 | Very low | 201 Ų | 201 | 155.9 Ų | 155.9 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | trans | -70.8 | 127.3 | 159.3 | -65.3 | -82.3 | 0 | 0 | 0 | 108.3 | V618 K622 | V618-Y620 PolarHBondContact O-N 2.98Å; Y620-K622 PolarHBondContact O-N 2.83Å | ||
| 621 | R | 41.3 | Very low | 42.2 | Very low | 235 Ų | 235 | 153.7 Ų | 153.7 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -63.1 | 96.6 | 171.9 | -170.8 | 179.5 | -161.3 | -170.1 | 4.4 | 108.1 | H619 V623 | H619-R621 PolarHBondContact O-N 3.28Å; R621-V623 PolarHBondContact O-N 3.35Å; R621-V623 VanDerWaalsContact O-N 3.07Å | ||
| 622 | K | 41.5 | Very low | 42.1 | Very low | 197 Ų | 197 | 155 Ų | 155 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | -66.2 | 104 | 167.8 | -147.1 | 177.5 | -171.1 | -174.6 | 0 | 106 | Y620 S624 | Y620-K622 PolarHBondContact O-N 2.83Å; K622-S624 PolarHBondContact O-N 3.03Å | ||
| 623 | V | 39.2 | Very low | 41.9 | Very low | 122 Ų | 122 | 149.7 Ų | 149.7 | 74% | 0.739 | 78% | 0.778 | S | S | * | * | trans | -72.2 | 110.7 | 166.1 | -175.5 | 0 | 0 | 0 | 0 | 104.9 | R621 L625 | R621-V623 PolarHBondContact O-N 3.35Å; R621-V623 VanDerWaalsContact O-N 3.07Å; V623-L625 PolarHBondContact O-N 3.04Å | ||
| 624 | S | 38 | Very low | 42.2 | Very low | 96 Ų | 96 | 150.1 Ų | 150.1 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | trans | -59.7 | 119.8 | 172.3 | -31.4 | 0 | 0 | 0 | 0 | 108.2 | K622 | K622-S624 PolarHBondContact O-N 3.03Š| ||
| 625 | L | 44.5 | Very low | 42.1 | Very low | 164 Ų | 164 | 149 Ų | 149 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | trans | -85.6 | 116.8 | 146.3 | -80.5 | 162.6 | 0 | 0 | 0 | 104.4 | V623 D627 | V623-L625 PolarHBondContact O-N 3.04Å; L625-D627 PolarHBondContact O-N 2.89Å | ||
| 626 | D | 48.9 | Very low | 42.3 | Very low | 146 Ų | 146 | 148.2 Ų | 148.2 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | -58.7 | 104.5 | 171.4 | -70.8 | -38 | 0 | 0 | 0 | 108.5 | ||||
| 627 | D | 44.6 | Very low | 42 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -117 | 104.3 | 152.8 | -79.7 | -38.9 | 0 | 0 | 0 | 105.7 | L625 D629 | L625-D627 PolarHBondContact O-N 2.89Å; D627-D629 PolarHBondContact O-N 2.95Å | ||
| 628 | E | 40.9 | Very low | 41.9 | Very low | 175 Ų | 175 | 145.8 Ų | 145.8 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -27.5 | 117.8 | 179.2 | -65.7 | -77.2 | 155 | 0 | 0 | 115.2 | I630 | E628-I630 PolarHBondContact O-N 3.36Š| ||
| 629 | D | 42.4 | Very low | 41.9 | Very low | 146 Ų | 146 | 146 Ų | 146 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | trans | -63.3 | 96.6 | 163.1 | -77.2 | -43.8 | 0 | 0 | 0 | 110.2 | D627 N631 | D627-D629 PolarHBondContact O-N 2.95Å; D629-N631 PolarHBondContact O-N 3.19Å; D629-N631 VanDerWaalsContact O-N 3.09Å | ||
| 630 | I | 43 | Very low | 42.1 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | trans | -77.6 | 87.9 | 152.4 | -62.2 | 176.9 | 0 | 0 | 0 | 107 | E628 C632 | E628-I630 PolarHBondContact O-N 3.36Å; I630-C632 PolarHBondContact O-N 2.8Å | ||
| 631 | N | 44.7 | Very low | 42.2 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | trans | -54.7 | 100.7 | 156.1 | -92.7 | -51.8 | 0 | 0 | 0 | 108.9 | D629 | D629-N631 PolarHBondContact O-N 3.19Å; D629-N631 VanDerWaalsContact O-N 3.09Å | ||
| 632 | C | 34.2 | Very low | 42.2 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 69% | 0.689 | 73% | 0.726 | S | S | * | * | trans | -98.4 | 92.3 | 152.7 | -166.8 | 0 | 0 | 0 | 0 | 107.6 | I630 S634 | I630-C632 PolarHBondContact O-N 2.8Å; C632-S634 VanDerWaalsContact C-N 3.3Å; C632-S634 PolarHBondContact O-N 3.19Å | ||
| 633 | A | 43.9 | Very low | 42.2 | Very low | 92 Ų | 92 | 135.8 Ų | 135.8 | 76% | 0.76 | 72% | 0.72 | S | S | * | * | trans | -62.1 | 94.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 634 | S | 47.3 | Very low | 42.1 | Very low | 79 Ų | 79 | 136.2 Ų | 136.2 | 55% | 0.552 | 71% | 0.712 | S | S | * | * | trans | -165.2 | 97.7 | 163.5 | -91.1 | 0 | 0 | 0 | 0 | 107.3 | C632 | C632-S634 VanDerWaalsContact C-N 3.3Å; C632-S634 PolarHBondContact O-N 3.19Å | ||
| 635 | D | 43.1 | Very low | 42.2 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -173.4 | -10.9 | 161 | -93.9 | -16.2 | 0 | 0 | 0 | 110.7 | ||
| 636 | N | 41.6 | Very low | 42.1 | Very low | 158 Ų | 158 | 131.6 Ų | 131.6 | 85% | 0.845 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -87.9 | -4.2 | 173.6 | -69.6 | -41.5 | 0 | 0 | 0 | 114.5 | ||
| 637 | D | 39.5 | Very low | 41.6 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 60% | 0.604 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -92.9 | -16.7 | 179.6 | -75.6 | -39.3 | 0 | 0 | 0 | 113.7 | R640 E641 | D637-R640 PolarHBondContact O-N 3.43Å; D637-E641 PolarHBondContact O-N 3.14Å |
| 638 | E | 42.3 | Very low | 41.1 | Very low | 157 Ų | 157 | 128.9 Ų | 128.9 | 73% | 0.734 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -75.8 | -26.4 | -179.8 | -68.4 | -160 | 165.6 | 0 | 0 | 113.6 | ||
| 639 | E | 42.2 | Very low | 41 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 55% | 0.547 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -84.6 | -10.8 | 176.2 | -68.2 | -163.2 | 157.6 | 0 | 0 | 113.5 | R539 | R539-E639 IonicContact CZ-OE1 2.85Å; R539-E639 VanDerWaalsContact CZ-OE1 3.22Å; R539-E639 IonicContact NH1-OE1 2.8Å; R539-E639 PolarHBondContact NH1-OE1 2.95Å; R539-E639 IonicContact NH2-OE1 2.69Å; R539-E639 PolarHBondContact NH2-OE1 3.13Å |
| 640 | R | 42.5 | Very low | 40.9 | Very low | 181 Ų | 181 | 125.3 Ų | 125.3 | 68% | 0.683 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -98.3 | -24.7 | -178.5 | -156.2 | 173.7 | -166.7 | -143.3 | 3.2 | 113.8 | D637 | D637-R640 PolarHBondContact O-N 3.43Å |
| 641 | E | 41.5 | Very low | 40.6 | Very low | 119 Ų | 119 | 122.9 Ų | 122.9 | 56% | 0.556 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -82.4 | -25.6 | 177.6 | -76.3 | -63.4 | 146.5 | 0 | 0 | 113.2 | D637 Q643 K644 | D637-E641 PolarHBondContact O-N 3.14Å; E641-Q643 VanDerWaalsContact C-N 3.33Å; E641-Q643 PolarHBondContact O-N 3.38Å; E641-K644 PolarHBondContact O-N 3.12Å |
| 642 | E | 41.1 | Very low | 40.3 | Very low | 136 Ų | 136 | 122.2 Ų | 122.2 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -18.6 | 178.1 | -144.7 | 174.8 | -165.3 | 0 | 0 | 113.1 | S645 | E642-S645 PolarHBondContact O-OG 3.41Å; E642-S645 VanDerWaalsContact O-OG 3.1Å |
| 643 | Q | 39.8 | Very low | 40.5 | Very low | 156 Ų | 156 | 127.8 Ų | 127.8 | 73% | 0.729 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -16.2 | 174 | -66.2 | -172.9 | 14.2 | 0 | 0 | 113.8 | E641 | E641-Q643 VanDerWaalsContact C-N 3.33Å; E641-Q643 PolarHBondContact O-N 3.38Å |
| 644 | K | 39.1 | Very low | 40.4 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 57% | 0.574 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -28.2 | 175.2 | -96.1 | 179.2 | 177.7 | 173.7 | 0 | 113 | E641 D646 | E641-K644 PolarHBondContact O-N 3.12Å; K644-D646 VanDerWaalsContact C-N 3.29Å; K644-D646 PolarHBondContact O-N 3.22Å |
| 645 | S | 39.3 | Very low | 39.8 | Very low | 61 Ų | 61 | 133 Ų | 133 | 43% | 0.427 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -69.2 | -25.8 | 176.4 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | E642 S649 | E642-S645 PolarHBondContact O-OG 3.41Å; E642-S645 VanDerWaalsContact O-OG 3.1Å; S645-S649 PolarHBondContact O-OG 3.2Å |
| 646 | D | 41.3 | Very low | 39.4 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 55% | 0.545 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -82.8 | -20.5 | -178.6 | -81 | -6.3 | 0 | 0 | 0 | 113.7 | K644 | K644-D646 VanDerWaalsContact C-N 3.29Å; K644-D646 PolarHBondContact O-N 3.22Å |
| 647 | Q | 39.3 | Very low | 38.9 | Very low | 167 Ų | 167 | 135 Ų | 135 | 78% | 0.78 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -86.6 | -29 | 172.8 | -81.5 | -156.9 | -0.7 | 0 | 0 | 114.1 | S649 | Q647-S649 PolarHBondContact O-N 3.44Å |
| 648 | A | 34.7 | Very low | 38.7 | Very low | 74 Ų | 74 | 133.9 Ų | 133.9 | 61% | 0.612 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -73.3 | -15.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 649 | S | 39 | Very low | 38.3 | Very low | 92 Ų | 92 | 132.4 Ų | 132.4 | 64% | 0.643 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -7.9 | -179.8 | -58.7 | 0 | 0 | 0 | 0 | 114.4 | S645 Q647 | S645-S649 PolarHBondContact O-OG 3.2Å; Q647-S649 PolarHBondContact O-N 3.44Å |
| 650 | L | 39.8 | Very low | 37.8 | Very low | 154 Ų | 154 | 130.5 Ų | 130.5 | 81% | 0.806 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -104.8 | -5 | -172.7 | -100 | 151.6 | 0 | 0 | 0 | 114.5 | ||
| 651 | S | 36.3 | Very low | 37.5 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 74% | 0.741 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -102.7 | 0.3 | 179.5 | 60 | 0 | 0 | 0 | 0 | 115.2 | ||
| 652 | H | 38.3 | Very low | 37.1 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 61% | 0.611 | 73% | 0.728 | S | S | * | * | trans | -119.1 | 71.1 | 176.5 | -152.3 | -12 | 0 | 0 | 0 | 112.1 | ||||
| 653 | R | 38.2 | Very low | 36.9 | Very low | 220 Ų | 220 | 130.6 Ų | 130.6 | 83% | 0.83 | 73% | 0.73 | S | S | * | * | trans | -142.8 | 80 | 160.9 | -98.3 | -170.3 | 174.3 | 170.6 | -3 | 110.8 | ||||
| 654 | E | 42.6 | Very low | 36.5 | Very low | 185 Ų | 185 | 131.1 Ų | 131.1 | 86% | 0.864 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -167.9 | 82.2 | 144.5 | -108 | 176.1 | -163.4 | 0 | 0 | 107.5 | ||
| 655 | S | 33.8 | Very low | 36.3 | Very low | 94 Ų | 94 | 133.2 Ų | 133.2 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -175.3 | 107 | 159.9 | -74 | 0 | 0 | 0 | 0 | 110.3 | ||
| 656 | E | 35.9 | Very low | 36.4 | Very low | 160 Ų | 160 | 135.4 Ų | 135.4 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 71.9 | 111.2 | 141.2 | -52.4 | -171.8 | 156.5 | 0 | 0 | 121.2 | ||||
| 657 | D | 30.9 | Very low | 36 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 95% | 0.952 | 78% | 0.777 | S | S | * | * | trans | -85.9 | 110.2 | 142.1 | -85.7 | -34 | 0 | 0 | 0 | 108 | ||||
| 658 | A | 35.8 | Very low | 35.8 | Very low | 88 Ų | 88 | 142.2 Ų | 142.2 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -139.9 | 91.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | G660 | A658-G660 PolarHBondContact O-N 3.4Š| ||
| 659 | S | 33.1 | Very low | 35.9 | Very low | 127 Ų | 127 | 144 Ų | 144 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -88.8 | 92.8 | 172.4 | 45.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 660 | G | 31 | Very low | 35.6 | Very low | 77 Ų | 77 | 147.2 Ų | 147.2 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -79.2 | 140.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | A658 | A658-G660 PolarHBondContact O-N 3.4Š| ||
| 661 | H | 37 | Very low | 35.5 | Very low | 177 Ų | 177 | 147.6 Ų | 147.6 | 82% | 0.819 | 80% | 0.798 | S | S | * | * | trans | -81.7 | 128.3 | -175.8 | -163.4 | 76.8 | 0 | 0 | 0 | 111 | ||||
| 662 | H | 33.6 | Very low | 35.4 | Very low | 194 Ų | 194 | 147.7 Ų | 147.7 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | trans | 176.9 | 135.7 | 152.4 | -83 | -45.3 | 0 | 0 | 0 | 105.6 | ||||
| 663 | G | 36.5 | Very low | 35.3 | Very low | 67 Ų | 67 | 151.6 Ų | 151.6 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | cis | 134.5 | 65.7 | 17.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 664 | D | 31 | Very low | 35.5 | Very low | 166 Ų | 166 | 147.3 Ų | 147.3 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -95.7 | 111.2 | -178.4 | -79.2 | -22.1 | 0 | 0 | 0 | 111.2 | ||||
| 665 | H | 34.3 | Very low | 35.3 | Very low | 176 Ų | 176 | 149 Ų | 149 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 125.3 | 166.5 | -135.8 | -63.9 | 0 | 0 | 0 | 108.1 | H667 | H665-H667 PolarHBondContact O-N 3.23Š|
| 666 | P | 42.5 | Very low | 36.1 | Very low | 107 Ų | 107 | 149 Ų | 149 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 125 | 173.5 | -11 | 26.7 | 0 | 0 | 0 | 110.1 | Y668 | P666-Y668 PolarHBondContact O-N 3.48Š|
| 667 | H | 33.2 | Very low | 36.5 | Very low | 187 Ų | 187 | 147.6 Ų | 147.6 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 119.7 | 163.6 | -90.8 | -86.9 | 0 | 0 | 0 | 109.3 | H665 | H665-H667 PolarHBondContact O-N 3.23Š|
| 668 | Y | 35.1 | Very low | 37.1 | Very low | 226 Ų | 226 | 149.8 Ų | 149.8 | 89% | 0.886 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 126.2 | 165.1 | -102.2 | -102.2 | 0 | 0 | 0 | 109.1 | P666 | P666-Y668 PolarHBondContact O-N 3.48Š|
| 669 | S | 35.4 | Very low | 37.1 | Very low | 112 Ų | 112 | 152.9 Ų | 152.9 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 122 | 161.3 | -63.2 | 0 | 0 | 0 | 0 | 108.2 | E671 | S669-E671 PolarHBondContact O-N 3.19Š|
| 670 | D | 33.1 | Very low | 37.4 | Very low | 158 Ų | 158 | 154.3 Ų | 154.3 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | -83.7 | 100 | 175.2 | -165.9 | 13.5 | 0 | 0 | 0 | 108.2 | ||||
| 671 | E | 37 | Very low | 37.7 | Very low | 163 Ų | 163 | 158.6 Ų | 158.6 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | trans | -85.3 | 104.1 | 167.4 | -79.1 | -179.7 | 163.1 | 0 | 0 | 108.5 | S669 Y673 | S669-E671 PolarHBondContact O-N 3.19Å; E671-Y673 PolarHBondContact O-N 3.22Å | ||
| 672 | S | 34.3 | Very low | 37.8 | Very low | 108 Ų | 108 | 157.5 Ų | 157.5 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | trans | -63.3 | 110.1 | 171.8 | 54.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 673 | Y | 37.4 | Very low | 38 | Very low | 213 Ų | 213 | 155.2 Ų | 155.2 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | -106.1 | 111 | 159.4 | -95.4 | -87.1 | 0 | 0 | 0 | 109.7 | E671 | E671-Y673 PolarHBondContact O-N 3.22Š| ||
| 674 | T | 42.1 | Very low | 38.1 | Very low | 130 Ų | 130 | 161.1 Ų | 161.1 | 80% | 0.798 | 82% | 0.824 | S | S | * | * | trans | -71.6 | 127.5 | 163.5 | 47.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 675 | Y | 39.1 | Very low | 38.6 | Very low | 220 Ų | 220 | 160.7 Ų | 160.7 | 86% | 0.863 | 82% | 0.819 | S | S | * | * | trans | -128.6 | 115.9 | 157.9 | -161.6 | -95.1 | 0 | 0 | 0 | 108.9 | ||||
| 676 | S | 49.5 | Very low | 39 | Very low | 95 Ų | 95 | 159.5 Ų | 159.5 | 66% | 0.664 | 82% | 0.819 | S | S | * | * | trans | -79.8 | 132 | 160.6 | -55.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 677 | D | 45 | Very low | 38.7 | Very low | 131 Ų | 131 | 163.9 Ų | 163.9 | 70% | 0.701 | 83% | 0.83 | S | S | * | * | 173 | 146.7 | 109.4 | -113.9 | -7.4 | 0 | 0 | 0 | 111.5 | |||||
| 678 | D | 42.6 | Very low | 39.1 | Very low | 224 Ų | 224 | 161.8 Ų | 161.8 | 100% | 1.198 | 83% | 0.826 | S | S | * | * | trans | 56.6 | 0 | 156.3 | -70.4 | -24 | 0 | 0 | 0 | 122.2 |
Retrieved 678 of 678 residues in 656.4 ms
(Link to these results)