| 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 | 37.3 | Very low | 42 | Very low | 223 Ų | 223 | 134 Ų | 134 | 100% | 1.099 | 81% | 0.814 | S | S | * | * | 0 | 101.6 | 0 | -47.6 | -67.2 | -173.7 | 0 | 0 | 106.5 | |||||
| 2 | D | 39.8 | Very low | 41.9 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 73% | 0.733 | 82% | 0.82 | S | S | * | * | cis | -154.4 | 141.8 | 2.5 | -81.2 | -46.6 | 0 | 0 | 0 | 108.5 | ||||
| 3 | A | 44.4 | Very low | 42.1 | Very low | 103 Ų | 103 | 135.4 Ų | 135.4 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | trans | -87.8 | 126.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 4 | T | 42.4 | Very low | 42.2 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -163.8 | 138.9 | 171.2 | -9.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 5 | S | 43.9 | Very low | 42 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 71% | 0.713 | 82% | 0.822 | S | S | * | * | cis | -175.6 | 125 | -14.4 | 173.6 | 0 | 0 | 0 | 0 | 103.1 | ||||
| 6 | S | 46.2 | Very low | 42.5 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 80% | 0.797 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 130 | 172.9 | -59.3 | 0 | 0 | 0 | 0 | 109 | ||
| 7 | P | 51.8 | Low | 42.9 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 79% | 0.786 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 130.6 | 174 | 30.8 | -28.4 | 0 | 0 | 0 | 111 | ||
| 8 | Q | 36.6 | Very low | 43.2 | Very low | 183 Ų | 183 | 141.1 Ų | 141.1 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 134.1 | 171.9 | -80.7 | 166.8 | -60.4 | 0 | 0 | 112.3 | V10 | Q8-V10 PolarHBondContact O-N 3.42Š|
| 9 | I | 36.5 | Very low | 43.8 | Very low | 169 Ų | 169 | 137.9 Ų | 137.9 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | -75.4 | 109.2 | 159.8 | -70.2 | 167 | 0 | 0 | 0 | 106.9 | ||||
| 10 | V | 45.3 | Very low | 44.3 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 75% | 0.745 | 82% | 0.815 | S | S | * | * | trans | -75.7 | 122.1 | 168.9 | 172 | 0 | 0 | 0 | 0 | 107.6 | Q8 | Q8-V10 PolarHBondContact O-N 3.42Š| ||
| 11 | G | 38.4 | Very low | 44.7 | Very low | 68 Ų | 68 | 138.9 Ų | 138.9 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | trans | -76.5 | 132.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 12 | E | 39.8 | Very low | 45.7 | Very low | 190 Ų | 190 | 135.5 Ų | 135.5 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -113.6 | 102.7 | 156.8 | -77.3 | -177.5 | 160.7 | 0 | 0 | 107.1 | ||||
| 13 | A | 45.4 | Very low | 46.8 | Very low | 96 Ų | 96 | 130.7 Ų | 130.7 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | trans | -94.8 | 109.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 14 | E | 42.6 | Very low | 48 | Very low | 191 Ų | 191 | 130.7 Ų | 130.7 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | trans | -175 | 112.3 | 148.2 | -108.7 | 169.9 | -166.6 | 0 | 0 | 112.3 | ||||
| 15 | S | 39.2 | Very low | 50.2 | Low | 115 Ų | 115 | 128.9 Ų | 128.9 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | 148.7 | 70.3 | 144.5 | -80.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 16 | R | 50.8 | Low | 52.4 | Low | 250 Ų | 250 | 129.7 Ų | 129.7 | 94% | 0.943 | 74% | 0.74 | S | S | * | * | trans | -104.2 | 92.6 | 161.1 | -97 | 179.3 | 172.1 | 170.5 | -2.1 | 107.6 | ||||
| 17 | S | 49.2 | Very low | 54.5 | Low | 124 Ų | 124 | 128.6 Ų | 128.6 | 87% | 0.867 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -179.7 | 18.1 | 157.4 | 56 | 0 | 0 | 0 | 0 | 116.5 | ||
| 18 | S | 48.5 | Very low | 56.4 | Low | 100 Ų | 100 | 127.9 Ų | 127.9 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -134.2 | 1.8 | 179.1 | 60.1 | 0 | 0 | 0 | 0 | 116 | ||
| 19 | A | 53.5 | Low | 59.1 | Low | 80 Ų | 80 | 123 Ų | 123 | 66% | 0.661 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -87.7 | -19.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 20 | D | 53.8 | Low | 61.6 | Low | 149 Ų | 149 | 118.6 Ų | 118.6 | 80% | 0.797 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -76.6 | -24.6 | -171 | -78.6 | -16.3 | 0 | 0 | 0 | 113.9 | ||
| 21 | L | 52.3 | Low | 63.7 | Low | 148 Ų | 148 | 119.2 Ų | 119.2 | 78% | 0.775 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -78.2 | -34 | 179.7 | -69.5 | 168.7 | 0 | 0 | 0 | 112.9 | ||
| 22 | H | 59.4 | Low | 66.2 | Low | 151 Ų | 151 | 118.6 Ų | 118.6 | 70% | 0.699 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -79.5 | -23.3 | -176.6 | -129.6 | 57.8 | 0 | 0 | 0 | 113 | H26 | H22-H26 PolarHBondContact O-N 3.24Å |
| 23 | G | 62.8 | Low | 68.5 | Low | 36 Ų | 36 | 113 Ų | 113 | 37% | 0.371 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -66.8 | -38 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | H26 L27 | G23-H26 PolarHBondContact O-N 3.44Å; G23-L27 WeakPolarHBondContact O-CG 3.4Å; G23-L27 PolarHBondContact O-N 3.06Å; G23-L27 VanDerWaalsContact O-N 3.1Å |
| 24 | D | 69.8 | Low | 70.6 | Confident | 104 Ų | 104 | 110.7 Ų | 110.7 | 56% | 0.556 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.3 | -39.3 | -179.9 | -80.1 | -18.4 | 0 | 0 | 0 | 112.2 | H26 L27 L28 | D24-H26 VanDerWaalsContact C-N 3.33Å; D24-H26 PolarHBondContact O-N 3.25Å; D24-L27 PolarHBondContact O-N 3.03Å; D24-L28 WeakPolarHBondContact O-CB 3.5Å; D24-L28 VanDerWaalsContact O-CG 3.27Å; D24-L28 WeakPolarHBondContact O-CG 3.02Å; D24-L28 PolarHBondContact O-N 3.43Å |
| 25 | D | 87.3 | Confident | 72.6 | Confident | 92 Ų | 92 | 108.9 Ų | 108.9 | 49% | 0.492 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.7 | -39.4 | 176.1 | -72 | -21.3 | 0 | 0 | 0 | 112.2 | L28 T29 | D25-L28 PolarHBondContact O-N 2.97Å; D25-T29 WeakPolarHBondContact O-CB 3.48Å; D25-T29 PolarHBondContact O-N 3.35Å; D25-T29 PolarHBondContact O-OG1 2.82Å |
| 26 | H | 91.6 | Very high | 75.1 | Confident | 119 Ų | 119 | 110.8 Ų | 110.8 | 55% | 0.551 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.3 | -42.4 | 176 | -170.2 | 62.2 | 0 | 0 | 0 | 111.7 | H22 G23 D24 T29 L30 | H22-H26 PolarHBondContact O-N 3.24Å; G23-H26 PolarHBondContact O-N 3.44Å; D24-H26 VanDerWaalsContact C-N 3.33Å; D24-H26 PolarHBondContact O-N 3.25Å; H26-T29 PolarHBondContact O-N 3.22Å; H26-L30 WeakPolarHBondContact O-CB 3.47Å; H26-L30 WeakPolarHBondContact O-CG 3.34Å; H26-L30 PolarHBondContact O-N 3.49Å |
| 27 | L | 90.3 | Very high | 76.7 | Confident | 91 Ų | 91 | 104 Ų | 104 | 48% | 0.476 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.2 | -39.1 | 176.1 | -74 | 174.1 | 0 | 0 | 0 | 112.4 | G23 D24 L30 K31 | G23-L27 WeakPolarHBondContact O-CG 3.4Å; G23-L27 PolarHBondContact O-N 3.06Å; G23-L27 VanDerWaalsContact O-N 3.1Å; D24-L27 PolarHBondContact O-N 3.03Å; L27-L30 PolarHBondContact O-N 3.22Å; L27-K31 WeakPolarHBondContact O-CB 3.45Å; L27-K31 VanDerWaalsContact O-CG 3.27Å; L27-K31 WeakPolarHBondContact O-CG 3.31Å; L27-K31 PolarHBondContact O-N 3.31Å |
| 28 | L | 91.3 | Very high | 78 | Confident | 107 Ų | 107 | 108.8 Ų | 108.8 | 56% | 0.56 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.7 | -44.4 | 174.7 | -73.3 | 166.5 | 0 | 0 | 0 | 111.3 | D24 D25 L30 K31 A32 | D24-L28 WeakPolarHBondContact O-CB 3.5Å; D24-L28 VanDerWaalsContact O-CG 3.27Å; D24-L28 WeakPolarHBondContact O-CG 3.02Å; D24-L28 PolarHBondContact O-N 3.43Å; D25-L28 PolarHBondContact O-N 2.97Å; L28-L30 PolarHBondContact O-N 2.95Å; L28-K31 PolarHBondContact O-N 3.41Å; L28-A32 WeakPolarHBondContact O-CB 3.42Å; L28-A32 PolarHBondContact O-N 3.03Å |
| 29 | T | 92.5 | Very high | 79.5 | Confident | 80 Ų | 80 | 108.6 Ų | 108.6 | 49% | 0.491 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62 | -44.4 | 176.6 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | D25 H26 A32 L33 | D25-T29 WeakPolarHBondContact O-CB 3.48Å; D25-T29 PolarHBondContact O-N 3.35Å; D25-T29 PolarHBondContact O-OG1 2.82Å; H26-T29 PolarHBondContact O-N 3.22Å; T29-A32 PolarHBondContact O-N 2.77Å; T29-L33 HydrophobicContact CG2-CD1 4.35Å; T29-L33 WeakPolarHBondContact O-CG 3.49Å; T29-L33 PolarHBondContact O-N 2.99Å |
| 30 | L | 89.1 | Confident | 80.6 | Confident | 77 Ų | 77 | 113 Ų | 113 | 40% | 0.403 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.9 | -45.4 | 175.8 | -75.8 | 174.6 | 0 | 0 | 0 | 111.9 | H26 L27 L28 A32 L33 T34 | H26-L30 WeakPolarHBondContact O-CB 3.47Å; H26-L30 WeakPolarHBondContact O-CG 3.34Å; H26-L30 PolarHBondContact O-N 3.49Å; L27-L30 PolarHBondContact O-N 3.22Å; L28-L30 PolarHBondContact O-N 2.95Å; L30-A32 PolarHBondContact O-N 2.98Å; L30-L33 PolarHBondContact O-N 3.36Å; L30-T34 VanDerWaalsContact O-CG2 3.32Å; L30-T34 WeakPolarHBondContact O-CG2 3.45Å; L30-T34 PolarHBondContact O-N 2.95Å; L30-T34 PolarHBondContact O-OG1 2.84Å |
| 31 | K | 89.6 | Confident | 81.6 | Confident | 135 Ų | 135 | 110.6 Ų | 110.6 | 59% | 0.587 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -56.4 | -49.2 | 175.2 | -77.6 | 173.6 | -179.1 | 172.7 | 0 | 111.1 | L27 L28 L33 T34 E35 | L27-K31 WeakPolarHBondContact O-CB 3.45Å; L27-K31 VanDerWaalsContact O-CG 3.27Å; L27-K31 WeakPolarHBondContact O-CG 3.31Å; L27-K31 PolarHBondContact O-N 3.31Å; L28-K31 PolarHBondContact O-N 3.41Å; K31-L33 VanDerWaalsContact C-N 3.33Å; K31-L33 PolarHBondContact O-N 3.25Å; K31-T34 WeakPolarHBondContact CA-OG1 3.48Å; K31-T34 PolarHBondContact O-N 2.7Å; K31-T34 PolarHBondContact O-OG1 2.8Å; K31-E35 WeakPolarHBondContact O-CB 3.4Å; K31-E35 PolarHBondContact O-N 2.77Å |
| 32 | A | 90.4 | Very high | 82.7 | Confident | 56 Ų | 56 | 109 Ų | 109 | 46% | 0.463 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61 | -40.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L28 T29 L30 K36 | L28-A32 WeakPolarHBondContact O-CB 3.42Å; L28-A32 PolarHBondContact O-N 3.03Å; T29-A32 PolarHBondContact O-N 2.77Å; L30-A32 PolarHBondContact O-N 2.98Å; A32-K36 VanDerWaalsContact O-CB 3.27Å; A32-K36 WeakPolarHBondContact O-CB 3.48Å; A32-K36 PolarHBondContact O-N 2.99Å |
| 33 | L | 89.9 | Confident | 84 | Confident | 73 Ų | 73 | 111.4 Ų | 111.4 | 38% | 0.382 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.4 | -43.4 | 175.3 | -74.9 | 175.4 | 0 | 0 | 0 | 112.1 | T29 L30 K31 E35 K36 L37 | T29-L33 HydrophobicContact CG2-CD1 4.35Å; T29-L33 WeakPolarHBondContact O-CG 3.49Å; T29-L33 PolarHBondContact O-N 2.99Å; L30-L33 PolarHBondContact O-N 3.36Å; K31-L33 VanDerWaalsContact C-N 3.33Å; K31-L33 PolarHBondContact O-N 3.25Å; L33-E35 VanDerWaalsContact C-N 3.32Å; L33-E35 PolarHBondContact O-N 3.03Å; L33-K36 PolarHBondContact O-N 3.26Å; L33-L37 WeakPolarHBondContact O-CB 3.46Å; L33-L37 VanDerWaalsContact O-CG 3.27Å; L33-L37 WeakPolarHBondContact O-CG 3.27Å; L33-L37 PolarHBondContact O-N 3.46Å |
| 34 | T | 88.3 | Confident | 85 | Confident | 46 Ų | 46 | 113.8 Ų | 113.8 | 28% | 0.282 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.2 | -36.9 | 178.4 | 57.7 | 0 | 0 | 0 | 0 | 112.4 | L30 K31 L37 R38 L39 T41 | L30-T34 VanDerWaalsContact O-CG2 3.32Å; L30-T34 WeakPolarHBondContact O-CG2 3.45Å; L30-T34 PolarHBondContact O-N 2.95Å; L30-T34 PolarHBondContact O-OG1 2.84Å; K31-T34 WeakPolarHBondContact CA-OG1 3.48Å; K31-T34 PolarHBondContact O-N 2.7Å; K31-T34 PolarHBondContact O-OG1 2.8Å; T34-L37 PolarHBondContact O-N 3.25Å; T34-R38 PolarHBondContact O-N 3.26Å; T34-R38 VanDerWaalsContact O-N 3.1Å; T34-L39 HydrophobicContact CG2-CD1 4.31Å; T34-L39 PolarHBondContact O-N 2.73Å; T34-T41 HydrophobicContact CG2-CG2 4.24Å |
| 35 | E | 85.1 | Confident | 85.8 | Confident | 154 Ų | 154 | 112.5 Ų | 112.5 | 72% | 0.72 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.4 | -46.9 | 174.4 | -175.4 | 179.2 | 177.8 | 0 | 0 | 111.3 | K31 L33 L37 R38 | K31-E35 WeakPolarHBondContact O-CB 3.4Å; K31-E35 PolarHBondContact O-N 2.77Å; L33-E35 VanDerWaalsContact C-N 3.32Å; L33-E35 PolarHBondContact O-N 3.03Å; E35-L37 PolarHBondContact O-N 2.79Å; E35-R38 PolarHBondContact O-N 2.79Å |
| 36 | K | 91.1 | Very high | 85.7 | Confident | 154 Ų | 154 | 112.7 Ų | 112.7 | 67% | 0.67 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -58.6 | -36.2 | 176.5 | -172.4 | 177.9 | 68.9 | 178.2 | 0 | 112.4 | A32 L33 R38 | A32-K36 VanDerWaalsContact O-CB 3.27Å; A32-K36 WeakPolarHBondContact O-CB 3.48Å; A32-K36 PolarHBondContact O-N 2.99Å; L33-K36 PolarHBondContact O-N 3.26Å; K36-R38 VanDerWaalsContact C-N 3.33Å |
| 37 | L | 85.3 | Confident | 85.5 | Confident | 109 Ų | 109 | 111.2 Ų | 111.2 | 57% | 0.571 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -0.3 | 178.2 | -65.9 | 176.2 | 0 | 0 | 0 | 113.5 | L33 T34 E35 L39 | L33-L37 WeakPolarHBondContact O-CB 3.46Å; L33-L37 VanDerWaalsContact O-CG 3.27Å; L33-L37 WeakPolarHBondContact O-CG 3.27Å; L33-L37 PolarHBondContact O-N 3.46Å; T34-L37 PolarHBondContact O-N 3.25Å; E35-L37 PolarHBondContact O-N 2.79Å; L37-L39 HydrophobicContact CB-CD1 4.15Å; L37-L39 HydrophobicContact CB-CD2 4.24Å; L37-L39 HydrophobicContact CB-CG 3.76Å; L37-L39 HydrophobicContact CD1-CD1 4.27Å; L37-L39 PolarHBondContact O-N 2.95Å; L37-L39 VanDerWaalsContact O-N 3.17Å |
| 38 | R | 76.5 | Confident | 85.5 | Confident | 224 Ų | 224 | 112.9 Ų | 112.9 | 85% | 0.845 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.2 | 40.1 | -177.1 | -62.3 | -175.2 | 173.8 | -178 | -1.9 | 113 | T34 E35 K36 E40 | T34-R38 PolarHBondContact O-N 3.26Å; T34-R38 VanDerWaalsContact O-N 3.1Å; E35-R38 PolarHBondContact O-N 2.79Å; K36-R38 VanDerWaalsContact C-N 3.33Å; R38-E40 PolarHBondContact O-N 2.9Å |
| 39 | L | 79.5 | Confident | 85.5 | Confident | 95 Ų | 95 | 114 Ų | 114 | 50% | 0.497 | 55% | 0.55 | S | S | . | . | trans | -73.6 | 117.6 | 179.2 | -61.7 | 178 | 0 | 0 | 0 | 108.6 | T34 L37 T41 | T34-L39 HydrophobicContact CG2-CD1 4.31Å; T34-L39 PolarHBondContact O-N 2.73Å; L37-L39 HydrophobicContact CB-CD1 4.15Å; L37-L39 HydrophobicContact CB-CD2 4.24Å; L37-L39 HydrophobicContact CB-CG 3.76Å; L37-L39 HydrophobicContact CD1-CD1 4.27Å; L37-L39 PolarHBondContact O-N 2.95Å; L37-L39 VanDerWaalsContact O-N 3.17Å; L39-T41 HydrophobicContact CB-CG2 3.86Å; L39-T41 PolarHBondContact O-N 3.45Å | ||
| 40 | E | 77.8 | Confident | 85.3 | Confident | 172 Ų | 172 | 113.9 Ų | 113.9 | 80% | 0.804 | 54% | 0.542 | S | S | * | . | trans | -70.2 | 75.3 | 167.9 | -66 | -173.4 | 177.8 | 0 | 0 | 109 | R38 R42 | R38-E40 PolarHBondContact O-N 2.9Å; E40-R42 PolarHBondContact O-N 3.03Å | ||
| 41 | T | 72.8 | Confident | 85.2 | Confident | 100 Ų | 100 | 112.9 Ų | 112.9 | 61% | 0.613 | 55% | 0.545 | S | S | * | . | trans | -73.4 | -4.9 | 179.7 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | T34 L39 | T34-T41 HydrophobicContact CG2-CG2 4.24Å; L39-T41 HydrophobicContact CB-CG2 3.86Å; L39-T41 PolarHBondContact O-N 3.45Å | ||
| 42 | R | 77.4 | Confident | 85.3 | Confident | 115 Ų | 115 | 112.4 Ų | 112.4 | 43% | 0.434 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -123.7 | 139.6 | -175.3 | -68 | -178.5 | 170 | -169.9 | -5.5 | 110.5 | E40 Y46 L47 | E40-R42 PolarHBondContact O-N 3.03Å; R42-Y46 HydrophobicContact CB-CD1 4.23Å; R42-Y46 HydrophobicContact CG-CD1 4.28Å; R42-L47 HydrophobicContact CB-CD2 4.09Å; R42-L47 HydrophobicContact CB-CG 4.26Å |
| 43 | R | 86.2 | Confident | 85.2 | Confident | 201 Ų | 201 | 113.5 Ų | 113.5 | 76% | 0.758 | 54% | 0.543 | S | S | * | . | trans | -62.1 | 139.3 | 175 | -69.2 | -177.7 | 175.3 | -176.5 | -1.9 | 109.9 | S45 Y46 L47 | R43-S45 PolarHBondContact O-N 3.27Å; R43-Y46 WeakPolarHBondContact O-CB 3.46Å; R43-Y46 PolarHBondContact O-N 3.35Å; R43-L47 PolarHBondContact O-N 3.46Å | ||
| 44 | P | 82.6 | Confident | 85.1 | Confident | 85 Ų | 85 | 114.4 Ų | 114.4 | 55% | 0.552 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -51.3 | -42 | 180 | -29.5 | 35 | 0 | 0 | 0 | 113.7 | Y46 L47 E48 | P44-Y46 VanDerWaalsContact C-N 3.25Å; P44-Y46 PolarHBondContact O-N 3.1Å; P44-L47 PolarHBondContact O-N 2.63Å; P44-L47 VanDerWaalsContact O-N 3.08Å; P44-E48 PolarHBondContact O-N 2.98Å; P44-E48 VanDerWaalsContact O-N 3.12Å |
| 45 | S | 86.8 | Confident | 85 | Confident | 78 Ų | 78 | 114.6 Ų | 114.6 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.9 | -29.8 | 178 | 57.3 | 0 | 0 | 0 | 0 | 114.3 | R43 W49 | R43-S45 PolarHBondContact O-N 3.27Å; S45-W49 WeakPolarHBondContact O-CB 3.39Å; S45-W49 PolarHBondContact O-N 3.32Å; S45-W49 VanDerWaalsContact O-N 3.16Å |
| 46 | Y | 86.8 | Confident | 84.8 | Confident | 95 Ų | 95 | 112.7 Ų | 112.7 | 37% | 0.373 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -74.8 | -34.3 | 176.9 | 176.2 | -90.7 | 0 | 0 | 0 | 111.7 | R42 R43 P44 W49 K50 | R42-Y46 HydrophobicContact CB-CD1 4.23Å; R42-Y46 HydrophobicContact CG-CD1 4.28Å; R43-Y46 WeakPolarHBondContact O-CB 3.46Å; R43-Y46 PolarHBondContact O-N 3.35Å; P44-Y46 VanDerWaalsContact C-N 3.25Å; P44-Y46 PolarHBondContact O-N 3.1Å; Y46-W49 HydrophobicContact CD2-CE3 4.11Å; Y46-W49 HydrophobicContact CD2-CZ3 4.37Å; Y46-W49 AromaticContact CE2-CE3 3.95Å; Y46-W49 HydrophobicContact CE2-CE3 3.95Å; Y46-W49 AromaticContact CE2-CZ3 3.77Å; Y46-W49 HydrophobicContact CE2-CZ3 3.77Å; Y46-K50 WeakPolarHBondContact O-CB 3.4Å; Y46-K50 PolarHBondContact O-N 3.17Å |
| 47 | L | 86.6 | Confident | 83.9 | Confident | 88 Ų | 88 | 109.2 Ų | 109.2 | 46% | 0.461 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.1 | -40.2 | 176.1 | -63.7 | 177.2 | 0 | 0 | 0 | 111.2 | R42 R43 P44 K50 A51 | R42-L47 HydrophobicContact CB-CD2 4.09Å; R42-L47 HydrophobicContact CB-CG 4.26Å; R43-L47 PolarHBondContact O-N 3.46Å; P44-L47 PolarHBondContact O-N 2.63Å; P44-L47 VanDerWaalsContact O-N 3.08Å; L47-K50 PolarHBondContact O-N 3.33Å; L47-A51 WeakPolarHBondContact O-CB 3.41Å; L47-A51 PolarHBondContact O-N 3.35Å |
| 48 | E | 90.1 | Very high | 83.1 | Confident | 127 Ų | 127 | 111 Ų | 111 | 59% | 0.593 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.6 | -48 | 174.1 | -70.4 | 174.9 | 178 | 0 | 0 | 111.7 | P44 K50 A51 Q52 | P44-E48 PolarHBondContact O-N 2.98Å; P44-E48 VanDerWaalsContact O-N 3.12Å; E48-K50 PolarHBondContact O-N 2.96Å; E48-A51 PolarHBondContact O-N 3.23Å; E48-Q52 WeakPolarHBondContact O-CG 3.37Å; E48-Q52 PolarHBondContact O-N 3.22Å |
| 49 | W | 91.2 | Very high | 82.7 | Confident | 131 Ų | 131 | 106.9 Ų | 106.9 | 50% | 0.496 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 175.9 | 173.2 | 76.2 | 0 | 0 | 0 | 112.6 | S45 Y46 A51 Q52 L53 | S45-W49 WeakPolarHBondContact O-CB 3.39Å; S45-W49 PolarHBondContact O-N 3.32Å; S45-W49 VanDerWaalsContact O-N 3.16Å; Y46-W49 HydrophobicContact CD2-CE3 4.11Å; Y46-W49 HydrophobicContact CD2-CZ3 4.37Å; Y46-W49 AromaticContact CE2-CE3 3.95Å; Y46-W49 HydrophobicContact CE2-CE3 3.95Å; Y46-W49 AromaticContact CE2-CZ3 3.77Å; Y46-W49 HydrophobicContact CE2-CZ3 3.77Å; W49-A51 VanDerWaalsContact C-N 3.33Å; W49-A51 PolarHBondContact O-N 2.88Å; W49-Q52 WeakPolarHBondContact O-CB 3.27Å; W49-Q52 PolarHBondContact O-N 3.12Å; W49-L53 HydrophobicContact CD2-CD1 4.18Å; W49-L53 HydrophobicContact CE3-CD1 4.4Å; W49-L53 HydrophobicContact CH2-CD1 3.56Å; W49-L53 HydrophobicContact CZ2-CD1 3.27Å; W49-L53 HydrophobicContact CZ2-CG 4.33Å; W49-L53 HydrophobicContact CZ3-CD1 4.12Å; W49-L53 PolarHBondContact O-N 3.35Å; W49-L53 VanDerWaalsContact O-N 3.1Å |
| 50 | K | 87.8 | Confident | 81.7 | Confident | 76 Ų | 76 | 108.6 Ų | 108.6 | 33% | 0.33 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 175.9 | -174.9 | 174.4 | -175.4 | -84.2 | 0 | 111.6 | Y46 L47 E48 Q52 L53 E54 | Y46-K50 WeakPolarHBondContact O-CB 3.4Å; Y46-K50 PolarHBondContact O-N 3.17Å; L47-K50 PolarHBondContact O-N 3.33Å; E48-K50 PolarHBondContact O-N 2.96Å; K50-Q52 VanDerWaalsContact C-N 3.34Å; K50-L53 PolarHBondContact O-N 2.98Å; K50-E54 WeakPolarHBondContact CE-OE1 3.45Å; K50-E54 IonicContact NZ-OE1 2.63Å; K50-E54 PolarHBondContact NZ-OE1 2.97Å; K50-E54 WeakPolarHBondContact O-CG 3.5Å; K50-E54 PolarHBondContact O-N 3.16Å |
| 51 | A | 88.3 | Confident | 80.7 | Confident | 56 Ų | 56 | 104.4 Ų | 104.4 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.6 | -37.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L47 E48 W49 A55 | L47-A51 WeakPolarHBondContact O-CB 3.41Å; L47-A51 PolarHBondContact O-N 3.35Å; E48-A51 PolarHBondContact O-N 3.23Å; W49-A51 VanDerWaalsContact C-N 3.33Å; W49-A51 PolarHBondContact O-N 2.88Å; A51-A55 WeakPolarHBondContact O-CB 3.42Å; A51-A55 PolarHBondContact O-N 2.78Å |
| 52 | Q | 91.1 | Very high | 79.7 | Confident | 126 Ų | 126 | 107.1 Ų | 107.1 | 59% | 0.589 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.9 | -46.5 | 174 | -72.6 | 172.5 | -10.1 | 0 | 0 | 111.7 | E48 W49 K50 A55 E56 | E48-Q52 WeakPolarHBondContact O-CG 3.37Å; E48-Q52 PolarHBondContact O-N 3.22Å; W49-Q52 WeakPolarHBondContact O-CB 3.27Å; W49-Q52 PolarHBondContact O-N 3.12Å; K50-Q52 VanDerWaalsContact C-N 3.34Å; Q52-A55 PolarHBondContact O-N 3.08Å; Q52-E56 WeakPolarHBondContact O-CG 3.27Å; Q52-E56 PolarHBondContact O-N 3.04Å |
| 53 | L | 87.6 | Confident | 78.1 | Confident | 79 Ų | 79 | 107.4 Ų | 107.4 | 41% | 0.414 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 178.3 | -78.7 | -178.6 | 0 | 0 | 0 | 113.4 | W49 K50 A55 E56 S57 | W49-L53 HydrophobicContact CD2-CD1 4.18Å; W49-L53 HydrophobicContact CE3-CD1 4.4Å; W49-L53 HydrophobicContact CH2-CD1 3.56Å; W49-L53 HydrophobicContact CZ2-CD1 3.27Å; W49-L53 HydrophobicContact CZ2-CG 4.33Å; W49-L53 HydrophobicContact CZ3-CD1 4.12Å; W49-L53 PolarHBondContact O-N 3.35Å; W49-L53 VanDerWaalsContact O-N 3.1Å; K50-L53 PolarHBondContact O-N 2.98Å; L53-A55 VanDerWaalsContact C-N 3.31Å; L53-E56 PolarHBondContact O-N 3.17Å; L53-S57 WeakPolarHBondContact O-CB 3.27Å; L53-S57 PolarHBondContact O-N 3.5Å |
| 54 | E | 88.8 | Confident | 76.2 | Confident | 91 Ų | 91 | 101 Ų | 101 | 43% | 0.425 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 174.9 | -73.5 | 175 | -174.8 | 0 | 0 | 110.5 | K50 E56 S57 F58 | K50-E54 WeakPolarHBondContact CE-OE1 3.45Å; K50-E54 IonicContact NZ-OE1 2.63Å; K50-E54 PolarHBondContact NZ-OE1 2.97Å; K50-E54 WeakPolarHBondContact O-CG 3.5Å; K50-E54 PolarHBondContact O-N 3.16Å; E54-E56 VanDerWaalsContact C-N 3.33Å; E54-E56 PolarHBondContact O-N 3.27Å; E54-S57 PolarHBondContact O-N 3.44Å; E54-F58 WeakPolarHBondContact O-CD2 3.48Å; E54-F58 PolarHBondContact O-N 2.97Å |
| 55 | A | 85 | Confident | 74.3 | Confident | 50 Ų | 50 | 105.7 Ų | 105.7 | 41% | 0.413 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.7 | -33.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | A51 Q52 L53 K59 | A51-A55 WeakPolarHBondContact O-CB 3.42Å; A51-A55 PolarHBondContact O-N 2.78Å; Q52-A55 PolarHBondContact O-N 3.08Å; L53-A55 VanDerWaalsContact C-N 3.31Å; A55-K59 WeakPolarHBondContact O-CG 3.48Å; A55-K59 PolarHBondContact O-N 3.37Å |
| 56 | E | 80.9 | Confident | 71.6 | Confident | 115 Ų | 115 | 112.2 Ų | 112.2 | 54% | 0.537 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -73.8 | -40 | 175.3 | -72 | -166.4 | 162.5 | 0 | 0 | 112.5 | Q52 L53 E54 F58 K59 D60 | Q52-E56 WeakPolarHBondContact O-CG 3.27Å; Q52-E56 PolarHBondContact O-N 3.04Å; L53-E56 PolarHBondContact O-N 3.17Å; E54-E56 VanDerWaalsContact C-N 3.33Å; E54-E56 PolarHBondContact O-N 3.27Å; E56-F58 PolarHBondContact O-N 3.1Å; E56-K59 WeakPolarHBondContact O-CB 3.45Å; E56-K59 PolarHBondContact O-N 2.92Å; E56-D60 PolarHBondContact O-N 2.94Å |
| 57 | S | 73.3 | Confident | 69.4 | Low | 80 Ų | 80 | 116.5 Ų | 116.5 | 56% | 0.559 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -56.4 | -37.7 | 174 | -177.6 | 0 | 0 | 0 | 0 | 112.7 | L53 E54 S61 | L53-S57 WeakPolarHBondContact O-CB 3.27Å; L53-S57 PolarHBondContact O-N 3.5Å; E54-S57 PolarHBondContact O-N 3.44Å; S57-S61 PolarHBondContact O-N 2.88Å; S57-S61 PolarHBondContact O-OG 3.2Å |
| 58 | F | 67.4 | Low | 66.8 | Low | 148 Ų | 148 | 120.6 Ų | 120.6 | 65% | 0.649 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.9 | -29.1 | 174.3 | -73.8 | -66.7 | 0 | 0 | 0 | 113.8 | E54 E56 S61 Q62 | E54-F58 WeakPolarHBondContact O-CD2 3.48Å; E54-F58 PolarHBondContact O-N 2.97Å; E56-F58 PolarHBondContact O-N 3.1Å; F58-S61 WeakPolarHBondContact CA-OG 3.36Å; F58-S61 PolarHBondContact O-OG 2.74Å; F58-Q62 PolarHBondContact O-N 3.25Å |
| 59 | K | 69.8 | Low | 64 | Low | 136 Ų | 136 | 122.9 Ų | 122.9 | 59% | 0.591 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -74.3 | -37.4 | 177.3 | -75.5 | 175 | -179.4 | 178.5 | 0 | 112.3 | A55 E56 S61 Q62 T63 | A55-K59 WeakPolarHBondContact O-CG 3.48Å; A55-K59 PolarHBondContact O-N 3.37Å; E56-K59 WeakPolarHBondContact O-CB 3.45Å; E56-K59 PolarHBondContact O-N 2.92Å; K59-S61 VanDerWaalsContact C-N 3.29Å; K59-S61 PolarHBondContact O-N 3.47Å; K59-Q62 PolarHBondContact O-N 3.39Å; K59-T63 PolarHBondContact O-N 3.23Å; K59-T63 PolarHBondContact O-OG1 2.95Å; K59-T63 VanDerWaalsContact O-OG1 3.06Å |
| 60 | D | 56.7 | Low | 61.2 | Low | 131 Ų | 131 | 124.5 Ų | 124.5 | 70% | 0.701 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -67.2 | -32.2 | 178.5 | -74.7 | -16.8 | 0 | 0 | 0 | 112.2 | E56 | E56-D60 PolarHBondContact O-N 2.94Å |
| 61 | S | 57.8 | Low | 58.4 | Low | 85 Ų | 85 | 129.6 Ų | 129.6 | 59% | 0.594 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -79 | -17.2 | 176.6 | 35.5 | 0 | 0 | 0 | 0 | 113.8 | S57 F58 K59 | S57-S61 PolarHBondContact O-N 2.88Å; S57-S61 PolarHBondContact O-OG 3.2Å; F58-S61 WeakPolarHBondContact CA-OG 3.36Å; F58-S61 PolarHBondContact O-OG 2.74Å; K59-S61 VanDerWaalsContact C-N 3.29Å; K59-S61 PolarHBondContact O-N 3.47Å |
| 62 | Q | 51.3 | Low | 56 | Low | 156 Ų | 156 | 137.3 Ų | 137.3 | 73% | 0.729 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -91.6 | -15.2 | 179.5 | -152.7 | 168.1 | 3.3 | 0 | 0 | 113.7 | F58 K59 G64 | F58-Q62 PolarHBondContact O-N 3.25Å; K59-Q62 PolarHBondContact O-N 3.39Å; Q62-G64 VanDerWaalsContact C-N 3.34Å |
| 63 | T | 43.8 | Very low | 53.2 | Low | 122 Ų | 122 | 139.2 Ų | 139.2 | 75% | 0.748 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -85.9 | -5.6 | -179.7 | -49.3 | 0 | 0 | 0 | 0 | 112.9 | K59 K65 | K59-T63 PolarHBondContact O-N 3.23Å; K59-T63 PolarHBondContact O-OG1 2.95Å; K59-T63 VanDerWaalsContact O-OG1 3.06Å; T63-K65 PolarHBondContact O-N 3.44Å |
| 64 | G | 45.9 | Very low | 50.5 | Low | 67 Ų | 67 | 138.8 Ų | 138.8 | 69% | 0.691 | 71% | 0.714 | S | S | * | * | trans | -88.1 | 63.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q62 | Q62-G64 VanDerWaalsContact C-N 3.34Š| ||
| 65 | K | 42.9 | Very low | 47.8 | Very low | 182 Ų | 182 | 143.5 Ų | 143.5 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | trans | -124.6 | 94.1 | 164.3 | -78.6 | -169.6 | 177.9 | -177.4 | 0 | 110.2 | T63 | T63-K65 PolarHBondContact O-N 3.44Š| ||
| 66 | F | 29.7 | Very low | 45.9 | Very low | 216 Ų | 216 | 146.2 Ų | 146.2 | 95% | 0.947 | 75% | 0.75 | S | S | * | * | trans | -135.6 | 133.3 | 146.6 | -94.3 | -81.4 | 0 | 0 | 0 | 110 | ||||
| 67 | Q | 41 | Very low | 43.5 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | -76 | 137.5 | -168.1 | -60.4 | 160.8 | 2.5 | 0 | 0 | 110.7 | ||||
| 68 | I | 33.2 | Very low | 41.4 | Very low | 175 Ų | 175 | 148.1 Ų | 148.1 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | -133.4 | 124.6 | 144 | -63.2 | -174.7 | 0 | 0 | 0 | 108.4 | ||||
| 69 | Q | 31.4 | Very low | 39.5 | Very low | 174 Ų | 174 | 146.7 Ų | 146.7 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -79.9 | 136.4 | -177.7 | -177.9 | 171.8 | 9.9 | 0 | 0 | 110.4 | ||||
| 70 | E | 32.2 | Very low | 37.9 | Very low | 165 Ų | 165 | 150.3 Ų | 150.3 | 77% | 0.771 | 79% | 0.788 | S | S | * | * | trans | 2.2 | 123.4 | 145.1 | -155.2 | 168.7 | -151.7 | 0 | 0 | 118.4 | ||||
| 71 | E | 28.6 | Very low | 36.9 | Very low | 184 Ų | 184 | 153.5 Ų | 153.5 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -161.5 | 118.3 | 143.3 | -108.5 | -86.8 | 133.8 | 0 | 0 | 109.4 | ||||
| 72 | R | 38.2 | Very low | 35.7 | Very low | 218 Ų | 218 | 154.9 Ų | 154.9 | 82% | 0.823 | 81% | 0.809 | S | S | * | * | trans | -82 | 141.9 | 160.1 | -58.8 | 176.4 | -163.3 | 166.2 | 5.6 | 106.6 | ||||
| 73 | D | 30.6 | Very low | 34.9 | Very low | 166 Ų | 166 | 151.8 Ų | 151.8 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | 178 | 151.5 | 116.5 | -146.6 | 2 | 0 | 0 | 0 | 113.1 | |||||
| 74 | G | 31.6 | Very low | 34.6 | Very low | 69 Ų | 69 | 150 Ų | 150 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | trans | 82.2 | 98.5 | 140.8 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 75 | Q | 31.8 | Very low | 33.9 | Very low | 191 Ų | 191 | 154.6 Ų | 154.6 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | -97.8 | 171.9 | 148.8 | -158.7 | 160.6 | -21.8 | 0 | 0 | 107.8 | ||||
| 76 | P | 45.5 | Very low | 33.6 | Very low | 106 Ų | 106 | 151.6 Ų | 151.6 | 69% | 0.688 | 82% | 0.818 | S | S | * | * | cis | -128.3 | -176.9 | 6.8 | 27.5 | -1.4 | 0 | 0 | 0 | 113.8 | ||||
| 77 | V | 31.4 | Very low | 34 | Very low | 119 Ų | 119 | 147.8 Ų | 147.8 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | 176.8 | 124.2 | 96.4 | 165 | 0 | 0 | 0 | 0 | 112 | |||||
| 78 | T | 29 | Very low | 34.1 | Very low | 116 Ų | 116 | 147 Ų | 147 | 71% | 0.712 | 80% | 0.802 | S | S | * | * | trans | 32.9 | 131 | 146.8 | 73.1 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 79 | C | 26.6 | Very low | 34.6 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | 65 | 119.3 | 128.9 | -70 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 80 | K | 36.9 | Very low | 35.3 | Very low | 212 Ų | 212 | 143.4 Ų | 143.4 | 92% | 0.922 | 79% | 0.794 | S | S | * | * | -167.7 | 128.3 | 106.3 | -99.3 | 168.8 | -173.2 | -177.5 | 0 | 112 | |||||
| 81 | E | 34.8 | Very low | 35.6 | Very low | 198 Ų | 198 | 145.1 Ų | 145.1 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | trans | -74.6 | 144 | 166 | -74.1 | 176.4 | 138.2 | 0 | 0 | 110.9 | ||||
| 82 | S | 33.3 | Very low | 36.6 | Very low | 115 Ų | 115 | 145 Ų | 145 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -161.8 | 98.5 | 156.7 | 165.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 83 | A | 34.4 | Very low | 37.2 | Very low | 91 Ų | 91 | 140.9 Ų | 140.9 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | 38.7 | 116.2 | 136.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 84 | A | 37.1 | Very low | 37.9 | Very low | 85 Ų | 85 | 138.4 Ų | 138.4 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | 64.9 | 108.4 | 124.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 85 | N | 31.5 | Very low | 38.9 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | trans | 92.5 | 121.1 | 131 | -66.4 | -23.5 | 0 | 0 | 0 | 121.3 | ||||
| 86 | S | 37.5 | Very low | 39.9 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | trans | 101 | 114.9 | 136.9 | -148.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 87 | D | 37 | Very low | 40.3 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | 101 | 133.5 | 141.3 | -152.4 | 18.9 | 0 | 0 | 0 | 118.2 | ||||
| 88 | K | 43.3 | Very low | 41.6 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | trans | 75.1 | 76.4 | 176.1 | -51.3 | 178.7 | -173 | 176.6 | 0 | 115.7 | Q90 | K88-Q90 PolarHBondContact O-N 3.4Š| ||
| 89 | S | 44.9 | Very low | 43.3 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -66.3 | 72 | 152.9 | -166.8 | 0 | 0 | 0 | 0 | 109.6 | R91 | S89-R91 PolarHBondContact O-N 2.94Š| ||
| 90 | Q | 45.8 | Very low | 45.7 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | -71.8 | 85.8 | 149.9 | -83.1 | -164.9 | -13.9 | 0 | 0 | 106 | K88 K92 | K88-Q90 PolarHBondContact O-N 3.4Å; Q90-K92 PolarHBondContact O-N 3.33Å | ||
| 91 | R | 37.5 | Very low | 47.8 | Very low | 202 Ų | 202 | 127.7 Ų | 127.7 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | trans | -65.9 | 77.6 | 161 | -143.7 | -179.8 | -156.5 | 168.8 | 4.8 | 106.1 | S89 Q93 | S89-R91 PolarHBondContact O-N 2.94Å; R91-Q93 PolarHBondContact O-N 2.91Å | ||
| 92 | K | 48.9 | Very low | 50.2 | Low | 181 Ų | 181 | 127 Ų | 127 | 79% | 0.787 | 72% | 0.721 | S | S | * | * | trans | -63.5 | 86.3 | 158.8 | -85.1 | -175.9 | 177.4 | -178.3 | 0 | 105 | Q90 | Q90-K92 PolarHBondContact O-N 3.33Š| ||
| 93 | Q | 51.1 | Low | 52.9 | Low | 131 Ų | 131 | 125.4 Ų | 125.4 | 61% | 0.612 | 70% | 0.703 | S | S | * | * | trans | -50.8 | 133.1 | 162 | -69.4 | -72.9 | -0.4 | 0 | 0 | 105.9 | R91 S95 | R91-Q93 PolarHBondContact O-N 2.91Å; Q93-S95 VanDerWaalsContact C-N 3.34Å; Q93-S95 PolarHBondContact O-N 3.5Å | ||
| 94 | P | 45.3 | Very low | 55.7 | Low | 115 Ų | 115 | 125.9 Ų | 125.9 | 75% | 0.747 | 69% | 0.692 | S | S | * | * | trans | -57.8 | 109.7 | 169.5 | 25.4 | -30.3 | 0 | 0 | 0 | 105.2 | G96 | P94-G96 PolarHBondContact O-N 2.9Š| ||
| 95 | S | 54.1 | Low | 58.5 | Low | 107 Ų | 107 | 127 Ų | 127 | 75% | 0.748 | 69% | 0.686 | S | S | * | * | trans | -65 | 80.4 | 168.4 | -172.1 | 0 | 0 | 0 | 0 | 105.2 | Q93 V97 | Q93-S95 VanDerWaalsContact C-N 3.34Å; Q93-S95 PolarHBondContact O-N 3.5Å; S95-V97 VanDerWaalsContact C-N 3.28Å; S95-V97 PolarHBondContact O-N 3.47Å | ||
| 96 | G | 51.8 | Low | 61.4 | Low | 51 Ų | 51 | 123 Ų | 123 | 53% | 0.526 | 66% | 0.663 | S | S | . | * | trans | -60.9 | 104.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 103.9 | P94 L98 | P94-G96 PolarHBondContact O-N 2.9Å; G96-L98 VanDerWaalsContact C-N 3.31Å; G96-L98 PolarHBondContact O-N 3.32Å | ||
| 97 | V | 53.7 | Low | 64.2 | Low | 131 Ų | 131 | 118.6 Ų | 118.6 | 79% | 0.794 | 63% | 0.633 | S | S | * | * | trans | -32.8 | 98.1 | 171 | 174.3 | 0 | 0 | 0 | 0 | 107.8 | S95 K99 | S95-V97 VanDerWaalsContact C-N 3.28Å; S95-V97 PolarHBondContact O-N 3.47Å; V97-K99 PolarHBondContact O-N 2.99Å | ||
| 98 | L | 58.7 | Low | 66.9 | Low | 70 Ų | 70 | 115.7 Ų | 115.7 | 37% | 0.366 | 62% | 0.617 | S | S | . | * | B | Isolated β-bridge | trans | -66.3 | 113.2 | 174 | -63.5 | 174.6 | 0 | 0 | 0 | 103.6 | G96 G100 F101 I104 | G96-L98 VanDerWaalsContact C-N 3.31Å; G96-L98 PolarHBondContact O-N 3.32Å; L98-G100 PolarHBondContact O-N 3.48Å; L98-F101 HydrophobicContact CB-CB 4.34Å; L98-F101 PolarHBondContact O-N 2.89Å; L98-I104 HydrophobicContact CD1-CB 4.16Å; L98-I104 HydrophobicContact CD1-CG1 3.48Å; L98-I104 VanDerWaalsContact CD1-CG1 3.48Å |
| 99 | K | 65.4 | Low | 69.4 | Low | 200 Ų | 200 | 110.8 Ų | 110.8 | 87% | 0.87 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -39.8 | 94.7 | -177.7 | -171.6 | 174.6 | -178.6 | -178.2 | 0 | 110.8 | V97 | V97-K99 PolarHBondContact O-N 2.99Š|
| 100 | G | 77.6 | Confident | 71.8 | Confident | 79 Ų | 79 | 111.6 Ų | 111.6 | 81% | 0.814 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.4 | -0.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | L98 | L98-G100 PolarHBondContact O-N 3.48Š|
| 101 | F | 79.8 | Confident | 74.2 | Confident | 67 Ų | 67 | 108.5 Ų | 108.5 | 29% | 0.294 | 58% | 0.577 | S | S | . | * | B | Isolated β-bridge | trans | -119.3 | 137.1 | 178.5 | -64.6 | -77.9 | 0 | 0 | 0 | 111.2 | L98 N103 E106 A107 W110 | L98-F101 HydrophobicContact CB-CB 4.34Å; L98-F101 PolarHBondContact O-N 2.89Å; F101-N103 VanDerWaalsContact C-N 3.33Å; F101-E106 HydrophobicContact CD1-CB 4.5Å; F101-E106 HydrophobicContact CD1-CG 4.08Å; F101-A107 HydrophobicContact CB-CB 4.13Å; F101-A107 HydrophobicContact CD1-CB 4.23Å; F101-A107 HydrophobicContact CD2-CB 3.84Å; F101-A107 HydrophobicContact CE2-CB 4.3Å; F101-A107 HydrophobicContact CG-CB 3.8Å; F101-W110 HydrophobicContact CE1-CB 3.88Å; F101-W110 HydrophobicContact CE1-CD2 4.43Å; F101-W110 AromaticContact CE1-CG 3.98Å; F101-W110 HydrophobicContact CE1-CG 3.98Å; F101-W110 HydrophobicContact CZ-CB 4.22Å; F101-W110 AromaticContact CZ-CD2 3.94Å; F101-W110 HydrophobicContact CZ-CD2 3.94Å; F101-W110 HydrophobicContact CZ-CE3 4.07Å; F101-W110 AromaticContact CZ-CG 3.98Å; F101-W110 HydrophobicContact CZ-CG 3.98Å |
| 102 | E | 85.2 | Confident | 77.1 | Confident | 184 Ų | 184 | 106.7 Ų | 106.7 | 86% | 0.86 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -74.4 | -26.7 | -175 | -136.1 | 171.8 | 175.7 | 0 | 0 | 111.6 | E106 | E102-E106 VanDerWaalsContact CB-OE2 3.31Å; E102-E106 WeakPolarHBondContact CB-OE2 3.45Å; E102-E106 PolarHBondContact N-OE2 2.8Å |
| 103 | N | 90.9 | Very high | 79.4 | Confident | 81 Ų | 81 | 104.6 Ų | 104.6 | 43% | 0.433 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -151.1 | 159.9 | 176.7 | -175 | 24.2 | 0 | 0 | 0 | 112.5 | F101 D105 E106 A107 | F101-N103 VanDerWaalsContact C-N 3.33Å; N103-D105 VanDerWaalsContact C-N 3.27Å; N103-D105 PolarHBondContact ND2-OD2 3.45Å; N103-D105 PolarHBondContact O-N 3.43Å; N103-E106 WeakPolarHBondContact O-CB 3.39Å; N103-E106 PolarHBondContact O-N 2.83Å; N103-A107 PolarHBondContact O-N 2.9Å |
| 104 | I | 93.8 | Very high | 81.6 | Confident | 102 Ų | 102 | 101.8 Ų | 101.8 | 52% | 0.523 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -57.3 | -41.6 | 175.1 | -61.6 | 172.2 | 0 | 0 | 0 | 110.8 | L98 E106 A107 L108 | L98-I104 HydrophobicContact CD1-CB 4.16Å; L98-I104 HydrophobicContact CD1-CG1 3.48Å; L98-I104 VanDerWaalsContact CD1-CG1 3.48Å; I104-E106 PolarHBondContact O-N 3.05Å; I104-A107 PolarHBondContact O-N 2.71Å; I104-L108 HydrophobicContact CG2-CD1 4.06Å; I104-L108 HydrophobicContact CG2-CG 4.28Å; I104-L108 WeakPolarHBondContact O-CG 3.35Å; I104-L108 PolarHBondContact O-N 3.14Å |
| 105 | D | 93.9 | Very high | 84.2 | Confident | 107 Ų | 107 | 101 Ų | 101 | 57% | 0.572 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.9 | -33.5 | -179 | -61.8 | -50.7 | 0 | 0 | 0 | 112.2 | N103 L108 S109 | N103-D105 VanDerWaalsContact C-N 3.27Å; N103-D105 PolarHBondContact ND2-OD2 3.45Å; N103-D105 PolarHBondContact O-N 3.43Å; D105-L108 PolarHBondContact O-N 3.4Å; D105-S109 WeakPolarHBondContact O-CB 3.32Å; D105-S109 PolarHBondContact O-N 2.88Å |
| 106 | E | 93.7 | Very high | 86.3 | Confident | 81 Ų | 81 | 99.9 Ų | 99.9 | 38% | 0.379 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.8 | -47.4 | 176.5 | -169.1 | -173.5 | -175.6 | 0 | 0 | 110.5 | F101 E102 N103 I104 L108 S109 W110 | F101-E106 HydrophobicContact CD1-CB 4.5Å; F101-E106 HydrophobicContact CD1-CG 4.08Å; E102-E106 VanDerWaalsContact CB-OE2 3.31Å; E102-E106 WeakPolarHBondContact CB-OE2 3.45Å; E102-E106 PolarHBondContact N-OE2 2.8Å; N103-E106 WeakPolarHBondContact O-CB 3.39Å; N103-E106 PolarHBondContact O-N 2.83Å; I104-E106 PolarHBondContact O-N 3.05Å; E106-L108 VanDerWaalsContact C-N 3.32Å; E106-L108 PolarHBondContact O-N 3.29Å; E106-S109 PolarHBondContact O-N 3.38Å; E106-S109 VanDerWaalsContact O-N 3.14Å; E106-S109 PolarHBondContact O-OG 2.94Å; E106-W110 PolarHBondContact O-N 3.08Å |
| 107 | A | 94.9 | Very high | 88.5 | Confident | 24 Ų | 24 | 100.4 Ų | 100.4 | 20% | 0.198 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F101 N103 I104 W110 L111 | F101-A107 HydrophobicContact CB-CB 4.13Å; F101-A107 HydrophobicContact CD1-CB 4.23Å; F101-A107 HydrophobicContact CD2-CB 3.84Å; F101-A107 HydrophobicContact CE2-CB 4.3Å; F101-A107 HydrophobicContact CG-CB 3.8Å; N103-A107 PolarHBondContact O-N 2.9Å; I104-A107 PolarHBondContact O-N 2.71Å; A107-W110 PolarHBondContact O-N 3.07Å; A107-L111 WeakPolarHBondContact O-CB 3.27Å; A107-L111 PolarHBondContact O-N 3.46Å |
| 108 | L | 95.1 | Very high | 90.6 | Very high | 76 Ų | 76 | 98.5 Ų | 98.5 | 40% | 0.398 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.9 | -37.1 | 175.2 | -68.8 | 178.5 | 0 | 0 | 0 | 112.4 | I104 D105 E106 R112 | I104-L108 HydrophobicContact CG2-CD1 4.06Å; I104-L108 HydrophobicContact CG2-CG 4.28Å; I104-L108 WeakPolarHBondContact O-CG 3.35Å; I104-L108 PolarHBondContact O-N 3.14Å; D105-L108 PolarHBondContact O-N 3.4Å; E106-L108 VanDerWaalsContact C-N 3.32Å; E106-L108 PolarHBondContact O-N 3.29Å; L108-R112 VanDerWaalsContact O-CG 3.27Å; L108-R112 WeakPolarHBondContact O-CG 3.27Å; L108-R112 PolarHBondContact O-N 2.86Å; L108-R112 VanDerWaalsContact O-N 3.08Å |
| 109 | S | 95.6 | Very high | 92.5 | Very high | 65 Ų | 65 | 103.1 Ų | 103.1 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 176.1 | 79.6 | 0 | 0 | 0 | 0 | 111.5 | D105 E106 R112 K113 | D105-S109 WeakPolarHBondContact O-CB 3.32Å; D105-S109 PolarHBondContact O-N 2.88Å; E106-S109 PolarHBondContact O-N 3.38Å; E106-S109 VanDerWaalsContact O-N 3.14Å; E106-S109 PolarHBondContact O-OG 2.94Å; S109-R112 PolarHBondContact O-N 3.47Å; S109-K113 PolarHBondContact O-N 3.18Å |
| 110 | W | 96 | Very high | 94.1 | Very high | 131 Ų | 131 | 97.6 Ų | 97.6 | 50% | 0.496 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.6 | -50.3 | 175 | 175.7 | 82.5 | 0 | 0 | 0 | 111.1 | F101 E106 A107 R112 K113 E114 | F101-W110 HydrophobicContact CE1-CB 3.88Å; F101-W110 HydrophobicContact CE1-CD2 4.43Å; F101-W110 AromaticContact CE1-CG 3.98Å; F101-W110 HydrophobicContact CE1-CG 3.98Å; F101-W110 HydrophobicContact CZ-CB 4.22Å; F101-W110 AromaticContact CZ-CD2 3.94Å; F101-W110 HydrophobicContact CZ-CD2 3.94Å; F101-W110 HydrophobicContact CZ-CE3 4.07Å; F101-W110 AromaticContact CZ-CG 3.98Å; F101-W110 HydrophobicContact CZ-CG 3.98Å; E106-W110 PolarHBondContact O-N 3.08Å; A107-W110 PolarHBondContact O-N 3.07Å; W110-R112 VanDerWaalsContact C-N 3.28Å; W110-R112 PolarHBondContact O-N 2.93Å; W110-K113 WeakPolarHBondContact O-CB 3.38Å; W110-K113 PolarHBondContact O-N 3.24Å; W110-E114 HydrophobicContact CH2-CB 4.49Å; W110-E114 HydrophobicContact CH2-CG 4.23Å; W110-E114 HydrophobicContact CZ2-CB 4.31Å; W110-E114 HydrophobicContact CZ2-CG 4.1Å; W110-E114 WeakPolarHBondContact O-CB 3.38Å; W110-E114 PolarHBondContact O-N 3.26Å |
| 111 | L | 96.1 | Very high | 95.1 | Very high | 93 Ų | 93 | 99 Ų | 99 | 49% | 0.487 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.1 | -41.1 | -180 | -173 | 152 | 0 | 0 | 0 | 111.6 | A107 E114 L115 | A107-L111 WeakPolarHBondContact O-CB 3.27Å; A107-L111 PolarHBondContact O-N 3.46Å; L111-E114 PolarHBondContact O-N 3.47Å; L111-L115 HydrophobicContact CD2-CD1 4.41Å; L111-L115 VanDerWaalsContact O-CB 3.27Å; L111-L115 WeakPolarHBondContact O-CB 3.48Å; L111-L115 PolarHBondContact O-N 3.1Å |
| 112 | R | 97.9 | Very high | 96 | Very high | 164 Ų | 164 | 101 Ų | 101 | 62% | 0.619 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.4 | -44.7 | 175.5 | -73.9 | 173.8 | -173.2 | 143.8 | 2.7 | 111.6 | L108 S109 W110 L115 T116 | L108-R112 VanDerWaalsContact O-CG 3.27Å; L108-R112 WeakPolarHBondContact O-CG 3.27Å; L108-R112 PolarHBondContact O-N 2.86Å; L108-R112 VanDerWaalsContact O-N 3.08Å; S109-R112 PolarHBondContact O-N 3.47Å; W110-R112 VanDerWaalsContact C-N 3.28Å; W110-R112 PolarHBondContact O-N 2.93Å; R112-L115 PolarHBondContact O-N 3.14Å; R112-T116 WeakPolarHBondContact O-CG2 3.4Å; R112-T116 PolarHBondContact O-N 3.07Å; R112-T116 PolarHBondContact O-OG1 3.44Å |
| 113 | K | 97.4 | Very high | 96.6 | Very high | 137 Ų | 137 | 96 Ų | 96 | 60% | 0.596 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.3 | -47.6 | 178.1 | -174.2 | 177.8 | 178.8 | -179.5 | 0 | 111.4 | S109 W110 L115 T116 D117 | S109-K113 PolarHBondContact O-N 3.18Å; W110-K113 WeakPolarHBondContact O-CB 3.38Å; W110-K113 PolarHBondContact O-N 3.24Å; K113-L115 VanDerWaalsContact C-N 3.3Å; K113-L115 PolarHBondContact O-N 3.17Å; K113-T116 WeakPolarHBondContact CA-OG1 3.42Å; K113-T116 PolarHBondContact O-N 2.91Å; K113-T116 VanDerWaalsContact O-N 3.14Å; K113-T116 PolarHBondContact O-OG1 3.43Å; K113-D117 PolarHBondContact O-N 2.95Å |
| 114 | E | 97.7 | Very high | 96.9 | Very high | 72 Ų | 72 | 96.9 Ų | 96.9 | 34% | 0.336 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 178.1 | -168.5 | 60.8 | -146.1 | 0 | 0 | 111.2 | W110 L111 T116 D117 M118 | W110-E114 HydrophobicContact CH2-CB 4.49Å; W110-E114 HydrophobicContact CH2-CG 4.23Å; W110-E114 HydrophobicContact CZ2-CB 4.31Å; W110-E114 HydrophobicContact CZ2-CG 4.1Å; W110-E114 WeakPolarHBondContact O-CB 3.38Å; W110-E114 PolarHBondContact O-N 3.26Å; L111-E114 PolarHBondContact O-N 3.47Å; E114-T116 VanDerWaalsContact C-N 3.33Å; E114-T116 PolarHBondContact O-N 2.67Å; E114-D117 PolarHBondContact O-N 3.03Å; E114-M118 WeakPolarHBondContact O-CG 3.44Å; E114-M118 PolarHBondContact O-N 2.88Å |
| 115 | L | 98.3 | Very high | 97.2 | Very high | 99 Ų | 99 | 96.2 Ų | 96.2 | 52% | 0.518 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.4 | -32.4 | 179.1 | -156.8 | 135.4 | 0 | 0 | 0 | 112.4 | L111 R112 K113 M118 R119 | L111-L115 HydrophobicContact CD2-CD1 4.41Å; L111-L115 VanDerWaalsContact O-CB 3.27Å; L111-L115 WeakPolarHBondContact O-CB 3.48Å; L111-L115 PolarHBondContact O-N 3.1Å; R112-L115 PolarHBondContact O-N 3.14Å; K113-L115 VanDerWaalsContact C-N 3.3Å; K113-L115 PolarHBondContact O-N 3.17Å; L115-M118 HydrophobicContact CG-CE 4.45Å; L115-R119 VanDerWaalsContact O-CB 3.27Å; L115-R119 WeakPolarHBondContact O-CB 3.27Å; L115-R119 PolarHBondContact O-N 3.37Å |
| 116 | T | 98.2 | Very high | 97.4 | Very high | 83 Ų | 83 | 93.4 Ų | 93.4 | 51% | 0.509 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.9 | -38.1 | 170.6 | 50.9 | 0 | 0 | 0 | 0 | 112.6 | R112 K113 E114 R119 L120 | R112-T116 WeakPolarHBondContact O-CG2 3.4Å; R112-T116 PolarHBondContact O-N 3.07Å; R112-T116 PolarHBondContact O-OG1 3.44Å; K113-T116 WeakPolarHBondContact CA-OG1 3.42Å; K113-T116 PolarHBondContact O-N 2.91Å; K113-T116 VanDerWaalsContact O-N 3.14Å; K113-T116 PolarHBondContact O-OG1 3.43Å; E114-T116 VanDerWaalsContact C-N 3.33Å; E114-T116 PolarHBondContact O-N 2.67Å; T116-R119 PolarHBondContact O-N 3.01Å; T116-L120 PolarHBondContact O-N 2.99Å |
| 117 | D | 98.3 | Very high | 97.6 | Very high | 63 Ų | 63 | 94.7 Ų | 94.7 | 34% | 0.337 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.3 | -45.2 | 179.2 | -73.3 | -11.7 | 0 | 0 | 0 | 110.9 | K113 E114 R119 L120 Q121 | K113-D117 PolarHBondContact O-N 2.95Å; E114-D117 PolarHBondContact O-N 3.03Å; D117-R119 VanDerWaalsContact C-N 3.33Å; D117-R119 PolarHBondContact O-N 3.31Å; D117-L120 WeakPolarHBondContact O-CB 3.39Å; D117-L120 PolarHBondContact O-N 3.13Å; D117-L120 VanDerWaalsContact O-N 3.13Å; D117-Q121 WeakPolarHBondContact O-CG 3.45Å; D117-Q121 PolarHBondContact O-N 3.41Å |
| 118 | M | 98.5 | Very high | 97.8 | Very high | 90 Ų | 90 | 98.9 Ų | 98.9 | 44% | 0.443 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.1 | -44.8 | 172.1 | -71.4 | -167 | -64.1 | 0 | 0 | 111.5 | E114 L115 L120 Q121 D122 | E114-M118 WeakPolarHBondContact O-CG 3.44Å; E114-M118 PolarHBondContact O-N 2.88Å; L115-M118 HydrophobicContact CG-CE 4.45Å; M118-L120 VanDerWaalsContact C-N 3.28Å; M118-L120 PolarHBondContact O-N 2.94Å; M118-Q121 PolarHBondContact O-N 3.39Å; M118-D122 PolarHBondContact O-N 2.85Å |
| 119 | R | 98.3 | Very high | 98 | Very high | 168 Ų | 168 | 100.8 Ų | 100.8 | 63% | 0.634 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.9 | -34.9 | 177.1 | -174.6 | 175.8 | 179.5 | 160 | 0.5 | 112.3 | L115 T116 D117 Q123 | L115-R119 VanDerWaalsContact O-CB 3.27Å; L115-R119 WeakPolarHBondContact O-CB 3.27Å; L115-R119 PolarHBondContact O-N 3.37Å; T116-R119 PolarHBondContact O-N 3.01Å; D117-R119 VanDerWaalsContact C-N 3.33Å; D117-R119 PolarHBondContact O-N 3.31Å; R119-Q123 VanDerWaalsContact O-CG 3.26Å; R119-Q123 WeakPolarHBondContact O-CG 3.49Å; R119-Q123 PolarHBondContact O-N 3.21Å |
| 120 | L | 98.3 | Very high | 98.1 | Very high | 84 Ų | 84 | 103.4 Ų | 103.4 | 44% | 0.44 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.3 | -43.7 | 175.8 | 179.8 | 63.2 | 0 | 0 | 0 | 111.2 | T116 D117 M118 Q123 Q124 | T116-L120 PolarHBondContact O-N 2.99Å; D117-L120 WeakPolarHBondContact O-CB 3.39Å; D117-L120 PolarHBondContact O-N 3.13Å; D117-L120 VanDerWaalsContact O-N 3.13Å; M118-L120 VanDerWaalsContact C-N 3.28Å; M118-L120 PolarHBondContact O-N 2.94Å; L120-Q123 PolarHBondContact O-N 3.34Å; L120-Q124 WeakPolarHBondContact O-CG 3.42Å; L120-Q124 PolarHBondContact O-N 3.42Å |
| 121 | Q | 98.5 | Very high | 98.2 | Very high | 109 Ų | 109 | 104.8 Ų | 104.8 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.5 | -47.6 | 176.5 | -68.3 | 175.3 | 27.5 | 0 | 0 | 111.3 | D117 M118 Q123 Q124 L125 | D117-Q121 WeakPolarHBondContact O-CG 3.45Å; D117-Q121 PolarHBondContact O-N 3.41Å; M118-Q121 PolarHBondContact O-N 3.39Å; Q121-Q123 VanDerWaalsContact C-N 3.29Å; Q121-Q123 PolarHBondContact O-N 3.25Å; Q121-Q124 WeakPolarHBondContact O-CB 3.42Å; Q121-Q124 PolarHBondContact O-N 3.18Å; Q121-L125 WeakPolarHBondContact O-CG 3.39Å; Q121-L125 PolarHBondContact O-N 3.38Å |
| 122 | D | 98.6 | Very high | 98.4 | Very high | 108 Ų | 108 | 105 Ų | 105 | 58% | 0.578 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.7 | -41.1 | 177.7 | -78.4 | -10 | 0 | 0 | 0 | 112.1 | M118 Q124 L125 A126 | M118-D122 PolarHBondContact O-N 2.85Å; D122-Q124 VanDerWaalsContact C-N 3.35Å; D122-Q124 PolarHBondContact O-N 2.95Å; D122-L125 PolarHBondContact O-N 3.49Å; D122-A126 VanDerWaalsContact O-CB 3.3Å; D122-A126 WeakPolarHBondContact O-CB 3.32Å; D122-A126 PolarHBondContact O-N 3.33Å |
| 123 | Q | 98.5 | Very high | 98.4 | Very high | 79 Ų | 79 | 106.7 Ų | 106.7 | 37% | 0.369 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.9 | -37.6 | 175.6 | -71.6 | 175.5 | 28.7 | 0 | 0 | 112.5 | R119 L120 Q121 R127 | R119-Q123 VanDerWaalsContact O-CG 3.26Å; R119-Q123 WeakPolarHBondContact O-CG 3.49Å; R119-Q123 PolarHBondContact O-N 3.21Å; L120-Q123 PolarHBondContact O-N 3.34Å; Q121-Q123 VanDerWaalsContact C-N 3.29Å; Q121-Q123 PolarHBondContact O-N 3.25Å; Q123-R127 VanDerWaalsContact CB-NH2 3.32Å; Q123-R127 WeakPolarHBondContact O-CG 3.26Å; Q123-R127 PolarHBondContact O-N 3.12Å; Q123-R127 VanDerWaalsContact O-N 3.07Å; Q123-R127 PolarHBondContact O-NE 3.36Å |
| 124 | Q | 98.4 | Very high | 98.4 | Very high | 99 Ų | 99 | 103 Ų | 103 | 46% | 0.463 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65 | -46.6 | 175.4 | -72.2 | 175.3 | -16 | 0 | 0 | 111 | L120 Q121 D122 A126 R127 Q128 | L120-Q124 WeakPolarHBondContact O-CG 3.42Å; L120-Q124 PolarHBondContact O-N 3.42Å; Q121-Q124 WeakPolarHBondContact O-CB 3.42Å; Q121-Q124 PolarHBondContact O-N 3.18Å; D122-Q124 VanDerWaalsContact C-N 3.35Å; D122-Q124 PolarHBondContact O-N 2.95Å; Q124-A126 PolarHBondContact O-N 3.22Å; Q124-R127 WeakPolarHBondContact O-CB 3.47Å; Q124-R127 PolarHBondContact O-N 3.5Å; Q124-Q128 WeakPolarHBondContact O-CG 3.3Å; Q124-Q128 PolarHBondContact O-N 3.01Å |
| 125 | L | 98.6 | Very high | 98.5 | Very high | 89 Ų | 89 | 103.6 Ų | 103.6 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 175.9 | -72.3 | 171.7 | 0 | 0 | 0 | 111.6 | Q121 D122 R127 Q128 L129 | Q121-L125 WeakPolarHBondContact O-CG 3.39Å; Q121-L125 PolarHBondContact O-N 3.38Å; D122-L125 PolarHBondContact O-N 3.49Å; L125-R127 VanDerWaalsContact C-N 3.3Å; L125-R127 PolarHBondContact O-N 3.2Å; L125-Q128 PolarHBondContact O-N 3.07Å; L125-Q128 VanDerWaalsContact O-N 3.12Å; L125-L129 WeakPolarHBondContact O-CG 3.47Å; L125-L129 PolarHBondContact O-N 3.35Å |
| 126 | A | 98.7 | Very high | 98.5 | Very high | 47 Ų | 47 | 103.7 Ų | 103.7 | 39% | 0.388 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58 | -43.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D122 Q124 Q128 L129 I130 | D122-A126 VanDerWaalsContact O-CB 3.3Å; D122-A126 WeakPolarHBondContact O-CB 3.32Å; D122-A126 PolarHBondContact O-N 3.33Å; Q124-A126 PolarHBondContact O-N 3.22Å; A126-Q128 PolarHBondContact O-N 2.86Å; A126-L129 PolarHBondContact O-N 2.89Å; A126-I130 VanDerWaalsContact O-CG1 3.26Å; A126-I130 WeakPolarHBondContact O-CG1 3.18Å; A126-I130 PolarHBondContact O-N 3.48Å |
| 127 | R | 98.5 | Very high | 98.5 | Very high | 108 Ų | 108 | 104.3 Ų | 104.3 | 41% | 0.408 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 175.2 | -75.8 | -179.9 | -77.5 | -106.1 | 1.8 | 112.2 | Q123 Q124 L125 R131 | Q123-R127 VanDerWaalsContact CB-NH2 3.32Å; Q123-R127 WeakPolarHBondContact O-CG 3.26Å; Q123-R127 PolarHBondContact O-N 3.12Å; Q123-R127 VanDerWaalsContact O-N 3.07Å; Q123-R127 PolarHBondContact O-NE 3.36Å; Q124-R127 WeakPolarHBondContact O-CB 3.47Å; Q124-R127 PolarHBondContact O-N 3.5Å; L125-R127 VanDerWaalsContact C-N 3.3Å; L125-R127 PolarHBondContact O-N 3.2Å; R127-R131 WeakPolarHBondContact O-CG 3.41Å; R127-R131 PolarHBondContact O-N 2.9Å |
| 128 | Q | 98.6 | Very high | 98.5 | Very high | 113 Ų | 113 | 104.7 Ų | 104.7 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 176.3 | -72.9 | -178.4 | -26.9 | 0 | 0 | 111.8 | Q124 L125 A126 I130 R131 L132 | Q124-Q128 WeakPolarHBondContact O-CG 3.3Å; Q124-Q128 PolarHBondContact O-N 3.01Å; L125-Q128 PolarHBondContact O-N 3.07Å; L125-Q128 VanDerWaalsContact O-N 3.12Å; A126-Q128 PolarHBondContact O-N 2.86Å; Q128-I130 VanDerWaalsContact C-N 3.34Å; Q128-I130 PolarHBondContact O-N 2.9Å; Q128-R131 PolarHBondContact O-N 3.06Å; Q128-L132 WeakPolarHBondContact O-CG 3.36Å; Q128-L132 PolarHBondContact O-N 3.5Å |
| 129 | L | 98.7 | Very high | 98.5 | Very high | 115 Ų | 115 | 105.5 Ų | 105.5 | 60% | 0.602 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.8 | -39.9 | 178.3 | -73.6 | 171.3 | 0 | 0 | 0 | 112.3 | L125 A126 R131 L132 R133 | L125-L129 WeakPolarHBondContact O-CG 3.47Å; L125-L129 PolarHBondContact O-N 3.35Å; A126-L129 PolarHBondContact O-N 2.89Å; L129-R131 VanDerWaalsContact C-N 3.34Å; L129-R131 PolarHBondContact O-N 3.27Å; L129-L132 PolarHBondContact O-N 3.42Å; L129-R133 VanDerWaalsContact O-CB 3.29Å; L129-R133 WeakPolarHBondContact O-CB 3.29Å; L129-R133 PolarHBondContact O-N 2.99Å |
| 130 | I | 98.4 | Very high | 98.6 | Very high | 120 Ų | 120 | 103.6 Ų | 103.6 | 62% | 0.615 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.6 | -43.4 | 175.4 | -69.7 | 165.6 | 0 | 0 | 0 | 110.8 | A126 Q128 R133 S134 | A126-I130 VanDerWaalsContact O-CG1 3.26Å; A126-I130 WeakPolarHBondContact O-CG1 3.18Å; A126-I130 PolarHBondContact O-N 3.48Å; Q128-I130 VanDerWaalsContact C-N 3.34Å; Q128-I130 PolarHBondContact O-N 2.9Å; I130-R133 PolarHBondContact O-N 2.88Å; I130-S134 PolarHBondContact O-N 2.73Å |
| 131 | R | 98.6 | Very high | 98.6 | Very high | 160 Ų | 160 | 103.9 Ų | 103.9 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.8 | -48.9 | 177 | -69 | 171.2 | -174.9 | 176.7 | 0.1 | 112.1 | R127 Q128 L129 R133 S134 D135 | R127-R131 WeakPolarHBondContact O-CG 3.41Å; R127-R131 PolarHBondContact O-N 2.9Å; Q128-R131 PolarHBondContact O-N 3.06Å; L129-R131 VanDerWaalsContact C-N 3.34Å; L129-R131 PolarHBondContact O-N 3.27Å; R131-R133 PolarHBondContact O-N 3.21Å; R131-S134 PolarHBondContact O-N 3.49Å; R131-S134 PolarHBondContact O-OG 3.19Å; R131-D135 PolarHBondContact O-N 3.44Å |
| 132 | L | 98.7 | Very high | 98.6 | Very high | 97 Ų | 97 | 103.3 Ų | 103.3 | 51% | 0.508 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.8 | -40 | 177.1 | -71.6 | 173.6 | 0 | 0 | 0 | 111.5 | Q128 L129 D135 I136 | Q128-L132 WeakPolarHBondContact O-CG 3.36Å; Q128-L132 PolarHBondContact O-N 3.5Å; L129-L132 PolarHBondContact O-N 3.42Å; L132-D135 PolarHBondContact O-N 2.91Å; L132-I136 WeakPolarHBondContact O-CB 3.42Å; L132-I136 WeakPolarHBondContact O-CD1 3.4Å; L132-I136 WeakPolarHBondContact O-CG1 3.26Å; L132-I136 PolarHBondContact O-N 3.06Å |
| 133 | R | 98.6 | Very high | 98.6 | Very high | 201 Ų | 201 | 104.6 Ų | 104.6 | 76% | 0.758 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.6 | -41.9 | 175.9 | -177.5 | -178 | 175 | -148.9 | -1.7 | 111.9 | L129 I130 R131 N137 | L129-R133 VanDerWaalsContact O-CB 3.29Å; L129-R133 WeakPolarHBondContact O-CB 3.29Å; L129-R133 PolarHBondContact O-N 2.99Å; I130-R133 PolarHBondContact O-N 2.88Å; R131-R133 PolarHBondContact O-N 3.21Å; R133-N137 WeakPolarHBondContact O-CB 3.35Å; R133-N137 PolarHBondContact O-N 3.45Å; R133-N137 VanDerWaalsContact O-N 3.11Å |
| 134 | S | 98.6 | Very high | 98.6 | Very high | 58 Ų | 58 | 105 Ų | 105 | 41% | 0.406 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 175.6 | 55.4 | 0 | 0 | 0 | 0 | 111.5 | I130 R131 I136 N137 T138 | I130-S134 PolarHBondContact O-N 2.73Å; R131-S134 PolarHBondContact O-N 3.49Å; R131-S134 PolarHBondContact O-OG 3.19Å; S134-I136 PolarHBondContact O-N 3.48Å; S134-N137 WeakPolarHBondContact O-CB 3.34Å; S134-N137 PolarHBondContact O-N 3.29Å; S134-N137 VanDerWaalsContact O-N 3.11Å; S134-T138 PolarHBondContact O-N 3.49Å; S134-T138 PolarHBondContact O-OG1 2.92Å; S134-T138 VanDerWaalsContact O-OG1 3.09Å |
| 135 | D | 98.7 | Very high | 98.5 | Very high | 86 Ų | 86 | 103.8 Ų | 103.8 | 46% | 0.46 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | -178.2 | -60.2 | -15.4 | 0 | 0 | 0 | 111 | R131 L132 N137 T138 L139 | R131-D135 PolarHBondContact O-N 3.44Å; L132-D135 PolarHBondContact O-N 2.91Å; D135-N137 VanDerWaalsContact C-N 3.28Å; D135-N137 PolarHBondContact O-N 3.44Å; D135-T138 PolarHBondContact O-N 2.93Å; D135-L139 WeakPolarHBondContact O-CB 3.25Å; D135-L139 WeakPolarHBondContact O-CG 3.41Å; D135-L139 PolarHBondContact O-N 2.93Å |
| 136 | I | 98.6 | Very high | 98.5 | Very high | 100 Ų | 100 | 105.6 Ų | 105.6 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.9 | -42.5 | 173.7 | -69.7 | 164.6 | 0 | 0 | 0 | 110.6 | L132 S134 L139 K140 | L132-I136 WeakPolarHBondContact O-CB 3.42Å; L132-I136 WeakPolarHBondContact O-CD1 3.4Å; L132-I136 WeakPolarHBondContact O-CG1 3.26Å; L132-I136 PolarHBondContact O-N 3.06Å; S134-I136 PolarHBondContact O-N 3.48Å; I136-L139 PolarHBondContact O-N 2.95Å; I136-K140 HydrophobicContact CG2-CD 3.99Å; I136-K140 HydrophobicContact CG2-CG 4.34Å; I136-K140 WeakPolarHBondContact O-CB 3.43Å; I136-K140 VanDerWaalsContact O-CG 3.25Å; I136-K140 WeakPolarHBondContact O-CG 3.44Å; I136-K140 PolarHBondContact O-N 3.09Å |
| 137 | N | 98.5 | Very high | 98.5 | Very high | 96 Ų | 96 | 108.5 Ų | 108.5 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.5 | -45.3 | 179.5 | -169.6 | 34.6 | 0 | 0 | 0 | 111.6 | R133 S134 D135 L139 K140 I141 | R133-N137 WeakPolarHBondContact O-CB 3.35Å; R133-N137 PolarHBondContact O-N 3.45Å; R133-N137 VanDerWaalsContact O-N 3.11Å; S134-N137 WeakPolarHBondContact O-CB 3.34Å; S134-N137 PolarHBondContact O-N 3.29Å; S134-N137 VanDerWaalsContact O-N 3.11Å; D135-N137 VanDerWaalsContact C-N 3.28Å; D135-N137 PolarHBondContact O-N 3.44Å; N137-L139 PolarHBondContact O-N 3.11Å; N137-K140 PolarHBondContact O-N 3.37Å; N137-I141 WeakPolarHBondContact O-CG1 3.49Å; N137-I141 PolarHBondContact O-N 3.38Å |
| 138 | T | 98.6 | Very high | 98.5 | Very high | 71 Ų | 71 | 108.7 Ų | 108.7 | 44% | 0.436 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -57.3 | -49.6 | 175.4 | -55 | 0 | 0 | 0 | 0 | 110.9 | S134 D135 K140 I141 E142 | S134-T138 PolarHBondContact O-N 3.49Å; S134-T138 PolarHBondContact O-OG1 2.92Å; S134-T138 VanDerWaalsContact O-OG1 3.09Å; D135-T138 PolarHBondContact O-N 2.93Å; T138-K140 VanDerWaalsContact C-N 3.32Å; T138-K140 PolarHBondContact O-N 3.33Å; T138-I141 PolarHBondContact O-N 3.02Å; T138-I141 VanDerWaalsContact O-N 3.14Å; T138-E142 WeakPolarHBondContact O-CG 3.46Å; T138-E142 PolarHBondContact O-N 3.24Å |
| 139 | L | 98.7 | Very high | 98.5 | Very high | 108 Ų | 108 | 111.2 Ų | 111.2 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.1 | -38.7 | 178.1 | -71.5 | 171.9 | 0 | 0 | 0 | 112.7 | D135 I136 N137 E142 Q143 | D135-L139 WeakPolarHBondContact O-CB 3.25Å; D135-L139 WeakPolarHBondContact O-CG 3.41Å; D135-L139 PolarHBondContact O-N 2.93Å; I136-L139 PolarHBondContact O-N 2.95Å; N137-L139 PolarHBondContact O-N 3.11Å; L139-E142 PolarHBondContact O-N 3.11Å; L139-Q143 WeakPolarHBondContact O-CB 3.49Å; L139-Q143 PolarHBondContact O-N 3.39Å |
| 140 | K | 98.7 | Very high | 98.5 | Very high | 128 Ų | 128 | 113.9 Ų | 113.9 | 56% | 0.557 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.6 | -41.3 | 175.8 | -74.9 | -178.5 | 79.7 | 178.1 | 0 | 111.5 | I136 N137 T138 Q143 T144 | I136-K140 HydrophobicContact CG2-CD 3.99Å; I136-K140 HydrophobicContact CG2-CG 4.34Å; I136-K140 WeakPolarHBondContact O-CB 3.43Å; I136-K140 VanDerWaalsContact O-CG 3.25Å; I136-K140 WeakPolarHBondContact O-CG 3.44Å; I136-K140 PolarHBondContact O-N 3.09Å; N137-K140 PolarHBondContact O-N 3.37Å; T138-K140 VanDerWaalsContact C-N 3.32Å; T138-K140 PolarHBondContact O-N 3.33Å; K140-Q143 PolarHBondContact O-N 3.25Å; K140-T144 WeakPolarHBondContact O-CG2 3.33Å; K140-T144 PolarHBondContact O-N 3.01Å; K140-T144 PolarHBondContact O-OG1 3.33Å |
| 141 | I | 98.6 | Very high | 98.4 | Very high | 90 Ų | 90 | 113.8 Ų | 113.8 | 46% | 0.462 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.7 | -50.6 | 175.1 | -67.2 | 165 | 0 | 0 | 0 | 109.3 | N137 T138 Q143 T144 C145 | N137-I141 WeakPolarHBondContact O-CG1 3.49Å; N137-I141 PolarHBondContact O-N 3.38Å; T138-I141 PolarHBondContact O-N 3.02Å; T138-I141 VanDerWaalsContact O-N 3.14Å; I141-Q143 VanDerWaalsContact C-N 3.33Å; I141-Q143 PolarHBondContact O-N 3.43Å; I141-T144 PolarHBondContact O-N 3.14Å; I141-T144 VanDerWaalsContact O-N 3.12Å; I141-T144 PolarHBondContact O-OG1 3.36Å; I141-C145 PolarHBondContact O-N 2.89Å; I141-C145 PolarHBondContact O-SG 2.87Å; I141-C145 VanDerWaalsContact O-SG 3.35Å |
| 142 | E | 98.4 | Very high | 98.4 | Very high | 96 Ų | 96 | 110.3 Ų | 110.3 | 45% | 0.449 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -55.5 | -45.8 | 177.1 | -72.7 | 178.4 | 173.9 | 0 | 0 | 112.2 | T138 L139 T144 C145 H146 | T138-E142 WeakPolarHBondContact O-CG 3.46Å; T138-E142 PolarHBondContact O-N 3.24Å; L139-E142 PolarHBondContact O-N 3.11Å; E142-T144 PolarHBondContact O-N 3.34Å; E142-C145 PolarHBondContact O-N 3.44Å; E142-H146 PolarHBondContact O-CD2 3.4Å; E142-H146 PolarHBondContact O-N 3.09Å |
| 143 | Q | 98.4 | Very high | 98.3 | Very high | 136 Ų | 136 | 110.1 Ų | 110.1 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.2 | -46.8 | 176.3 | -174.9 | -174.6 | 14.5 | 0 | 0 | 111.9 | L139 K140 I141 H146 L147 | L139-Q143 WeakPolarHBondContact O-CB 3.49Å; L139-Q143 PolarHBondContact O-N 3.39Å; K140-Q143 PolarHBondContact O-N 3.25Å; I141-Q143 VanDerWaalsContact C-N 3.33Å; I141-Q143 PolarHBondContact O-N 3.43Å; Q143-H146 PolarHBondContact O-N 3Å; Q143-L147 PolarHBondContact O-N 3.4Å |
| 144 | T | 98.1 | Very high | 98.2 | Very high | 86 Ų | 86 | 105.3 Ų | 105.3 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65 | -39.7 | 178 | 57.8 | 0 | 0 | 0 | 0 | 112.1 | K140 I141 E142 L147 H148 | K140-T144 WeakPolarHBondContact O-CG2 3.33Å; K140-T144 PolarHBondContact O-N 3.01Å; K140-T144 PolarHBondContact O-OG1 3.33Å; I141-T144 PolarHBondContact O-N 3.14Å; I141-T144 VanDerWaalsContact O-N 3.12Å; I141-T144 PolarHBondContact O-OG1 3.36Å; E142-T144 PolarHBondContact O-N 3.34Å; T144-L147 PolarHBondContact O-N 2.95Å; T144-H148 WeakPolarHBondContact O-CB 3.45Å; T144-H148 PolarHBondContact O-N 3.12Å |
| 145 | C | 98.3 | Very high | 98.1 | Very high | 75 Ų | 75 | 105.7 Ų | 105.7 | 51% | 0.507 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 173.8 | -68.5 | 0 | 0 | 0 | 0 | 111.9 | I141 E142 H148 R149 | I141-C145 PolarHBondContact O-N 2.89Å; I141-C145 PolarHBondContact O-SG 2.87Å; I141-C145 VanDerWaalsContact O-SG 3.35Å; E142-C145 PolarHBondContact O-N 3.44Å; C145-H148 PolarHBondContact O-N 3.35Å; C145-R149 WeakPolarHBondContact O-CB 3.37Å; C145-R149 PolarHBondContact O-N 2.89Å |
| 146 | H | 98.5 | Very high | 98 | Very high | 126 Ų | 126 | 105 Ų | 105 | 58% | 0.583 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.5 | -44 | 176.9 | -78.4 | -60 | 0 | 0 | 0 | 112.5 | E142 Q143 R149 R150 | E142-H146 PolarHBondContact O-CD2 3.4Å; E142-H146 PolarHBondContact O-N 3.09Å; Q143-H146 PolarHBondContact O-N 3Å; H146-R149 PolarHBondContact O-N 3.44Å; H146-R150 PolarHBondContact O-N 2.92Å |
| 147 | L | 98.2 | Very high | 97.7 | Very high | 109 Ų | 109 | 106.6 Ų | 106.6 | 57% | 0.571 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.3 | -47.6 | 175.8 | 179.5 | 63.3 | 0 | 0 | 0 | 110.9 | Q143 T144 R149 R150 M151 | Q143-L147 PolarHBondContact O-N 3.4Å; T144-L147 PolarHBondContact O-N 2.95Å; L147-R149 VanDerWaalsContact C-N 3.35Å; L147-R149 PolarHBondContact O-N 2.91Å; L147-R150 WeakPolarHBondContact O-CB 3.5Å; L147-R150 PolarHBondContact O-N 3.4Å; L147-M151 WeakPolarHBondContact O-CG 3.47Å; L147-M151 PolarHBondContact O-N 2.74Å |
| 148 | H | 98.4 | Very high | 97.4 | Very high | 111 Ų | 111 | 102.8 Ų | 102.8 | 51% | 0.514 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 178.4 | -178.1 | 58 | 0 | 0 | 0 | 111.8 | T144 C145 R150 M151 L152 | T144-H148 WeakPolarHBondContact O-CB 3.45Å; T144-H148 PolarHBondContact O-N 3.12Å; C145-H148 PolarHBondContact O-N 3.35Å; H148-R150 VanDerWaalsContact C-N 3.31Å; H148-R150 PolarHBondContact O-N 3.39Å; H148-M151 PolarHBondContact O-N 3.42Å; H148-L152 WeakPolarHBondContact NE2-CD1 3.43Å; H148-L152 WeakPolarHBondContact O-CG 3.45Å; H148-L152 PolarHBondContact O-N 2.97Å |
| 149 | R | 98.2 | Very high | 96.9 | Very high | 166 Ų | 166 | 105.5 Ų | 105.5 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.2 | -41.6 | 175.9 | -175.3 | 174.4 | -175.3 | 175.9 | 0.5 | 112.1 | C145 H146 L147 L152 N153 | C145-R149 WeakPolarHBondContact O-CB 3.37Å; C145-R149 PolarHBondContact O-N 2.89Å; H146-R149 PolarHBondContact O-N 3.44Å; L147-R149 VanDerWaalsContact C-N 3.35Å; L147-R149 PolarHBondContact O-N 2.91Å; R149-L152 PolarHBondContact O-N 3.44Å; R149-N153 WeakPolarHBondContact O-CB 3.45Å; R149-N153 PolarHBondContact O-N 3.46Å; R149-N153 PolarHBondContact O-OD1 3.2Å |
| 150 | R | 98 | Very high | 96.3 | Very high | 171 Ų | 171 | 105.2 Ų | 105.2 | 65% | 0.645 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.6 | -46.7 | 175.9 | -173.8 | 176.2 | -178.9 | 156.4 | 3 | 111.4 | H146 L147 H148 L152 N153 D154 | H146-R150 PolarHBondContact O-N 2.92Å; L147-R150 WeakPolarHBondContact O-CB 3.5Å; L147-R150 PolarHBondContact O-N 3.4Å; H148-R150 VanDerWaalsContact C-N 3.31Å; H148-R150 PolarHBondContact O-N 3.39Å; R150-L152 VanDerWaalsContact C-N 3.32Å; R150-L152 PolarHBondContact O-N 3.2Å; R150-N153 PolarHBondContact O-N 3.38Å; R150-D154 VanDerWaalsContact O-CG 3.24Å; R150-D154 PolarHBondContact O-N 3.22Å |
| 151 | M | 97.9 | Very high | 95.6 | Very high | 118 Ų | 118 | 104 Ų | 104 | 58% | 0.581 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.7 | -40.6 | 177.4 | -68.6 | -178.2 | 67.8 | 0 | 0 | 112.6 | L147 H148 D154 A155 | L147-M151 WeakPolarHBondContact O-CG 3.47Å; L147-M151 PolarHBondContact O-N 2.74Å; H148-M151 PolarHBondContact O-N 3.42Å; M151-D154 PolarHBondContact O-N 2.91Å; M151-A155 WeakPolarHBondContact O-CB 3.4Å; M151-A155 PolarHBondContact O-N 3.26Å |
| 152 | L | 97.9 | Very high | 94.6 | Very high | 88 Ų | 88 | 106 Ų | 106 | 46% | 0.461 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 174.8 | -72.3 | 178.1 | 0 | 0 | 0 | 111.2 | H148 R149 R150 D154 A155 T156 | H148-L152 WeakPolarHBondContact NE2-CD1 3.43Å; H148-L152 WeakPolarHBondContact O-CG 3.45Å; H148-L152 PolarHBondContact O-N 2.97Å; R149-L152 PolarHBondContact O-N 3.44Å; R150-L152 VanDerWaalsContact C-N 3.32Å; R150-L152 PolarHBondContact O-N 3.2Å; L152-D154 VanDerWaalsContact C-N 3.34Å; L152-D154 PolarHBondContact O-N 3.21Å; L152-A155 PolarHBondContact O-N 3.24Å; L152-T156 PolarHBondContact O-N 2.94Å; L152-T156 PolarHBondContact O-OG1 3.28Å |
| 153 | N | 97.2 | Very high | 93.7 | Very high | 92 Ų | 92 | 106.2 Ų | 106.2 | 49% | 0.492 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 177.3 | -68.5 | -10.9 | 0 | 0 | 0 | 112 | R149 R150 A155 T156 F157 | R149-N153 WeakPolarHBondContact O-CB 3.45Å; R149-N153 PolarHBondContact O-N 3.46Å; R149-N153 PolarHBondContact O-OD1 3.2Å; R150-N153 PolarHBondContact O-N 3.38Å; N153-A155 VanDerWaalsContact C-N 3.31Å; N153-A155 PolarHBondContact O-N 3.02Å; N153-T156 PolarHBondContact O-N 3.03Å; N153-F157 WeakPolarHBondContact O-CB 3.36Å; N153-F157 PolarHBondContact O-N 3.46Å |
| 154 | D | 96.6 | Very high | 92.8 | Very high | 100 Ų | 100 | 106.2 Ų | 106.2 | 54% | 0.535 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62 | -41.2 | 177.4 | -66.7 | -16.8 | 0 | 0 | 0 | 110.8 | R150 M151 L152 G158 | R150-D154 VanDerWaalsContact O-CG 3.24Å; R150-D154 PolarHBondContact O-N 3.22Å; M151-D154 PolarHBondContact O-N 2.91Å; L152-D154 VanDerWaalsContact C-N 3.34Å; L152-D154 PolarHBondContact O-N 3.21Å; D154-G158 PolarHBondContact O-N 2.9Å |
| 155 | A | 96.6 | Very high | 91.6 | Very high | 67 Ų | 67 | 106.4 Ų | 106.4 | 55% | 0.554 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.2 | -40.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M151 L152 N153 G158 L159 | M151-A155 WeakPolarHBondContact O-CB 3.4Å; M151-A155 PolarHBondContact O-N 3.26Å; L152-A155 PolarHBondContact O-N 3.24Å; N153-A155 VanDerWaalsContact C-N 3.31Å; N153-A155 PolarHBondContact O-N 3.02Å; A155-G158 PolarHBondContact O-N 3.39Å; A155-L159 PolarHBondContact O-N 3.01Å; A155-L159 VanDerWaalsContact O-N 3.1Å |
| 156 | T | 94.7 | Very high | 90.3 | Very high | 70 Ų | 70 | 105.7 Ų | 105.7 | 43% | 0.429 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.5 | -49.1 | 175.6 | -60.3 | 0 | 0 | 0 | 0 | 111 | L152 N153 G158 L159 E160 | L152-T156 PolarHBondContact O-N 2.94Å; L152-T156 PolarHBondContact O-OG1 3.28Å; N153-T156 PolarHBondContact O-N 3.03Å; T156-G158 VanDerWaalsContact C-N 3.32Å; T156-G158 PolarHBondContact O-N 3.46Å; T156-L159 WeakPolarHBondContact O-CB 3.42Å; T156-L159 PolarHBondContact O-N 2.86Å; T156-E160 PolarHBondContact O-N 2.88Å |
| 157 | F | 93.7 | Very high | 88.9 | Confident | 135 Ų | 135 | 104.6 Ų | 104.6 | 59% | 0.592 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.4 | -43.6 | 177.2 | -178 | -97.1 | 0 | 0 | 0 | 111.8 | N153 L159 E160 E161 | N153-F157 WeakPolarHBondContact O-CB 3.36Å; N153-F157 PolarHBondContact O-N 3.46Å; F157-L159 PolarHBondContact O-N 2.81Å; F157-E160 PolarHBondContact O-N 3.01Å; F157-E161 PolarHBondContact O-N 3.1Å |
| 158 | G | 90.9 | Very high | 87.4 | Confident | 16 Ų | 16 | 105.7 Ų | 105.7 | 17% | 0.165 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -68.3 | -15 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D154 A155 T156 K162 | D154-G158 PolarHBondContact O-N 2.9Å; A155-G158 PolarHBondContact O-N 3.39Å; T156-G158 VanDerWaalsContact C-N 3.32Å; T156-G158 PolarHBondContact O-N 3.46Å; G158-K162 WeakPolarHBondContact O-CG 3.34Å; G158-K162 PolarHBondContact O-NZ 2.97Å |
| 159 | L | 88.6 | Confident | 85.6 | Confident | 127 Ų | 127 | 107 Ų | 107 | 67% | 0.665 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -84.3 | -46.6 | 170.3 | -169.8 | 104 | 0 | 0 | 0 | 110.3 | A155 T156 F157 E161 K162 D163 | A155-L159 PolarHBondContact O-N 3.01Å; A155-L159 VanDerWaalsContact O-N 3.1Å; T156-L159 WeakPolarHBondContact O-CB 3.42Å; T156-L159 PolarHBondContact O-N 2.86Å; F157-L159 PolarHBondContact O-N 2.81Å; L159-E161 VanDerWaalsContact C-N 3.34Å; L159-E161 PolarHBondContact O-N 3.09Å; L159-K162 PolarHBondContact O-N 3.43Å; L159-K162 VanDerWaalsContact O-N 3.1Å; L159-D163 PolarHBondContact O-N 2.88Å |
| 160 | E | 87.3 | Confident | 83.7 | Confident | 102 Ų | 102 | 103.7 Ų | 103.7 | 48% | 0.477 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -56.7 | -45.6 | 176.1 | -70.2 | 170.7 | 179.3 | 0 | 0 | 111.2 | T156 F157 K162 D163 E164 | T156-E160 PolarHBondContact O-N 2.88Å; F157-E160 PolarHBondContact O-N 3.01Å; E160-K162 VanDerWaalsContact C-N 3.28Å; E160-K162 PolarHBondContact O-N 3.37Å; E160-D163 WeakPolarHBondContact O-CB 3.42Å; E160-D163 PolarHBondContact O-N 3.04Å; E160-D163 VanDerWaalsContact O-N 3.11Å; E160-E164 WeakPolarHBondContact O-CG 3.47Å; E160-E164 PolarHBondContact O-N 3.45Å |
| 161 | E | 83.4 | Confident | 81.5 | Confident | 102 Ų | 102 | 103.7 Ų | 103.7 | 48% | 0.477 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.2 | -37.8 | 176.2 | -174.5 | -174.6 | -175 | 0 | 0 | 112.2 | F157 L159 L165 | F157-E161 PolarHBondContact O-N 3.1Å; L159-E161 VanDerWaalsContact C-N 3.34Å; L159-E161 PolarHBondContact O-N 3.09Å; E161-L165 HydrophobicContact CG-CD1 4.21Å; E161-L165 WeakPolarHBondContact O-CB 3.15Å; E161-L165 WeakPolarHBondContact O-CD1 3.36Å; E161-L165 WeakPolarHBondContact O-CG 3.49Å; E161-L165 PolarHBondContact O-N 2.7Å |
| 162 | K | 76.5 | Confident | 79.3 | Confident | 134 Ų | 134 | 102.5 Ų | 102.5 | 58% | 0.583 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -72.8 | -34.9 | 177.2 | -71.5 | -175.5 | -170.3 | 73.1 | 0 | 112.4 | G158 L159 E160 S166 | G158-K162 WeakPolarHBondContact O-CG 3.34Å; G158-K162 PolarHBondContact O-NZ 2.97Å; L159-K162 PolarHBondContact O-N 3.43Å; L159-K162 VanDerWaalsContact O-N 3.1Å; E160-K162 VanDerWaalsContact C-N 3.28Å; E160-K162 PolarHBondContact O-N 3.37Å; K162-S166 VanDerWaalsContact O-CB 3.29Å; K162-S166 WeakPolarHBondContact O-CB 3.43Å; K162-S166 PolarHBondContact O-N 3.09Å; K162-S166 PolarHBondContact O-OG 3.32Å |
| 163 | D | 79.6 | Confident | 77 | Confident | 100 Ų | 100 | 103 Ų | 103 | 54% | 0.535 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.5 | -49.5 | 176.6 | -161.4 | 48 | 0 | 0 | 0 | 110.1 | L159 E160 L165 S166 D167 | L159-D163 PolarHBondContact O-N 2.88Å; E160-D163 WeakPolarHBondContact O-CB 3.42Å; E160-D163 PolarHBondContact O-N 3.04Å; E160-D163 VanDerWaalsContact O-N 3.11Å; D163-L165 PolarHBondContact O-N 3.01Å; D163-S166 CarbonylContact O-C 3.57Å; D163-S166 WeakPolarHBondContact O-CA 3.29Å; D163-S166 WeakPolarHBondContact O-CB 3.18Å; D163-S166 PolarHBondContact O-N 2.94Å; D163-D167 PolarHBondContact O-N 3.21Å |
| 164 | E | 80.1 | Confident | 75 | Confident | 135 Ų | 135 | 105.3 Ų | 105.3 | 63% | 0.631 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.2 | -42 | 175.1 | -69.5 | -177.9 | 173.6 | 0 | 0 | 112.4 | E160 S166 D167 L168 | E160-E164 WeakPolarHBondContact O-CG 3.47Å; E160-E164 PolarHBondContact O-N 3.45Å; E164-S166 VanDerWaalsContact C-N 3.32Å; E164-D167 PolarHBondContact O-N 3.11Å; E164-L168 WeakPolarHBondContact O-CG 3.48Å; E164-L168 PolarHBondContact O-N 3.28Å; E164-L168 VanDerWaalsContact O-N 3.09Å |
| 165 | L | 72.8 | Confident | 72.9 | Confident | 91 Ų | 91 | 104.6 Ų | 104.6 | 48% | 0.476 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.3 | -33.1 | 174.3 | -72.4 | 172.9 | 0 | 0 | 0 | 112.6 | E161 D163 L169 | E161-L165 HydrophobicContact CG-CD1 4.21Å; E161-L165 WeakPolarHBondContact O-CB 3.15Å; E161-L165 WeakPolarHBondContact O-CD1 3.36Å; E161-L165 WeakPolarHBondContact O-CG 3.49Å; E161-L165 PolarHBondContact O-N 2.7Å; D163-L165 PolarHBondContact O-N 3.01Å; L165-L169 WeakPolarHBondContact O-CB 3.48Å; L165-L169 WeakPolarHBondContact O-CG 3.45Å; L165-L169 PolarHBondContact O-N 2.92Å; L165-L169 VanDerWaalsContact O-N 3.09Å |
| 166 | S | 71.4 | Confident | 70.7 | Confident | 59 Ų | 59 | 107.2 Ų | 107.2 | 41% | 0.413 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.6 | -38.8 | 176 | -62.7 | 0 | 0 | 0 | 0 | 111.1 | K162 D163 E164 L169 C170 | K162-S166 VanDerWaalsContact O-CB 3.29Å; K162-S166 WeakPolarHBondContact O-CB 3.43Å; K162-S166 PolarHBondContact O-N 3.09Å; K162-S166 PolarHBondContact O-OG 3.32Å; D163-S166 CarbonylContact O-C 3.57Å; D163-S166 WeakPolarHBondContact O-CA 3.29Å; D163-S166 WeakPolarHBondContact O-CB 3.18Å; D163-S166 PolarHBondContact O-N 2.94Å; E164-S166 VanDerWaalsContact C-N 3.32Å; S166-L169 CarbonylContact O-C 3.55Å; S166-L169 PolarHBondContact O-N 2.87Å; S166-C170 WeakPolarHBondContact O-CB 3.4Å; S166-C170 PolarHBondContact O-N 3.21Å; S166-C170 PolarHBondContact O-SG 3.1Å |
| 167 | D | 68.3 | Low | 68.9 | Low | 104 Ų | 104 | 105.4 Ų | 105.4 | 56% | 0.556 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.8 | -41.9 | 173.4 | -84.2 | -7 | 0 | 0 | 0 | 111.8 | D163 E164 L169 C170 E171 | D163-D167 PolarHBondContact O-N 3.21Å; E164-D167 PolarHBondContact O-N 3.11Å; D167-L169 VanDerWaalsContact C-N 3.3Å; D167-L169 PolarHBondContact O-N 3.39Å; D167-C170 PolarHBondContact O-N 2.81Å; D167-E171 PolarHBondContact O-N 3.22Å |
| 168 | L | 67.4 | Low | 67 | Low | 131 Ų | 131 | 107 Ų | 107 | 69% | 0.686 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.8 | -30.8 | 173.9 | -69.1 | 172.3 | 0 | 0 | 0 | 113.3 | E164 | E164-L168 WeakPolarHBondContact O-CG 3.48Å; E164-L168 PolarHBondContact O-N 3.28Å; E164-L168 VanDerWaalsContact O-N 3.09Å |
| 169 | L | 60.9 | Low | 65.5 | Low | 138 Ų | 138 | 108.3 Ų | 108.3 | 72% | 0.723 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -84.2 | -21.7 | 175.2 | -78.9 | 162 | 0 | 0 | 0 | 113 | L165 S166 D167 | L165-L169 WeakPolarHBondContact O-CB 3.48Å; L165-L169 WeakPolarHBondContact O-CG 3.45Å; L165-L169 PolarHBondContact O-N 2.92Å; L165-L169 VanDerWaalsContact O-N 3.09Å; S166-L169 CarbonylContact O-C 3.55Å; S166-L169 PolarHBondContact O-N 2.87Å; D167-L169 VanDerWaalsContact C-N 3.3Å; D167-L169 PolarHBondContact O-N 3.39Å |
| 170 | C | 58 | Low | 64 | Low | 98 Ų | 98 | 104.3 Ų | 104.3 | 66% | 0.662 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -85.6 | -8.6 | 179.9 | -80.5 | 0 | 0 | 0 | 0 | 114.2 | S166 D167 C172 | S166-C170 WeakPolarHBondContact O-CB 3.4Å; S166-C170 PolarHBondContact O-N 3.21Å; S166-C170 PolarHBondContact O-SG 3.1Å; D167-C170 PolarHBondContact O-N 2.81Å; C170-C172 PolarHBondContact O-N 2.58Å |
| 171 | E | 51.9 | Low | 62.5 | Low | 170 Ų | 170 | 103 Ų | 103 | 79% | 0.794 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 3.7 | 169.3 | -79.3 | -167.5 | 167.3 | 0 | 0 | 114.2 | D167 P173 | D167-E171 PolarHBondContact O-N 3.22Å; E171-P173 WeakPolarHBondContact O-CD 3.39Å |
| 172 | C | 52.2 | Low | 61.3 | Low | 94 Ų | 94 | 101.5 Ų | 101.5 | 64% | 0.635 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -77.2 | 115.6 | 162.2 | -142.5 | 0 | 0 | 0 | 0 | 106.5 | C170 V174 | C170-C172 PolarHBondContact O-N 2.58Å; C172-V174 PolarHBondContact O-N 3.01Å |
| 173 | P | 48.7 | Very low | 60.6 | Low | 98 Ų | 98 | 99.1 Ų | 99.1 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | trans | -54.1 | 127.6 | 174.6 | 23.8 | -29.8 | 0 | 0 | 0 | 105 | E171 T175 | E171-P173 WeakPolarHBondContact O-CD 3.39Å; P173-T175 PolarHBondContact O-N 3.45Å | ||
| 174 | V | 55.7 | Low | 59.9 | Low | 140 Ų | 140 | 97.1 Ų | 97.1 | 85% | 0.848 | 58% | 0.582 | S | S | * | * | trans | -51.9 | 88.5 | 166.3 | -80.7 | 0 | 0 | 0 | 0 | 106.1 | C172 P176 | C172-V174 PolarHBondContact O-N 3.01Å; V174-P176 WeakPolarHBondContact O-CD 3.27Å | ||
| 175 | T | 52.4 | Low | 59 | Low | 86 Ų | 86 | 97.7 Ų | 97.7 | 53% | 0.528 | 58% | 0.578 | S | S | . | * | trans | -59.6 | 119.3 | 172.1 | 29.9 | 0 | 0 | 0 | 0 | 102 | P173 G177 | P173-T175 PolarHBondContact O-N 3.45Å; T175-G177 PolarHBondContact O-N 3.4Å | ||
| 176 | P | 51.3 | Low | 58.4 | Low | 122 Ų | 122 | 101 Ų | 101 | 79% | 0.792 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 47.5 | -173.2 | 30.3 | -33.1 | 0 | 0 | 0 | 109.9 | V174 R185 | V174-P176 WeakPolarHBondContact O-CD 3.27Å; P176-R185 PolarHBondContact O-NH1 3.39Å |
| 177 | G | 55.3 | Low | 58.1 | Low | 31 Ų | 31 | 104 Ų | 104 | 32% | 0.32 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -145.1 | -12.8 | -159.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | T175 G179 | T175-G177 PolarHBondContact O-N 3.4Å; G177-G179 PolarHBondContact O-N 3.03Å |
| 178 | L | 54.3 | Low | 57.9 | Low | 168 Ų | 168 | 101.6 Ų | 101.6 | 88% | 0.88 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 26.7 | 175.7 | -67.1 | 175.2 | 0 | 0 | 0 | 113.5 | ||
| 179 | G | 59 | Low | 58 | Low | 45 Ų | 45 | 97 Ų | 97 | 46% | 0.464 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.5 | -32.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | G177 K191 | G177-G179 PolarHBondContact O-N 3.03Å; G179-K191 WeakPolarHBondContact O-CE 3.44Å |
| 180 | L | 56.6 | Low | 58.4 | Low | 43 Ų | 43 | 93.3 Ų | 93.3 | 23% | 0.225 | 56% | 0.564 | C | S | . | * | S | Bend | trans | -160.9 | 143.6 | 179.4 | -70.2 | 178.6 | 0 | 0 | 0 | 108 | A182 L184 I189 K191 | L180-A182 PolarHBondContact O-N 3.42Å; L180-L184 HydrophobicContact CB-CB 4.48Å; L180-L184 HydrophobicContact CD2-CD1 4.34Å; L180-I189 WeakPolarHBondContact CD1-O 3.18Å; L180-K191 HydrophobicContact CD1-CG 4.5Å; L180-K191 HydrophobicContact CD2-CG 3.89Å; L180-K191 HydrophobicContact CG-CG 4.23Å |
| 181 | S | 57.5 | Low | 58.9 | Low | 75 Ų | 75 | 95.2 Ų | 95.2 | 52% | 0.524 | 56% | 0.561 | S | S | . | * | trans | -51.7 | 138.8 | 175.6 | 61.6 | 0 | 0 | 0 | 0 | 110 | P183 L184 | S181-P183 VanDerWaalsContact O-CD 3.27Å; S181-P183 WeakPolarHBondContact O-CD 3.39Å; S181-L184 PolarHBondContact O-N 3.03Å | ||
| 182 | A | 57.7 | Low | 59.6 | Low | 70 Ų | 70 | 94.4 Ų | 94.4 | 58% | 0.579 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -44.2 | -32.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116 | L180 L184 | L180-A182 PolarHBondContact O-N 3.42Å; A182-L184 PolarHBondContact O-N 3.34Å |
| 183 | P | 62.2 | Low | 60.3 | Low | 83 Ų | 83 | 91.3 Ų | 91.3 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.2 | -38.7 | 176.8 | -22.8 | 33.3 | 0 | 0 | 0 | 114.8 | S181 R185 L186 | S181-P183 VanDerWaalsContact O-CD 3.27Å; S181-P183 WeakPolarHBondContact O-CD 3.39Å; P183-R185 VanDerWaalsContact C-N 3.35Å; P183-R185 PolarHBondContact O-N 2.68Å; P183-L186 PolarHBondContact O-N 3.48Å |
| 184 | L | 63.5 | Low | 61.2 | Low | 58 Ų | 58 | 91 Ų | 91 | 30% | 0.304 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72.4 | -32.7 | -174 | -65.7 | 177.3 | 0 | 0 | 0 | 112.1 | L180 S181 A182 I187 G188 I189 | L180-L184 HydrophobicContact CB-CB 4.48Å; L180-L184 HydrophobicContact CD2-CD1 4.34Å; S181-L184 PolarHBondContact O-N 3.03Å; A182-L184 PolarHBondContact O-N 3.34Å; L184-I187 PolarHBondContact O-N 3.43Å; L184-G188 PolarHBondContact O-N 3.45Å; L184-I189 HydrophobicContact CB-CB 4.31Å; L184-I189 HydrophobicContact CD2-CD1 4.21Å; L184-I189 WeakPolarHBondContact O-CB 3.19Å; L184-I189 PolarHBondContact O-N 3.48Å |
| 185 | R | 62.1 | Low | 61.5 | Low | 147 Ų | 147 | 91.2 Ų | 91.2 | 56% | 0.555 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71.4 | -32.3 | 179.1 | -164.7 | 174.8 | 51.6 | 150.6 | 4.1 | 112.3 | P176 P183 I187 G188 | P176-R185 PolarHBondContact O-NH1 3.39Å; P183-R185 VanDerWaalsContact C-N 3.35Å; P183-R185 PolarHBondContact O-N 2.68Å; R185-I187 PolarHBondContact O-N 2.92Å; R185-G188 PolarHBondContact O-N 3.47Å; R185-G188 VanDerWaalsContact O-N 3.11Å |
| 186 | L | 60.4 | Low | 62.2 | Low | 161 Ų | 161 | 90 Ų | 90 | 84% | 0.843 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.7 | -27 | 174.7 | -168.7 | 65.4 | 0 | 0 | 0 | 112.3 | P183 G188 | P183-L186 PolarHBondContact O-N 3.48Å; L186-G188 VanDerWaalsContact C-N 3.31Å |
| 187 | I | 64.2 | Low | 62.9 | Low | 123 Ų | 123 | 94.8 Ų | 94.8 | 63% | 0.631 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 4.9 | 176.8 | -55.6 | 165.4 | 0 | 0 | 0 | 110.9 | L184 R185 I189 | L184-I187 PolarHBondContact O-N 3.43Å; R185-I187 PolarHBondContact O-N 2.92Å; I187-I189 VanDerWaalsContact C-N 3.26Å; I187-I189 HydrophobicContact CB-CD1 4.28Å; I187-I189 HydrophobicContact CB-CG1 4.32Å; I187-I189 HydrophobicContact CG2-CD1 3.94Å; I187-I189 HydrophobicContact CG2-CG1 4.12Å; I187-I189 PolarHBondContact O-N 3.31Å |
| 188 | G | 65.3 | Low | 63.3 | Low | 52 Ų | 52 | 102.7 Ų | 102.7 | 54% | 0.536 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 10.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L184 R185 L186 T190 | L184-G188 PolarHBondContact O-N 3.45Å; R185-G188 PolarHBondContact O-N 3.47Å; R185-G188 VanDerWaalsContact O-N 3.11Å; L186-G188 VanDerWaalsContact C-N 3.31Å; G188-T190 PolarHBondContact O-N 3.13Å |
| 189 | I | 68.4 | Low | 63.5 | Low | 34 Ų | 34 | 102.5 Ų | 102.5 | 17% | 0.174 | 54% | 0.535 | C | S | . | . | trans | -83.8 | 118.8 | -178.8 | -55.9 | 172.9 | 0 | 0 | 0 | 108.9 | L180 L184 I187 I194 | L180-I189 WeakPolarHBondContact CD1-O 3.18Å; L184-I189 HydrophobicContact CB-CB 4.31Å; L184-I189 HydrophobicContact CD2-CD1 4.21Å; L184-I189 WeakPolarHBondContact O-CB 3.19Å; L184-I189 PolarHBondContact O-N 3.48Å; I187-I189 VanDerWaalsContact C-N 3.26Å; I187-I189 HydrophobicContact CB-CD1 4.28Å; I187-I189 HydrophobicContact CB-CG1 4.32Å; I187-I189 HydrophobicContact CG2-CD1 3.94Å; I187-I189 HydrophobicContact CG2-CG1 4.12Å; I187-I189 PolarHBondContact O-N 3.31Å; I189-I194 HydrophobicContact CG2-CD1 3.71Å; I189-I194 HydrophobicContact CG2-CG1 3.57Å | ||
| 190 | T | 70.3 | Confident | 63.5 | Low | 62 Ų | 62 | 105.5 Ų | 105.5 | 38% | 0.38 | 55% | 0.548 | S | S | . | . | trans | -114.6 | 162.1 | 174.2 | 63.8 | 0 | 0 | 0 | 0 | 110.7 | G188 M192 N193 I194 | G188-T190 PolarHBondContact O-N 3.13Å; T190-M192 PolarHBondContact O-N 3.24Å; T190-M192 VanDerWaalsContact O-N 3.13Å; T190-N193 WeakPolarHBondContact O-CB 3.42Å; T190-N193 PolarHBondContact O-N 3.18Å; T190-I194 PolarHBondContact O-N 2.9Å | ||
| 191 | K | 68.7 | Low | 63.3 | Low | 137 Ų | 137 | 111.2 Ų | 111.2 | 60% | 0.596 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -54.6 | -33.3 | 176 | -84.4 | -168.8 | 175 | 178.9 | 0 | 112 | G179 L180 N195 | G179-K191 WeakPolarHBondContact O-CE 3.44Å; L180-K191 HydrophobicContact CD1-CG 4.5Å; L180-K191 HydrophobicContact CD2-CG 3.89Å; L180-K191 HydrophobicContact CG-CG 4.23Å; K191-N195 PolarHBondContact O-N 3.11Å |
| 192 | M | 66.2 | Low | 62.5 | Low | 153 Ų | 153 | 117.4 Ų | 117.4 | 75% | 0.754 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.9 | -35.6 | 176 | -171.2 | 172.7 | 66.4 | 0 | 0 | 112.6 | T190 S196 | T190-M192 PolarHBondContact O-N 3.24Å; T190-M192 VanDerWaalsContact O-N 3.13Å; M192-S196 WeakPolarHBondContact O-CB 3.45Å; M192-S196 PolarHBondContact O-N 3.17Å; M192-S196 PolarHBondContact O-OG 3.39Å |
| 193 | N | 65.5 | Low | 62.8 | Low | 30 Ų | 30 | 119.8 Ų | 119.8 | 16% | 0.16 | 62% | 0.621 | C | S | . | * | H | α-helix | trans | -75.1 | -40.3 | -179.7 | -157 | -82.5 | 0 | 0 | 0 | 112.3 | T190 S196 R197 R198 | T190-N193 WeakPolarHBondContact O-CB 3.42Å; T190-N193 PolarHBondContact O-N 3.18Å; N193-S196 PolarHBondContact O-N 3.42Å; N193-S196 PolarHBondContact O-OG 2.71Å; N193-R197 PolarHBondContact O-N 3.39Å; N193-R197 VanDerWaalsContact O-N 3.17Å; N193-R198 PolarHBondContact ND2-O 3.28Å; N193-R198 PolarHBondContact OD1-O 3.11Å; N193-R198 VanDerWaalsContact OD1-O 3.11Å |
| 194 | I | 68.2 | Low | 62.8 | Low | 90 Ų | 90 | 121.7 Ų | 121.7 | 46% | 0.462 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.2 | -46.5 | 177.5 | -64.9 | 169.9 | 0 | 0 | 0 | 111.1 | I189 T190 S196 R197 | I189-I194 HydrophobicContact CG2-CD1 3.71Å; I189-I194 HydrophobicContact CG2-CG1 3.57Å; T190-I194 PolarHBondContact O-N 2.9Å; I194-S196 VanDerWaalsContact C-N 3.26Å; I194-S196 PolarHBondContact O-N 3.07Å; I194-R197 PolarHBondContact O-N 3.4Å |
| 195 | N | 63.4 | Low | 62.7 | Low | 145 Ų | 145 | 125.2 Ų | 125.2 | 78% | 0.775 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -70.4 | -22.2 | -177.4 | -75.4 | -9.1 | 0 | 0 | 0 | 113.4 | K191 | K191-N195 PolarHBondContact O-N 3.11Å |
| 196 | S | 65.1 | Low | 62.8 | Low | 61 Ų | 61 | 123.9 Ų | 123.9 | 43% | 0.427 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -100.2 | -1.3 | -180 | 59.4 | 0 | 0 | 0 | 0 | 114.3 | M192 N193 I194 R198 | M192-S196 WeakPolarHBondContact O-CB 3.45Å; M192-S196 PolarHBondContact O-N 3.17Å; M192-S196 PolarHBondContact O-OG 3.39Å; N193-S196 PolarHBondContact O-N 3.42Å; N193-S196 PolarHBondContact O-OG 2.71Å; I194-S196 VanDerWaalsContact C-N 3.26Å; I194-S196 PolarHBondContact O-N 3.07Å; S196-R198 WeakPolarHBondContact O-CG 3.45Å; S196-R198 PolarHBondContact O-N 3.39Å |
| 197 | R | 66.8 | Low | 62.9 | Low | 222 Ų | 222 | 121.6 Ų | 121.6 | 84% | 0.838 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 47.9 | 33 | -179.2 | -61.2 | -176.5 | 177.7 | -125.2 | 1.6 | 113.9 | N193 I194 | N193-R197 PolarHBondContact O-N 3.39Å; N193-R197 VanDerWaalsContact O-N 3.17Å; I194-R197 PolarHBondContact O-N 3.4Å |
| 198 | R | 64.5 | Low | 62.8 | Low | 198 Ų | 198 | 121.5 Ų | 121.5 | 75% | 0.747 | 64% | 0.637 | S | S | * | * | trans | -116 | 87.3 | -177.3 | -80.6 | 177.1 | 168.1 | -121.7 | -1.7 | 109.9 | N193 S196 S200 | N193-R198 PolarHBondContact ND2-O 3.28Å; N193-R198 PolarHBondContact OD1-O 3.11Å; N193-R198 VanDerWaalsContact OD1-O 3.11Å; S196-R198 WeakPolarHBondContact O-CG 3.45Å; S196-R198 PolarHBondContact O-N 3.39Å; R198-S200 PolarHBondContact O-N 2.89Å | ||
| 199 | F | 57.6 | Low | 62.7 | Low | 163 Ų | 163 | 126.5 Ų | 126.5 | 72% | 0.715 | 64% | 0.644 | S | S | * | * | trans | -69.5 | 113.8 | 165.3 | -57.5 | -78.5 | 0 | 0 | 0 | 108.1 | ||||
| 200 | S | 58.5 | Low | 62.2 | Low | 108 Ų | 108 | 133.6 Ų | 133.6 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | trans | -91 | 109.7 | 162.9 | 55.5 | 0 | 0 | 0 | 0 | 107.3 | R198 | R198-S200 PolarHBondContact O-N 2.89Š| ||
| 201 | L | 53.9 | Low | 61.6 | Low | 163 Ų | 163 | 139.6 Ų | 139.6 | 85% | 0.853 | 71% | 0.706 | S | S | * | * | trans | -84.9 | 139.1 | 169.2 | -70.8 | 166.5 | 0 | 0 | 0 | 108.9 | ||||
| 202 | C | 40.5 | Very low | 60.9 | Low | 205 Ų | 205 | 139.8 Ų | 139.8 | 100% | 1.385 | 72% | 0.716 | S | S | * | * | trans | -82 | 0 | 153.5 | -65.7 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 202 of 202 residues in 34.4 ms
(Link to these results)