| 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 | 42.9 | Very low | 70.8 | Confident | 230 Ų | 230 | 128.7 Ų | 128.7 | 100% | 1.133 | 66% | 0.664 | S | S | * | * | 0 | 121.9 | 0 | -69.3 | 171 | 173.7 | 0 | 0 | 107.2 | |||||
| 2 | S | 49.4 | Very low | 71.4 | Confident | 127 Ų | 127 | 132.2 Ų | 132.2 | 89% | 0.888 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 131.4 | -177.8 | -156.5 | 0 | 0 | 0 | 0 | 109.8 | ||
| 3 | W | 62.9 | Low | 72 | Confident | 236 Ų | 236 | 125.1 Ų | 125.1 | 89% | 0.894 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 138.5 | -179.1 | -70.1 | 50.2 | 0 | 0 | 0 | 109.2 | ||
| 4 | L | 68.1 | Low | 71.9 | Confident | 112 Ų | 112 | 129.6 Ų | 129.6 | 59% | 0.586 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 138.3 | 178.9 | -72 | 163.8 | 0 | 0 | 0 | 110.5 | Q8 | L4-Q8 HydrophobicContact CB-CB 4.19Å; L4-Q8 HydrophobicContact CD2-CB 3.98Å |
| 5 | S | 79.9 | Confident | 72 | Confident | 65 Ų | 65 | 125.3 Ų | 125.3 | 46% | 0.455 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 146.7 | 169.5 | 167.2 | 0 | 0 | 0 | 0 | 110.4 | V7 Q8 W9 | S5-V7 PolarHBondContact O-N 2.83Å; S5-Q8 WeakPolarHBondContact O-CA 3.38Å; S5-Q8 WeakPolarHBondContact O-CB 3.26Å; S5-Q8 PolarHBondContact O-N 2.95Å; S5-W9 PolarHBondContact O-N 2.8Å |
| 6 | P | 77.4 | Confident | 72.1 | Confident | 107 Ų | 107 | 121.8 Ų | 121.8 | 70% | 0.695 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -50.5 | -35.8 | -179.4 | -29.9 | 35.9 | 0 | 0 | 0 | 114.4 | W9 A10 | P6-W9 PolarHBondContact O-N 2.61Å; P6-A10 WeakPolarHBondContact O-CB 3.38Å; P6-A10 PolarHBondContact O-N 3.03Å |
| 7 | V | 77.4 | Confident | 71.9 | Confident | 99 Ų | 99 | 121.7 Ų | 121.7 | 60% | 0.6 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.6 | -36.2 | 176.6 | -177.4 | 0 | 0 | 0 | 0 | 112 | S5 K11 | S5-V7 PolarHBondContact O-N 2.83Å; V7-K11 PolarHBondContact O-N 3.14Å |
| 8 | Q | 79 | Confident | 71.6 | Confident | 99 Ų | 99 | 119.7 Ų | 119.7 | 46% | 0.463 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -73 | -36.4 | 176.3 | -62.8 | -65.4 | -43.6 | 0 | 0 | 111.3 | L4 S5 K11 W12 | L4-Q8 HydrophobicContact CB-CB 4.19Å; L4-Q8 HydrophobicContact CD2-CB 3.98Å; S5-Q8 WeakPolarHBondContact O-CA 3.38Å; S5-Q8 WeakPolarHBondContact O-CB 3.26Å; S5-Q8 PolarHBondContact O-N 2.95Å; Q8-K11 PolarHBondContact O-N 2.82Å; Q8-W12 WeakPolarHBondContact O-CB 3.28Å; Q8-W12 PolarHBondContact O-N 2.76Å |
| 9 | W | 85 | Confident | 71 | Confident | 158 Ų | 158 | 117.2 Ų | 117.2 | 60% | 0.598 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.5 | -46.6 | 172 | -170.8 | 86.9 | 0 | 0 | 0 | 111.3 | S5 P6 K11 W12 T13 | S5-W9 PolarHBondContact O-N 2.8Å; P6-W9 PolarHBondContact O-N 2.61Å; W9-K11 PolarHBondContact O-N 3.14Å; W9-W12 PolarHBondContact O-N 3.3Å; W9-T13 HydrophobicContact CD2-CG2 3.96Å; W9-T13 HydrophobicContact CE3-CG2 4.04Å; W9-T13 HydrophobicContact CH2-CG2 3.84Å; W9-T13 HydrophobicContact CZ2-CG2 3.73Å; W9-T13 HydrophobicContact CZ3-CG2 3.99Å; W9-T13 PolarHBondContact O-N 2.96Å; W9-T13 PolarHBondContact O-OG1 3.47Å |
| 10 | A | 80.9 | Confident | 69.6 | Low | 49 Ų | 49 | 113.5 Ų | 113.5 | 41% | 0.405 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -61.5 | -42.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | P6 W12 T13 W14 | P6-A10 WeakPolarHBondContact O-CB 3.38Å; P6-A10 PolarHBondContact O-N 3.03Å; A10-W12 VanDerWaalsContact C-N 3.34Å; A10-W12 PolarHBondContact O-N 3.11Å; A10-T13 PolarHBondContact O-OG1 3.12Å; A10-T13 VanDerWaalsContact O-OG1 3.08Å; A10-W14 WeakPolarHBondContact O-CB 3.43Å; A10-W14 PolarHBondContact O-N 2.98Å |
| 11 | K | 75.7 | Confident | 68.3 | Low | 134 Ų | 134 | 113.3 Ų | 113.3 | 58% | 0.583 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -61.8 | -41.2 | 172.7 | -95.4 | -170.2 | 62.1 | 158.3 | 0 | 112.2 | V7 Q8 W9 S15 | V7-K11 PolarHBondContact O-N 3.14Å; Q8-K11 PolarHBondContact O-N 2.82Å; W9-K11 PolarHBondContact O-N 3.14Å; K11-S15 WeakPolarHBondContact O-CB 3.42Å; K11-S15 PolarHBondContact O-N 3.25Å |
| 12 | W | 78.7 | Confident | 68.3 | Low | 170 Ų | 170 | 106.2 Ų | 106.2 | 64% | 0.644 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.6 | -45.2 | -179.4 | -172.8 | 84.5 | 0 | 0 | 0 | 112.1 | Q8 W9 A10 W14 S15 A16 | Q8-W12 WeakPolarHBondContact O-CB 3.28Å; Q8-W12 PolarHBondContact O-N 2.76Å; W9-W12 PolarHBondContact O-N 3.3Å; A10-W12 VanDerWaalsContact C-N 3.34Å; A10-W12 PolarHBondContact O-N 3.11Å; W12-W14 VanDerWaalsContact C-N 3.34Å; W12-W14 PolarHBondContact O-N 3.48Å; W12-S15 PolarHBondContact O-N 2.87Å; W12-A16 WeakPolarHBondContact O-CB 3.41Å; W12-A16 PolarHBondContact O-N 2.97Å |
| 13 | T | 78.5 | Confident | 67.7 | Low | 40 Ų | 40 | 107.7 Ų | 107.7 | 25% | 0.245 | 62% | 0.616 | C | S | . | * | H | α-helix | trans | -64.4 | -37.7 | 176.8 | 51.7 | 0 | 0 | 0 | 0 | 112.4 | W9 A10 V17 | W9-T13 HydrophobicContact CD2-CG2 3.96Å; W9-T13 HydrophobicContact CE3-CG2 4.04Å; W9-T13 HydrophobicContact CH2-CG2 3.84Å; W9-T13 HydrophobicContact CZ2-CG2 3.73Å; W9-T13 HydrophobicContact CZ3-CG2 3.99Å; W9-T13 PolarHBondContact O-N 2.96Å; W9-T13 PolarHBondContact O-OG1 3.47Å; A10-T13 PolarHBondContact O-OG1 3.12Å; A10-T13 VanDerWaalsContact O-OG1 3.08Å; T13-V17 WeakPolarHBondContact O-CB 3.33Å; T13-V17 PolarHBondContact O-N 3.42Å; T13-V17 VanDerWaalsContact O-N 3.11Å |
| 14 | W | 71 | Confident | 66.7 | Low | 188 Ų | 188 | 103.8 Ų | 103.8 | 71% | 0.712 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.3 | -48.1 | 175 | -157.4 | -90.3 | 0 | 0 | 0 | 111.8 | A10 W12 A16 V17 T18 | A10-W14 WeakPolarHBondContact O-CB 3.43Å; A10-W14 PolarHBondContact O-N 2.98Å; W12-W14 VanDerWaalsContact C-N 3.34Å; W12-W14 PolarHBondContact O-N 3.48Å; W14-A16 VanDerWaalsContact C-N 3.27Å; W14-A16 PolarHBondContact O-N 3.37Å; W14-V17 PolarHBondContact O-N 2.99Å; W14-V17 VanDerWaalsContact O-N 3.09Å; W14-T18 PolarHBondContact O-N 3.32Å; W14-T18 PolarHBondContact O-OG1 2.97Å |
| 15 | S | 73.1 | Confident | 65.2 | Low | 65 Ų | 65 | 101.7 Ų | 101.7 | 46% | 0.455 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -64.5 | -30.2 | 179.5 | -153.7 | 0 | 0 | 0 | 0 | 113.1 | K11 W12 G19 | K11-S15 WeakPolarHBondContact O-CB 3.42Å; K11-S15 PolarHBondContact O-N 3.25Å; W12-S15 PolarHBondContact O-N 2.87Å; S15-G19 PolarHBondContact O-N 3.46Å |
| 16 | A | 73.1 | Confident | 62.9 | Low | 69 Ų | 69 | 107.7 Ų | 107.7 | 57% | 0.57 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -75.1 | -28.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | W12 W14 | W12-A16 WeakPolarHBondContact O-CB 3.41Å; W12-A16 PolarHBondContact O-N 2.97Å; W14-A16 VanDerWaalsContact C-N 3.27Å; W14-A16 PolarHBondContact O-N 3.37Å |
| 17 | V | 69.4 | Low | 61 | Low | 121 Ų | 121 | 111.4 Ų | 111.4 | 73% | 0.733 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -79.7 | -36.5 | 177.3 | 152.4 | 0 | 0 | 0 | 0 | 112.5 | T13 W14 | T13-V17 WeakPolarHBondContact O-CB 3.33Å; T13-V17 PolarHBondContact O-N 3.42Å; T13-V17 VanDerWaalsContact O-N 3.11Å; W14-V17 PolarHBondContact O-N 2.99Å; W14-V17 VanDerWaalsContact O-N 3.09Å |
| 18 | T | 66.4 | Low | 58.9 | Low | 85 Ų | 85 | 113 Ų | 113 | 52% | 0.521 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -96.4 | -5.9 | -173.1 | 64.5 | 0 | 0 | 0 | 0 | 115.2 | W14 G20 | W14-T18 PolarHBondContact O-N 3.32Å; W14-T18 PolarHBondContact O-OG1 2.97Å; T18-G20 PolarHBondContact O-N 3.03Å |
| 19 | G | 59.5 | Low | 56.7 | Low | 73 Ų | 73 | 112 Ų | 112 | 75% | 0.753 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.1 | 47.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S15 | S15-G19 PolarHBondContact O-N 3.46Š|
| 20 | G | 44.3 | Very low | 54.4 | Low | 43 Ų | 43 | 114.8 Ų | 114.8 | 44% | 0.443 | 68% | 0.684 | S | S | . | * | trans | -112.3 | 128.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | T18 | T18-G20 PolarHBondContact O-N 3.03Š| ||
| 21 | A | 40.8 | Very low | 52.2 | Low | 109 Ų | 109 | 117.7 Ų | 117.7 | 90% | 0.901 | 69% | 0.693 | S | S | * | * | trans | -63.7 | 143.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 22 | G | 44.6 | Very low | 50.4 | Low | 82 Ų | 82 | 118.3 Ų | 118.3 | 85% | 0.845 | 70% | 0.702 | S | S | * | * | trans | -77.7 | 130.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 23 | D | 35.8 | Very low | 48.5 | Very low | 157 Ų | 157 | 118 Ų | 118 | 84% | 0.84 | 71% | 0.705 | S | S | * | * | trans | -124.6 | 145.8 | 150.9 | -169.4 | 14.8 | 0 | 0 | 0 | 108.6 | ||||
| 24 | N | 42.3 | Very low | 46.8 | Very low | 154 Ų | 154 | 123.5 Ų | 123.5 | 82% | 0.824 | 73% | 0.728 | S | S | * | * | trans | -149.4 | 84.6 | -161.8 | -148.9 | 38.7 | 0 | 0 | 0 | 110.6 | ||||
| 25 | G | 35.4 | Very low | 45.3 | Very low | 68 Ų | 68 | 122.7 Ų | 122.7 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | trans | 176 | 154 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 26 | Q | 31.9 | Very low | 43.7 | Very low | 192 Ų | 192 | 127.5 Ų | 127.5 | 90% | 0.897 | 76% | 0.758 | S | S | * | * | cis | -157 | 147.4 | -13.7 | -178.3 | 161.6 | -13.1 | 0 | 0 | 109.2 | ||||
| 27 | H | 37.8 | Very low | 42.3 | Very low | 184 Ų | 184 | 129.9 Ų | 129.9 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | trans | -85.6 | 125.8 | 177.9 | -106.4 | -84.7 | 0 | 0 | 0 | 112.7 | ||||
| 28 | T | 33.3 | Very low | 41.2 | Very low | 132 Ų | 132 | 131.8 Ų | 131.8 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -163.6 | 117 | 148.4 | 44.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 29 | G | 32.7 | Very low | 40.2 | Very low | 78 Ų | 78 | 133.4 Ų | 133.4 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | 81.4 | 139.9 | 89.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 30 | R | 36.1 | Very low | 39.7 | Very low | 218 Ų | 218 | 139.4 Ų | 139.4 | 82% | 0.823 | 80% | 0.801 | S | S | * | * | cis | -170.7 | 160.7 | 0.1 | -158.9 | -165.9 | 154.5 | 155.4 | -2.2 | 108.6 | ||||
| 31 | D | 35.3 | Very low | 39.6 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 59% | 0.588 | 82% | 0.818 | S | S | * | * | trans | 70.1 | 133.8 | 159.2 | -56.3 | -32.5 | 0 | 0 | 0 | 121.8 | ||||
| 32 | D | 38.3 | Very low | 39.9 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | trans | 73.6 | 100.8 | 138.5 | -66.6 | -7.9 | 0 | 0 | 0 | 124.7 | ||||
| 33 | K | 38.2 | Very low | 39.5 | Very low | 162 Ų | 162 | 146.6 Ų | 146.6 | 70% | 0.704 | 82% | 0.817 | S | S | * | * | 107.7 | 118.8 | 105.4 | -165.2 | 168 | -172.3 | 177 | 0 | 119.7 | |||||
| 34 | E | 43.7 | Very low | 39.8 | Very low | 157 Ų | 157 | 147.9 Ų | 147.9 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | trans | 37.3 | 110.4 | 150 | -62.8 | 160.5 | -163.4 | 0 | 0 | 119.3 | ||||
| 35 | D | 38.3 | Very low | 40 | Very low | 170 Ų | 170 | 146.6 Ų | 146.6 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -148.2 | 133.3 | 132.6 | -103.2 | -35.7 | 0 | 0 | 0 | 110.5 | ||||
| 36 | N | 41.2 | Very low | 40.5 | Very low | 166 Ų | 166 | 149.1 Ų | 149.1 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | trans | -81.4 | 134.9 | 174.6 | -82.4 | -32.5 | 0 | 0 | 0 | 109.9 | ||||
| 37 | S | 43.2 | Very low | 40.9 | Very low | 119 Ų | 119 | 149.1 Ų | 149.1 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -159.3 | 118.8 | 151.4 | -148.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 38 | D | 45.8 | Very low | 41 | Very low | 161 Ų | 161 | 145.1 Ų | 145.1 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -68.9 | 137.3 | 165.5 | -80.3 | -49.4 | 0 | 0 | 0 | 110.3 | ||||
| 39 | S | 46.2 | Very low | 41.2 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | trans | -159.9 | 129.7 | 150.7 | -81.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 40 | E | 49.1 | Very low | 41.2 | Very low | 199 Ų | 199 | 149.4 Ų | 149.4 | 93% | 0.93 | 82% | 0.82 | S | S | * | * | trans | -68.3 | 146.1 | -178.2 | -62.9 | 177.8 | 105.9 | 0 | 0 | 112 | ||||
| 41 | G | 42.4 | Very low | 41.4 | Very low | 79 Ų | 79 | 144.6 Ų | 144.6 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | trans | -82.4 | 125.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 42 | A | 45.4 | Very low | 41.2 | Very low | 98 Ų | 98 | 145.4 Ų | 145.4 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | trans | -127 | 94.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 43 | F | 36.7 | Very low | 41.1 | Very low | 207 Ų | 207 | 145 Ų | 145 | 91% | 0.908 | 83% | 0.828 | S | S | * | * | trans | -94.3 | 97.5 | 170.3 | -103.7 | -90.3 | 0 | 0 | 0 | 108.9 | ||||
| 44 | E | 41.7 | Very low | 41 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | trans | -68.3 | 137.8 | 166 | -77.4 | -177.3 | 132.3 | 0 | 0 | 110.2 | ||||
| 45 | T | 46.4 | Very low | 40.7 | Very low | 127 Ų | 127 | 142 Ų | 142 | 78% | 0.779 | 83% | 0.829 | S | S | * | * | trans | -95.4 | 122.2 | 177.3 | -55.5 | 0 | 0 | 0 | 0 | 108.5 | E47 | T45-E47 PolarHBondContact O-N 3.23Š| ||
| 46 | P | 47.3 | Very low | 40.5 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 78% | 0.779 | 83% | 0.826 | S | S | * | * | trans | -77.8 | 108.6 | 173.1 | 28.4 | -29 | 0 | 0 | 0 | 110 | ||||
| 47 | E | 40 | Very low | 40.1 | Very low | 193 Ų | 193 | 141.2 Ų | 141.2 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 133.4 | 163.7 | -81.7 | -170.8 | 101.1 | 0 | 0 | 110 | T45 | T45-E47 PolarHBondContact O-N 3.23Š|
| 48 | A | 40.3 | Very low | 39.5 | Very low | 99 Ų | 99 | 140 Ų | 140 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 118.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | S50 | A48-S50 PolarHBondContact O-N 3.5Š|
| 49 | E | 36 | Very low | 38.8 | Very low | 197 Ų | 197 | 140.5 Ų | 140.5 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 132.6 | 177.1 | -65.2 | -177.2 | 128.8 | 0 | 0 | 111.9 | ||
| 50 | S | 34.4 | Very low | 38 | Very low | 103 Ų | 103 | 142.7 Ų | 142.7 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | trans | -110 | 120.6 | 164.3 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | A48 V52 | A48-S50 PolarHBondContact O-N 3.5Å; S50-V52 PolarHBondContact O-N 2.67Å | ||
| 51 | P | 39.8 | Very low | 37.3 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | trans | -72.1 | 113.1 | -171.5 | 26.9 | -33.6 | 0 | 0 | 0 | 112 | ||||
| 52 | V | 30.7 | Very low | 36.8 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | trans | -80 | 115.6 | 169.6 | 175.1 | 0 | 0 | 0 | 0 | 109.5 | S50 V54 | S50-V52 PolarHBondContact O-N 2.67Å; V52-V54 HydrophobicContact CG1-CG2 4.26Å; V52-V54 PolarHBondContact O-N 3.26Å | ||
| 53 | V | 35.8 | Very low | 36.3 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -75.7 | 103.8 | 170.3 | 178.1 | 0 | 0 | 0 | 0 | 109 | N55 | V53-N55 PolarHBondContact O-N 2.94Š| ||
| 54 | V | 36.4 | Very low | 36 | Very low | 111 Ų | 111 | 142 Ų | 142 | 67% | 0.673 | 80% | 0.801 | S | S | * | * | trans | -78.8 | 118 | 175.2 | 177.9 | 0 | 0 | 0 | 0 | 110 | V52 L56 | V52-V54 HydrophobicContact CG1-CG2 4.26Å; V52-V54 PolarHBondContact O-N 3.26Å; V54-L56 HydrophobicContact CG1-CD1 4.24Å | ||
| 55 | N | 38 | Very low | 35.6 | Very low | 145 Ų | 145 | 140.6 Ų | 140.6 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | -88.6 | 111 | 170.3 | -170.6 | 7.9 | 0 | 0 | 0 | 108.7 | V53 | V53-N55 PolarHBondContact O-N 2.94Š| ||
| 56 | L | 33.1 | Very low | 34.8 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | -107.2 | 109.4 | 175.8 | -142.7 | 80.9 | 0 | 0 | 0 | 110.5 | V54 | V54-L56 HydrophobicContact CG1-CD1 4.24Š| ||
| 57 | L | 33.5 | Very low | 33.9 | Very low | 157 Ų | 157 | 141.5 Ų | 141.5 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -100.8 | 136.7 | 178 | -173.4 | 79.3 | 0 | 0 | 0 | 110.1 | ||||
| 58 | S | 31.1 | Very low | 33.3 | Very low | 94 Ų | 94 | 137.3 Ų | 137.3 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | trans | 129.1 | 141.9 | 167.8 | -70 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 59 | Q | 30.5 | Very low | 32.8 | Very low | 170 Ų | 170 | 138.8 Ų | 138.8 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | cis | -163.9 | 143.7 | -3.1 | -111.6 | 161.7 | 64.2 | 0 | 0 | 106.2 | ||||
| 60 | L | 30.1 | Very low | 32.4 | Very low | 166 Ų | 166 | 136.9 Ų | 136.9 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | 160.8 | 96.9 | 139.7 | -89.3 | 160.5 | 0 | 0 | 0 | 109.6 | ||||
| 61 | D | 33.1 | Very low | 32.2 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | -107.1 | 128.5 | 158.7 | -166.2 | -0.2 | 0 | 0 | 0 | 106.7 | ||||
| 62 | N | 32.5 | Very low | 31.9 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | -171.7 | 99.3 | 170.1 | -101.8 | -34.2 | 0 | 0 | 0 | 110 | ||||
| 63 | S | 34.9 | Very low | 31.9 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -91.7 | 137 | 167.9 | -64.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 64 | N | 31.2 | Very low | 31.9 | Very low | 170 Ų | 170 | 134.8 Ų | 134.8 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | trans | -156 | 144.4 | 153.9 | -102.6 | -38.4 | 0 | 0 | 0 | 112.2 | ||||
| 65 | N | 32.2 | Very low | 31.8 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | -80.3 | 146.3 | -171.2 | -70 | -42.1 | 0 | 0 | 0 | 114.2 | ||||
| 66 | T | 29.2 | Very low | 31.7 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -160 | 109.7 | 140.8 | 32 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 67 | V | 29.7 | Very low | 31.5 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | 37.4 | 122.9 | 129.3 | 176.1 | 0 | 0 | 0 | 0 | 121 | |||||
| 68 | S | 26 | Very low | 31.4 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | 49.3 | 150.6 | 147.5 | -53.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 69 | T | 30 | Very low | 31.6 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | cis | -165.3 | 168.4 | 11.6 | -6 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 70 | D | 28 | Very low | 32 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | cis | -145.6 | 174.3 | -1.2 | -163.2 | 41.1 | 0 | 0 | 0 | 106.4 | ||||
| 71 | G | 31 | Very low | 32 | Very low | 53 Ų | 53 | 134.4 Ų | 134.4 | 55% | 0.546 | 75% | 0.753 | S | S | . | * | 140.1 | 168.7 | 58.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 72 | S | 32.5 | Very low | 32 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | trans | 70.6 | 80.6 | 172.8 | -160.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 73 | S | 31.7 | Very low | 31.8 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | trans | -9.1 | 144.1 | 132.2 | 55.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 74 | H | 34.5 | Very low | 31.6 | Very low | 172 Ų | 172 | 133.4 Ų | 133.4 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | -158.7 | 153.1 | 100.2 | -156.6 | 53.1 | 0 | 0 | 0 | 113.9 | |||||
| 75 | I | 34.7 | Very low | 31.4 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 65% | 0.651 | 74% | 0.74 | S | S | * | * | trans | -83.3 | 150.2 | 177.8 | -70.4 | 165.8 | 0 | 0 | 0 | 107.7 | ||||
| 76 | Q | 35.8 | Very low | 32.1 | Very low | 157 Ų | 157 | 127.8 Ų | 127.8 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | -179.5 | 131.5 | 84.8 | -144.8 | 134.2 | 43.7 | 0 | 0 | 106.8 | |||||
| 77 | D | 29.6 | Very low | 32.2 | Very low | 130 Ų | 130 | 126.2 Ų | 126.2 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | 49 | 122.8 | 88.6 | -141.2 | 14.1 | 0 | 0 | 0 | 111.5 | |||||
| 78 | R | 31.7 | Very low | 32.2 | Very low | 206 Ų | 206 | 128.3 Ų | 128.3 | 78% | 0.777 | 73% | 0.731 | S | S | * | * | -167.6 | 152.5 | 65.5 | -158.2 | 172.4 | -165.7 | -118.4 | -0.6 | 113.4 | |||||
| 79 | C | 35.4 | Very low | 32.3 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 70% | 0.696 | 73% | 0.734 | S | S | * | * | trans | -78.8 | -177.8 | 173.4 | -63.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 80 | H | 37.6 | Very low | 32.4 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | trans | 107.1 | 143 | 164.7 | -62.1 | -54.5 | 0 | 0 | 0 | 116.5 | ||||
| 81 | D | 30.1 | Very low | 32.6 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 70% | 0.695 | 73% | 0.725 | S | S | * | * | cis | -173.3 | 173.1 | -28.3 | -130.7 | -43.1 | 0 | 0 | 0 | 110.3 | ||||
| 82 | V | 33.8 | Very low | 32.7 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 64% | 0.642 | 73% | 0.729 | S | S | * | * | trans | 65.3 | 99.8 | 145.4 | 173.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 83 | H | 28.8 | Very low | 32.8 | Very low | 170 Ų | 170 | 133.3 Ų | 133.3 | 79% | 0.787 | 73% | 0.728 | S | S | * | * | 67.1 | 145.3 | 122.1 | -74.5 | -84 | 0 | 0 | 0 | 126.4 | |||||
| 84 | S | 29.7 | Very low | 33 | Very low | 103 Ų | 103 | 135.6 Ų | 135.6 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | trans | 84.9 | 96.8 | 144.6 | -65.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 85 | A | 28.3 | Very low | 33 | Very low | 94 Ų | 94 | 134.3 Ų | 134.3 | 78% | 0.777 | 73% | 0.731 | S | S | * | * | 40.2 | 157.5 | 100.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 86 | P | 46.5 | Very low | 32.8 | Very low | 112 Ų | 112 | 135 Ų | 135 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | cis | -140.1 | -172.5 | -8.9 | 38.6 | -18.2 | 0 | 0 | 0 | 116.3 | ||||
| 87 | S | 29.8 | Very low | 32.9 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | trans | 89.5 | 147.6 | 139.5 | -70 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 88 | Q | 30.2 | Very low | 32.8 | Very low | 172 Ų | 172 | 133.3 Ų | 133.3 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | 75.5 | 119.5 | 167 | -70.7 | 173.4 | -30.7 | 0 | 0 | 117.6 | ||||
| 89 | Q | 29.1 | Very low | 32.8 | Very low | 172 Ų | 172 | 128.8 Ų | 128.8 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | 56.5 | 123.6 | 75.7 | -96.6 | -170.7 | -20.5 | 0 | 0 | 111.4 | |||||
| 90 | V | 32.3 | Very low | 32.8 | Very low | 114 Ų | 114 | 130 Ų | 130 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | cis | -144.3 | 172 | 10.6 | -82.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 91 | D | 31.2 | Very low | 33.5 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | cis | -176.9 | 171.9 | 45.9 | -138.6 | -40.4 | 0 | 0 | 0 | 112.1 | ||||
| 92 | S | 33 | Very low | 33.6 | Very low | 92 Ų | 92 | 130 Ų | 130 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | trans | 65.2 | 94.9 | 150.4 | -71.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 93 | L | 34.6 | Very low | 33.6 | Very low | 150 Ų | 150 | 128.4 Ų | 128.4 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | 156.1 | 140.5 | 91.8 | -91.4 | 164.3 | 0 | 0 | 0 | 116.1 | |||||
| 94 | N | 36.4 | Very low | 33.6 | Very low | 151 Ų | 151 | 124.3 Ų | 124.3 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | trans | 67 | 121.5 | 159.3 | -65.6 | -11.3 | 0 | 0 | 0 | 120.6 | ||||
| 95 | N | 33.3 | Very low | 33.6 | Very low | 144 Ų | 144 | 124 Ų | 124 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | -150.9 | 161.5 | -179.8 | -156.3 | -6.3 | 0 | 0 | 0 | 108.7 | ||||
| 96 | L | 32.4 | Very low | 33.8 | Very low | 141 Ų | 141 | 129.1 Ų | 129.1 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | 70.7 | 114.9 | 174.8 | -52.5 | 171.6 | 0 | 0 | 0 | 114.3 | ||||
| 97 | T | 36.1 | Very low | 33.1 | Very low | 132 Ų | 132 | 126.9 Ų | 126.9 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | cis | 45.2 | 102.4 | 45.9 | 46.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 98 | S | 28.5 | Very low | 33.3 | Very low | 121 Ų | 121 | 130 Ų | 130 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | -146.6 | 153.9 | 163.2 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 99 | S | 31.8 | Very low | 33.7 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -95.5 | -171.2 | -162.5 | -38.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 100 | T | 34.8 | Very low | 34.3 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | 133.3 | 171.2 | 123.9 | -8.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 101 | P | 52.5 | Low | 34.3 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | -134.6 | 173.8 | -110.9 | 46.4 | -29.2 | 0 | 0 | 0 | 117.7 | |||||
| 102 | N | 33.1 | Very low | 34.5 | Very low | 170 Ų | 170 | 130.9 Ų | 130.9 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | 163.4 | 153.6 | 141.3 | -99.1 | -22.6 | 0 | 0 | 0 | 108.2 | ||||
| 103 | G | 32.2 | Very low | 34.5 | Very low | 72 Ų | 72 | 133.4 Ų | 133.4 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | cis | 148 | 113.5 | 2.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 104 | G | 28.9 | Very low | 34.3 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | trans | 179.6 | 93.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 105 | S | 31.6 | Very low | 34 | Very low | 96 Ų | 96 | 132.3 Ų | 132.3 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | trans | -77 | 149.2 | 171.2 | 178.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 106 | F | 31.9 | Very low | 33.9 | Very low | 202 Ų | 202 | 132.8 Ų | 132.8 | 89% | 0.886 | 79% | 0.789 | S | S | * | * | 159.9 | 136.6 | 122.5 | -85.1 | -64.7 | 0 | 0 | 0 | 110.5 | |||||
| 107 | G | 32.2 | Very low | 33.6 | Very low | 65 Ų | 65 | 130.1 Ų | 130.1 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | trans | -118.3 | 170.4 | 165 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 108 | L | 33.9 | Very low | 33.4 | Very low | 171 Ų | 171 | 128.8 Ų | 128.8 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | trans | -178.6 | 140.9 | 150.2 | -104.2 | 160.4 | 0 | 0 | 0 | 111.6 | ||||
| 109 | D | 36.9 | Very low | 33.5 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | trans | -59.8 | 148.1 | 167.1 | -59.2 | -93.5 | 0 | 0 | 0 | 112.7 | ||||
| 110 | Q | 42.3 | Very low | 33.4 | Very low | 174 Ų | 174 | 133 Ų | 133 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | -136.8 | 101 | 155.7 | -74.5 | -168.6 | 80.8 | 0 | 0 | 112.2 | ||||
| 111 | N | 32.3 | Very low | 33.1 | Very low | 150 Ų | 150 | 130.4 Ų | 130.4 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | -61 | 139 | 150.2 | -91.9 | -87.5 | 0 | 0 | 0 | 109.2 | ||||
| 112 | L | 35.8 | Very low | 32.1 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -121.9 | 89.1 | 164.7 | -77.5 | 175 | 0 | 0 | 0 | 110.5 | ||||
| 113 | N | 33.5 | Very low | 32 | Very low | 146 Ų | 146 | 126.8 Ų | 126.8 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | trans | -99.7 | 118.8 | 160.2 | -136.6 | -24.7 | 0 | 0 | 0 | 106 | ||||
| 114 | L | 30.7 | Very low | 32.1 | Very low | 158 Ų | 158 | 131.9 Ų | 131.9 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | trans | -141.9 | 112.4 | 173.7 | -107.6 | 171.7 | 0 | 0 | 0 | 112 | ||||
| 115 | T | 30 | Very low | 32.1 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | trans | -95.5 | 131 | 179.6 | -60 | 0 | 0 | 0 | 0 | 110 | ||||
| 116 | L | 29.9 | Very low | 32.3 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | trans | 47.4 | 113.8 | 150 | -154 | 76.4 | 0 | 0 | 0 | 119.6 | ||||
| 117 | G | 27.5 | Very low | 32.3 | Very low | 84 Ų | 84 | 133.9 Ų | 133.9 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | -125.9 | 108.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 118 | S | 31.7 | Very low | 32.1 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -93.7 | 137.7 | 177 | -61.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 119 | K | 29.6 | Very low | 31.9 | Very low | 217 Ų | 217 | 134.9 Ų | 134.9 | 94% | 0.943 | 82% | 0.818 | S | S | * | * | trans | -148.5 | 148.9 | 150.5 | -158.9 | 162.3 | -177.4 | 175.9 | 0 | 111 | ||||
| 120 | A | 29.8 | Very low | 31.6 | Very low | 104 Ų | 104 | 131.4 Ų | 131.4 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -116.6 | 170.9 | -157.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 121 | G | 28.4 | Very low | 31 | Very low | 73 Ų | 73 | 132 Ų | 132 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | 115 | 125.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 122 | S | 32.8 | Very low | 31.1 | Very low | 120 Ų | 120 | 132 Ų | 132 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | cis | -166.3 | 141.1 | 7.7 | 50.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 123 | G | 30.8 | Very low | 31.6 | Very low | 77 Ų | 77 | 129.6 Ų | 129.6 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | 66.5 | 151.4 | 153.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 124 | E | 32.8 | Very low | 31.5 | Very low | 179 Ų | 179 | 130.8 Ų | 130.8 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | cis | -146.6 | 146 | -5.7 | -77.1 | 173.2 | 123.5 | 0 | 0 | 109.5 | ||||
| 125 | D | 29.1 | Very low | 31.4 | Very low | 142 Ų | 142 | 129.7 Ų | 129.7 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | trans | 61.4 | 142.4 | 139.5 | -68.4 | 5.5 | 0 | 0 | 0 | 126.5 | ||||
| 126 | L | 36.3 | Very low | 31.6 | Very low | 166 Ų | 166 | 128.2 Ų | 128.2 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | trans | 97.2 | 99.2 | 155.8 | -52.1 | -164.6 | 0 | 0 | 0 | 120 | ||||
| 127 | S | 31.2 | Very low | 32.2 | Very low | 117 Ų | 117 | 125.9 Ų | 125.9 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -58.7 | 151.3 | 164.5 | -44.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 128 | S | 29.6 | Very low | 32.7 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | -156.3 | 150.7 | 126.4 | -92.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 129 | S | 29.6 | Very low | 33.5 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -90.6 | 162.3 | -175.8 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 130 | G | 30 | Very low | 34.2 | Very low | 66 Ų | 66 | 131.1 Ų | 131.1 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | trans | 149.2 | 85.3 | 151.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 131 | H | 30.1 | Very low | 34.7 | Very low | 188 Ų | 188 | 132 Ų | 132 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | trans | 65.4 | 129.2 | 131 | -130.9 | -88.6 | 0 | 0 | 0 | 122.4 | ||||
| 132 | L | 34.4 | Very low | 35.1 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | trans | -71.7 | -178.8 | 160.9 | -111.7 | 79.1 | 0 | 0 | 0 | 111.3 | ||||
| 133 | P | 45.4 | Very low | 35.2 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 65% | 0.649 | 81% | 0.811 | S | S | * | * | cis | -139.5 | 175.6 | 18.3 | 40 | -19.4 | 0 | 0 | 0 | 117.8 | ||||
| 134 | Q | 32 | Very low | 35.4 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | 35.7 | 124 | 149.6 | -68 | 179.8 | -0.7 | 0 | 0 | 121 | ||||
| 135 | T | 29.1 | Very low | 35.6 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | 179.4 | 157.1 | 101.2 | 28.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 136 | A | 33.3 | Very low | 36 | Very low | 88 Ų | 88 | 136.4 Ų | 136.4 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | 51.1 | 121.1 | 154.9 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 137 | A | 43.3 | Very low | 36.2 | Very low | 106 Ų | 106 | 133.1 Ų | 133.1 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | trans | -68.2 | 131 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 138 | L | 37.6 | Very low | 36.7 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | -119 | 124.9 | 172.2 | -73 | 175.4 | 0 | 0 | 0 | 111.6 | ||||
| 139 | R | 47.8 | Very low | 37.3 | Very low | 237 Ų | 237 | 134.9 Ų | 134.9 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -78 | 138.9 | 177 | -163.4 | -177.7 | -160.1 | 130.5 | -2.2 | 108.8 | ||
| 140 | P | 44.6 | Very low | 37.8 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 153.3 | 173.2 | 26.7 | -33.2 | 0 | 0 | 0 | 111.3 | ||
| 141 | P | 41.3 | Very low | 38.6 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 137.5 | -162.8 | 27.6 | -35.6 | 0 | 0 | 0 | 113.5 | L143 | P141-L143 PolarHBondContact O-N 3.36Š|
| 142 | S | 36.6 | Very low | 39.3 | Very low | 114 Ų | 114 | 139 Ų | 139 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 117.9 | 165.3 | 49.8 | 0 | 0 | 0 | 0 | 110.1 | ||
| 143 | L | 33.7 | Very low | 39.9 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 128.4 | 167.6 | -71.4 | 172.6 | 0 | 0 | 0 | 109.7 | P141 V145 | P141-L143 PolarHBondContact O-N 3.36Å; L143-V145 PolarHBondContact O-N 2.89Å |
| 144 | S | 35.2 | Very low | 40 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 119.4 | 179.5 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | L146 | S144-L146 PolarHBondContact O-N 3.44Š|
| 145 | V | 36.8 | Very low | 40.8 | Very low | 129 Ų | 129 | 136 Ų | 136 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | trans | -70.8 | 111.8 | 165.8 | 175.2 | 0 | 0 | 0 | 0 | 108.1 | L143 S147 | L143-V145 PolarHBondContact O-N 2.89Å; V145-S147 PolarHBondContact O-N 2.86Å | ||
| 146 | L | 38.8 | Very low | 41.6 | Very low | 161 Ų | 161 | 138.5 Ų | 138.5 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -75.2 | 110.8 | 165.5 | -76.3 | 173.1 | 0 | 0 | 0 | 108.8 | S144 P148 | S144-L146 PolarHBondContact O-N 3.44Å; L146-P148 WeakPolarHBondContact O-CD 3.48Å | ||
| 147 | S | 39.5 | Very low | 42.1 | Very low | 97 Ų | 97 | 140.1 Ų | 140.1 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | trans | -77.3 | 128.9 | 170.8 | -57.6 | 0 | 0 | 0 | 0 | 110.9 | V145 L149 | V145-S147 PolarHBondContact O-N 2.86Å; S147-L149 VanDerWaalsContact C-N 3.28Å; S147-L149 PolarHBondContact O-N 3.07Å | ||
| 148 | P | 42.7 | Very low | 42.3 | Very low | 139 Ų | 139 | 142.5 Ų | 142.5 | 90% | 0.903 | 80% | 0.797 | S | S | * | * | trans | -78.9 | 79.9 | 160.7 | -11.4 | 29.4 | 0 | 0 | 0 | 109.4 | L146 | L146-P148 WeakPolarHBondContact O-CD 3.48Š| ||
| 149 | L | 42.4 | Very low | 42.7 | Very low | 145 Ų | 145 | 141.6 Ų | 141.6 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -103.1 | 91.5 | 165.7 | -176.1 | 68.3 | 0 | 0 | 0 | 108.8 | S147 | S147-L149 VanDerWaalsContact C-N 3.28Å; S147-L149 PolarHBondContact O-N 3.07Å | ||
| 150 | N | 39.3 | Very low | 42.5 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -154.4 | 106 | 155.9 | -104.7 | -27.5 | 0 | 0 | 0 | 108.4 | ||||
| 151 | K | 46.7 | Very low | 42.2 | Very low | 189 Ų | 189 | 137.8 Ų | 137.8 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 136.7 | 160.5 | -66.3 | 176 | 177.6 | 178.5 | 0 | 106.7 | ||
| 152 | P | 45.2 | Very low | 42.3 | Very low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 136.9 | 156.9 | -6.1 | 22 | 0 | 0 | 0 | 108.5 | ||
| 153 | D | 46.2 | Very low | 42.5 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 63% | 0.626 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -73 | 129.4 | 165.8 | -167.2 | -41.6 | 0 | 0 | 0 | 108.5 | T155 | D153-T155 VanDerWaalsContact C-N 3.32Å; D153-T155 PolarHBondContact O-N 3.38Å; D153-T155 WeakPolarHBondContact OD1-CB 3.49Å; D153-T155 PolarHBondContact OD1-N 3.15Å; D153-T155 PolarHBondContact OD1-OG1 3.29Å |
| 154 | P | 49.1 | Very low | 42.6 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -88.6 | 14.1 | -178.9 | 36.6 | -36.3 | 0 | 0 | 0 | 114.4 | ||
| 155 | T | 47.7 | Very low | 42.8 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | trans | -109.6 | 7.8 | -172.9 | 60.6 | 0 | 0 | 0 | 0 | 116.6 | D153 | D153-T155 VanDerWaalsContact C-N 3.32Å; D153-T155 PolarHBondContact O-N 3.38Å; D153-T155 WeakPolarHBondContact OD1-CB 3.49Å; D153-T155 PolarHBondContact OD1-N 3.15Å; D153-T155 PolarHBondContact OD1-OG1 3.29Å | ||
| 156 | E | 45.1 | Very low | 42.6 | Very low | 190 Ų | 190 | 137.3 Ų | 137.3 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -111.9 | 83 | 172 | -131.4 | 176 | -162 | 0 | 0 | 111.4 | ||||
| 157 | V | 45.5 | Very low | 42.3 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | -119.4 | 110.8 | 157.4 | -86.7 | 0 | 0 | 0 | 0 | 108.2 | D159 | V157-D159 PolarHBondContact O-N 2.92Å; V157-D159 VanDerWaalsContact O-N 3.13Å | ||
| 158 | D | 46.7 | Very low | 42.2 | Very low | 156 Ų | 156 | 135 Ų | 135 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -83.6 | 78.4 | -178.4 | -157.3 | 4.4 | 0 | 0 | 0 | 109.1 | E160 | D158-E160 PolarHBondContact O-N 2.85Å; D158-E160 VanDerWaalsContact O-N 3.16Å | ||
| 159 | D | 46.4 | Very low | 43 | Very low | 148 Ų | 148 | 133.6 Ų | 133.6 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -80.9 | 80.9 | 175.4 | -88.5 | -42.9 | 0 | 0 | 0 | 110.3 | V157 A161 | V157-D159 PolarHBondContact O-N 2.92Å; V157-D159 VanDerWaalsContact O-N 3.13Å; D159-A161 PolarHBondContact O-N 3.1Å | ||
| 160 | E | 42.6 | Very low | 42.4 | Very low | 185 Ų | 185 | 133.8 Ų | 133.8 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -71.5 | 93.4 | 168 | -173.5 | 157.6 | 117.7 | 0 | 0 | 110.5 | D158 | D158-E160 PolarHBondContact O-N 2.85Å; D158-E160 VanDerWaalsContact O-N 3.16Å | ||
| 161 | A | 38.7 | Very low | 42.2 | Very low | 84 Ų | 84 | 131.6 Ų | 131.6 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 135.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D159 | D159-A161 PolarHBondContact O-N 3.1Š|
| 162 | P | 44.6 | Very low | 41.6 | Very low | 125 Ų | 125 | 130 Ų | 130 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 141.2 | -175.3 | 30 | -35.1 | 0 | 0 | 0 | 112.3 | ||
| 163 | A | 40.4 | Very low | 41.2 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 129.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 164 | T | 35.3 | Very low | 40.6 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -136.9 | 118.7 | 149.1 | 54.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 165 | S | 39.7 | Very low | 39.8 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -85.9 | 139.6 | 168.7 | -51 | 0 | 0 | 0 | 0 | 110 | ||||
| 166 | D | 31.2 | Very low | 39.2 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | -150.5 | 138.7 | 141.2 | -150.3 | -2.6 | 0 | 0 | 0 | 112.7 | ||||
| 167 | S | 33.8 | Very low | 38.9 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | -3.9 | 150.3 | 153.3 | -49.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 168 | S | 36.4 | Very low | 38.5 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | cis | 175 | -179.9 | 2.2 | -108.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 169 | P | 59.8 | Low | 37.9 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -109.4 | 170.5 | -151.2 | 41.5 | -36.1 | 0 | 0 | 0 | 116.1 | ||||
| 170 | D | 30.9 | Very low | 38.5 | Very low | 150 Ų | 150 | 130.8 Ų | 130.8 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | trans | 162.1 | 149.1 | 148.9 | -88.6 | -21.3 | 0 | 0 | 0 | 107.6 | ||||
| 171 | T | 34.3 | Very low | 38.2 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | cis | -153.5 | 146.6 | 3.3 | 7.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 172 | I | 34.2 | Very low | 38.2 | Very low | 156 Ų | 156 | 130.6 Ų | 130.6 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | 24.4 | 113.4 | 139.2 | -53.2 | 166.6 | 0 | 0 | 0 | 118.3 | ||||
| 173 | S | 35.8 | Very low | 37.9 | Very low | 125 Ų | 125 | 132 Ų | 132 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | -148.4 | 141.1 | 121.2 | -162.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 174 | R | 34 | Very low | 37.6 | Very low | 188 Ų | 188 | 135.2 Ų | 135.2 | 71% | 0.709 | 77% | 0.766 | S | S | * | * | trans | -106.9 | 136.7 | -173.1 | 161.4 | -173.4 | 178.3 | 177 | 2.1 | 108 | E176 | R174-E176 IonicContact CZ-OE2 2.86Å; R174-E176 IonicContact NE-OE2 2.63Å; R174-E176 PolarHBondContact NE-OE2 3.21Å; R174-E176 IonicContact NH2-OE1 3.88Å; R174-E176 IonicContact NH2-OE2 3.29Å; R174-E176 PolarHBondContact NH2-OE2 2.91Å | ||
| 175 | D | 32.5 | Very low | 37.5 | Very low | 156 Ų | 156 | 131 Ų | 131 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | -149.3 | 150.7 | 128.4 | -144 | -7.8 | 0 | 0 | 0 | 112 | |||||
| 176 | E | 35.7 | Very low | 37.1 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 51% | 0.509 | 75% | 0.751 | S | S | . | * | trans | -104.9 | 144 | -171.2 | -68.2 | 156.1 | 96.6 | 0 | 0 | 111 | R174 | R174-E176 IonicContact CZ-OE2 2.86Å; R174-E176 IonicContact NE-OE2 2.63Å; R174-E176 PolarHBondContact NE-OE2 3.21Å; R174-E176 IonicContact NH2-OE1 3.88Å; R174-E176 IonicContact NH2-OE2 3.29Å; R174-E176 PolarHBondContact NH2-OE2 2.91Å | ||
| 177 | C | 37.9 | Very low | 37.4 | Very low | 138 Ų | 138 | 132 Ų | 132 | 93% | 0.932 | 75% | 0.751 | S | S | * | * | trans | -154.4 | 142.9 | 138 | -103 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 178 | L | 37.7 | Very low | 37.6 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | -98.8 | 132.7 | -162.3 | -60.5 | 156.8 | 0 | 0 | 0 | 111.9 | ||||
| 179 | D | 34.2 | Very low | 37.5 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | 16.3 | 163.1 | 114.3 | -113.8 | 23.9 | 0 | 0 | 0 | 120 | |||||
| 180 | P | 58.4 | Low | 36.3 | Very low | 84 Ų | 84 | 141.4 Ų | 141.4 | 55% | 0.545 | 77% | 0.771 | S | S | . | * | cis | -140.3 | -158.8 | -42 | 33.7 | -11.6 | 0 | 0 | 0 | 112.5 | ||||
| 181 | D | 37.6 | Very low | 37.1 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | trans | 71.8 | 150 | 141.7 | -84.4 | 4.1 | 0 | 0 | 0 | 121.4 | ||||
| 182 | L | 38.8 | Very low | 37.1 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | cis | -150.5 | 157.2 | -5.6 | -100 | -169.8 | 0 | 0 | 0 | 111.7 | ||||
| 183 | L | 37.8 | Very low | 36.9 | Very low | 154 Ų | 154 | 136 Ų | 136 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | trans | 11.3 | 141.9 | 144.2 | -61.8 | 166.5 | 0 | 0 | 0 | 122.4 | ||||
| 184 | N | 33.9 | Very low | 36.7 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | -142.5 | 145.4 | 123.9 | -168.7 | 38.8 | 0 | 0 | 0 | 110.5 | |||||
| 185 | G | 33.3 | Very low | 36.5 | Very low | 53 Ų | 53 | 134.7 Ų | 134.7 | 55% | 0.546 | 77% | 0.773 | S | S | . | * | trans | -140 | -150.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 186 | N | 31.7 | Very low | 36.5 | Very low | 160 Ų | 160 | 133.9 Ų | 133.9 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | 71.9 | 144.5 | 173.9 | -106.4 | 25.2 | 0 | 0 | 0 | 115.9 | ||||
| 187 | V | 35.8 | Very low | 36.3 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | cis | -150.4 | 168.5 | -5.7 | -125.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 188 | R | 38.2 | Very low | 36.1 | Very low | 237 Ų | 237 | 138.4 Ų | 138.4 | 89% | 0.894 | 78% | 0.783 | S | S | * | * | trans | -73.1 | 156.4 | 172.9 | -62.6 | 173.1 | 170.7 | -132.7 | -1 | 113.8 | ||||
| 189 | S | 34.7 | Very low | 35.7 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | -175.6 | 130.5 | 124.1 | -76.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 190 | D | 34.7 | Very low | 35.4 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -78.6 | 160.1 | 153.7 | -107.7 | -49.5 | 0 | 0 | 0 | 108.8 | ||||
| 191 | P | 47 | Very low | 34.1 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | -155 | 165.8 | 52.5 | 41.7 | -20.2 | 0 | 0 | 0 | 120.1 | |||||
| 192 | A | 34.3 | Very low | 33.9 | Very low | 80 Ų | 80 | 139.3 Ų | 139.3 | 66% | 0.661 | 80% | 0.799 | S | S | * | * | trans | 59.4 | 120.3 | 140.2 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 193 | S | 29.8 | Very low | 33.7 | Very low | 110 Ų | 110 | 139 Ų | 139 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | 71.1 | 117.5 | 137.5 | 64.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 194 | S | 32.3 | Very low | 33.5 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 88% | 0.881 | 81% | 0.807 | S | S | * | * | -174.2 | 149 | 129.5 | -82.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 195 | N | 30.2 | Very low | 33.4 | Very low | 159 Ų | 159 | 136.3 Ų | 136.3 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -76.6 | 148.5 | 177.1 | -67.3 | -63.3 | 0 | 0 | 0 | 112.6 | ||||
| 196 | T | 32.5 | Very low | 33.4 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | -179.8 | 126.9 | 120.4 | 32 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 197 | K | 32.5 | Very low | 33.5 | Very low | 185 Ų | 185 | 139.6 Ų | 139.6 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | 39.6 | 119.9 | 129.4 | -165.6 | -175.2 | -176 | -176.4 | 0 | 120.6 | |||||
| 198 | L | 31.8 | Very low | 33.5 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | trans | 163.6 | 111.8 | 131.5 | -87.2 | 168.6 | 0 | 0 | 0 | 107.3 | ||||
| 199 | A | 29.7 | Very low | 33.1 | Very low | 88 Ų | 88 | 138 Ų | 138 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | 94.3 | 112.3 | 83.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 200 | S | 29 | Very low | 33.1 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -91.5 | 138.2 | 176.7 | -49.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 201 | E | 31.4 | Very low | 32.8 | Very low | 193 Ų | 193 | 136.3 Ų | 136.3 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -111.8 | 122.6 | 169.7 | -69.3 | -168.3 | 146.9 | 0 | 0 | 111.1 | ||||
| 202 | N | 33.1 | Very low | 32.2 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -87.9 | 126.7 | 172 | -80.8 | 15.5 | 0 | 0 | 0 | 110 | N204 | N202-N204 PolarHBondContact O-N 2.86Š| ||
| 203 | S | 33.9 | Very low | 32 | Very low | 123 Ų | 123 | 145.2 Ų | 145.2 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | -93.3 | 93.9 | 172.3 | 36.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 204 | N | 32.9 | Very low | 32.2 | Very low | 147 Ų | 147 | 149.6 Ų | 149.6 | 79% | 0.786 | 83% | 0.825 | S | S | * | * | trans | -102.5 | 112.4 | 169.3 | -83.2 | -19.3 | 0 | 0 | 0 | 110.6 | N202 | N202-N204 PolarHBondContact O-N 2.86Š| ||
| 205 | S | 32.4 | Very low | 32.2 | Very low | 116 Ų | 116 | 152.7 Ų | 152.7 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -89 | 121.9 | 176.3 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | ||
| 206 | I | 33.3 | Very low | 32.2 | Very low | 143 Ų | 143 | 152.7 Ų | 152.7 | 73% | 0.733 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 116.3 | 176.3 | -66.4 | 171.1 | 0 | 0 | 0 | 109.3 | K208 | I206-K208 HydrophobicContact CG2-CG 4.39Š|
| 207 | I | 34.7 | Very low | 32.3 | Very low | 140 Ų | 140 | 154.3 Ų | 154.3 | 72% | 0.718 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 116.2 | 172.3 | -61 | 177.1 | 0 | 0 | 0 | 109 | N209 | I207-N209 WeakPolarHBondContact CG2-OD1 3.17Š|
| 208 | K | 34.8 | Very low | 32.2 | Very low | 183 Ų | 183 | 154.2 Ų | 154.2 | 80% | 0.796 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 120.3 | 167.9 | -73.4 | -175.9 | 177 | -179.6 | 0 | 109.8 | I206 | I206-K208 HydrophobicContact CG2-CG 4.39Š|
| 209 | N | 31.1 | Very low | 32.1 | Very low | 148 Ų | 148 | 154.5 Ų | 154.5 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | trans | -95.7 | 115.2 | 173.4 | -62.8 | -30.2 | 0 | 0 | 0 | 109.6 | I207 | I207-N209 WeakPolarHBondContact CG2-OD1 3.17Š| ||
| 210 | S | 33.1 | Very low | 32.2 | Very low | 110 Ų | 110 | 159.4 Ų | 159.4 | 77% | 0.769 | 83% | 0.833 | S | S | * | * | trans | -105.8 | 114.3 | 177.6 | -64.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 211 | C | 29.8 | Very low | 32.2 | Very low | 135 Ų | 135 | 162 Ų | 162 | 91% | 0.912 | 83% | 0.829 | S | S | * | * | trans | -71.1 | 126.6 | 169.5 | -67.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 212 | K | 32.9 | Very low | 32 | Very low | 210 Ų | 210 | 158.6 Ų | 158.6 | 91% | 0.913 | 82% | 0.817 | S | S | * | * | trans | -102.8 | 109.1 | 167.5 | -84.2 | -177.7 | 174 | 176.3 | 0 | 109.7 | ||||
| 213 | L | 30.6 | Very low | 31.9 | Very low | 173 Ų | 173 | 159 Ų | 159 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 133.5 | 161.6 | -168.8 | 65.6 | 0 | 0 | 0 | 108.5 | ||
| 214 | K | 34.1 | Very low | 31.7 | Very low | 202 Ų | 202 | 161 Ų | 161 | 88% | 0.878 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 127.6 | -178.2 | -77.9 | 179.2 | 174.2 | 177.6 | 0 | 110.8 | ||
| 215 | Q | 32.6 | Very low | 31.5 | Very low | 191 Ų | 191 | 156.9 Ų | 156.9 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 133.2 | 169.2 | -172.1 | 174.3 | 11.3 | 0 | 0 | 109.7 | ||
| 216 | N | 29.3 | Very low | 31.4 | Very low | 159 Ų | 159 | 160 Ų | 160 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 149.2 | 169.3 | -154.1 | -6.8 | 0 | 0 | 0 | 109.5 | ||
| 217 | Q | 35.5 | Very low | 31.3 | Very low | 172 Ų | 172 | 159.7 Ų | 159.7 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -120.6 | 122.2 | -161.6 | -174.1 | -177.5 | 82.9 | 0 | 0 | 110.9 | ||||
| 218 | Q | 29.6 | Very low | 31.2 | Very low | 183 Ų | 183 | 160 Ų | 160 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | trans | -147 | 117.8 | 162.1 | -159.7 | 85.7 | 35.2 | 0 | 0 | 109 | ||||
| 219 | M | 29.6 | Very low | 31.5 | Very low | 163 Ų | 163 | 159.4 Ų | 159.4 | 80% | 0.803 | 82% | 0.816 | S | S | * | * | trans | -94.3 | 141.1 | 165.9 | -81 | -175.7 | 60.1 | 0 | 0 | 109.5 | ||||
| 220 | Q | 31.6 | Very low | 31.8 | Very low | 190 Ų | 190 | 161.2 Ų | 161.2 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -153.4 | 147.2 | 137.2 | -125.6 | 163.6 | -14.5 | 0 | 0 | 113 | ||||
| 221 | K | 30.6 | Very low | 31.9 | Very low | 174 Ų | 174 | 164.6 Ų | 164.6 | 76% | 0.757 | 82% | 0.823 | S | S | * | * | trans | -67.6 | 161.4 | 172.2 | -104.9 | 174.5 | 171.6 | -176.4 | 0 | 110.2 | ||||
| 222 | D | 26.4 | Very low | 32 | Very low | 122 Ų | 122 | 161.7 Ų | 161.7 | 65% | 0.652 | 82% | 0.816 | S | S | * | * | -165.4 | 158.6 | 56.9 | -98.3 | -47.9 | 0 | 0 | 0 | 112.6 | |||||
| 223 | L | 31.8 | Very low | 32.3 | Very low | 156 Ų | 156 | 160.4 Ų | 160.4 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | trans | 40.1 | 140.2 | 141.3 | -50.3 | 172.2 | 0 | 0 | 0 | 119.9 | ||||
| 224 | N | 28.6 | Very low | 32.7 | Very low | 164 Ų | 164 | 156.2 Ų | 156.2 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | cis | -171 | 162 | 24.1 | -165.8 | 19.8 | 0 | 0 | 0 | 110.3 | ||||
| 225 | G | 28.8 | Very low | 32.9 | Very low | 60 Ų | 60 | 152.7 Ų | 152.7 | 62% | 0.619 | 80% | 0.798 | S | S | * | * | trans | 116.6 | 98.8 | 147.7 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 226 | Q | 31.2 | Very low | 33.3 | Very low | 183 Ų | 183 | 150.2 Ų | 150.2 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | 63.1 | 130.5 | 142.6 | -72.3 | 179.6 | -91.7 | 0 | 0 | 124.1 | ||||
| 227 | D | 29.9 | Very low | 34.3 | Very low | 135 Ų | 135 | 151.4 Ų | 151.4 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | 13.7 | 146.2 | 122.4 | -60.8 | -32.6 | 0 | 0 | 0 | 118.7 | |||||
| 228 | D | 33.9 | Very low | 34.8 | Very low | 146 Ų | 146 | 152.1 Ų | 152.1 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | cis | -153.9 | 166.3 | 31.3 | -138.1 | -35.7 | 0 | 0 | 0 | 113.4 | ||||
| 229 | H | 39.6 | Very low | 35.6 | Very low | 171 Ų | 171 | 153.5 Ų | 153.5 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -77.1 | 142.4 | 172.3 | -84.7 | -86.3 | 0 | 0 | 0 | 111.8 | ||||
| 230 | H | 38.7 | Very low | 36.2 | Very low | 187 Ų | 187 | 153.9 Ų | 153.9 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | trans | -158.6 | 99.1 | 141.6 | -102.6 | 25.3 | 0 | 0 | 0 | 112.7 | ||||
| 231 | E | 35.4 | Very low | 36.2 | Very low | 181 Ų | 181 | 149.8 Ų | 149.8 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | 22 | 123.3 | 127.3 | -164.3 | 164.6 | -150.3 | 0 | 0 | 119.9 | |||||
| 232 | G | 32.4 | Very low | 36.2 | Very low | 74 Ų | 74 | 145.3 Ų | 145.3 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | trans | 173.6 | 112.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 233 | H | 38.5 | Very low | 36.5 | Very low | 183 Ų | 183 | 146.2 Ų | 146.2 | 85% | 0.847 | 82% | 0.815 | S | S | * | * | trans | -58.5 | 165.7 | 172.4 | -52.6 | -94.7 | 0 | 0 | 0 | 113 | ||||
| 234 | A | 37.7 | Very low | 36.7 | Very low | 85 Ų | 85 | 146.7 Ų | 146.7 | 70% | 0.702 | 81% | 0.81 | S | S | * | * | cis | -162.4 | 160.9 | 25.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 235 | T | 39.4 | Very low | 36.7 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | 24.6 | 118.6 | 144.1 | 55.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 236 | D | 41.4 | Very low | 36.9 | Very low | 140 Ų | 140 | 148.5 Ų | 148.5 | 75% | 0.749 | 81% | 0.807 | S | S | * | * | 46.4 | 113.4 | 107.9 | -157.7 | 21.2 | 0 | 0 | 0 | 119.7 | |||||
| 237 | E | 49 | Very low | 36.8 | Very low | 183 Ų | 183 | 149.4 Ų | 149.4 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | -174.7 | 126.6 | 104.4 | -97.2 | -168.8 | 178.9 | 0 | 0 | 111.2 | |||||
| 238 | E | 47.6 | Very low | 36.9 | Very low | 188 Ų | 188 | 150.9 Ų | 150.9 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -84.1 | 135.7 | 164.7 | -67.1 | -170.2 | 125.6 | 0 | 0 | 110.6 | ||||
| 239 | K | 45.4 | Very low | 36.7 | Very low | 211 Ų | 211 | 152.6 Ų | 152.6 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | -161.3 | 143.3 | 128.1 | -116.2 | 170.6 | -170.8 | 176.6 | 0 | 117.3 | |||||
| 240 | L | 41.9 | Very low | 36.1 | Very low | 171 Ų | 171 | 150.6 Ų | 150.6 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -75.5 | 149.8 | 176.3 | -56.3 | 157.4 | 0 | 0 | 0 | 112.2 | ||||
| 241 | A | 32.3 | Very low | 35.7 | Very low | 104 Ų | 104 | 152.9 Ų | 152.9 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | -166 | 134.3 | 127.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 242 | G | 31.3 | Very low | 35.7 | Very low | 80 Ų | 80 | 151.7 Ų | 151.7 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -88.7 | 172.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 243 | T | 31.4 | Very low | 35.4 | Very low | 142 Ų | 142 | 154.8 Ų | 154.8 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | trans | -104.1 | 131.7 | -176.6 | 42.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 244 | K | 35.4 | Very low | 34.9 | Very low | 166 Ų | 166 | 151 Ų | 151 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | -166.9 | 119.6 | 141.5 | -110.7 | 175 | -175.6 | 179.1 | 0 | 113.1 | D373 | K244-D373 IonicContact NZ-OD2 3.51Å; K244-D373 PolarHBondContact NZ-OD2 2.96Å | ||
| 245 | S | 29.8 | Very low | 34.8 | Very low | 90 Ų | 90 | 154.7 Ų | 154.7 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | trans | 70 | 117.3 | 138.8 | -70 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 246 | E | 31.8 | Very low | 34.2 | Very low | 171 Ų | 171 | 155.6 Ų | 155.6 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | 83.3 | 110.4 | 123.7 | -69.8 | 158.3 | -131 | 0 | 0 | 122.4 | |||||
| 247 | K | 30.1 | Very low | 33.9 | Very low | 203 Ų | 203 | 155.6 Ų | 155.6 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | -159.8 | 161.1 | 108.3 | -112.4 | 172.5 | -177.8 | 175.9 | 0 | 114.3 | |||||
| 248 | E | 30.9 | Very low | 33.1 | Very low | 166 Ų | 166 | 151.7 Ų | 151.7 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | -81.5 | 151.2 | -164.7 | -51.9 | 147.9 | 116.7 | 0 | 0 | 114 | ||||
| 249 | Q | 30.7 | Very low | 32.5 | Very low | 182 Ų | 182 | 151.7 Ų | 151.7 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | 176.6 | 128.2 | 105.5 | -95 | 176.9 | 1.1 | 0 | 0 | 113.9 | |||||
| 250 | N | 27.1 | Very low | 32.2 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 69% | 0.69 | 80% | 0.797 | S | S | * | * | trans | 46.5 | 104.9 | 139 | -167.5 | 12.6 | 0 | 0 | 0 | 120 | ||||
| 251 | Y | 30.6 | Very low | 31.7 | Very low | 234 Ų | 234 | 147.1 Ų | 147.1 | 92% | 0.918 | 80% | 0.795 | S | S | * | * | -145.4 | 159 | 127.4 | -107.4 | -78.4 | 0 | 0 | 0 | 110.6 | |||||
| 252 | Q | 34 | Very low | 32.3 | Very low | 157 Ų | 157 | 151.6 Ų | 151.6 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | -100.3 | 171.3 | -161.9 | -169.5 | 150.5 | -26.8 | 0 | 0 | 113.5 | ||||
| 253 | D | 26.9 | Very low | 32.9 | Very low | 138 Ų | 138 | 153.5 Ų | 153.5 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | 73.9 | 138.3 | 173.3 | -62.8 | -20.6 | 0 | 0 | 0 | 117 | ||||
| 254 | C | 28.3 | Very low | 33.4 | Very low | 105 Ų | 105 | 150.6 Ų | 150.6 | 71% | 0.709 | 80% | 0.797 | S | S | * | * | cis | -153.4 | 141.5 | -1.7 | -123.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 255 | N | 35 | Very low | 33.5 | Very low | 161 Ų | 161 | 148.7 Ų | 148.7 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | -79.5 | 119.9 | 165.9 | -95.6 | -34.9 | 0 | 0 | 0 | 109.5 | ||||
| 256 | L | 26.8 | Very low | 33.6 | Very low | 146 Ų | 146 | 150.4 Ų | 150.4 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | trans | -135.1 | 85.6 | 160.7 | -82.6 | 177.3 | 0 | 0 | 0 | 111.1 | S258 | L256-S258 PolarHBondContact O-N 3.27Å; L256-S258 VanDerWaalsContact O-N 3.14Å | ||
| 257 | T | 35.7 | Very low | 33.8 | Very low | 141 Ų | 141 | 147 Ų | 147 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | trans | -61.5 | 102.1 | 149.8 | 40.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 258 | S | 31.6 | Very low | 33.8 | Very low | 100 Ų | 100 | 142.9 Ų | 142.9 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 120.6 | 170.2 | -63.5 | 0 | 0 | 0 | 0 | 109.8 | L256 | L256-S258 PolarHBondContact O-N 3.27Å; L256-S258 VanDerWaalsContact O-N 3.14Å |
| 259 | K | 36.3 | Very low | 34.1 | Very low | 188 Ų | 188 | 144.1 Ų | 144.1 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 156.3 | 162.3 | -66.7 | -177.1 | 174.6 | -174.7 | 0 | 109.4 | D261 | K259-D261 PolarHBondContact O-N 3.39Š|
| 260 | P | 37.6 | Very low | 34.3 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 116.1 | 160.2 | 30.1 | -30.5 | 0 | 0 | 0 | 108.3 | ||
| 261 | D | 31.2 | Very low | 35 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 151.3 | 163.7 | -112.4 | -20.1 | 0 | 0 | 0 | 109.6 | K259 S263 | K259-D261 PolarHBondContact O-N 3.39Å; D261-S263 PolarHBondContact O-N 3.39Å |
| 262 | E | 46.7 | Very low | 35.2 | Very low | 197 Ų | 197 | 137.4 Ų | 137.4 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 125.9 | 177.6 | -60.5 | -178.2 | 144.2 | 0 | 0 | 111 | ||
| 263 | S | 43.1 | Very low | 35.4 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -143.3 | 100.9 | 167.3 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | D261 | D261-S263 PolarHBondContact O-N 3.39Š| ||
| 264 | G | 41.9 | Very low | 35.7 | Very low | 80 Ų | 80 | 136 Ų | 136 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -76.1 | 137.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 265 | C | 37.5 | Very low | 35.9 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | -163.5 | 85 | 148.4 | -169.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 266 | C | 31.7 | Very low | 35.7 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -164.2 | 127.8 | 142.3 | -112.8 | 0 | 0 | 0 | 0 | 108.7 | V268 | C266-V268 PolarHBondContact O-N 3.12Š|
| 267 | S | 36.7 | Very low | 36.3 | Very low | 99 Ų | 99 | 139.3 Ų | 139.3 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | trans | -66.2 | 125.4 | -167.6 | 53.2 | 0 | 0 | 0 | 0 | 113 | Y269 | S267-Y269 PolarHBondContact O-N 2.83Å; S267-Y269 VanDerWaalsContact O-N 3.12Å | ||
| 268 | V | 30.4 | Very low | 36.1 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | trans | -64.3 | 105.8 | 156.4 | 176.8 | 0 | 0 | 0 | 0 | 107.5 | C266 E270 | C266-V268 PolarHBondContact O-N 3.12Å; V268-E270 VanDerWaalsContact C-N 3.29Å; V268-E270 HydrophobicContact CG1-CB 3.95Å; V268-E270 HydrophobicContact CG1-CG 3.76Å; V268-E270 PolarHBondContact O-N 3.27Å | ||
| 269 | Y | 37.3 | Very low | 35.9 | Very low | 191 Ų | 191 | 142 Ų | 142 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | trans | -82.1 | 85.8 | 157.7 | 44.1 | -88.9 | 0 | 0 | 0 | 107.3 | S267 D271 | S267-Y269 PolarHBondContact O-N 2.83Å; S267-Y269 VanDerWaalsContact O-N 3.12Å; Y269-D271 PolarHBondContact O-N 3.47Å | ||
| 270 | E | 33.5 | Very low | 35.7 | Very low | 155 Ų | 155 | 136.6 Ų | 136.6 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | trans | -69.9 | 115.4 | 171.7 | -118.9 | 172.8 | -164.9 | 0 | 0 | 108.6 | V268 T272 | V268-E270 VanDerWaalsContact C-N 3.29Å; V268-E270 HydrophobicContact CG1-CB 3.95Å; V268-E270 HydrophobicContact CG1-CG 3.76Å; V268-E270 PolarHBondContact O-N 3.27Å; E270-T272 PolarHBondContact O-N 3.05Å | ||
| 271 | D | 42.1 | Very low | 35.4 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | trans | -72.1 | 77.8 | 172.8 | -172.1 | 8.6 | 0 | 0 | 0 | 109.8 | Y269 C273 | Y269-D271 PolarHBondContact O-N 3.47Å; D271-C273 PolarHBondContact O-N 3.05Å | ||
| 272 | T | 34.5 | Very low | 35.6 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | trans | -90 | 77.7 | 174.6 | -56.3 | 0 | 0 | 0 | 0 | 110 | E270 | E270-T272 PolarHBondContact O-N 3.05Š| ||
| 273 | C | 37.7 | Very low | 35 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | trans | -111.8 | 38.4 | 166.7 | -70.9 | 0 | 0 | 0 | 0 | 112.9 | D271 L275 | D271-C273 PolarHBondContact O-N 3.05Å; C273-L275 PolarHBondContact O-N 3.3Å | ||
| 274 | E | 33.8 | Very low | 34.5 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 73% | 0.729 | 78% | 0.783 | S | S | * | * | trans | -75.9 | 71.7 | 160.1 | -78.3 | -154.7 | 171.3 | 0 | 0 | 111.1 | K276 | E274-K276 PolarHBondContact O-N 3.28Å; E274-K276 WeakPolarHBondContact OE2-CE 3.35Å; E274-K276 IonicContact OE2-NZ 3.85Å | ||
| 275 | L | 32.6 | Very low | 34.4 | Very low | 171 Ų | 171 | 144.4 Ų | 144.4 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | trans | -82.5 | 95.7 | 162.7 | -157.7 | 80.1 | 0 | 0 | 0 | 109.4 | C273 T277 | C273-L275 PolarHBondContact O-N 3.3Å; L275-T277 PolarHBondContact O-N 2.69Å | ||
| 276 | K | 32.1 | Very low | 34.2 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 70% | 0.7 | 79% | 0.785 | S | S | * | * | trans | -60.4 | 134 | 176.6 | -71.2 | 169.1 | -178.8 | 164.6 | 0 | 110.9 | E274 S278 | E274-K276 PolarHBondContact O-N 3.28Å; E274-K276 WeakPolarHBondContact OE2-CE 3.35Å; E274-K276 IonicContact OE2-NZ 3.85Å; K276-S278 PolarHBondContact O-N 3.5Å; K276-S278 VanDerWaalsContact O-N 3.11Å | ||
| 277 | T | 37.8 | Very low | 34.6 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 91% | 0.914 | 78% | 0.776 | S | S | * | * | trans | -54.8 | 113 | 162.3 | -44.9 | 0 | 0 | 0 | 0 | 109.2 | L275 | L275-T277 PolarHBondContact O-N 2.69Š| ||
| 278 | S | 31.3 | Very low | 34.6 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -116.3 | 125.7 | 166.5 | 62.9 | 0 | 0 | 0 | 0 | 109.2 | K276 | K276-S278 PolarHBondContact O-N 3.5Å; K276-S278 VanDerWaalsContact O-N 3.11Å | ||
| 279 | E | 28.2 | Very low | 35.2 | Very low | 191 Ų | 191 | 145.4 Ų | 145.4 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | -58.7 | 158 | 176 | -69.3 | 168.1 | 107.2 | 0 | 0 | 112.1 | ||||
| 280 | G | 32.3 | Very low | 35.6 | Very low | 74 Ų | 74 | 141.9 Ų | 141.9 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | -74.6 | 164.5 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 281 | T | 32.1 | Very low | 36.3 | Very low | 143 Ų | 143 | 141.7 Ų | 141.7 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -133.2 | 135.4 | 149.8 | -53.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 282 | E | 35.3 | Very low | 36.3 | Very low | 186 Ų | 186 | 142.7 Ų | 142.7 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | -62.7 | 135.4 | -179.9 | -60.7 | 169.1 | 103.1 | 0 | 0 | 112 | ||||
| 283 | M | 32.9 | Very low | 36.8 | Very low | 162 Ų | 162 | 143 Ų | 143 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | trans | -140.1 | 90.7 | 159.3 | -159.8 | 69.2 | 163.2 | 0 | 0 | 111.1 | ||||
| 284 | Q | 33.3 | Very low | 37.3 | Very low | 149 Ų | 149 | 143.5 Ų | 143.5 | 70% | 0.696 | 79% | 0.793 | S | S | * | * | trans | 54 | 88.8 | 146.1 | -63.2 | -178.4 | -28.2 | 0 | 0 | 118 | T286 | Q284-T286 VanDerWaalsContact C-N 3.26Å; Q284-T286 PolarHBondContact O-N 3.47Å | ||
| 285 | K | 38.7 | Very low | 38.1 | Very low | 210 Ų | 210 | 142.4 Ų | 142.4 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | trans | -40.4 | 81.3 | 142 | -176.2 | -176.2 | -178.1 | 177.3 | 0 | 112.9 | G287 | K285-G287 VanDerWaalsContact C-N 3.29Å; K285-G287 PolarHBondContact O-N 2.9Å; K285-G287 VanDerWaalsContact O-N 3.14Å | ||
| 286 | T | 34.6 | Very low | 38.9 | Very low | 129 Ų | 129 | 139 Ų | 139 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -79.4 | 83.2 | 158.2 | 45.7 | 0 | 0 | 0 | 0 | 108.2 | Q284 S288 | Q284-T286 VanDerWaalsContact C-N 3.26Å; Q284-T286 PolarHBondContact O-N 3.47Å; T286-S288 PolarHBondContact O-N 3.34Å | ||
| 287 | G | 39.8 | Very low | 40.5 | Very low | 64 Ų | 64 | 133.9 Ų | 133.9 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | trans | -61.9 | 103.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | K285 Q289 | K285-G287 VanDerWaalsContact C-N 3.29Å; K285-G287 PolarHBondContact O-N 2.9Å; K285-G287 VanDerWaalsContact O-N 3.14Å; G287-Q289 PolarHBondContact O-N 2.79Å | ||
| 288 | S | 37.4 | Very low | 42.1 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | -71 | 99.1 | 166.1 | -169.9 | 0 | 0 | 0 | 0 | 108.2 | T286 V290 | T286-S288 PolarHBondContact O-N 3.34Å; S288-V290 PolarHBondContact O-N 3.48Å | ||
| 289 | Q | 42.5 | Very low | 44.4 | Very low | 197 Ų | 197 | 133.5 Ų | 133.5 | 92% | 0.921 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -73.2 | 54.4 | -174.4 | -168.5 | -178.8 | 1 | 0 | 0 | 111.9 | G287 | G287-Q289 PolarHBondContact O-N 2.79Š|
| 290 | V | 44.6 | Very low | 46.7 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 70% | 0.703 | 74% | 0.735 | S | S | * | * | trans | -140.9 | 26.2 | -174.2 | -155.5 | 0 | 0 | 0 | 0 | 112.6 | S288 | S288-V290 PolarHBondContact O-N 3.48Š| ||
| 291 | L | 48.6 | Very low | 49 | Very low | 152 Ų | 152 | 132.2 Ų | 132.2 | 80% | 0.796 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -132.5 | 9.5 | 176.3 | -71.5 | 177.3 | 0 | 0 | 0 | 114.7 | ||
| 292 | D | 42.1 | Very low | 51.4 | Low | 161 Ų | 161 | 130.3 Ų | 130.3 | 86% | 0.861 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -111.4 | 30.1 | -179.1 | -154.2 | 35.9 | 0 | 0 | 0 | 112.2 | ||
| 293 | S | 45.4 | Very low | 53.6 | Low | 116 Ų | 116 | 123.9 Ų | 123.9 | 81% | 0.811 | 69% | 0.688 | S | S | * | * | trans | -146.1 | 14.3 | -179.1 | -58 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 294 | I | 48.6 | Very low | 56.1 | Low | 120 Ų | 120 | 119.9 Ų | 119.9 | 62% | 0.615 | 67% | 0.672 | S | S | * | * | trans | -92.9 | 114.5 | 161.4 | -57.3 | 178.2 | 0 | 0 | 0 | 106.1 | I296 | I294-I296 HydrophobicContact CB-CG1 4.41Å; I294-I296 HydrophobicContact CG2-CG1 4.13Å; I294-I296 WeakPolarHBondContact O-CG1 3.4Å; I294-I296 PolarHBondContact O-N 2.88Å | ||
| 295 | C | 50.9 | Low | 58.6 | Low | 132 Ų | 132 | 115.9 Ų | 115.9 | 89% | 0.892 | 66% | 0.655 | S | S | * | * | trans | -72.7 | 68.4 | 172 | -69.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 296 | I | 49.5 | Very low | 60.9 | Low | 99 Ų | 99 | 108.2 Ų | 108.2 | 51% | 0.508 | 63% | 0.626 | S | S | . | * | trans | -72.7 | 123.2 | 163.9 | 14.4 | 178.1 | 0 | 0 | 0 | 107.6 | I294 E300 | I294-I296 HydrophobicContact CB-CG1 4.41Å; I294-I296 HydrophobicContact CG2-CG1 4.13Å; I294-I296 WeakPolarHBondContact O-CG1 3.4Å; I294-I296 PolarHBondContact O-N 2.88Å; I296-E300 HydrophobicContact CB-CB 4.16Å; I296-E300 HydrophobicContact CG2-CB 3.68Å; I296-E300 HydrophobicContact CG2-CG 4.42Å | ||
| 297 | S | 63.7 | Low | 63.5 | Low | 55 Ų | 55 | 107.4 Ų | 107.4 | 39% | 0.385 | 62% | 0.616 | S | S | . | * | trans | -60.4 | 159.1 | 177.7 | 64.1 | 0 | 0 | 0 | 0 | 111.5 | A299 E300 K301 | S297-A299 PolarHBondContact O-N 2.89Å; S297-A299 VanDerWaalsContact O-N 3.14Å; S297-E300 VanDerWaalsContact CB-OE2 3.26Å; S297-E300 WeakPolarHBondContact CB-OE2 3.29Å; S297-E300 PolarHBondContact N-OE2 2.86Å; S297-E300 PolarHBondContact O-N 3.3Å; S297-E300 WeakPolarHBondContact OG-CG 3.49Å; S297-E300 PolarHBondContact OG-N 3.14Å; S297-E300 PolarHBondContact OG-OE2 3.33Å; S297-K301 PolarHBondContact O-N 2.89Å | ||
| 298 | E | 73.3 | Confident | 65.8 | Low | 176 Ų | 176 | 108.5 Ų | 108.5 | 82% | 0.822 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -54.8 | -33.6 | 175.8 | -173.7 | 170.2 | -161.8 | 0 | 0 | 112 | Q302 | E298-Q302 WeakPolarHBondContact O-CB 3.44Å; E298-Q302 PolarHBondContact O-N 3.45Å |
| 299 | A | 78 | Confident | 68.3 | Low | 72 Ų | 72 | 109.9 Ų | 109.9 | 60% | 0.595 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.8 | -43.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S297 Q302 A303 | S297-A299 PolarHBondContact O-N 2.89Å; S297-A299 VanDerWaalsContact O-N 3.14Å; A299-Q302 PolarHBondContact O-N 2.92Å; A299-A303 WeakPolarHBondContact O-CB 3.43Å; A299-A303 PolarHBondContact O-N 3.29Å |
| 300 | E | 77.1 | Confident | 70.6 | Confident | 98 Ų | 98 | 105.5 Ų | 105.5 | 46% | 0.458 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70 | -39.2 | 178.3 | -70.8 | 159.6 | 124.6 | 0 | 0 | 111.7 | I296 S297 Q302 A303 V304 | I296-E300 HydrophobicContact CB-CB 4.16Å; I296-E300 HydrophobicContact CG2-CB 3.68Å; I296-E300 HydrophobicContact CG2-CG 4.42Å; S297-E300 VanDerWaalsContact CB-OE2 3.26Å; S297-E300 WeakPolarHBondContact CB-OE2 3.29Å; S297-E300 PolarHBondContact N-OE2 2.86Å; S297-E300 PolarHBondContact O-N 3.3Å; S297-E300 WeakPolarHBondContact OG-CG 3.49Å; S297-E300 PolarHBondContact OG-N 3.14Å; S297-E300 PolarHBondContact OG-OE2 3.33Å; E300-Q302 VanDerWaalsContact C-N 3.32Å; E300-Q302 PolarHBondContact O-N 3.45Å; E300-A303 PolarHBondContact O-N 2.92Å; E300-V304 WeakPolarHBondContact O-CG2 3.44Å; E300-V304 PolarHBondContact O-N 3.28Å |
| 301 | K | 80.5 | Confident | 72.9 | Confident | 140 Ų | 140 | 105.4 Ų | 105.4 | 61% | 0.609 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.3 | -42.4 | 171.9 | -177.3 | 179.5 | 178.4 | 180 | 0 | 111.5 | S297 L305 | S297-K301 PolarHBondContact O-N 2.89Å; K301-L305 WeakPolarHBondContact O-CG 3.19Å; K301-L305 PolarHBondContact O-N 2.91Å; K301-L305 VanDerWaalsContact O-N 3.12Å |
| 302 | Q | 82.4 | Confident | 74.9 | Confident | 102 Ų | 102 | 102.9 Ų | 102.9 | 48% | 0.477 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.9 | -38.3 | 176.1 | -173 | 66.4 | 2.9 | 0 | 0 | 111.8 | E298 A299 E300 L305 T306 | E298-Q302 WeakPolarHBondContact O-CB 3.44Å; E298-Q302 PolarHBondContact O-N 3.45Å; A299-Q302 PolarHBondContact O-N 2.92Å; E300-Q302 VanDerWaalsContact C-N 3.32Å; E300-Q302 PolarHBondContact O-N 3.45Å; Q302-L305 PolarHBondContact O-N 2.9Å; Q302-T306 PolarHBondContact O-N 3.31Å; Q302-T306 PolarHBondContact O-OG1 2.64Å; Q302-T306 VanDerWaalsContact O-OG1 3.1Å |
| 303 | A | 82.4 | Confident | 77.4 | Confident | 52 Ų | 52 | 100.2 Ų | 100.2 | 43% | 0.43 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | A299 E300 L305 T306 L307 | A299-A303 WeakPolarHBondContact O-CB 3.43Å; A299-A303 PolarHBondContact O-N 3.29Å; E300-A303 PolarHBondContact O-N 2.92Å; A303-L305 PolarHBondContact O-N 2.91Å; A303-T306 PolarHBondContact O-N 2.94Å; A303-L307 WeakPolarHBondContact O-CG 3.36Å; A303-L307 PolarHBondContact O-N 2.96Å |
| 304 | V | 85.6 | Confident | 79.5 | Confident | 77 Ų | 77 | 98 Ų | 98 | 47% | 0.467 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 174.8 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | E300 T306 L307 I308 | E300-V304 WeakPolarHBondContact O-CG2 3.44Å; E300-V304 PolarHBondContact O-N 3.28Å; V304-T306 VanDerWaalsContact C-N 3.33Å; V304-T306 PolarHBondContact O-N 3.45Å; V304-L307 PolarHBondContact O-N 2.99Å; V304-I308 HydrophobicContact CG1-CD1 3.8Å; V304-I308 HydrophobicContact CG1-CG1 4.49Å; V304-I308 VanDerWaalsContact O-CG1 3.28Å; V304-I308 WeakPolarHBondContact O-CG1 3.2Å; V304-I308 PolarHBondContact O-N 3.43Å |
| 305 | L | 85.6 | Confident | 81.6 | Confident | 66 Ų | 66 | 97 Ų | 97 | 35% | 0.346 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.2 | -32.4 | 175.2 | -74.1 | 172.5 | 0 | 0 | 0 | 113.2 | K301 Q302 A303 R309 | K301-L305 WeakPolarHBondContact O-CG 3.19Å; K301-L305 PolarHBondContact O-N 2.91Å; K301-L305 VanDerWaalsContact O-N 3.12Å; Q302-L305 PolarHBondContact O-N 2.9Å; A303-L305 PolarHBondContact O-N 2.91Å; L305-R309 WeakPolarHBondContact O-CD 3.4Å; L305-R309 WeakPolarHBondContact O-CG 3.46Å; L305-R309 PolarHBondContact O-N 3.29Å; L305-R309 VanDerWaalsContact O-N 3.15Å |
| 306 | T | 86.4 | Confident | 83.6 | Confident | 49 Ų | 49 | 96.1 Ų | 96.1 | 30% | 0.301 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.7 | -47.2 | 173.6 | -62.8 | 0 | 0 | 0 | 0 | 111.1 | Q302 A303 V304 I308 R309 E310 | Q302-T306 PolarHBondContact O-N 3.31Å; Q302-T306 PolarHBondContact O-OG1 2.64Å; Q302-T306 VanDerWaalsContact O-OG1 3.1Å; A303-T306 PolarHBondContact O-N 2.94Å; V304-T306 VanDerWaalsContact C-N 3.33Å; V304-T306 PolarHBondContact O-N 3.45Å; T306-I308 VanDerWaalsContact C-N 3.34Å; T306-I308 PolarHBondContact O-N 2.94Å; T306-R309 WeakPolarHBondContact O-CB 3.21Å; T306-R309 PolarHBondContact O-N 3.48Å; T306-E310 HydrophobicContact CG2-CG 4.38Å; T306-E310 WeakPolarHBondContact CG2-OE1 3.47Å; T306-E310 WeakPolarHBondContact O-CG 3.41Å; T306-E310 PolarHBondContact O-N 2.81Å |
| 307 | L | 88.4 | Confident | 85.6 | Confident | 111 Ų | 111 | 94.2 Ų | 94.2 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.7 | -43 | 176 | -73.9 | 169.9 | 0 | 0 | 0 | 112.3 | A303 V304 R309 E310 E311 | A303-L307 WeakPolarHBondContact O-CG 3.36Å; A303-L307 PolarHBondContact O-N 2.96Å; V304-L307 PolarHBondContact O-N 2.99Å; L307-R309 VanDerWaalsContact C-N 3.32Å; L307-R309 PolarHBondContact O-N 2.66Å; L307-E310 PolarHBondContact O-N 3.33Å; L307-E311 WeakPolarHBondContact O-CB 3.45Å; L307-E311 PolarHBondContact O-N 2.95Å |
| 308 | I | 89.5 | Confident | 87.1 | Confident | 88 Ų | 88 | 96 Ų | 96 | 45% | 0.451 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 175.5 | -68.8 | 166.2 | 0 | 0 | 0 | 111.2 | V304 T306 I312 | V304-I308 HydrophobicContact CG1-CD1 3.8Å; V304-I308 HydrophobicContact CG1-CG1 4.49Å; V304-I308 VanDerWaalsContact O-CG1 3.28Å; V304-I308 WeakPolarHBondContact O-CG1 3.2Å; V304-I308 PolarHBondContact O-N 3.43Å; T306-I308 VanDerWaalsContact C-N 3.34Å; T306-I308 PolarHBondContact O-N 2.94Å; I308-I312 HydrophobicContact CG2-CD1 3.86Å; I308-I312 WeakPolarHBondContact O-CB 3.42Å; I308-I312 WeakPolarHBondContact O-CD1 3.29Å; I308-I312 WeakPolarHBondContact O-CG1 3.36Å; I308-I312 PolarHBondContact O-N 3.5Å |
| 309 | R | 90.2 | Very high | 88 | Confident | 128 Ų | 128 | 92 Ų | 92 | 48% | 0.483 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.1 | -40.4 | 175.4 | -73.7 | 166.8 | -176.7 | 135.3 | -1 | 112 | L305 T306 L307 I312 I313 | L305-R309 WeakPolarHBondContact O-CD 3.4Å; L305-R309 WeakPolarHBondContact O-CG 3.46Å; L305-R309 PolarHBondContact O-N 3.29Å; L305-R309 VanDerWaalsContact O-N 3.15Å; T306-R309 WeakPolarHBondContact O-CB 3.21Å; T306-R309 PolarHBondContact O-N 3.48Å; L307-R309 VanDerWaalsContact C-N 3.32Å; L307-R309 PolarHBondContact O-N 2.66Å; R309-I312 PolarHBondContact O-N 2.89Å; R309-I313 WeakPolarHBondContact O-CB 3.44Å; R309-I313 WeakPolarHBondContact O-CD1 3.21Å; R309-I313 WeakPolarHBondContact O-CG1 3.4Å; R309-I313 PolarHBondContact O-N 2.96Å |
| 310 | E | 90.2 | Very high | 88.7 | Confident | 106 Ų | 106 | 92.8 Ų | 92.8 | 50% | 0.495 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66 | -42 | 176.9 | -72.5 | 172 | 177.8 | 0 | 0 | 111.5 | T306 L307 I313 T314 | T306-E310 HydrophobicContact CG2-CG 4.38Å; T306-E310 WeakPolarHBondContact CG2-OE1 3.47Å; T306-E310 WeakPolarHBondContact O-CG 3.41Å; T306-E310 PolarHBondContact O-N 2.81Å; L307-E310 PolarHBondContact O-N 3.33Å; E310-I313 PolarHBondContact O-N 3.41Å; E310-T314 PolarHBondContact O-N 2.99Å; E310-T314 PolarHBondContact O-OG1 3.39Å; E310-T314 VanDerWaalsContact O-OG1 3.05Å |
| 311 | E | 91.9 | Very high | 89.6 | Confident | 114 Ų | 114 | 91.5 Ų | 91.5 | 53% | 0.533 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 172 | -172.3 | 81.6 | -135.7 | 0 | 0 | 111.8 | L307 T314 K315 | L307-E311 WeakPolarHBondContact O-CB 3.45Å; L307-E311 PolarHBondContact O-N 2.95Å; E311-T314 WeakPolarHBondContact CA-OG1 3.3Å; E311-T314 PolarHBondContact O-OG1 3.38Å; E311-T314 VanDerWaalsContact O-OG1 3.05Å; E311-K315 VanDerWaalsContact O-CB 3.29Å; E311-K315 WeakPolarHBondContact O-CB 3.4Å; E311-K315 WeakPolarHBondContact O-CG 3.25Å; E311-K315 PolarHBondContact O-N 2.92Å; E311-K315 WeakPolarHBondContact OE1-CE 3.36Å |
| 312 | I | 91.6 | Very high | 90.3 | Very high | 98 Ų | 98 | 93.2 Ų | 93.2 | 50% | 0.503 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 173.8 | -72.4 | 164.7 | 0 | 0 | 0 | 110.6 | I308 R309 T314 K315 E316 | I308-I312 HydrophobicContact CG2-CD1 3.86Å; I308-I312 WeakPolarHBondContact O-CB 3.42Å; I308-I312 WeakPolarHBondContact O-CD1 3.29Å; I308-I312 WeakPolarHBondContact O-CG1 3.36Å; I308-I312 PolarHBondContact O-N 3.5Å; R309-I312 PolarHBondContact O-N 2.89Å; I312-T314 PolarHBondContact O-N 3.41Å; I312-K315 PolarHBondContact O-N 2.95Å; I312-E316 WeakPolarHBondContact O-CB 3.33Å; I312-E316 PolarHBondContact O-N 3.34Å |
| 313 | I | 93.4 | Very high | 91 | Very high | 106 Ų | 106 | 95 Ų | 95 | 54% | 0.544 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 179.8 | -70.9 | 162.7 | 0 | 0 | 0 | 111.1 | R309 E310 A317 | R309-I313 WeakPolarHBondContact O-CB 3.44Å; R309-I313 WeakPolarHBondContact O-CD1 3.21Å; R309-I313 WeakPolarHBondContact O-CG1 3.4Å; R309-I313 PolarHBondContact O-N 2.96Å; E310-I313 PolarHBondContact O-N 3.41Å; I313-A317 VanDerWaalsContact O-CB 3.3Å; I313-A317 WeakPolarHBondContact O-CB 3.25Å; I313-A317 PolarHBondContact O-N 2.69Å |
| 314 | T | 90.9 | Very high | 91.7 | Very high | 70 Ų | 70 | 99.7 Ų | 99.7 | 43% | 0.429 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.7 | -41.3 | 175.6 | 50.4 | 0 | 0 | 0 | 0 | 111.9 | E310 E311 I312 E316 A317 E318 | E310-T314 PolarHBondContact O-N 2.99Å; E310-T314 PolarHBondContact O-OG1 3.39Å; E310-T314 VanDerWaalsContact O-OG1 3.05Å; E311-T314 WeakPolarHBondContact CA-OG1 3.3Å; E311-T314 PolarHBondContact O-OG1 3.38Å; E311-T314 VanDerWaalsContact O-OG1 3.05Å; I312-T314 PolarHBondContact O-N 3.41Å; T314-E316 VanDerWaalsContact C-N 3.33Å; T314-E316 PolarHBondContact O-N 3.2Å; T314-A317 PolarHBondContact O-N 3.42Å; T314-E318 WeakPolarHBondContact O-CB 3.31Å; T314-E318 WeakPolarHBondContact O-CG 3.49Å; T314-E318 PolarHBondContact O-N 2.9Å |
| 315 | K | 92.9 | Very high | 92.1 | Very high | 97 Ų | 97 | 100.7 Ų | 100.7 | 42% | 0.422 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.2 | -36.5 | 173.9 | -70.4 | -72 | 155.5 | -142.8 | 0 | 112.7 | E311 I312 E318 T319 | E311-K315 VanDerWaalsContact O-CB 3.29Å; E311-K315 WeakPolarHBondContact O-CB 3.4Å; E311-K315 WeakPolarHBondContact O-CG 3.25Å; E311-K315 PolarHBondContact O-N 2.92Å; E311-K315 WeakPolarHBondContact OE1-CE 3.36Å; I312-K315 PolarHBondContact O-N 2.95Å; K315-E318 IonicContact NZ-OE1 3.52Å; K315-E318 IonicContact NZ-OE2 2.67Å; K315-E318 PolarHBondContact NZ-OE2 3.45Å; K315-T319 VanDerWaalsContact O-CB 3.29Å; K315-T319 WeakPolarHBondContact O-CB 3.5Å; K315-T319 PolarHBondContact O-N 3.13Å; K315-T319 PolarHBondContact O-OG1 3.04Å |
| 316 | E | 92.5 | Very high | 92.7 | Very high | 114 Ų | 114 | 104.8 Ų | 104.8 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.9 | -38.4 | 174.9 | -173.1 | 169.5 | -157.1 | 0 | 0 | 111.2 | I312 T314 T319 N320 | I312-E316 WeakPolarHBondContact O-CB 3.33Å; I312-E316 PolarHBondContact O-N 3.34Å; T314-E316 VanDerWaalsContact C-N 3.33Å; T314-E316 PolarHBondContact O-N 3.2Å; E316-T319 PolarHBondContact O-N 3.37Å; E316-N320 WeakPolarHBondContact O-CB 3.43Å; E316-N320 PolarHBondContact O-N 3.18Å; E316-N320 PolarHBondContact O-ND2 3.41Å |
| 317 | A | 91.9 | Very high | 93.1 | Very high | 59 Ų | 59 | 106.7 Ų | 106.7 | 49% | 0.488 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I313 T314 T319 N320 D321 | I313-A317 VanDerWaalsContact O-CB 3.3Å; I313-A317 WeakPolarHBondContact O-CB 3.25Å; I313-A317 PolarHBondContact O-N 2.69Å; T314-A317 PolarHBondContact O-N 3.42Å; A317-T319 PolarHBondContact O-N 3.35Å; A317-N320 PolarHBondContact O-N 2.91Å; A317-D321 PolarHBondContact O-N 3.48Å |
| 318 | E | 93.9 | Very high | 93.5 | Very high | 93 Ų | 93 | 106.5 Ų | 106.5 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.6 | -46 | 173 | -75.7 | 175.8 | 179.2 | 0 | 0 | 111.3 | T314 K315 N320 D321 W322 | T314-E318 WeakPolarHBondContact O-CB 3.31Å; T314-E318 WeakPolarHBondContact O-CG 3.49Å; T314-E318 PolarHBondContact O-N 2.9Å; K315-E318 IonicContact NZ-OE1 3.52Å; K315-E318 IonicContact NZ-OE2 2.67Å; K315-E318 PolarHBondContact NZ-OE2 3.45Å; E318-N320 VanDerWaalsContact C-N 3.34Å; E318-N320 PolarHBondContact O-N 2.94Å; E318-D321 PolarHBondContact O-N 2.87Å; E318-W322 PolarHBondContact O-N 3.23Å |
| 319 | T | 92.4 | Very high | 93.8 | Very high | 92 Ų | 92 | 105.7 Ų | 105.7 | 56% | 0.564 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.6 | -40.5 | 178.5 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | K315 E316 A317 K323 | K315-T319 VanDerWaalsContact O-CB 3.29Å; K315-T319 WeakPolarHBondContact O-CB 3.5Å; K315-T319 PolarHBondContact O-N 3.13Å; K315-T319 PolarHBondContact O-OG1 3.04Å; E316-T319 PolarHBondContact O-N 3.37Å; A317-T319 PolarHBondContact O-N 3.35Å; T319-K323 VanDerWaalsContact O-CB 3.25Å; T319-K323 WeakPolarHBondContact O-CB 3.39Å; T319-K323 PolarHBondContact O-N 2.89Å |
| 320 | N | 93.1 | Very high | 94.1 | Very high | 88 Ų | 88 | 103.7 Ų | 103.7 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.3 | -37 | 175.8 | -82.4 | -67.8 | 0 | 0 | 0 | 112.9 | E316 A317 E318 K323 K324 | E316-N320 WeakPolarHBondContact O-CB 3.43Å; E316-N320 PolarHBondContact O-N 3.18Å; E316-N320 PolarHBondContact O-ND2 3.41Å; A317-N320 PolarHBondContact O-N 2.91Å; E318-N320 VanDerWaalsContact C-N 3.34Å; E318-N320 PolarHBondContact O-N 2.94Å; N320-K323 PolarHBondContact O-N 3.49Å; N320-K324 WeakPolarHBondContact O-CB 3.45Å; N320-K324 PolarHBondContact O-N 3.2Å |
| 321 | D | 95.1 | Very high | 94.5 | Very high | 72 Ų | 72 | 104.1 Ų | 104.1 | 39% | 0.385 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.3 | -43 | 175.2 | -174.3 | 62.2 | 0 | 0 | 0 | 111.7 | A317 E318 K324 K325 | A317-D321 PolarHBondContact O-N 3.48Å; E318-D321 PolarHBondContact O-N 2.87Å; D321-K324 PolarHBondContact O-N 2.88Å; D321-K325 WeakPolarHBondContact O-CG 3.47Å; D321-K325 PolarHBondContact O-N 2.99Å; D321-K325 VanDerWaalsContact OD2-CE 3.25Å; D321-K325 WeakPolarHBondContact OD2-CE 3.49Å; D321-K325 IonicContact OD2-NZ 2.64Å; D321-K325 PolarHBondContact OD2-NZ 3.44Å |
| 322 | W | 96.6 | Very high | 94.7 | Very high | 176 Ų | 176 | 103.6 Ų | 103.6 | 67% | 0.667 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.4 | -42.3 | 171.9 | -77.9 | 117.9 | 0 | 0 | 0 | 112.6 | E318 K324 K325 Y326 | E318-W322 PolarHBondContact O-N 3.23Å; W322-K324 VanDerWaalsContact C-N 3.33Å; W322-K324 PolarHBondContact O-N 3.45Å; W322-K325 HydrophobicContact CE3-CD 4.18Å; W322-K325 HydrophobicContact CZ3-CD 4.3Å; W322-K325 PolarHBondContact O-N 3.35Å; W322-Y326 WeakPolarHBondContact O-CB 3.45Å; W322-Y326 PolarHBondContact O-N 2.87Å |
| 323 | K | 95.8 | Very high | 95 | Very high | 140 Ų | 140 | 102.2 Ų | 102.2 | 61% | 0.609 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.4 | -41.5 | 174.4 | -177.3 | 175.3 | -179.9 | 177.5 | 0 | 111.9 | T319 N320 Y326 E327 | T319-K323 VanDerWaalsContact O-CB 3.25Å; T319-K323 WeakPolarHBondContact O-CB 3.39Å; T319-K323 PolarHBondContact O-N 2.89Å; N320-K323 PolarHBondContact O-N 3.49Å; K323-Y326 PolarHBondContact O-N 3.09Å; K323-E327 PolarHBondContact O-N 3.15Å |
| 324 | K | 96.7 | Very high | 95.1 | Very high | 149 Ų | 149 | 99.8 Ų | 99.8 | 65% | 0.648 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.4 | -44.8 | 176.2 | -174 | -177.4 | 176.7 | -173.2 | 0 | 112 | N320 D321 W322 Y326 E327 Q328 | N320-K324 WeakPolarHBondContact O-CB 3.45Å; N320-K324 PolarHBondContact O-N 3.2Å; D321-K324 PolarHBondContact O-N 2.88Å; W322-K324 VanDerWaalsContact C-N 3.33Å; W322-K324 PolarHBondContact O-N 3.45Å; K324-Y326 VanDerWaalsContact C-N 3.34Å; K324-E327 PolarHBondContact O-N 3.09Å; K324-Q328 WeakPolarHBondContact O-CB 3.46Å; K324-Q328 PolarHBondContact O-N 2.7Å |
| 325 | K | 96 | Very high | 95.4 | Very high | 99 Ų | 99 | 100.7 Ų | 100.7 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 175.3 | -75.9 | 168.3 | 176.1 | 159.5 | 0 | 112.3 | D321 W322 C329 | D321-K325 WeakPolarHBondContact O-CG 3.47Å; D321-K325 PolarHBondContact O-N 2.99Å; D321-K325 VanDerWaalsContact OD2-CE 3.25Å; D321-K325 WeakPolarHBondContact OD2-CE 3.49Å; D321-K325 IonicContact OD2-NZ 2.64Å; D321-K325 PolarHBondContact OD2-NZ 3.44Å; W322-K325 HydrophobicContact CE3-CD 4.18Å; W322-K325 HydrophobicContact CZ3-CD 4.3Å; W322-K325 PolarHBondContact O-N 3.35Å; K325-C329 WeakPolarHBondContact O-CB 3.44Å; K325-C329 PolarHBondContact O-N 3.14Å |
| 326 | Y | 96.3 | Very high | 95.7 | Very high | 151 Ų | 151 | 102 Ų | 102 | 59% | 0.592 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.6 | -49.6 | 174.9 | 174.7 | -101.2 | 0 | 0 | 0 | 111.7 | W322 K323 K324 Q328 C329 K330 | W322-Y326 WeakPolarHBondContact O-CB 3.45Å; W322-Y326 PolarHBondContact O-N 2.87Å; K323-Y326 PolarHBondContact O-N 3.09Å; K324-Y326 VanDerWaalsContact C-N 3.34Å; Y326-Q328 VanDerWaalsContact C-N 3.31Å; Y326-Q328 PolarHBondContact O-N 2.93Å; Y326-C329 PolarHBondContact O-N 3.24Å; Y326-K330 HydrophobicContact CE1-CD 4.35Å; Y326-K330 VanDerWaalsContact O-CB 3.31Å; Y326-K330 WeakPolarHBondContact O-CB 3.35Å; Y326-K330 PolarHBondContact O-N 3.31Å |
| 327 | E | 96.6 | Very high | 95.9 | Very high | 90 Ų | 90 | 102.7 Ų | 102.7 | 42% | 0.421 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.9 | -36.1 | 179.5 | -158 | 67.4 | -138.9 | 0 | 0 | 111.9 | K323 K324 K330 Q331 | K323-E327 PolarHBondContact O-N 3.15Å; K324-E327 PolarHBondContact O-N 3.09Å; E327-K330 PolarHBondContact O-N 3.1Å; E327-K330 WeakPolarHBondContact OE1-CE 3.33Å; E327-K330 IonicContact OE1-NZ 2.69Å; E327-K330 PolarHBondContact OE1-NZ 3.06Å; E327-K330 IonicContact OE2-NZ 3.73Å; E327-Q331 WeakPolarHBondContact O-CB 3.43Å; E327-Q331 PolarHBondContact O-N 3.46Å |
| 328 | Q | 96.3 | Very high | 96.2 | Very high | 107 Ų | 107 | 106.2 Ų | 106.2 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -49.9 | 172.7 | -176.9 | -178.7 | -21.7 | 0 | 0 | 111.9 | K324 Y326 K330 Q331 E332 | K324-Q328 WeakPolarHBondContact O-CB 3.46Å; K324-Q328 PolarHBondContact O-N 2.7Å; Y326-Q328 VanDerWaalsContact C-N 3.31Å; Y326-Q328 PolarHBondContact O-N 2.93Å; Q328-K330 VanDerWaalsContact C-N 3.29Å; Q328-K330 PolarHBondContact O-N 3.36Å; Q328-Q331 WeakPolarHBondContact O-CB 3.34Å; Q328-Q331 PolarHBondContact O-N 3.37Å; Q328-Q331 VanDerWaalsContact O-N 3.13Å; Q328-E332 WeakPolarHBondContact CG-OE1 3.35Å; Q328-E332 PolarHBondContact NE2-OE1 2.95Å; Q328-E332 WeakPolarHBondContact O-CG 3.21Å; Q328-E332 PolarHBondContact O-N 2.84Å |
| 329 | C | 96 | Very high | 96.4 | Very high | 71 Ų | 71 | 106.1 Ų | 106.1 | 48% | 0.48 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.3 | -41 | 177.4 | -179.4 | 0 | 0 | 0 | 0 | 111.8 | K325 Y326 E332 V333 | K325-C329 WeakPolarHBondContact O-CB 3.44Å; K325-C329 PolarHBondContact O-N 3.14Å; Y326-C329 PolarHBondContact O-N 3.24Å; C329-E332 PolarHBondContact O-N 2.92Å; C329-V333 WeakPolarHBondContact O-CG2 3.34Å; C329-V333 PolarHBondContact O-N 3.04Å |
| 330 | K | 96.7 | Very high | 96.7 | Very high | 86 Ų | 86 | 104.9 Ų | 104.9 | 37% | 0.374 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 174.2 | 176.1 | -176.5 | 160.5 | -150.5 | 0 | 111.8 | Y326 E327 Q328 V333 D334 | Y326-K330 HydrophobicContact CE1-CD 4.35Å; Y326-K330 VanDerWaalsContact O-CB 3.31Å; Y326-K330 WeakPolarHBondContact O-CB 3.35Å; Y326-K330 PolarHBondContact O-N 3.31Å; E327-K330 PolarHBondContact O-N 3.1Å; E327-K330 WeakPolarHBondContact OE1-CE 3.33Å; E327-K330 IonicContact OE1-NZ 2.69Å; E327-K330 PolarHBondContact OE1-NZ 3.06Å; E327-K330 IonicContact OE2-NZ 3.73Å; Q328-K330 VanDerWaalsContact C-N 3.29Å; Q328-K330 PolarHBondContact O-N 3.36Å; K330-V333 PolarHBondContact O-N 3.4Å; K330-D334 PolarHBondContact O-N 2.99Å |
| 331 | Q | 97.6 | Very high | 96.9 | Very high | 114 Ų | 114 | 102.9 Ų | 102.9 | 53% | 0.533 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 175.2 | -175.3 | 179.7 | -20.8 | 0 | 0 | 112 | E327 Q328 V333 D334 E335 | E327-Q331 WeakPolarHBondContact O-CB 3.43Å; E327-Q331 PolarHBondContact O-N 3.46Å; Q328-Q331 WeakPolarHBondContact O-CB 3.34Å; Q328-Q331 PolarHBondContact O-N 3.37Å; Q328-Q331 VanDerWaalsContact O-N 3.13Å; Q331-V333 VanDerWaalsContact C-N 3.33Å; Q331-V333 PolarHBondContact O-N 2.93Å; Q331-D334 PolarHBondContact O-N 3.28Å; Q331-E335 PolarHBondContact NE2-OE1 3.45Å; Q331-E335 WeakPolarHBondContact O-CG 3.35Å; Q331-E335 PolarHBondContact O-N 3.02Å |
| 332 | E | 96.5 | Very high | 97 | Very high | 103 Ų | 103 | 104.4 Ų | 104.4 | 48% | 0.481 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 176.4 | -70.4 | 169.9 | -164.2 | 0 | 0 | 111.7 | Q328 C329 E335 M336 | Q328-E332 WeakPolarHBondContact CG-OE1 3.35Å; Q328-E332 PolarHBondContact NE2-OE1 2.95Å; Q328-E332 WeakPolarHBondContact O-CG 3.21Å; Q328-E332 PolarHBondContact O-N 2.84Å; C329-E332 PolarHBondContact O-N 2.92Å; E332-E335 PolarHBondContact O-N 3.32Å; E332-M336 PolarHBondContact O-N 3.43Å |
| 333 | V | 97.4 | Very high | 97.1 | Very high | 70 Ų | 70 | 103.2 Ų | 103.2 | 42% | 0.424 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 173.5 | 169.5 | 0 | 0 | 0 | 0 | 112.1 | C329 K330 Q331 E335 M336 R337 | C329-V333 WeakPolarHBondContact O-CG2 3.34Å; C329-V333 PolarHBondContact O-N 3.04Å; K330-V333 PolarHBondContact O-N 3.4Å; Q331-V333 VanDerWaalsContact C-N 3.33Å; Q331-V333 PolarHBondContact O-N 2.93Å; V333-E335 VanDerWaalsContact C-N 3.33Å; V333-M336 PolarHBondContact O-N 3.48Å; V333-R337 WeakPolarHBondContact O-CB 3.45Å; V333-R337 PolarHBondContact O-N 2.69Å |
| 334 | D | 96.6 | Very high | 97.2 | Very high | 55 Ų | 55 | 102.5 Ų | 102.5 | 29% | 0.294 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.7 | -33.3 | 176.3 | -73.7 | -16.8 | 0 | 0 | 0 | 112.1 | K330 Q331 R337 K338 | K330-D334 PolarHBondContact O-N 2.99Å; Q331-D334 PolarHBondContact O-N 3.28Å; D334-R337 IonicContact OD1-CZ 3.48Å; D334-R337 IonicContact OD1-NH1 2.66Å; D334-R337 PolarHBondContact OD1-NH1 2.81Å; D334-R337 IonicContact OD1-NH2 3.48Å; D334-R337 PolarHBondContact OD1-NH2 2.8Å; D334-K338 WeakPolarHBondContact O-CG 3.27Å; D334-K338 PolarHBondContact O-N 2.8Å |
| 335 | E | 97 | Very high | 97.2 | Very high | 89 Ų | 89 | 101.2 Ų | 101.2 | 42% | 0.416 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.7 | -44.3 | 171.7 | -73.5 | 174.9 | -165.3 | 0 | 0 | 111.6 | Q331 E332 V333 R337 K338 I339 | Q331-E335 PolarHBondContact NE2-OE1 3.45Å; Q331-E335 WeakPolarHBondContact O-CG 3.35Å; Q331-E335 PolarHBondContact O-N 3.02Å; E332-E335 PolarHBondContact O-N 3.32Å; V333-E335 VanDerWaalsContact C-N 3.33Å; E335-R337 VanDerWaalsContact C-N 3.31Å; E335-R337 PolarHBondContact O-N 2.91Å; E335-K338 PolarHBondContact O-N 3.45Å; E335-I339 WeakPolarHBondContact O-CG1 3.34Å; E335-I339 PolarHBondContact O-N 2.96Å; E335-I339 VanDerWaalsContact O-N 3.14Å |
| 336 | M | 97.7 | Very high | 97.3 | Very high | 124 Ų | 124 | 100.5 Ų | 100.5 | 61% | 0.611 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -57.2 | -43.7 | 171.9 | -165.6 | 77.7 | 71.1 | 0 | 0 | 111.7 | E332 V333 K338 I339 V340 | E332-M336 PolarHBondContact O-N 3.43Å; V333-M336 PolarHBondContact O-N 3.48Å; M336-K338 VanDerWaalsContact C-N 3.34Å; M336-K338 PolarHBondContact O-N 2.98Å; M336-I339 PolarHBondContact O-N 3.49Å; M336-V340 WeakPolarHBondContact O-CG2 3.42Å; M336-V340 PolarHBondContact O-N 2.86Å |
| 337 | R | 97.6 | Very high | 97.4 | Very high | 128 Ų | 128 | 97.7 Ų | 97.7 | 48% | 0.483 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 179.6 | -161.2 | -175.3 | -58.8 | 112.1 | 4.4 | 112.2 | V333 D334 E335 A341 | V333-R337 WeakPolarHBondContact O-CB 3.45Å; V333-R337 PolarHBondContact O-N 2.69Å; D334-R337 IonicContact OD1-CZ 3.48Å; D334-R337 IonicContact OD1-NH1 2.66Å; D334-R337 PolarHBondContact OD1-NH1 2.81Å; D334-R337 IonicContact OD1-NH2 3.48Å; D334-R337 PolarHBondContact OD1-NH2 2.8Å; E335-R337 VanDerWaalsContact C-N 3.31Å; E335-R337 PolarHBondContact O-N 2.91Å; R337-A341 WeakPolarHBondContact O-CB 3.38Å; R337-A341 PolarHBondContact O-N 3.34Å |
| 338 | K | 98.3 | Very high | 97.5 | Very high | 133 Ų | 133 | 96.2 Ų | 96.2 | 58% | 0.578 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.6 | -43.9 | 173.4 | -69.6 | 162.7 | -169.1 | 161.7 | 0 | 111.7 | D334 E335 M336 A341 E342 | D334-K338 WeakPolarHBondContact O-CG 3.27Å; D334-K338 PolarHBondContact O-N 2.8Å; E335-K338 PolarHBondContact O-N 3.45Å; M336-K338 VanDerWaalsContact C-N 3.34Å; M336-K338 PolarHBondContact O-N 2.98Å; K338-A341 PolarHBondContact O-N 2.8Å; K338-E342 PolarHBondContact O-N 3.46Å; K338-E342 VanDerWaalsContact O-N 3.1Å |
| 339 | I | 97.9 | Very high | 97.6 | Very high | 91 Ų | 91 | 95.5 Ų | 95.5 | 47% | 0.467 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 178.9 | -67.4 | 167.8 | 0 | 0 | 0 | 110.6 | E335 M336 E342 Y343 | E335-I339 WeakPolarHBondContact O-CG1 3.34Å; E335-I339 PolarHBondContact O-N 2.96Å; E335-I339 VanDerWaalsContact O-N 3.14Å; M336-I339 PolarHBondContact O-N 3.49Å; I339-E342 PolarHBondContact O-N 2.91Å; I339-Y343 HydrophobicContact CG2-CD2 3.74Å; I339-Y343 HydrophobicContact CG2-CE2 3.43Å; I339-Y343 VanDerWaalsContact CG2-CE2 3.43Å; I339-Y343 WeakPolarHBondContact O-CD2 3.39Å; I339-Y343 PolarHBondContact O-N 2.98Å; I339-Y343 VanDerWaalsContact O-N 3.09Å |
| 340 | V | 98.3 | Very high | 97.7 | Very high | 67 Ų | 67 | 97.9 Ų | 97.9 | 41% | 0.406 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60 | -46.5 | 176 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | M336 E342 Y343 E344 | M336-V340 WeakPolarHBondContact O-CG2 3.42Å; M336-V340 PolarHBondContact O-N 2.86Å; V340-E342 VanDerWaalsContact C-N 3.33Å; V340-E342 PolarHBondContact O-N 3.47Å; V340-Y343 PolarHBondContact O-N 2.93Å; V340-Y343 VanDerWaalsContact O-N 3.09Å; V340-E344 HydrophobicContact CG1-CG 4.23Å; V340-E344 WeakPolarHBondContact O-CG 3.28Å; V340-E344 PolarHBondContact O-N 3.35Å |
| 341 | A | 97.8 | Very high | 97.7 | Very high | 46 Ų | 46 | 98.4 Ų | 98.4 | 38% | 0.38 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.9 | -37.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R337 K338 K345 | R337-A341 WeakPolarHBondContact O-CB 3.38Å; R337-A341 PolarHBondContact O-N 3.34Å; K338-A341 PolarHBondContact O-N 2.8Å; A341-K345 VanDerWaalsContact O-CB 3.27Å; A341-K345 WeakPolarHBondContact O-CB 3.41Å; A341-K345 PolarHBondContact O-N 3.43Å |
| 342 | E | 97.6 | Very high | 97.7 | Very high | 103 Ų | 103 | 98.1 Ų | 98.1 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.5 | -32.4 | 174.5 | -69.4 | -61.8 | 147.8 | 0 | 0 | 112.4 | K338 I339 V340 K345 T346 | K338-E342 PolarHBondContact O-N 3.46Å; K338-E342 VanDerWaalsContact O-N 3.1Å; I339-E342 PolarHBondContact O-N 2.91Å; V340-E342 VanDerWaalsContact C-N 3.33Å; V340-E342 PolarHBondContact O-N 3.47Å; E342-K345 IonicContact OE1-NZ 3.13Å; E342-K345 PolarHBondContact OE1-NZ 3.46Å; E342-K345 IonicContact OE2-NZ 2.97Å; E342-K345 PolarHBondContact OE2-NZ 3.37Å; E342-T346 WeakPolarHBondContact O-CB 3.42Å; E342-T346 PolarHBondContact O-N 3.28Å; E342-T346 PolarHBondContact O-OG1 2.83Å |
| 343 | Y | 98.1 | Very high | 97.7 | Very high | 152 Ų | 152 | 96.4 Ų | 96.4 | 60% | 0.596 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -68 | -44.8 | 171.2 | -78.5 | -59.1 | 0 | 0 | 0 | 112.5 | I339 V340 K345 T346 I347 | I339-Y343 HydrophobicContact CG2-CD2 3.74Å; I339-Y343 HydrophobicContact CG2-CE2 3.43Å; I339-Y343 VanDerWaalsContact CG2-CE2 3.43Å; I339-Y343 WeakPolarHBondContact O-CD2 3.39Å; I339-Y343 PolarHBondContact O-N 2.98Å; I339-Y343 VanDerWaalsContact O-N 3.09Å; V340-Y343 PolarHBondContact O-N 2.93Å; V340-Y343 VanDerWaalsContact O-N 3.09Å; Y343-K345 VanDerWaalsContact C-N 3.32Å; Y343-K345 PolarHBondContact O-N 3.33Å; Y343-T346 PolarHBondContact O-N 2.68Å; Y343-T346 VanDerWaalsContact O-N 3.15Å; Y343-I347 WeakPolarHBondContact O-CG1 3.33Å; Y343-I347 PolarHBondContact O-N 3.14Å |
| 344 | E | 97.4 | Very high | 97.7 | Very high | 125 Ų | 125 | 99.9 Ų | 99.9 | 58% | 0.584 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -56.9 | -47.2 | 175.3 | -73.3 | 174.7 | 168.9 | 0 | 0 | 111 | V340 T346 I347 A348 | V340-E344 HydrophobicContact CG1-CG 4.23Å; V340-E344 WeakPolarHBondContact O-CG 3.28Å; V340-E344 PolarHBondContact O-N 3.35Å; E344-T346 PolarHBondContact O-N 2.88Å; E344-I347 PolarHBondContact O-N 2.96Å; E344-A348 WeakPolarHBondContact O-CB 3.13Å; E344-A348 PolarHBondContact O-N 3.43Å |
| 345 | K | 98.3 | Very high | 97.7 | Very high | 121 Ų | 121 | 103.5 Ų | 103.5 | 53% | 0.526 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | 174.3 | 176.7 | 179 | 159.8 | -151.3 | 0 | 112.8 | A341 E342 Y343 A348 Q349 | A341-K345 VanDerWaalsContact O-CB 3.27Å; A341-K345 WeakPolarHBondContact O-CB 3.41Å; A341-K345 PolarHBondContact O-N 3.43Å; E342-K345 IonicContact OE1-NZ 3.13Å; E342-K345 PolarHBondContact OE1-NZ 3.46Å; E342-K345 IonicContact OE2-NZ 2.97Å; E342-K345 PolarHBondContact OE2-NZ 3.37Å; Y343-K345 VanDerWaalsContact C-N 3.32Å; Y343-K345 PolarHBondContact O-N 3.33Å; K345-A348 PolarHBondContact O-N 2.95Å; K345-Q349 WeakPolarHBondContact O-CB 3.46Å; K345-Q349 PolarHBondContact O-N 2.73Å |
| 346 | T | 98.2 | Very high | 97.8 | Very high | 85 Ų | 85 | 104.2 Ų | 104.2 | 52% | 0.521 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 177.2 | -59 | 0 | 0 | 0 | 0 | 111.4 | E342 Y343 E344 Q349 M350 | E342-T346 WeakPolarHBondContact O-CB 3.42Å; E342-T346 PolarHBondContact O-N 3.28Å; E342-T346 PolarHBondContact O-OG1 2.83Å; Y343-T346 PolarHBondContact O-N 2.68Å; Y343-T346 VanDerWaalsContact O-N 3.15Å; E344-T346 PolarHBondContact O-N 2.88Å; T346-Q349 PolarHBondContact O-N 3.34Å; T346-M350 WeakPolarHBondContact O-CB 3.28Å; T346-M350 PolarHBondContact O-N 3.49Å |
| 347 | I | 98.1 | Very high | 97.8 | Very high | 92 Ų | 92 | 103.6 Ų | 103.6 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.6 | -45.5 | 177.1 | -67.3 | 164.3 | 0 | 0 | 0 | 110.5 | Y343 E344 Q349 M350 I351 | Y343-I347 WeakPolarHBondContact O-CG1 3.33Å; Y343-I347 PolarHBondContact O-N 3.14Å; E344-I347 PolarHBondContact O-N 2.96Å; I347-Q349 VanDerWaalsContact C-N 3.35Å; I347-Q349 PolarHBondContact O-N 3.34Å; I347-M350 PolarHBondContact O-N 2.87Å; I347-I351 HydrophobicContact CG2-CD1 3.89Å; I347-I351 WeakPolarHBondContact O-CG1 3.49Å; I347-I351 PolarHBondContact O-N 3.24Å |
| 348 | A | 98.1 | Very high | 97.8 | Very high | 59 Ų | 59 | 101.1 Ų | 101.1 | 49% | 0.488 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.8 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | E344 K345 I351 E352 | E344-A348 WeakPolarHBondContact O-CB 3.13Å; E344-A348 PolarHBondContact O-N 3.43Å; K345-A348 PolarHBondContact O-N 2.95Å; A348-I351 PolarHBondContact O-N 3.35Å; A348-E352 PolarHBondContact O-N 3.26Å |
| 349 | Q | 97.9 | Very high | 97.8 | Very high | 91 Ų | 91 | 97.6 Ų | 97.6 | 43% | 0.425 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 175 | -171.4 | 64.7 | 62.9 | 0 | 0 | 111.5 | K345 T346 I347 I351 E352 D353 | K345-Q349 WeakPolarHBondContact O-CB 3.46Å; K345-Q349 PolarHBondContact O-N 2.73Å; T346-Q349 PolarHBondContact O-N 3.34Å; I347-Q349 VanDerWaalsContact C-N 3.35Å; I347-Q349 PolarHBondContact O-N 3.34Å; Q349-I351 PolarHBondContact O-N 2.9Å; Q349-E352 PolarHBondContact O-N 3.13Å; Q349-D353 PolarHBondContact NE2-OD1 3.2Å; Q349-D353 VanDerWaalsContact O-CB 3.28Å; Q349-D353 WeakPolarHBondContact O-CB 3.17Å; Q349-D353 PolarHBondContact O-N 2.96Å |
| 350 | M | 97.8 | Very high | 97.8 | Very high | 121 Ų | 121 | 97 Ų | 97 | 60% | 0.596 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.1 | -39.7 | -179.8 | -170.7 | 174.7 | 69.3 | 0 | 0 | 112.3 | T346 I347 D353 E354 | T346-M350 WeakPolarHBondContact O-CB 3.28Å; T346-M350 PolarHBondContact O-N 3.49Å; I347-M350 PolarHBondContact O-N 2.87Å; M350-D353 PolarHBondContact O-N 2.95Å; M350-E354 WeakPolarHBondContact O-CB 3.32Å; M350-E354 PolarHBondContact O-N 2.97Å |
| 351 | I | 96.9 | Very high | 97.7 | Very high | 98 Ų | 98 | 100.5 Ų | 100.5 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -46.4 | 174.7 | -66.7 | 165.4 | 0 | 0 | 0 | 110.8 | I347 A348 Q349 D353 E354 Q355 | I347-I351 HydrophobicContact CG2-CD1 3.89Å; I347-I351 WeakPolarHBondContact O-CG1 3.49Å; I347-I351 PolarHBondContact O-N 3.24Å; A348-I351 PolarHBondContact O-N 3.35Å; Q349-I351 PolarHBondContact O-N 2.9Å; I351-D353 VanDerWaalsContact C-N 3.3Å; I351-D353 PolarHBondContact O-N 2.91Å; I351-E354 PolarHBondContact O-N 3.3Å; I351-Q355 WeakPolarHBondContact O-CB 3.46Å; I351-Q355 PolarHBondContact O-N 2.93Å |
| 352 | E | 97.4 | Very high | 97.8 | Very high | 108 Ų | 108 | 104.7 Ų | 104.7 | 51% | 0.505 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65 | -37.2 | 178.7 | -158.5 | -167.8 | -134.5 | 0 | 0 | 111.2 | A348 Q349 R356 | A348-E352 PolarHBondContact O-N 3.26Å; Q349-E352 PolarHBondContact O-N 3.13Å; E352-R356 WeakPolarHBondContact O-CB 3.4Å; E352-R356 PolarHBondContact O-N 3.15Å; E352-R356 IonicContact OE2-CZ 3.31Å; E352-R356 IonicContact OE2-NH2 3.28Å; E352-R356 PolarHBondContact OE2-NH2 3.44Å |
| 353 | D | 97.7 | Very high | 97.8 | Very high | 66 Ų | 66 | 106 Ų | 106 | 35% | 0.353 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66 | -45 | 176.1 | -70.9 | -7.7 | 0 | 0 | 0 | 112.2 | Q349 M350 I351 R356 N357 | Q349-D353 PolarHBondContact NE2-OD1 3.2Å; Q349-D353 VanDerWaalsContact O-CB 3.28Å; Q349-D353 WeakPolarHBondContact O-CB 3.17Å; Q349-D353 PolarHBondContact O-N 2.96Å; M350-D353 PolarHBondContact O-N 2.95Å; I351-D353 VanDerWaalsContact C-N 3.3Å; I351-D353 PolarHBondContact O-N 2.91Å; D353-R356 PolarHBondContact O-N 3.49Å; D353-R356 IonicContact OD1-CZ 3.81Å; D353-R356 VanDerWaalsContact OD1-CZ 3.28Å; D353-R356 IonicContact OD1-NH1 2.91Å; D353-R356 PolarHBondContact OD1-NH1 3.18Å; D353-R356 IonicContact OD1-NH2 2.69Å; D353-R356 PolarHBondContact OD1-NH2 3.44Å; D353-N357 WeakPolarHBondContact O-CB 3.36Å; D353-N357 PolarHBondContact O-N 3.05Å |
| 354 | E | 97.4 | Very high | 97.8 | Very high | 143 Ų | 143 | 101.7 Ų | 101.7 | 67% | 0.668 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62 | -45.9 | 174.8 | -176.6 | 172.3 | -158.7 | 0 | 0 | 111.4 | M350 I351 N357 S358 | M350-E354 WeakPolarHBondContact O-CB 3.32Å; M350-E354 PolarHBondContact O-N 2.97Å; I351-E354 PolarHBondContact O-N 3.3Å; E354-N357 PolarHBondContact O-N 2.88Å; E354-S358 WeakPolarHBondContact O-CB 3.44Å; E354-S358 PolarHBondContact O-N 2.89Å |
| 355 | Q | 97.2 | Very high | 97.8 | Very high | 132 Ų | 132 | 100.2 Ų | 100.2 | 62% | 0.617 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.6 | -41.6 | 179.2 | -166.3 | 172 | 21.1 | 0 | 0 | 111.8 | I351 S358 V359 | I351-Q355 WeakPolarHBondContact O-CB 3.46Å; I351-Q355 PolarHBondContact O-N 2.93Å; Q355-S358 PolarHBondContact O-N 2.78Å; Q355-V359 WeakPolarHBondContact O-CG2 3.41Å; Q355-V359 PolarHBondContact O-N 3.27Å |
| 356 | R | 97.8 | Very high | 97.9 | Very high | 103 Ų | 103 | 100.3 Ų | 100.3 | 39% | 0.389 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 175.5 | -161.4 | -176.7 | -38.8 | 99.3 | 0.2 | 111.3 | E352 D353 N360 | E352-R356 WeakPolarHBondContact O-CB 3.4Å; E352-R356 PolarHBondContact O-N 3.15Å; E352-R356 IonicContact OE2-CZ 3.31Å; E352-R356 IonicContact OE2-NH2 3.28Å; E352-R356 PolarHBondContact OE2-NH2 3.44Å; D353-R356 PolarHBondContact O-N 3.49Å; D353-R356 IonicContact OD1-CZ 3.81Å; D353-R356 VanDerWaalsContact OD1-CZ 3.28Å; D353-R356 IonicContact OD1-NH1 2.91Å; D353-R356 PolarHBondContact OD1-NH1 3.18Å; D353-R356 IonicContact OD1-NH2 2.69Å; D353-R356 PolarHBondContact OD1-NH2 3.44Å; R356-N360 WeakPolarHBondContact O-CB 3.43Å; R356-N360 PolarHBondContact O-N 3Å; R356-N360 PolarHBondContact O-ND2 2.95Å |
| 357 | N | 97.3 | Very high | 97.9 | Very high | 112 Ų | 112 | 99 Ų | 99 | 60% | 0.599 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.6 | -40.5 | 177.4 | -165.4 | 36.9 | 0 | 0 | 0 | 111.7 | D353 E354 N360 F361 | D353-N357 WeakPolarHBondContact O-CB 3.36Å; D353-N357 PolarHBondContact O-N 3.05Å; E354-N357 PolarHBondContact O-N 2.88Å; N357-N360 PolarHBondContact O-N 2.97Å; N357-F361 WeakPolarHBondContact O-CB 3.42Å; N357-F361 PolarHBondContact O-N 3.02Å |
| 358 | S | 97.9 | Very high | 97.9 | Very high | 76 Ų | 76 | 97.2 Ų | 97.2 | 53% | 0.531 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59 | -48.7 | 173.6 | 179.9 | 0 | 0 | 0 | 0 | 112.1 | E354 Q355 N360 F361 Q362 | E354-S358 WeakPolarHBondContact O-CB 3.44Å; E354-S358 PolarHBondContact O-N 2.89Å; Q355-S358 PolarHBondContact O-N 2.78Å; S358-N360 PolarHBondContact O-N 3.48Å; S358-F361 PolarHBondContact O-N 2.94Å; S358-Q362 WeakPolarHBondContact O-CB 3.28Å; S358-Q362 PolarHBondContact O-N 3.37Å |
| 359 | V | 97.8 | Very high | 97.9 | Very high | 58 Ų | 58 | 96.8 Ų | 96.8 | 35% | 0.352 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | 175.8 | 171.2 | 0 | 0 | 0 | 0 | 111.9 | Q355 Q362 K363 | Q355-V359 WeakPolarHBondContact O-CG2 3.41Å; Q355-V359 PolarHBondContact O-N 3.27Å; V359-Q362 PolarHBondContact O-N 3.3Å; V359-K363 HydrophobicContact CG1-CD 4.16Å; V359-K363 WeakPolarHBondContact O-CB 3.21Å; V359-K363 VanDerWaalsContact O-CG 3.28Å; V359-K363 WeakPolarHBondContact O-CG 3.43Å; V359-K363 PolarHBondContact O-N 3.05Å |
| 360 | N | 97.9 | Very high | 97.9 | Very high | 80 Ų | 80 | 96.2 Ų | 96.2 | 43% | 0.428 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 176.7 | -73 | -15.3 | 0 | 0 | 0 | 112 | R356 N357 S358 K363 A364 | R356-N360 WeakPolarHBondContact O-CB 3.43Å; R356-N360 PolarHBondContact O-N 3Å; R356-N360 PolarHBondContact O-ND2 2.95Å; N357-N360 PolarHBondContact O-N 2.97Å; S358-N360 PolarHBondContact O-N 3.48Å; N360-K363 PolarHBondContact O-N 2.75Å; N360-A364 WeakPolarHBondContact O-CB 3.37Å; N360-A364 PolarHBondContact O-N 2.99Å |
| 361 | F | 97.9 | Very high | 98 | Very high | 140 Ų | 140 | 97.3 Ų | 97.3 | 61% | 0.614 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.2 | -45.4 | 173.8 | -179 | -94.9 | 0 | 0 | 0 | 111.4 | N357 S358 K363 A364 L365 | N357-F361 WeakPolarHBondContact O-CB 3.42Å; N357-F361 PolarHBondContact O-N 3.02Å; S358-F361 PolarHBondContact O-N 2.94Å; F361-K363 VanDerWaalsContact C-N 3.34Å; F361-K363 PolarHBondContact O-N 2.96Å; F361-A364 PolarHBondContact O-N 3.4Å; F361-L365 HydrophobicContact CE1-CD1 3.95Å; F361-L365 HydrophobicContact CZ-CD1 4.3Å; F361-L365 WeakPolarHBondContact O-CB 3.47Å; F361-L365 PolarHBondContact O-N 3.36Å |
| 362 | Q | 98.2 | Very high | 98.1 | Very high | 133 Ų | 133 | 97.5 Ų | 97.5 | 62% | 0.621 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.3 | -41.2 | 176.7 | -167.5 | -178.1 | 28 | 0 | 0 | 112 | S358 V359 H366 | S358-Q362 WeakPolarHBondContact O-CB 3.28Å; S358-Q362 PolarHBondContact O-N 3.37Å; V359-Q362 PolarHBondContact O-N 3.3Å; Q362-H366 WeakPolarHBondContact O-CB 3.5Å; Q362-H366 PolarHBondContact O-N 3.05Å |
| 363 | K | 98.3 | Very high | 98.1 | Very high | 132 Ų | 132 | 95.4 Ų | 95.4 | 57% | 0.574 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.3 | -45.2 | 173.8 | -74.6 | 169.1 | -178.2 | 171.7 | 0 | 112.2 | V359 N360 F361 H366 A367 | V359-K363 HydrophobicContact CG1-CD 4.16Å; V359-K363 WeakPolarHBondContact O-CB 3.21Å; V359-K363 VanDerWaalsContact O-CG 3.28Å; V359-K363 WeakPolarHBondContact O-CG 3.43Å; V359-K363 PolarHBondContact O-N 3.05Å; N360-K363 PolarHBondContact O-N 2.75Å; F361-K363 VanDerWaalsContact C-N 3.34Å; F361-K363 PolarHBondContact O-N 2.96Å; K363-H366 PolarHBondContact O-N 3.37Å; K363-A367 WeakPolarHBondContact O-CB 3.44Å; K363-A367 PolarHBondContact O-N 2.9Å |
| 364 | A | 98.3 | Very high | 98.2 | Very high | 60 Ų | 60 | 94.6 Ų | 94.6 | 50% | 0.496 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N360 F361 A367 A368 | N360-A364 WeakPolarHBondContact O-CB 3.37Å; N360-A364 PolarHBondContact O-N 2.99Å; F361-A364 PolarHBondContact O-N 3.4Å; A364-A367 PolarHBondContact O-N 3.14Å; A364-A368 WeakPolarHBondContact O-CB 3.46Å; A364-A368 PolarHBondContact O-N 3.25Å |
| 365 | L | 98.4 | Very high | 98.2 | Very high | 94 Ų | 94 | 90.6 Ų | 90.6 | 49% | 0.492 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 175.4 | -174.2 | 153.2 | 0 | 0 | 0 | 111.6 | F361 T369 | F361-L365 HydrophobicContact CE1-CD1 3.95Å; F361-L365 HydrophobicContact CZ-CD1 4.3Å; F361-L365 WeakPolarHBondContact O-CB 3.47Å; F361-L365 PolarHBondContact O-N 3.36Å; L365-T369 WeakPolarHBondContact O-CB 3.22Å; L365-T369 PolarHBondContact O-N 2.68Å; L365-T369 PolarHBondContact O-OG1 2.89Å |
| 366 | H | 98.6 | Very high | 98.3 | Very high | 123 Ų | 123 | 88 Ų | 88 | 57% | 0.569 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.5 | -45.5 | 175.4 | -176.4 | 61.3 | 0 | 0 | 0 | 111.9 | Q362 K363 A368 T369 V370 | Q362-H366 WeakPolarHBondContact O-CB 3.5Å; Q362-H366 PolarHBondContact O-N 3.05Å; K363-H366 PolarHBondContact O-N 3.37Å; H366-A368 PolarHBondContact O-N 3.38Å; H366-T369 WeakPolarHBondContact O-CB 3.39Å; H366-T369 PolarHBondContact O-N 3.37Å; H366-T369 VanDerWaalsContact O-N 3.14Å; H366-V370 WeakPolarHBondContact O-CG2 3.42Å; H366-V370 PolarHBondContact O-N 3.42Å |
| 367 | A | 98.5 | Very high | 98.3 | Very high | 57 Ų | 57 | 85.9 Ų | 85.9 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.8 | -48.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K363 A364 T369 V370 E371 | K363-A367 WeakPolarHBondContact O-CB 3.44Å; K363-A367 PolarHBondContact O-N 2.9Å; A364-A367 PolarHBondContact O-N 3.14Å; A367-T369 VanDerWaalsContact C-N 3.27Å; A367-T369 PolarHBondContact O-N 2.67Å; A367-V370 PolarHBondContact O-N 2.94Å; A367-E371 PolarHBondContact O-N 3.18Å |
| 368 | A | 98.5 | Very high | 98.4 | Very high | 55 Ų | 55 | 85.8 Ų | 85.8 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.1 | -33.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A364 H366 K372 | A364-A368 WeakPolarHBondContact O-CB 3.46Å; A364-A368 PolarHBondContact O-N 3.25Å; H366-A368 PolarHBondContact O-N 3.38Å; A368-K372 WeakPolarHBondContact O-CB 3.45Å; A368-K372 PolarHBondContact O-N 2.83Å |
| 369 | T | 98.4 | Very high | 98.4 | Very high | 51 Ų | 51 | 86.3 Ų | 86.3 | 31% | 0.313 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67 | -43.3 | 175 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | L365 H366 A367 K372 D373 | L365-T369 WeakPolarHBondContact O-CB 3.22Å; L365-T369 PolarHBondContact O-N 2.68Å; L365-T369 PolarHBondContact O-OG1 2.89Å; H366-T369 WeakPolarHBondContact O-CB 3.39Å; H366-T369 PolarHBondContact O-N 3.37Å; H366-T369 VanDerWaalsContact O-N 3.14Å; A367-T369 VanDerWaalsContact C-N 3.27Å; A367-T369 PolarHBondContact O-N 2.67Å; T369-K372 PolarHBondContact O-N 2.78Å; T369-D373 WeakPolarHBondContact O-CB 3.39Å; T369-D373 PolarHBondContact O-N 2.86Å |
| 370 | V | 98.6 | Very high | 98.5 | Very high | 79 Ų | 79 | 86.6 Ų | 86.6 | 48% | 0.479 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.1 | -43.9 | 177.4 | 172.3 | 0 | 0 | 0 | 0 | 111 | H366 A367 K372 D373 A374 | H366-V370 WeakPolarHBondContact O-CG2 3.42Å; H366-V370 PolarHBondContact O-N 3.42Å; A367-V370 PolarHBondContact O-N 2.94Å; V370-K372 PolarHBondContact O-N 3.05Å; V370-D373 PolarHBondContact O-N 3.42Å; V370-A374 WeakPolarHBondContact O-CB 3.38Å; V370-A374 PolarHBondContact O-N 3.48Å |
| 371 | E | 98.6 | Very high | 98.5 | Very high | 143 Ų | 143 | 86.1 Ų | 86.1 | 67% | 0.668 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.2 | -44.7 | 174.8 | -175.6 | 177.5 | -167.5 | 0 | 0 | 111.6 | A367 A374 A375 | A367-E371 PolarHBondContact O-N 3.18Å; E371-A374 PolarHBondContact O-N 3.08Å; E371-A375 WeakPolarHBondContact O-CB 3.25Å; E371-A375 PolarHBondContact O-N 2.98Å |
| 372 | K | 98.7 | Very high | 98.5 | Very high | 102 Ų | 102 | 83.7 Ų | 83.7 | 44% | 0.443 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 174.9 | -173.4 | -146.6 | 61.1 | 53.5 | 0 | 112.4 | A368 T369 V370 L376 | A368-K372 WeakPolarHBondContact O-CB 3.45Å; A368-K372 PolarHBondContact O-N 2.83Å; T369-K372 PolarHBondContact O-N 2.78Å; V370-K372 PolarHBondContact O-N 3.05Å; K372-L376 VanDerWaalsContact NZ-CD1 3.3Å; K372-L376 WeakPolarHBondContact O-CB 3.34Å; K372-L376 VanDerWaalsContact O-CG 3.28Å; K372-L376 WeakPolarHBondContact O-CG 3.38Å; K372-L376 PolarHBondContact O-N 2.96Å; K372-L376 VanDerWaalsContact O-N 3.13Å |
| 373 | D | 98.6 | Very high | 98.6 | Very high | 64 Ų | 64 | 81.9 Ų | 81.9 | 34% | 0.342 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.5 | -36.1 | 176.3 | -82.1 | -7.8 | 0 | 0 | 0 | 111.1 | K244 T369 V370 A377 | K244-D373 IonicContact NZ-OD2 3.51Å; K244-D373 PolarHBondContact NZ-OD2 2.96Å; T369-D373 WeakPolarHBondContact O-CB 3.39Å; T369-D373 PolarHBondContact O-N 2.86Å; V370-D373 PolarHBondContact O-N 3.42Å; D373-A377 PolarHBondContact O-N 2.94Å |
| 374 | A | 98.6 | Very high | 98.6 | Very high | 49 Ų | 49 | 83.2 Ų | 83.2 | 41% | 0.405 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.5 | -49.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V370 E371 L376 A377 D378 | V370-A374 WeakPolarHBondContact O-CB 3.38Å; V370-A374 PolarHBondContact O-N 3.48Å; E371-A374 PolarHBondContact O-N 3.08Å; A374-L376 VanDerWaalsContact C-N 3.26Å; A374-L376 PolarHBondContact O-N 3.45Å; A374-A377 WeakPolarHBondContact O-CA 3.41Å; A374-A377 WeakPolarHBondContact O-CB 3.35Å; A374-A377 PolarHBondContact O-N 3.29Å; A374-D378 PolarHBondContact O-N 2.95Å |
| 375 | A | 98.6 | Very high | 98.6 | Very high | 59 Ų | 59 | 83.3 Ų | 83.3 | 49% | 0.488 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.1 | -34.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E371 L379 | E371-A375 WeakPolarHBondContact O-CB 3.25Å; E371-A375 PolarHBondContact O-N 2.98Å; A375-L379 WeakPolarHBondContact O-CB 3.42Å; A375-L379 PolarHBondContact O-N 3.49Å |
| 376 | L | 98.6 | Very high | 98.6 | Very high | 78 Ų | 78 | 82.8 Ų | 82.8 | 41% | 0.408 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.3 | -38.6 | 171.6 | -74.2 | 175.8 | 0 | 0 | 0 | 112.4 | K372 A374 D378 L379 N380 | K372-L376 VanDerWaalsContact NZ-CD1 3.3Å; K372-L376 WeakPolarHBondContact O-CB 3.34Å; K372-L376 VanDerWaalsContact O-CG 3.28Å; K372-L376 WeakPolarHBondContact O-CG 3.38Å; K372-L376 PolarHBondContact O-N 2.96Å; K372-L376 VanDerWaalsContact O-N 3.13Å; A374-L376 VanDerWaalsContact C-N 3.26Å; A374-L376 PolarHBondContact O-N 3.45Å; L376-D378 VanDerWaalsContact C-N 3.34Å; L376-L379 PolarHBondContact O-N 3.34Å; L376-N380 WeakPolarHBondContact O-CB 3.27Å; L376-N380 PolarHBondContact O-N 2.84Å; L376-N380 PolarHBondContact O-ND2 3.49Å |
| 377 | A | 98.8 | Very high | 98.6 | Very high | 58 Ų | 58 | 80.6 Ų | 80.6 | 48% | 0.479 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D373 A374 N380 S381 | D373-A377 PolarHBondContact O-N 2.94Å; A374-A377 WeakPolarHBondContact O-CA 3.41Å; A374-A377 WeakPolarHBondContact O-CB 3.35Å; A374-A377 PolarHBondContact O-N 3.29Å; A377-N380 PolarHBondContact O-N 3.08Å; A377-S381 PolarHBondContact O-N 3.18Å |
| 378 | D | 98.6 | Very high | 98.6 | Very high | 111 Ų | 111 | 79.8 Ų | 79.8 | 59% | 0.594 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.7 | -46.1 | 175.7 | -71.9 | -20.7 | 0 | 0 | 0 | 111.9 | A374 L376 N380 S381 V382 | A374-D378 PolarHBondContact O-N 2.95Å; L376-D378 VanDerWaalsContact C-N 3.34Å; D378-N380 PolarHBondContact O-N 3.16Å; D378-S381 WeakPolarHBondContact O-CA 3.34Å; D378-S381 VanDerWaalsContact O-CB 3.25Å; D378-S381 WeakPolarHBondContact O-CB 3.47Å; D378-S381 PolarHBondContact O-N 3.49Å; D378-V382 PolarHBondContact O-N 3.19Å |
| 379 | L | 98.6 | Very high | 98.6 | Very high | 87 Ų | 87 | 81.6 Ų | 81.6 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -56.5 | -49.5 | 174.3 | 177.6 | 61.7 | 0 | 0 | 0 | 111.4 | A375 L376 S381 V382 E383 | A375-L379 WeakPolarHBondContact O-CB 3.42Å; A375-L379 PolarHBondContact O-N 3.49Å; L376-L379 PolarHBondContact O-N 3.34Å; L379-S381 PolarHBondContact O-N 3.25Å; L379-V382 PolarHBondContact O-N 2.9Å; L379-V382 VanDerWaalsContact O-N 3.14Å; L379-E383 HydrophobicContact CD1-CG 4.36Å; L379-E383 WeakPolarHBondContact O-CG 3.49Å; L379-E383 PolarHBondContact O-N 3.07Å |
| 380 | N | 98.5 | Very high | 98.6 | Very high | 64 Ų | 64 | 85.1 Ų | 85.1 | 34% | 0.342 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.9 | -30.2 | 175.8 | -85 | -92.3 | 0 | 0 | 0 | 112.3 | L376 A377 D378 R384 | L376-N380 WeakPolarHBondContact O-CB 3.27Å; L376-N380 PolarHBondContact O-N 2.84Å; L376-N380 PolarHBondContact O-ND2 3.49Å; A377-N380 PolarHBondContact O-N 3.08Å; D378-N380 PolarHBondContact O-N 3.16Å; N380-R384 VanDerWaalsContact O-CG 3.22Å; N380-R384 WeakPolarHBondContact O-CG 3.48Å; N380-R384 PolarHBondContact O-N 3Å; N380-R384 PolarHBondContact O-NH1 2.98Å; N380-R384 VanDerWaalsContact O-NH1 3.15Å |
| 381 | S | 98.8 | Very high | 98.7 | Very high | 69 Ų | 69 | 88.9 Ų | 88.9 | 48% | 0.483 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.2 | -45.4 | 174.5 | -166.3 | 0 | 0 | 0 | 0 | 111.3 | A377 D378 L379 R384 S385 | A377-S381 PolarHBondContact O-N 3.18Å; D378-S381 WeakPolarHBondContact O-CA 3.34Å; D378-S381 VanDerWaalsContact O-CB 3.25Å; D378-S381 WeakPolarHBondContact O-CB 3.47Å; D378-S381 PolarHBondContact O-N 3.49Å; L379-S381 PolarHBondContact O-N 3.25Å; S381-R384 PolarHBondContact O-N 2.91Å; S381-S385 PolarHBondContact O-N 3Å; S381-S385 PolarHBondContact O-OG 2.97Å |
| 382 | V | 98.8 | Very high | 98.7 | Very high | 90 Ų | 90 | 89.2 Ų | 89.2 | 55% | 0.545 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 175.3 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | D378 L379 R384 S385 L386 | D378-V382 PolarHBondContact O-N 3.19Å; L379-V382 PolarHBondContact O-N 2.9Å; L379-V382 VanDerWaalsContact O-N 3.14Å; V382-R384 VanDerWaalsContact C-N 3.35Å; V382-R384 PolarHBondContact O-N 3.37Å; V382-S385 PolarHBondContact O-N 3.46Å; V382-S385 PolarHBondContact O-OG 3.09Å; V382-L386 WeakPolarHBondContact O-CB 3.47Å; V382-L386 PolarHBondContact O-N 3.32Å |
| 383 | E | 98.6 | Very high | 98.7 | Very high | 95 Ų | 95 | 91 Ų | 91 | 44% | 0.444 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.6 | -40.8 | 178.2 | -71.2 | 173.7 | 160.8 | 0 | 0 | 112.9 | L379 S387 | L379-E383 HydrophobicContact CD1-CG 4.36Å; L379-E383 WeakPolarHBondContact O-CG 3.49Å; L379-E383 PolarHBondContact O-N 3.07Å; E383-S387 WeakPolarHBondContact O-CB 3.34Å; E383-S387 PolarHBondContact O-N 3.45Å; E383-S387 PolarHBondContact O-OG 2.68Å |
| 384 | R | 98.6 | Very high | 98.7 | Very high | 160 Ų | 160 | 92.1 Ų | 92.1 | 60% | 0.604 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.6 | -44.4 | 174.2 | -72.4 | 177.1 | -157.5 | 110.8 | -2.9 | 112 | N380 S381 V382 S387 D388 | N380-R384 VanDerWaalsContact O-CG 3.22Å; N380-R384 WeakPolarHBondContact O-CG 3.48Å; N380-R384 PolarHBondContact O-N 3Å; N380-R384 PolarHBondContact O-NH1 2.98Å; N380-R384 VanDerWaalsContact O-NH1 3.15Å; S381-R384 PolarHBondContact O-N 2.91Å; V382-R384 VanDerWaalsContact C-N 3.35Å; V382-R384 PolarHBondContact O-N 3.37Å; R384-S387 PolarHBondContact O-N 3.35Å; R384-D388 PolarHBondContact O-N 2.82Å |
| 385 | S | 98.5 | Very high | 98.7 | Very high | 61 Ų | 61 | 94.6 Ų | 94.6 | 43% | 0.427 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.2 | -38.2 | 179.6 | 69.6 | 0 | 0 | 0 | 0 | 112.2 | S381 V382 D388 I389 | S381-S385 PolarHBondContact O-N 3Å; S381-S385 PolarHBondContact O-OG 2.97Å; V382-S385 PolarHBondContact O-N 3.46Å; V382-S385 PolarHBondContact O-OG 3.09Å; S385-D388 PolarHBondContact O-N 3.25Å; S385-I389 WeakPolarHBondContact O-CG1 3.39Å; S385-I389 PolarHBondContact O-N 3.11Å |
| 386 | L | 98.6 | Very high | 98.7 | Very high | 83 Ų | 83 | 97.3 Ų | 97.3 | 44% | 0.435 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 173 | -179.5 | 62.1 | 0 | 0 | 0 | 111.6 | V382 D388 I389 F390 | V382-L386 WeakPolarHBondContact O-CB 3.47Å; V382-L386 PolarHBondContact O-N 3.32Å; L386-D388 VanDerWaalsContact C-N 3.28Å; L386-D388 PolarHBondContact O-N 2.99Å; L386-I389 PolarHBondContact O-N 3.44Å; L386-F390 HydrophobicContact CD1-CD2 4.02Å; L386-F390 HydrophobicContact CD1-CE2 3.56Å; L386-F390 HydrophobicContact CD1-CZ 4.3Å; L386-F390 HydrophobicContact CD2-CE2 4.15Å; L386-F390 HydrophobicContact CG-CD2 3.92Å; L386-F390 HydrophobicContact CG-CE2 3.63Å; L386-F390 VanDerWaalsContact O-CD2 3.27Å; L386-F390 WeakPolarHBondContact O-CD2 3.36Å; L386-F390 PolarHBondContact O-N 3.04Å |
| 387 | S | 98.8 | Very high | 98.7 | Very high | 77 Ų | 77 | 97.1 Ų | 97.1 | 54% | 0.538 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.7 | -38.7 | 176 | -60 | 0 | 0 | 0 | 0 | 112.2 | E383 R384 R391 | E383-S387 WeakPolarHBondContact O-CB 3.34Å; E383-S387 PolarHBondContact O-N 3.45Å; E383-S387 PolarHBondContact O-OG 2.68Å; R384-S387 PolarHBondContact O-N 3.35Å; S387-R391 PolarHBondContact O-N 3.3Å |
| 388 | D | 98.7 | Very high | 98.7 | Very high | 40 Ų | 40 | 98.1 Ų | 98.1 | 21% | 0.214 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -71 | -37 | 175.5 | 179.9 | 63.7 | 0 | 0 | 0 | 113.2 | R384 S385 L386 R391 R392 | R384-D388 PolarHBondContact O-N 2.82Å; S385-D388 PolarHBondContact O-N 3.25Å; L386-D388 VanDerWaalsContact C-N 3.28Å; L386-D388 PolarHBondContact O-N 2.99Å; D388-R391 PolarHBondContact O-N 2.84Å; D388-R391 IonicContact OD1-CZ 2.8Å; D388-R391 IonicContact OD1-NE 3.35Å; D388-R391 PolarHBondContact OD1-NE 2.86Å; D388-R391 IonicContact OD1-NH2 2.68Å; D388-R391 PolarHBondContact OD1-NH2 2.98Å; D388-R392 WeakPolarHBondContact O-CB 3.3Å; D388-R392 WeakPolarHBondContact O-CG 3.38Å; D388-R392 PolarHBondContact O-N 3.27Å; D388-R392 IonicContact OD2-CZ 3.89Å; D388-R392 IonicContact OD2-NE 3.12Å; D388-R392 PolarHBondContact OD2-NE 3.46Å; D388-R392 IonicContact OD2-NH2 3.9Å; D388-R392 PolarHBondContact OD2-NH2 3.39Å |
| 389 | I | 98.8 | Very high | 98.7 | Very high | 93 Ų | 93 | 96.1 Ų | 96.1 | 48% | 0.477 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 172 | -70.5 | 164.4 | 0 | 0 | 0 | 110.4 | S385 L386 R391 R392 Y393 | S385-I389 WeakPolarHBondContact O-CG1 3.39Å; S385-I389 PolarHBondContact O-N 3.11Å; L386-I389 PolarHBondContact O-N 3.44Å; I389-R391 PolarHBondContact O-N 3.41Å; I389-R392 PolarHBondContact O-N 3.02Å; I389-Y393 WeakPolarHBondContact O-CB 3.38Å; I389-Y393 PolarHBondContact O-N 3.15Å |
| 390 | F | 98.8 | Very high | 98.7 | Very high | 126 Ų | 126 | 96.8 Ų | 96.8 | 55% | 0.553 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.9 | -43.5 | 175.7 | -81.3 | -61.9 | 0 | 0 | 0 | 112.4 | L386 Y393 E394 | L386-F390 HydrophobicContact CD1-CD2 4.02Å; L386-F390 HydrophobicContact CD1-CE2 3.56Å; L386-F390 HydrophobicContact CD1-CZ 4.3Å; L386-F390 HydrophobicContact CD2-CE2 4.15Å; L386-F390 HydrophobicContact CG-CD2 3.92Å; L386-F390 HydrophobicContact CG-CE2 3.63Å; L386-F390 VanDerWaalsContact O-CD2 3.27Å; L386-F390 WeakPolarHBondContact O-CD2 3.36Å; L386-F390 PolarHBondContact O-N 3.04Å; F390-Y393 PolarHBondContact O-N 2.91Å; F390-E394 PolarHBondContact O-N 3.48Å |
| 391 | R | 98.8 | Very high | 98.7 | Very high | 157 Ų | 157 | 98 Ų | 98 | 59% | 0.592 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.9 | -44.7 | 175.1 | 178.4 | 174.6 | 62.4 | -178.3 | -0 | 112.1 | S387 D388 I389 Y393 N395 | S387-R391 PolarHBondContact O-N 3.3Å; D388-R391 PolarHBondContact O-N 2.84Å; D388-R391 IonicContact OD1-CZ 2.8Å; D388-R391 IonicContact OD1-NE 3.35Å; D388-R391 PolarHBondContact OD1-NE 2.86Å; D388-R391 IonicContact OD1-NH2 2.68Å; D388-R391 PolarHBondContact OD1-NH2 2.98Å; I389-R391 PolarHBondContact O-N 3.41Å; R391-Y393 VanDerWaalsContact C-N 3.35Å; R391-N395 WeakPolarHBondContact O-CB 3.37Å; R391-N395 PolarHBondContact O-N 3.17Å; R391-N395 VanDerWaalsContact O-N 3.08Å; R391-N395 PolarHBondContact O-ND2 2.83Å |
| 392 | R | 98.8 | Very high | 98.7 | Very high | 151 Ų | 151 | 96.4 Ų | 96.4 | 57% | 0.57 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.7 | -38.5 | 176.1 | -76.8 | -170.7 | -88.2 | 165.3 | -5.4 | 111.9 | D388 I389 M396 | D388-R392 WeakPolarHBondContact O-CB 3.3Å; D388-R392 WeakPolarHBondContact O-CG 3.38Å; D388-R392 PolarHBondContact O-N 3.27Å; D388-R392 IonicContact OD2-CZ 3.89Å; D388-R392 IonicContact OD2-NE 3.12Å; D388-R392 PolarHBondContact OD2-NE 3.46Å; D388-R392 IonicContact OD2-NH2 3.9Å; D388-R392 PolarHBondContact OD2-NH2 3.39Å; I389-R392 PolarHBondContact O-N 3.02Å; R392-M396 WeakPolarHBondContact O-CB 3.39Å; R392-M396 PolarHBondContact O-N 3.49Å |
| 393 | Y | 98.8 | Very high | 98.7 | Very high | 140 Ų | 140 | 98.6 Ų | 98.6 | 55% | 0.549 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.5 | -50.9 | 176 | 176 | -95.3 | 0 | 0 | 0 | 112.3 | I389 F390 R391 N395 M396 K397 | I389-Y393 WeakPolarHBondContact O-CB 3.38Å; I389-Y393 PolarHBondContact O-N 3.15Å; F390-Y393 PolarHBondContact O-N 2.91Å; R391-Y393 VanDerWaalsContact C-N 3.35Å; Y393-N395 VanDerWaalsContact C-N 3.33Å; Y393-N395 PolarHBondContact O-N 3.31Å; Y393-M396 PolarHBondContact O-N 3.49Å; Y393-M396 VanDerWaalsContact O-N 3.17Å; Y393-K397 HydrophobicContact CE1-CD 3.93Å; Y393-K397 VanDerWaalsContact O-CB 3.3Å; Y393-K397 WeakPolarHBondContact O-CB 3.37Å; Y393-K397 PolarHBondContact O-N 3.09Å |
| 394 | E | 98.8 | Very high | 98.7 | Very high | 87 Ų | 87 | 101 Ų | 101 | 41% | 0.407 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.2 | -35.2 | 179.4 | -72.6 | -63.6 | 138.7 | 0 | 0 | 112.2 | F390 K397 S398 | F390-E394 PolarHBondContact O-N 3.48Å; E394-K397 PolarHBondContact O-N 3.13Å; E394-K397 IonicContact OE1-NZ 2.77Å; E394-K397 PolarHBondContact OE1-NZ 3.06Å; E394-K397 IonicContact OE2-NZ 2.66Å; E394-K397 PolarHBondContact OE2-NZ 2.97Å; E394-S398 WeakPolarHBondContact O-CB 3.48Å; E394-S398 PolarHBondContact O-N 3.23Å |
| 395 | N | 98.6 | Very high | 98.7 | Very high | 101 Ų | 101 | 99.3 Ų | 99.3 | 54% | 0.54 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 171.2 | -73.9 | -9.3 | 0 | 0 | 0 | 112.5 | R391 Y393 T399 | R391-N395 WeakPolarHBondContact O-CB 3.37Å; R391-N395 PolarHBondContact O-N 3.17Å; R391-N395 VanDerWaalsContact O-N 3.08Å; R391-N395 PolarHBondContact O-ND2 2.83Å; Y393-N395 VanDerWaalsContact C-N 3.33Å; Y393-N395 PolarHBondContact O-N 3.31Å; N395-T399 PolarHBondContact O-N 2.91Å; N395-T399 PolarHBondContact O-OG1 3.16Å |
| 396 | M | 98.7 | Very high | 98.7 | Very high | 115 Ų | 115 | 100.8 Ų | 100.8 | 57% | 0.567 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.6 | -45.4 | 177 | -178.6 | 61 | 74 | 0 | 0 | 111 | R392 Y393 T399 L400 | R392-M396 WeakPolarHBondContact O-CB 3.39Å; R392-M396 PolarHBondContact O-N 3.49Å; Y393-M396 PolarHBondContact O-N 3.49Å; Y393-M396 VanDerWaalsContact O-N 3.17Å; M396-T399 WeakPolarHBondContact O-CB 3.4Å; M396-T399 PolarHBondContact O-N 3.22Å; M396-T399 VanDerWaalsContact O-N 3.15Å; M396-L400 HydrophobicContact CG-CD1 4.11Å; M396-L400 HydrophobicContact CG-CG 4.49Å; M396-L400 WeakPolarHBondContact O-CG 3.37Å; M396-L400 PolarHBondContact O-N 3.44Å; M396-L400 HydrophobicContact SD-CG 4.47Å |
| 397 | K | 98.8 | Very high | 98.7 | Very high | 74 Ų | 74 | 101.3 Ų | 101.3 | 32% | 0.322 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 175.8 | 174.4 | 179.8 | 157.4 | -145.7 | 0 | 112 | Y393 E394 T399 L400 E401 | Y393-K397 HydrophobicContact CE1-CD 3.93Å; Y393-K397 VanDerWaalsContact O-CB 3.3Å; Y393-K397 WeakPolarHBondContact O-CB 3.37Å; Y393-K397 PolarHBondContact O-N 3.09Å; E394-K397 PolarHBondContact O-N 3.13Å; E394-K397 IonicContact OE1-NZ 2.77Å; E394-K397 PolarHBondContact OE1-NZ 3.06Å; E394-K397 IonicContact OE2-NZ 2.66Å; E394-K397 PolarHBondContact OE2-NZ 2.97Å; K397-T399 VanDerWaalsContact C-N 3.31Å; K397-T399 PolarHBondContact O-N 3.12Å; K397-L400 PolarHBondContact O-N 2.88Å; K397-E401 WeakPolarHBondContact O-CG 3.43Å; K397-E401 PolarHBondContact O-N 3.44Å |
| 398 | S | 98.8 | Very high | 98.7 | Very high | 79 Ų | 79 | 104.3 Ų | 104.3 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59 | -40.6 | 173.7 | -176.7 | 0 | 0 | 0 | 0 | 112.4 | E394 E401 G402 | E394-S398 WeakPolarHBondContact O-CB 3.48Å; E394-S398 PolarHBondContact O-N 3.23Å; S398-E401 PolarHBondContact O-N 3.3Å; S398-G402 PolarHBondContact O-N 2.93Å |
| 399 | T | 98.8 | Very high | 98.8 | Very high | 69 Ų | 69 | 107.2 Ų | 107.2 | 42% | 0.423 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 175.3 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | N395 M396 K397 G402 F403 | N395-T399 PolarHBondContact O-N 2.91Å; N395-T399 PolarHBondContact O-OG1 3.16Å; M396-T399 WeakPolarHBondContact O-CB 3.4Å; M396-T399 PolarHBondContact O-N 3.22Å; M396-T399 VanDerWaalsContact O-N 3.15Å; K397-T399 VanDerWaalsContact C-N 3.31Å; K397-T399 PolarHBondContact O-N 3.12Å; T399-G402 WeakPolarHBondContact O-CA 3.43Å; T399-G402 PolarHBondContact O-N 3.49Å; T399-G402 VanDerWaalsContact O-N 3.09Å; T399-F403 HydrophobicContact CG2-CD2 4.18Å; T399-F403 HydrophobicContact CG2-CE2 3.6Å; T399-F403 HydrophobicContact CG2-CZ 3.86Å; T399-F403 PolarHBondContact O-N 3.42Å |
| 400 | L | 98.8 | Very high | 98.8 | Very high | 102 Ų | 102 | 107.8 Ų | 107.8 | 53% | 0.534 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 176.8 | -71.3 | 169.8 | 0 | 0 | 0 | 112.3 | M396 K397 G402 F403 K404 | M396-L400 HydrophobicContact CG-CD1 4.11Å; M396-L400 HydrophobicContact CG-CG 4.49Å; M396-L400 WeakPolarHBondContact O-CG 3.37Å; M396-L400 PolarHBondContact O-N 3.44Å; M396-L400 HydrophobicContact SD-CG 4.47Å; K397-L400 PolarHBondContact O-N 2.88Å; L400-G402 VanDerWaalsContact C-N 3.27Å; L400-G402 PolarHBondContact O-N 2.84Å; L400-F403 PolarHBondContact O-N 2.96Å; L400-K404 WeakPolarHBondContact O-CB 3.38Å; L400-K404 PolarHBondContact O-N 3.48Å |
| 401 | E | 98.8 | Very high | 98.8 | Very high | 90 Ų | 90 | 107.3 Ų | 107.3 | 42% | 0.421 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -34.9 | 171.3 | -74.2 | -179.6 | -153.4 | 0 | 0 | 112.2 | K397 S398 K405 | K397-E401 WeakPolarHBondContact O-CG 3.43Å; K397-E401 PolarHBondContact O-N 3.44Å; S398-E401 PolarHBondContact O-N 3.3Å; E401-K405 WeakPolarHBondContact O-CD 3.48Å; E401-K405 VanDerWaalsContact O-CG 3.29Å; E401-K405 WeakPolarHBondContact O-CG 3.29Å; E401-K405 PolarHBondContact O-N 3.11Å; E401-K405 VanDerWaalsContact O-N 3.13Å; E401-K405 IonicContact OE2-NZ 3.43Å |
| 402 | G | 98.8 | Very high | 98.8 | Very high | 35 Ų | 35 | 106 Ų | 106 | 36% | 0.361 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.9 | -48.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S398 T399 L400 K404 K405 N406 | S398-G402 PolarHBondContact O-N 2.93Å; T399-G402 WeakPolarHBondContact O-CA 3.43Å; T399-G402 PolarHBondContact O-N 3.49Å; T399-G402 VanDerWaalsContact O-N 3.09Å; L400-G402 VanDerWaalsContact C-N 3.27Å; L400-G402 PolarHBondContact O-N 2.84Å; G402-K404 PolarHBondContact O-N 2.91Å; G402-K405 PolarHBondContact O-N 2.93Å; G402-N406 PolarHBondContact O-N 3.28Å |
| 403 | F | 98.8 | Very high | 98.8 | Very high | 135 Ų | 135 | 101.3 Ų | 101.3 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.6 | -40.4 | 175.9 | -66.1 | -38.1 | 0 | 0 | 0 | 112.5 | T399 L400 K405 N406 E407 | T399-F403 HydrophobicContact CG2-CD2 4.18Å; T399-F403 HydrophobicContact CG2-CE2 3.6Å; T399-F403 HydrophobicContact CG2-CZ 3.86Å; T399-F403 PolarHBondContact O-N 3.42Å; L400-F403 PolarHBondContact O-N 2.96Å; F403-K405 PolarHBondContact O-N 3.42Å; F403-N406 WeakPolarHBondContact O-CB 3.42Å; F403-N406 PolarHBondContact O-N 2.94Å; F403-N406 VanDerWaalsContact O-N 3.16Å; F403-E407 WeakPolarHBondContact O-CB 3.28Å; F403-E407 PolarHBondContact O-N 2.87Å |
| 404 | K | 98.8 | Very high | 98.8 | Very high | 147 Ų | 147 | 97.5 Ų | 97.5 | 64% | 0.639 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.5 | -42.3 | 175.5 | -174.9 | 177.1 | 178.2 | 179.9 | 0 | 112.5 | L400 G402 E407 E408 | L400-K404 WeakPolarHBondContact O-CB 3.38Å; L400-K404 PolarHBondContact O-N 3.48Å; G402-K404 PolarHBondContact O-N 2.91Å; K404-E407 PolarHBondContact O-N 3.49Å; K404-E408 PolarHBondContact O-N 3.45Å; K404-E408 VanDerWaalsContact O-N 3.11Å |
| 405 | K | 98.8 | Very high | 98.8 | Very high | 124 Ų | 124 | 99.4 Ų | 99.4 | 54% | 0.539 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -38.4 | 174.6 | -69.7 | 161 | -170.5 | 156.4 | 0 | 111.6 | E401 G402 F403 E408 V409 | E401-K405 WeakPolarHBondContact O-CD 3.48Å; E401-K405 VanDerWaalsContact O-CG 3.29Å; E401-K405 WeakPolarHBondContact O-CG 3.29Å; E401-K405 PolarHBondContact O-N 3.11Å; E401-K405 VanDerWaalsContact O-N 3.13Å; E401-K405 IonicContact OE2-NZ 3.43Å; G402-K405 PolarHBondContact O-N 2.93Å; F403-K405 PolarHBondContact O-N 3.42Å; K405-E408 PolarHBondContact O-N 3.35Å; K405-V409 WeakPolarHBondContact O-CG2 3.46Å; K405-V409 PolarHBondContact O-N 3.1Å; K405-V409 VanDerWaalsContact O-N 3.12Å |
| 406 | N | 98.8 | Very high | 98.8 | Very high | 91 Ų | 91 | 98.4 Ų | 98.4 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 176 | -174.4 | -85.7 | 0 | 0 | 0 | 111.8 | G402 F403 E408 V409 L410 | G402-N406 PolarHBondContact O-N 3.28Å; F403-N406 WeakPolarHBondContact O-CB 3.42Å; F403-N406 PolarHBondContact O-N 2.94Å; F403-N406 VanDerWaalsContact O-N 3.16Å; N406-E408 VanDerWaalsContact C-N 3.33Å; N406-E408 PolarHBondContact O-N 3.35Å; N406-V409 PolarHBondContact O-N 2.86Å; N406-L410 WeakPolarHBondContact O-CG 3.36Å; N406-L410 PolarHBondContact O-N 3.08Å; N406-L410 VanDerWaalsContact OD1-CD1 3.28Å; N406-L410 WeakPolarHBondContact OD1-CD1 3.45Å |
| 407 | E | 98.6 | Very high | 98.8 | Very high | 95 Ų | 95 | 99.8 Ų | 99.8 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.3 | -44.2 | 175.2 | -172.7 | -166 | 175.9 | 0 | 0 | 111.7 | F403 K404 L410 K411 | F403-E407 WeakPolarHBondContact O-CB 3.28Å; F403-E407 PolarHBondContact O-N 2.87Å; K404-E407 PolarHBondContact O-N 3.49Å; E407-L410 PolarHBondContact O-N 3.4Å; E407-K411 HydrophobicContact CG-CD 4.32Å; E407-K411 WeakPolarHBondContact O-CB 3.48Å; E407-K411 WeakPolarHBondContact O-CG 3.13Å; E407-K411 PolarHBondContact O-N 3.19Å; E407-K411 WeakPolarHBondContact OE1-CE 3.5Å; E407-K411 IonicContact OE1-NZ 2.68Å; E407-K411 PolarHBondContact OE1-NZ 3.41Å |
| 408 | E | 98.8 | Very high | 98.8 | Very high | 140 Ų | 140 | 100.7 Ų | 100.7 | 65% | 0.654 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.9 | -42.6 | 176.7 | -175.3 | 169.4 | -155.4 | 0 | 0 | 112.4 | K404 K405 N406 K411 K412 | K404-E408 PolarHBondContact O-N 3.45Å; K404-E408 VanDerWaalsContact O-N 3.11Å; K405-E408 PolarHBondContact O-N 3.35Å; N406-E408 VanDerWaalsContact C-N 3.33Å; N406-E408 PolarHBondContact O-N 3.35Å; E408-K411 PolarHBondContact O-N 2.6Å; E408-K412 WeakPolarHBondContact O-CB 3.13Å; E408-K412 PolarHBondContact O-N 2.92Å |
| 409 | V | 98.8 | Very high | 98.8 | Very high | 100 Ų | 100 | 99.6 Ų | 99.6 | 61% | 0.606 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.5 | -43.1 | 174.7 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | K405 N406 K412 C413 | K405-V409 WeakPolarHBondContact O-CG2 3.46Å; K405-V409 PolarHBondContact O-N 3.1Å; K405-V409 VanDerWaalsContact O-N 3.12Å; N406-V409 PolarHBondContact O-N 2.86Å; V409-K412 PolarHBondContact O-N 3.22Å; V409-C413 WeakPolarHBondContact O-CB 3.44Å; V409-C413 PolarHBondContact O-N 3.46Å |
| 410 | L | 98.8 | Very high | 98.8 | Very high | 106 Ų | 106 | 104.3 Ų | 104.3 | 56% | 0.555 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.4 | -42.9 | 177.2 | -71.8 | 175.8 | 0 | 0 | 0 | 111.9 | N406 E407 K412 C413 A414 | N406-L410 WeakPolarHBondContact O-CG 3.36Å; N406-L410 PolarHBondContact O-N 3.08Å; N406-L410 VanDerWaalsContact OD1-CD1 3.28Å; N406-L410 WeakPolarHBondContact OD1-CD1 3.45Å; E407-L410 PolarHBondContact O-N 3.4Å; L410-K412 PolarHBondContact O-N 3.37Å; L410-C413 WeakPolarHBondContact O-CB 3.42Å; L410-C413 PolarHBondContact O-N 3.45Å; L410-A414 PolarHBondContact O-N 2.97Å |
| 411 | K | 98.8 | Very high | 98.8 | Very high | 116 Ų | 116 | 104.7 Ų | 104.7 | 50% | 0.504 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 174.3 | -78 | 175.8 | -178 | 172 | 0 | 111.6 | E407 E408 A414 Q415 | E407-K411 HydrophobicContact CG-CD 4.32Å; E407-K411 WeakPolarHBondContact O-CB 3.48Å; E407-K411 WeakPolarHBondContact O-CG 3.13Å; E407-K411 PolarHBondContact O-N 3.19Å; E407-K411 WeakPolarHBondContact OE1-CE 3.5Å; E407-K411 IonicContact OE1-NZ 2.68Å; E407-K411 PolarHBondContact OE1-NZ 3.41Å; E408-K411 PolarHBondContact O-N 2.6Å; K411-A414 PolarHBondContact O-N 2.65Å; K411-Q415 VanDerWaalsContact O-CG 3.3Å; K411-Q415 WeakPolarHBondContact O-CG 3.35Å; K411-Q415 PolarHBondContact O-N 2.96Å |
| 412 | K | 98.8 | Very high | 98.8 | Very high | 129 Ų | 129 | 105.8 Ų | 105.8 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.7 | -44.7 | 176.1 | -174.5 | 173.7 | -179 | 176 | 0 | 111.8 | E408 V409 L410 A414 Q415 D416 | E408-K412 WeakPolarHBondContact O-CB 3.13Å; E408-K412 PolarHBondContact O-N 2.92Å; V409-K412 PolarHBondContact O-N 3.22Å; L410-K412 PolarHBondContact O-N 3.37Å; K412-A414 VanDerWaalsContact C-N 3.34Å; K412-A414 PolarHBondContact O-N 3.25Å; K412-Q415 WeakPolarHBondContact O-CB 3.34Å; K412-Q415 PolarHBondContact O-N 3.02Å; K412-D416 PolarHBondContact O-N 3Å |
| 413 | C | 98.8 | Very high | 98.8 | Very high | 52 Ų | 52 | 110.6 Ų | 110.6 | 35% | 0.351 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 177.1 | -167.8 | 0 | 0 | 0 | 0 | 112.1 | V409 L410 D416 Y417 | V409-C413 WeakPolarHBondContact O-CB 3.44Å; V409-C413 PolarHBondContact O-N 3.46Å; L410-C413 WeakPolarHBondContact O-CB 3.42Å; L410-C413 PolarHBondContact O-N 3.45Å; C413-D416 PolarHBondContact O-N 3.42Å; C413-Y417 WeakPolarHBondContact O-CD2 3.3Å; C413-Y417 PolarHBondContact O-N 2.9Å; C413-Y417 VanDerWaalsContact O-N 3.08Å; C413-Y417 WeakPolarHBondContact SG-CE2 3.34Å |
| 414 | A | 98.8 | Very high | 98.7 | Very high | 61 Ų | 61 | 109 Ų | 109 | 50% | 0.504 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L410 K411 K412 Y417 L418 | L410-A414 PolarHBondContact O-N 2.97Å; K411-A414 PolarHBondContact O-N 2.65Å; K412-A414 VanDerWaalsContact C-N 3.34Å; K412-A414 PolarHBondContact O-N 3.25Å; A414-Y417 PolarHBondContact O-N 2.97Å; A414-L418 PolarHBondContact O-N 3.42Å |
| 415 | Q | 98.8 | Very high | 98.7 | Very high | 127 Ų | 127 | 106.9 Ų | 106.9 | 59% | 0.593 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.6 | -43.5 | 174.5 | -72.9 | 170.5 | -5.1 | 0 | 0 | 112 | K411 K412 Y417 L418 A419 | K411-Q415 VanDerWaalsContact O-CG 3.3Å; K411-Q415 WeakPolarHBondContact O-CG 3.35Å; K411-Q415 PolarHBondContact O-N 2.96Å; K412-Q415 WeakPolarHBondContact O-CB 3.34Å; K412-Q415 PolarHBondContact O-N 3.02Å; Q415-Y417 VanDerWaalsContact C-N 3.34Å; Q415-Y417 PolarHBondContact O-N 2.97Å; Q415-L418 PolarHBondContact O-N 3.11Å; Q415-A419 WeakPolarHBondContact O-CB 3.47Å; Q415-A419 PolarHBondContact O-N 3.49Å |
| 416 | D | 98.7 | Very high | 98.7 | Very high | 79 Ų | 79 | 107.1 Ų | 107.1 | 42% | 0.422 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 177.7 | -72.6 | -19.6 | 0 | 0 | 0 | 111.5 | K412 C413 R420 | K412-D416 PolarHBondContact O-N 3Å; C413-D416 PolarHBondContact O-N 3.42Å; D416-R420 WeakPolarHBondContact O-CG 3.47Å; D416-R420 PolarHBondContact O-N 3.13Å; D416-R420 VanDerWaalsContact O-N 3.1Å |
| 417 | Y | 98.8 | Very high | 98.7 | Very high | 144 Ų | 144 | 110.5 Ų | 110.5 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.9 | -45.1 | 172.5 | -74.1 | -55.1 | 0 | 0 | 0 | 112.6 | C413 A414 Q415 A419 R420 I421 | C413-Y417 WeakPolarHBondContact O-CD2 3.3Å; C413-Y417 PolarHBondContact O-N 2.9Å; C413-Y417 VanDerWaalsContact O-N 3.08Å; C413-Y417 WeakPolarHBondContact SG-CE2 3.34Å; A414-Y417 PolarHBondContact O-N 2.97Å; Q415-Y417 VanDerWaalsContact C-N 3.34Å; Q415-Y417 PolarHBondContact O-N 2.97Å; Y417-A419 VanDerWaalsContact C-N 3.28Å; Y417-A419 PolarHBondContact O-N 3.35Å; Y417-R420 PolarHBondContact O-N 3.26Å; Y417-I421 WeakPolarHBondContact O-CG1 3.49Å; Y417-I421 PolarHBondContact O-N 3.5Å |
| 418 | L | 98.8 | Very high | 98.7 | Very high | 93 Ų | 93 | 113.1 Ų | 113.1 | 49% | 0.487 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.7 | -38.7 | 177.3 | -177.3 | 64 | 0 | 0 | 0 | 111.8 | A414 Q415 K422 | A414-L418 PolarHBondContact O-N 3.42Å; Q415-L418 PolarHBondContact O-N 3.11Å; L418-K422 WeakPolarHBondContact O-CG 3.47Å; L418-K422 PolarHBondContact O-N 3.02Å; L418-K422 VanDerWaalsContact O-N 3.11Å |
| 419 | A | 98.8 | Very high | 98.7 | Very high | 57 Ų | 57 | 111.5 Ų | 111.5 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q415 Y417 K422 Q423 | Q415-A419 WeakPolarHBondContact O-CB 3.47Å; Q415-A419 PolarHBondContact O-N 3.49Å; Y417-A419 VanDerWaalsContact C-N 3.28Å; Y417-A419 PolarHBondContact O-N 3.35Å; A419-K422 PolarHBondContact O-N 2.86Å; A419-Q423 PolarHBondContact O-N 3.17Å |
| 420 | R | 98.8 | Very high | 98.7 | Very high | 168 Ų | 168 | 111.5 Ų | 111.5 | 63% | 0.634 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.8 | -42.3 | 175.9 | -72 | 176.9 | -169.2 | -156.6 | 4.6 | 112.8 | D416 Y417 K422 Q423 E424 | D416-R420 WeakPolarHBondContact O-CG 3.47Å; D416-R420 PolarHBondContact O-N 3.13Å; D416-R420 VanDerWaalsContact O-N 3.1Å; Y417-R420 PolarHBondContact O-N 3.26Å; R420-K422 PolarHBondContact O-N 3.49Å; R420-Q423 PolarHBondContact O-N 3.26Å; R420-E424 PolarHBondContact O-N 2.84Å |
| 421 | I | 98.8 | Very high | 98.7 | Very high | 109 Ų | 109 | 111.8 Ų | 111.8 | 56% | 0.559 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.9 | -47.7 | 177.4 | -70 | 165.5 | 0 | 0 | 0 | 109.9 | Y417 Q423 E424 E425 | Y417-I421 WeakPolarHBondContact O-CG1 3.49Å; Y417-I421 PolarHBondContact O-N 3.5Å; I421-Q423 VanDerWaalsContact C-N 3.34Å; I421-Q423 PolarHBondContact O-N 3.49Å; I421-E424 PolarHBondContact O-N 2.99Å; I421-E425 VanDerWaalsContact O-CB 3.27Å; I421-E425 WeakPolarHBondContact O-CB 3.45Å; I421-E425 PolarHBondContact O-N 3.13Å |
| 422 | K | 98.8 | Very high | 98.7 | Very high | 114 Ų | 114 | 110.8 Ų | 110.8 | 50% | 0.496 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.5 | -39.3 | 176.3 | -72.4 | 178.5 | 178.3 | -174.2 | 0 | 113.1 | L418 A419 R420 Q426 | L418-K422 WeakPolarHBondContact O-CG 3.47Å; L418-K422 PolarHBondContact O-N 3.02Å; L418-K422 VanDerWaalsContact O-N 3.11Å; A419-K422 PolarHBondContact O-N 2.86Å; R420-K422 PolarHBondContact O-N 3.49Å; K422-Q426 WeakPolarHBondContact O-CB 3.43Å; K422-Q426 WeakPolarHBondContact O-CG 3.42Å; K422-Q426 PolarHBondContact O-N 3.44Å |
| 423 | Q | 98.8 | Very high | 98.7 | Very high | 135 Ų | 135 | 109.2 Ų | 109.2 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.9 | -44.9 | 177.8 | -174.5 | 179.1 | 13.7 | 0 | 0 | 111.9 | A419 R420 I421 Q426 R427 | A419-Q423 PolarHBondContact O-N 3.17Å; R420-Q423 PolarHBondContact O-N 3.26Å; I421-Q423 VanDerWaalsContact C-N 3.34Å; I421-Q423 PolarHBondContact O-N 3.49Å; Q423-Q426 PolarHBondContact O-N 3.47Å; Q423-R427 WeakPolarHBondContact O-CB 3.27Å; Q423-R427 PolarHBondContact O-N 3.28Å |
| 424 | E | 98.4 | Very high | 98.7 | Very high | 102 Ų | 102 | 110.7 Ų | 110.7 | 48% | 0.477 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -73.4 | -32.1 | 179 | -162.6 | 62.9 | -153.8 | 0 | 0 | 111.7 | R420 I421 R427 Y428 | R420-E424 PolarHBondContact O-N 2.84Å; I421-E424 PolarHBondContact O-N 2.99Å; E424-R427 PolarHBondContact O-N 3.35Å; E424-R427 WeakPolarHBondContact OE1-CD 3.33Å; E424-R427 IonicContact OE1-CZ 3.37Å; E424-R427 IonicContact OE1-NE 3.08Å; E424-R427 IonicContact OE1-NH1 2.78Å; E424-R427 PolarHBondContact OE1-NH1 3.2Å; E424-R427 WeakPolarHBondContact OE2-CD 3.32Å; E424-R427 IonicContact OE2-NH1 2.67Å; E424-R427 PolarHBondContact OE2-NH1 3Å; E424-R427 VanDerWaalsContact OE2-NH1 3.13Å; E424-Y428 WeakPolarHBondContact O-CB 3.39Å; E424-Y428 PolarHBondContact O-N 3.16Å |
| 425 | E | 98.7 | Very high | 98.7 | Very high | 103 Ų | 103 | 110.3 Ų | 110.3 | 48% | 0.481 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 170.5 | 178.5 | 176.7 | -153.4 | 0 | 0 | 111.6 | I421 R427 Y428 Q429 | I421-E425 VanDerWaalsContact O-CB 3.27Å; I421-E425 WeakPolarHBondContact O-CB 3.45Å; I421-E425 PolarHBondContact O-N 3.13Å; E425-R427 VanDerWaalsContact C-N 3.33Å; E425-R427 PolarHBondContact O-N 2.97Å; E425-Y428 PolarHBondContact O-N 3.03Å; E425-Q429 WeakPolarHBondContact O-CG 3.49Å; E425-Q429 PolarHBondContact O-N 3.48Å |
| 426 | Q | 98.7 | Very high | 98.7 | Very high | 128 Ų | 128 | 108.6 Ų | 108.6 | 60% | 0.598 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.1 | -44.3 | 174.1 | -76.2 | 178 | -23.2 | 0 | 0 | 111.7 | K422 Q423 Y428 Q429 T430 | K422-Q426 WeakPolarHBondContact O-CB 3.43Å; K422-Q426 WeakPolarHBondContact O-CG 3.42Å; K422-Q426 PolarHBondContact O-N 3.44Å; Q423-Q426 PolarHBondContact O-N 3.47Å; Q426-Y428 PolarHBondContact O-N 3.32Å; Q426-Q429 PolarHBondContact O-N 3.04Å; Q426-T430 PolarHBondContact O-N 2.83Å; Q426-T430 PolarHBondContact O-OG1 3.12Å |
| 427 | R | 98.7 | Very high | 98.7 | Very high | 163 Ų | 163 | 110.5 Ų | 110.5 | 62% | 0.615 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.4 | -42.4 | 177.1 | -173.4 | -175.3 | 179.1 | -156.5 | 2.9 | 112.2 | Q423 E424 E425 T430 L431 | Q423-R427 WeakPolarHBondContact O-CB 3.27Å; Q423-R427 PolarHBondContact O-N 3.28Å; E424-R427 PolarHBondContact O-N 3.35Å; E424-R427 WeakPolarHBondContact OE1-CD 3.33Å; E424-R427 IonicContact OE1-CZ 3.37Å; E424-R427 IonicContact OE1-NE 3.08Å; E424-R427 IonicContact OE1-NH1 2.78Å; E424-R427 PolarHBondContact OE1-NH1 3.2Å; E424-R427 WeakPolarHBondContact OE2-CD 3.32Å; E424-R427 IonicContact OE2-NH1 2.67Å; E424-R427 PolarHBondContact OE2-NH1 3Å; E424-R427 VanDerWaalsContact OE2-NH1 3.13Å; E425-R427 VanDerWaalsContact C-N 3.33Å; E425-R427 PolarHBondContact O-N 2.97Å; R427-T430 PolarHBondContact O-N 2.91Å; R427-L431 WeakPolarHBondContact O-CB 3.4Å; R427-L431 PolarHBondContact O-N 3.46Å |
| 428 | Y | 98.8 | Very high | 98.7 | Very high | 150 Ų | 150 | 109.9 Ų | 109.9 | 59% | 0.588 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.3 | -45.6 | 174.8 | 173.2 | -101 | 0 | 0 | 0 | 111.5 | E424 E425 Q426 T430 L431 K432 | E424-Y428 WeakPolarHBondContact O-CB 3.39Å; E424-Y428 PolarHBondContact O-N 3.16Å; E425-Y428 PolarHBondContact O-N 3.03Å; Q426-Y428 PolarHBondContact O-N 3.32Å; Y428-T430 PolarHBondContact O-N 3.04Å; Y428-L431 PolarHBondContact O-N 3.46Å; Y428-K432 HydrophobicContact CE1-CD 4.35Å; Y428-K432 VanDerWaalsContact O-CB 3.24Å; Y428-K432 WeakPolarHBondContact O-CB 3.38Å; Y428-K432 PolarHBondContact O-N 3Å |
| 429 | Q | 98.8 | Very high | 98.7 | Very high | 106 Ų | 106 | 110.4 Ų | 110.4 | 50% | 0.495 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 176.5 | -71.3 | 173.3 | 13.2 | 0 | 0 | 111.8 | E425 Q426 K432 L433 | E425-Q429 WeakPolarHBondContact O-CG 3.49Å; E425-Q429 PolarHBondContact O-N 3.48Å; Q426-Q429 PolarHBondContact O-N 3.04Å; Q429-K432 PolarHBondContact O-N 3.28Å; Q429-L433 WeakPolarHBondContact O-CB 3.23Å; Q429-L433 PolarHBondContact O-N 3.45Å |
| 430 | T | 98.7 | Very high | 98.7 | Very high | 99 Ų | 99 | 112.4 Ų | 112.4 | 61% | 0.607 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.6 | -46.3 | 175.7 | -54.9 | 0 | 0 | 0 | 0 | 112.1 | Q426 R427 Y428 L433 H434 | Q426-T430 PolarHBondContact O-N 2.83Å; Q426-T430 PolarHBondContact O-OG1 3.12Å; R427-T430 PolarHBondContact O-N 2.91Å; Y428-T430 PolarHBondContact O-N 3.04Å; T430-L433 PolarHBondContact O-N 3.3Å; T430-H434 PolarHBondContact O-N 3.49Å; T430-H434 VanDerWaalsContact O-N 3.12Å |
| 431 | L | 98.8 | Very high | 98.7 | Very high | 113 Ų | 113 | 111 Ų | 111 | 59% | 0.592 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.7 | -40.5 | 179.7 | 178.9 | 60.6 | 0 | 0 | 0 | 112 | R427 Y428 A435 | R427-L431 WeakPolarHBondContact O-CB 3.4Å; R427-L431 PolarHBondContact O-N 3.46Å; Y428-L431 PolarHBondContact O-N 3.46Å; L431-A435 WeakPolarHBondContact O-CB 3.41Å; L431-A435 PolarHBondContact O-N 2.95Å |
| 432 | K | 98.8 | Very high | 98.7 | Very high | 95 Ų | 95 | 107.9 Ų | 107.9 | 41% | 0.413 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.6 | -53 | 175.9 | 179.7 | -172.9 | 164.5 | -174.3 | 0 | 110.5 | Y428 Q429 H434 A435 E436 | Y428-K432 HydrophobicContact CE1-CD 4.35Å; Y428-K432 VanDerWaalsContact O-CB 3.24Å; Y428-K432 WeakPolarHBondContact O-CB 3.38Å; Y428-K432 PolarHBondContact O-N 3Å; Q429-K432 PolarHBondContact O-N 3.28Å; K432-H434 PolarHBondContact O-N 3.21Å; K432-A435 WeakPolarHBondContact O-CB 3.48Å; K432-A435 PolarHBondContact O-N 3.29Å; K432-A435 VanDerWaalsContact O-N 3.08Å; K432-E436 WeakPolarHBondContact CE-OE1 3.38Å; K432-E436 WeakPolarHBondContact CE-OE2 3.38Å; K432-E436 HydrophobicContact CG-CG 4.46Å; K432-E436 IonicContact NZ-OE1 3.94Å; K432-E436 WeakPolarHBondContact O-CG 3.47Å; K432-E436 PolarHBondContact O-N 2.87Å |
| 433 | L | 98.7 | Very high | 98.7 | Very high | 95 Ų | 95 | 106.5 Ų | 106.5 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.7 | -46.5 | -178.8 | -179.7 | 148 | 0 | 0 | 0 | 111.8 | Q429 T430 A435 E436 E437 | Q429-L433 WeakPolarHBondContact O-CB 3.23Å; Q429-L433 PolarHBondContact O-N 3.45Å; T430-L433 PolarHBondContact O-N 3.3Å; L433-A435 VanDerWaalsContact C-N 3.29Å; L433-A435 PolarHBondContact O-N 3.45Å; L433-E436 PolarHBondContact O-N 3.05Å; L433-E437 HydrophobicContact CD2-CG 4.2Å; L433-E437 WeakPolarHBondContact CD2-OE1 3.46Å; L433-E437 WeakPolarHBondContact O-CG 3.24Å; L433-E437 PolarHBondContact O-N 3.08Å |
| 434 | H | 98.8 | Very high | 98.6 | Very high | 83 Ų | 83 | 105.1 Ų | 105.1 | 38% | 0.384 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.6 | -28.8 | 176.8 | 164.3 | -106.8 | 0 | 0 | 0 | 113.4 | T430 K432 K438 | T430-H434 PolarHBondContact O-N 3.49Å; T430-H434 VanDerWaalsContact O-N 3.12Å; K432-H434 PolarHBondContact O-N 3.21Å; H434-K438 PolarHBondContact CE1-NZ 2.86Å; H434-K438 VanDerWaalsContact CE1-NZ 3.32Å; H434-K438 WeakPolarHBondContact NE2-CE 3.44Å; H434-K438 PolarHBondContact NE2-NZ 2.89Å; H434-K438 WeakPolarHBondContact O-CB 3.39Å; H434-K438 WeakPolarHBondContact O-CG 3.44Å; H434-K438 PolarHBondContact O-N 3.42Å |
| 435 | A | 98.7 | Very high | 98.7 | Very high | 53 Ų | 53 | 105.1 Ų | 105.1 | 44% | 0.438 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -73.9 | -39.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | L431 K432 L433 K438 L439 | L431-A435 WeakPolarHBondContact O-CB 3.41Å; L431-A435 PolarHBondContact O-N 2.95Å; K432-A435 WeakPolarHBondContact O-CB 3.48Å; K432-A435 PolarHBondContact O-N 3.29Å; K432-A435 VanDerWaalsContact O-N 3.08Å; L433-A435 VanDerWaalsContact C-N 3.29Å; L433-A435 PolarHBondContact O-N 3.45Å; A435-K438 PolarHBondContact O-N 3.21Å; A435-L439 WeakPolarHBondContact O-CB 3.34Å; A435-L439 PolarHBondContact O-N 2.94Å |
| 436 | E | 98.4 | Very high | 98.6 | Very high | 92 Ų | 92 | 103.9 Ų | 103.9 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -49.8 | 173.4 | -71.5 | 173 | 151.1 | 0 | 0 | 110.6 | K432 L433 K438 L439 D440 | K432-E436 WeakPolarHBondContact CE-OE1 3.38Å; K432-E436 WeakPolarHBondContact CE-OE2 3.38Å; K432-E436 HydrophobicContact CG-CG 4.46Å; K432-E436 IonicContact NZ-OE1 3.94Å; K432-E436 WeakPolarHBondContact O-CG 3.47Å; K432-E436 PolarHBondContact O-N 2.87Å; L433-E436 PolarHBondContact O-N 3.05Å; E436-K438 VanDerWaalsContact C-N 3.32Å; E436-K438 PolarHBondContact O-N 3.09Å; E436-L439 PolarHBondContact O-N 3.33Å; E436-L439 VanDerWaalsContact O-N 3.09Å; E436-D440 PolarHBondContact O-N 3.35Å |
| 437 | E | 98.7 | Very high | 98.6 | Very high | 119 Ų | 119 | 99.7 Ų | 99.7 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -56 | -41.3 | 175.3 | -73.4 | 177.7 | 158.2 | 0 | 0 | 113.2 | L433 K441 | L433-E437 HydrophobicContact CD2-CG 4.2Å; L433-E437 WeakPolarHBondContact CD2-OE1 3.46Å; L433-E437 WeakPolarHBondContact O-CG 3.24Å; L433-E437 PolarHBondContact O-N 3.08Å; E437-K441 WeakPolarHBondContact O-CB 3.42Å; E437-K441 PolarHBondContact O-N 3.25Å |
| 438 | K | 98.7 | Very high | 98.6 | Very high | 130 Ų | 130 | 97.2 Ų | 97.2 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -69.1 | -37.2 | 176.7 | -84.3 | -177.5 | 164.9 | 168 | 0 | 112.8 | H434 A435 E436 A442 | H434-K438 PolarHBondContact CE1-NZ 2.86Å; H434-K438 VanDerWaalsContact CE1-NZ 3.32Å; H434-K438 WeakPolarHBondContact NE2-CE 3.44Å; H434-K438 PolarHBondContact NE2-NZ 2.89Å; H434-K438 WeakPolarHBondContact O-CB 3.39Å; H434-K438 WeakPolarHBondContact O-CG 3.44Å; H434-K438 PolarHBondContact O-N 3.42Å; A435-K438 PolarHBondContact O-N 3.21Å; E436-K438 VanDerWaalsContact C-N 3.32Å; E436-K438 PolarHBondContact O-N 3.09Å; K438-A442 WeakPolarHBondContact O-CB 2.79Å; K438-A442 PolarHBondContact O-N 3.01Å |
| 439 | L | 98.7 | Very high | 98.6 | Very high | 104 Ų | 104 | 94.8 Ų | 94.8 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.3 | -43 | 176.6 | 179.9 | 140.1 | 0 | 0 | 0 | 111 | A435 E436 A442 N443 | A435-L439 WeakPolarHBondContact O-CB 3.34Å; A435-L439 PolarHBondContact O-N 2.94Å; E436-L439 PolarHBondContact O-N 3.33Å; E436-L439 VanDerWaalsContact O-N 3.09Å; L439-A442 PolarHBondContact O-N 3.46Å; L439-N443 VanDerWaalsContact CD2-ND2 3.27Å; L439-N443 WeakPolarHBondContact CD2-ND2 3.27Å; L439-N443 WeakPolarHBondContact O-CB 3.23Å; L439-N443 VanDerWaalsContact O-CG 3.27Å; L439-N443 PolarHBondContact O-N 2.96Å; L439-N443 PolarHBondContact O-ND2 3.49Å; L439-N443 VanDerWaalsContact O-ND2 3.17Å |
| 440 | D | 98.6 | Very high | 98.6 | Very high | 100 Ų | 100 | 98.5 Ų | 98.5 | 54% | 0.535 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 175.8 | -74.1 | -18.5 | 0 | 0 | 0 | 111.7 | E436 A442 N443 E444 | E436-D440 PolarHBondContact O-N 3.35Å; D440-A442 PolarHBondContact O-N 3.34Å; D440-N443 PolarHBondContact O-N 3.45Å; D440-E444 WeakPolarHBondContact O-CB 3.18Å; D440-E444 PolarHBondContact O-N 2.98Å |
| 441 | K | 98.6 | Very high | 98.6 | Very high | 137 Ų | 137 | 98.5 Ų | 98.5 | 60% | 0.596 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.3 | -44.5 | 174.5 | -172.3 | -179.3 | 179.3 | -167.1 | 0 | 112.3 | E437 N443 E444 E445 | E437-K441 WeakPolarHBondContact O-CB 3.42Å; E437-K441 PolarHBondContact O-N 3.25Å; K441-N443 VanDerWaalsContact C-N 3.34Å; K441-N443 PolarHBondContact O-N 2.92Å; K441-E444 PolarHBondContact O-N 3.47Å; K441-E445 WeakPolarHBondContact CE-OE1 3.45Å; K441-E445 IonicContact NZ-OE1 2.68Å; K441-E445 WeakPolarHBondContact O-CG 3.39Å; K441-E445 PolarHBondContact O-N 2.96Å |
| 442 | A | 98.5 | Very high | 98.6 | Very high | 45 Ų | 45 | 99.3 Ų | 99.3 | 37% | 0.372 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.2 | -37.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K438 L439 D440 E445 I446 | K438-A442 WeakPolarHBondContact O-CB 2.79Å; K438-A442 PolarHBondContact O-N 3.01Å; L439-A442 PolarHBondContact O-N 3.46Å; D440-A442 PolarHBondContact O-N 3.34Å; A442-E445 PolarHBondContact O-N 2.91Å; A442-I446 WeakPolarHBondContact O-CB 3.49Å; A442-I446 WeakPolarHBondContact O-CD1 3.27Å; A442-I446 VanDerWaalsContact O-CG1 3.23Å; A442-I446 WeakPolarHBondContact O-CG1 3.33Å; A442-I446 PolarHBondContact O-N 3.17Å |
| 443 | N | 98.4 | Very high | 98.6 | Very high | 84 Ų | 84 | 96.9 Ų | 96.9 | 45% | 0.449 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65 | -41 | 174.5 | -75.4 | -34.1 | 0 | 0 | 0 | 112.2 | L439 D440 K441 I446 A447 | L439-N443 VanDerWaalsContact CD2-ND2 3.27Å; L439-N443 WeakPolarHBondContact CD2-ND2 3.27Å; L439-N443 WeakPolarHBondContact O-CB 3.23Å; L439-N443 VanDerWaalsContact O-CG 3.27Å; L439-N443 PolarHBondContact O-N 2.96Å; L439-N443 PolarHBondContact O-ND2 3.49Å; L439-N443 VanDerWaalsContact O-ND2 3.17Å; D440-N443 PolarHBondContact O-N 3.45Å; K441-N443 VanDerWaalsContact C-N 3.34Å; K441-N443 PolarHBondContact O-N 2.92Å; N443-I446 PolarHBondContact O-N 2.94Å; N443-A447 WeakPolarHBondContact O-CB 3.41Å; N443-A447 PolarHBondContact O-N 2.88Å |
| 444 | E | 98.6 | Very high | 98.5 | Very high | 107 Ų | 107 | 95.4 Ų | 95.4 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 174.9 | 179.1 | 55.1 | -148.5 | 0 | 0 | 111.2 | D440 K441 I446 A447 Q448 | D440-E444 WeakPolarHBondContact O-CB 3.18Å; D440-E444 PolarHBondContact O-N 2.98Å; K441-E444 PolarHBondContact O-N 3.47Å; E444-I446 VanDerWaalsContact C-N 3.33Å; E444-I446 PolarHBondContact O-N 3.12Å; E444-A447 WeakPolarHBondContact O-CB 3.49Å; E444-A447 PolarHBondContact O-N 3.39Å; E444-A447 VanDerWaalsContact O-N 3.12Å; E444-Q448 WeakPolarHBondContact O-CG 3.45Å; E444-Q448 PolarHBondContact O-N 3.47Å; E444-Q448 WeakPolarHBondContact OE1-CG 2.88Å; E444-Q448 PolarHBondContact OE1-NE2 2.66Å |
| 445 | E | 98.6 | Very high | 98.5 | Very high | 101 Ų | 101 | 94.7 Ų | 94.7 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.6 | -42.3 | 173.1 | -73.1 | 174.5 | -164.6 | 0 | 0 | 111.9 | K441 A442 Q448 V449 | K441-E445 WeakPolarHBondContact CE-OE1 3.45Å; K441-E445 IonicContact NZ-OE1 2.68Å; K441-E445 WeakPolarHBondContact O-CG 3.39Å; K441-E445 PolarHBondContact O-N 2.96Å; A442-E445 PolarHBondContact O-N 2.91Å; E445-Q448 PolarHBondContact O-N 3.49Å; E445-V449 WeakPolarHBondContact O-CG2 3.35Å; E445-V449 PolarHBondContact O-N 2.77Å |
| 446 | I | 98.4 | Very high | 98.5 | Very high | 77 Ų | 77 | 96.7 Ų | 96.7 | 40% | 0.395 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 174.2 | -71 | 164.1 | 0 | 0 | 0 | 111.5 | A442 N443 E444 V449 R450 | A442-I446 WeakPolarHBondContact O-CB 3.49Å; A442-I446 WeakPolarHBondContact O-CD1 3.27Å; A442-I446 VanDerWaalsContact O-CG1 3.23Å; A442-I446 WeakPolarHBondContact O-CG1 3.33Å; A442-I446 PolarHBondContact O-N 3.17Å; N443-I446 PolarHBondContact O-N 2.94Å; E444-I446 VanDerWaalsContact C-N 3.33Å; E444-I446 PolarHBondContact O-N 3.12Å; I446-V449 PolarHBondContact O-N 2.78Å; I446-R450 HydrophobicContact CG2-CG 4.48Å; I446-R450 WeakPolarHBondContact O-CB 3.45Å; I446-R450 VanDerWaalsContact O-CG 3.27Å; I446-R450 WeakPolarHBondContact O-CG 3.46Å; I446-R450 PolarHBondContact O-N 2.89Å |
| 447 | A | 98.6 | Very high | 98.5 | Very high | 41 Ų | 41 | 96.2 Ų | 96.2 | 34% | 0.339 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N443 E444 R450 T451 | N443-A447 WeakPolarHBondContact O-CB 3.41Å; N443-A447 PolarHBondContact O-N 2.88Å; E444-A447 WeakPolarHBondContact O-CB 3.49Å; E444-A447 PolarHBondContact O-N 3.39Å; E444-A447 VanDerWaalsContact O-N 3.12Å; A447-R450 PolarHBondContact O-N 2.94Å; A447-T451 WeakPolarHBondContact O-CB 3.39Å; A447-T451 PolarHBondContact O-N 3.35Å; A447-T451 PolarHBondContact O-OG1 3.4Å |
| 448 | Q | 98.6 | Very high | 98.4 | Very high | 110 Ų | 110 | 96.8 Ų | 96.8 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64 | -46.9 | 174.8 | -70.4 | 177.6 | 20.4 | 0 | 0 | 111.8 | E444 E445 R450 T451 K452 | E444-Q448 WeakPolarHBondContact O-CG 3.45Å; E444-Q448 PolarHBondContact O-N 3.47Å; E444-Q448 WeakPolarHBondContact OE1-CG 2.88Å; E444-Q448 PolarHBondContact OE1-NE2 2.66Å; E445-Q448 PolarHBondContact O-N 3.49Å; Q448-R450 PolarHBondContact O-N 3.15Å; Q448-T451 PolarHBondContact O-N 2.87Å; Q448-K452 WeakPolarHBondContact O-CB 3.37Å; Q448-K452 PolarHBondContact O-N 3.43Å |
| 449 | V | 98.7 | Very high | 98.4 | Very high | 100 Ų | 100 | 93.7 Ų | 93.7 | 61% | 0.606 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.2 | -44.4 | 176.5 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | E445 I446 K452 A453 | E445-V449 WeakPolarHBondContact O-CG2 3.35Å; E445-V449 PolarHBondContact O-N 2.77Å; I446-V449 PolarHBondContact O-N 2.78Å; V449-K452 PolarHBondContact O-N 2.88Å; V449-A453 WeakPolarHBondContact O-CB 3.48Å; V449-A453 PolarHBondContact O-N 2.9Å |
| 450 | R | 98.4 | Very high | 98.4 | Very high | 183 Ų | 183 | 94.9 Ų | 94.9 | 69% | 0.691 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.2 | -42.7 | 175.9 | -75.2 | 172.2 | 177.4 | 172.7 | 2 | 112.3 | I446 A447 Q448 S454 | I446-R450 HydrophobicContact CG2-CG 4.48Å; I446-R450 WeakPolarHBondContact O-CB 3.45Å; I446-R450 VanDerWaalsContact O-CG 3.27Å; I446-R450 WeakPolarHBondContact O-CG 3.46Å; I446-R450 PolarHBondContact O-N 2.89Å; A447-R450 PolarHBondContact O-N 2.94Å; Q448-R450 PolarHBondContact O-N 3.15Å; R450-S454 WeakPolarHBondContact O-CB 3.41Å; R450-S454 PolarHBondContact O-N 3.5Å |
| 451 | T | 98.5 | Very high | 98.3 | Very high | 99 Ų | 99 | 92.7 Ų | 92.7 | 61% | 0.607 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.5 | -43.3 | 179.2 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | A447 Q448 S454 S455 | A447-T451 WeakPolarHBondContact O-CB 3.39Å; A447-T451 PolarHBondContact O-N 3.35Å; A447-T451 PolarHBondContact O-OG1 3.4Å; Q448-T451 PolarHBondContact O-N 2.87Å; T451-S454 WeakPolarHBondContact O-CB 3.33Å; T451-S454 PolarHBondContact O-N 3.3Å; T451-S455 PolarHBondContact O-N 2.93Å |
| 452 | K | 98.4 | Very high | 98.3 | Very high | 130 Ų | 130 | 89 Ų | 89 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.3 | -49.4 | 175 | -178.1 | 177 | 171.9 | -179.1 | 0 | 112 | Q448 V449 S454 S455 E456 | Q448-K452 WeakPolarHBondContact O-CB 3.37Å; Q448-K452 PolarHBondContact O-N 3.43Å; V449-K452 PolarHBondContact O-N 2.88Å; K452-S454 VanDerWaalsContact C-N 3.25Å; K452-S454 PolarHBondContact O-N 3.25Å; K452-S455 PolarHBondContact O-N 2.78Å; K452-S455 VanDerWaalsContact O-N 3.15Å; K452-S455 PolarHBondContact O-OG 2.93Å; K452-E456 WeakPolarHBondContact CE-OE1 3.32Å; K452-E456 IonicContact NZ-OE1 2.82Å; K452-E456 WeakPolarHBondContact O-CG 3.27Å; K452-E456 PolarHBondContact O-N 2.7Å |
| 453 | A | 98.4 | Very high | 98.3 | Very high | 44 Ų | 44 | 88.5 Ų | 88.5 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.1 | -35.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V449 T457 | V449-A453 WeakPolarHBondContact O-CB 3.48Å; V449-A453 PolarHBondContact O-N 2.9Å; A453-T457 VanDerWaalsContact O-CB 3.27Å; A453-T457 WeakPolarHBondContact O-CB 3.48Å; A453-T457 PolarHBondContact O-N 2.95Å; A453-T457 PolarHBondContact O-OG1 2.87Å |
| 454 | S | 98.3 | Very high | 98.3 | Very high | 65 Ų | 65 | 89.5 Ų | 89.5 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 173 | -173.4 | 0 | 0 | 0 | 0 | 112 | R450 T451 K452 E456 T457 M458 | R450-S454 WeakPolarHBondContact O-CB 3.41Å; R450-S454 PolarHBondContact O-N 3.5Å; T451-S454 WeakPolarHBondContact O-CB 3.33Å; T451-S454 PolarHBondContact O-N 3.3Å; K452-S454 VanDerWaalsContact C-N 3.25Å; K452-S454 PolarHBondContact O-N 3.25Å; S454-E456 PolarHBondContact O-N 3.4Å; S454-T457 PolarHBondContact O-N 3.46Å; S454-M458 WeakPolarHBondContact O-CG 3.35Å; S454-M458 PolarHBondContact O-N 2.7Å |
| 455 | S | 98.3 | Very high | 98.2 | Very high | 67 Ų | 67 | 91.7 Ų | 91.7 | 47% | 0.469 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 179 | 72.8 | 0 | 0 | 0 | 0 | 112.6 | T451 K452 M458 A459 | T451-S455 PolarHBondContact O-N 2.93Å; K452-S455 PolarHBondContact O-N 2.78Å; K452-S455 VanDerWaalsContact O-N 3.15Å; K452-S455 PolarHBondContact O-OG 2.93Å; S455-M458 PolarHBondContact O-N 3.27Å; S455-A459 WeakPolarHBondContact O-CB 3.26Å; S455-A459 PolarHBondContact O-N 3.03Å |
| 456 | E | 98 | Very high | 98.2 | Very high | 95 Ų | 95 | 93.4 Ų | 93.4 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 172.3 | -71.7 | 173.3 | 176.8 | 0 | 0 | 111.4 | K452 S454 M458 A459 L460 | K452-E456 WeakPolarHBondContact CE-OE1 3.32Å; K452-E456 IonicContact NZ-OE1 2.82Å; K452-E456 WeakPolarHBondContact O-CG 3.27Å; K452-E456 PolarHBondContact O-N 2.7Å; S454-E456 PolarHBondContact O-N 3.4Å; E456-M458 VanDerWaalsContact C-N 3.35Å; E456-M458 PolarHBondContact O-N 3.26Å; E456-A459 PolarHBondContact O-N 2.87Å; E456-L460 WeakPolarHBondContact O-CB 3.34Å; E456-L460 WeakPolarHBondContact O-CG 3.43Å; E456-L460 PolarHBondContact O-N 2.93Å |
| 457 | T | 97.9 | Very high | 98.1 | Very high | 82 Ų | 82 | 94 Ų | 94 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 175.2 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | A453 S454 T461 | A453-T457 VanDerWaalsContact O-CB 3.27Å; A453-T457 WeakPolarHBondContact O-CB 3.48Å; A453-T457 PolarHBondContact O-N 2.95Å; A453-T457 PolarHBondContact O-OG1 2.87Å; S454-T457 PolarHBondContact O-N 3.46Å; T457-T461 VanDerWaalsContact O-CB 3.26Å; T457-T461 WeakPolarHBondContact O-CB 3.44Å; T457-T461 PolarHBondContact O-N 3.35Å; T457-T461 PolarHBondContact O-OG1 2.87Å |
| 458 | M | 98.1 | Very high | 98.1 | Very high | 131 Ų | 131 | 96.4 Ų | 96.4 | 65% | 0.645 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.2 | -44.3 | 174.6 | -73.3 | 175 | 63.9 | 0 | 0 | 111.8 | S454 S455 E456 T461 A462 | S454-M458 WeakPolarHBondContact O-CG 3.35Å; S454-M458 PolarHBondContact O-N 2.7Å; S455-M458 PolarHBondContact O-N 3.27Å; E456-M458 VanDerWaalsContact C-N 3.35Å; E456-M458 PolarHBondContact O-N 3.26Å; M458-T461 PolarHBondContact O-N 2.82Å; M458-A462 WeakPolarHBondContact O-CB 3.43Å; M458-A462 PolarHBondContact O-N 3.05Å |
| 459 | A | 98.3 | Very high | 98.1 | Very high | 65 Ų | 65 | 96.9 Ų | 96.9 | 54% | 0.537 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S455 E456 A462 G463 | S455-A459 WeakPolarHBondContact O-CB 3.26Å; S455-A459 PolarHBondContact O-N 3.03Å; E456-A459 PolarHBondContact O-N 2.87Å; A459-A462 PolarHBondContact O-N 3.19Å; A459-G463 PolarHBondContact O-N 3.48Å |
| 460 | L | 97.6 | Very high | 98 | Very high | 130 Ų | 130 | 98.7 Ų | 98.7 | 68% | 0.681 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.6 | -40.8 | 175.2 | -71.4 | 173.4 | 0 | 0 | 0 | 112 | E456 A462 G463 L464 | E456-L460 WeakPolarHBondContact O-CB 3.34Å; E456-L460 WeakPolarHBondContact O-CG 3.43Å; E456-L460 PolarHBondContact O-N 2.93Å; L460-A462 VanDerWaalsContact C-N 3.35Å; L460-A462 PolarHBondContact O-N 3.31Å; L460-G463 PolarHBondContact O-N 3.33Å; L460-L464 WeakPolarHBondContact O-CB 3.46Å; L460-L464 PolarHBondContact O-N 3.08Å |
| 461 | T | 98.1 | Very high | 98 | Very high | 54 Ų | 54 | 93.8 Ų | 93.8 | 33% | 0.331 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | 176.3 | -59 | 0 | 0 | 0 | 0 | 111.7 | T457 M458 R465 | T457-T461 VanDerWaalsContact O-CB 3.26Å; T457-T461 WeakPolarHBondContact O-CB 3.44Å; T457-T461 PolarHBondContact O-N 3.35Å; T457-T461 PolarHBondContact O-OG1 2.87Å; M458-T461 PolarHBondContact O-N 2.82Å; T461-R465 WeakPolarHBondContact O-CG 3.47Å; T461-R465 PolarHBondContact O-N 2.86Å; T461-R465 VanDerWaalsContact O-N 3.08Å |
| 462 | A | 98.1 | Very high | 97.9 | Very high | 59 Ų | 59 | 94 Ų | 94 | 49% | 0.488 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | M458 A459 L460 R465 K466 | M458-A462 WeakPolarHBondContact O-CB 3.43Å; M458-A462 PolarHBondContact O-N 3.05Å; A459-A462 PolarHBondContact O-N 3.19Å; L460-A462 VanDerWaalsContact C-N 3.35Å; L460-A462 PolarHBondContact O-N 3.31Å; A462-R465 PolarHBondContact O-N 2.91Å; A462-K466 PolarHBondContact O-N 3.28Å |
| 463 | G | 97.9 | Very high | 97.9 | Very high | 35 Ų | 35 | 91.2 Ų | 91.2 | 36% | 0.361 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A459 L460 K466 E467 | A459-G463 PolarHBondContact O-N 3.48Å; L460-G463 PolarHBondContact O-N 3.33Å; G463-K466 WeakPolarHBondContact O-CB 3.35Å; G463-K466 PolarHBondContact O-N 2.94Å; G463-E467 PolarHBondContact O-N 3.39Å |
| 464 | L | 97.8 | Very high | 97.9 | Very high | 104 Ų | 104 | 93.1 Ų | 93.1 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 175.9 | 178.3 | 61.5 | 0 | 0 | 0 | 111.3 | L460 K466 E467 Q468 | L460-L464 WeakPolarHBondContact O-CB 3.46Å; L460-L464 PolarHBondContact O-N 3.08Å; L464-K466 VanDerWaalsContact C-N 3.29Å; L464-K466 PolarHBondContact O-N 3.03Å; L464-E467 PolarHBondContact O-N 3.05Å; L464-Q468 HydrophobicContact CD1-CG 4.24Å; L464-Q468 HydrophobicContact CG-CG 4.4Å; L464-Q468 WeakPolarHBondContact O-CB 3.27Å; L464-Q468 VanDerWaalsContact O-CG 3.27Å; L464-Q468 WeakPolarHBondContact O-CG 3.41Å; L464-Q468 PolarHBondContact O-N 2.86Å |
| 465 | R | 97.9 | Very high | 97.8 | Very high | 154 Ų | 154 | 94.9 Ų | 94.9 | 58% | 0.581 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.9 | -38.4 | 175.9 | -75.9 | -173.9 | -176.4 | 127.1 | 0.9 | 112.7 | T461 A462 Q468 M469 | T461-R465 WeakPolarHBondContact O-CG 3.47Å; T461-R465 PolarHBondContact O-N 2.86Å; T461-R465 VanDerWaalsContact O-N 3.08Å; A462-R465 PolarHBondContact O-N 2.91Å; R465-Q468 PolarHBondContact O-N 3.46Å; R465-M469 WeakPolarHBondContact O-CE 3.42Å; R465-M469 WeakPolarHBondContact O-CG 3.43Å; R465-M469 PolarHBondContact O-N 2.73Å |
| 466 | K | 98.1 | Very high | 97.7 | Very high | 136 Ų | 136 | 98 Ų | 98 | 59% | 0.591 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.4 | -47.2 | 177.1 | -175.7 | -169.8 | 172.5 | -165.9 | 0 | 111.6 | A462 G463 L464 R470 | A462-K466 PolarHBondContact O-N 3.28Å; G463-K466 WeakPolarHBondContact O-CB 3.35Å; G463-K466 PolarHBondContact O-N 2.94Å; L464-K466 VanDerWaalsContact C-N 3.29Å; L464-K466 PolarHBondContact O-N 3.03Å; K466-R470 PolarHBondContact O-N 3.36Å |
| 467 | E | 97 | Very high | 97.7 | Very high | 91 Ų | 91 | 95.8 Ų | 95.8 | 43% | 0.425 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.9 | -31.1 | 178.4 | -67.2 | -52.6 | 128.1 | 0 | 0 | 112.8 | G463 L464 R470 N471 | G463-E467 PolarHBondContact O-N 3.39Å; L464-E467 PolarHBondContact O-N 3.05Å; E467-R470 PolarHBondContact O-N 2.83Å; E467-R470 WeakPolarHBondContact OE2-CD 3.38Å; E467-R470 IonicContact OE2-CZ 3.82Å; E467-R470 IonicContact OE2-NE 2.6Å; E467-R470 PolarHBondContact OE2-NE 3.27Å; E467-N471 WeakPolarHBondContact O-CB 3.37Å; E467-N471 PolarHBondContact O-N 2.9Å |
| 468 | Q | 97.6 | Very high | 97.7 | Very high | 91 Ų | 91 | 96.7 Ų | 96.7 | 43% | 0.425 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58 | -54 | 169.4 | -76.7 | 170.5 | -30.4 | 0 | 0 | 111 | L464 R465 R470 N471 E472 | L464-Q468 HydrophobicContact CD1-CG 4.24Å; L464-Q468 HydrophobicContact CG-CG 4.4Å; L464-Q468 WeakPolarHBondContact O-CB 3.27Å; L464-Q468 VanDerWaalsContact O-CG 3.27Å; L464-Q468 WeakPolarHBondContact O-CG 3.41Å; L464-Q468 PolarHBondContact O-N 2.86Å; R465-Q468 PolarHBondContact O-N 3.46Å; Q468-R470 VanDerWaalsContact C-N 3.26Å; Q468-R470 PolarHBondContact O-N 3.02Å; Q468-N471 PolarHBondContact O-N 3.1Å; Q468-N471 VanDerWaalsContact O-N 3.1Å; Q468-E472 WeakPolarHBondContact O-CG 3.44Å; Q468-E472 PolarHBondContact O-N 3.47Å |
| 469 | M | 97.9 | Very high | 97.6 | Very high | 120 Ų | 120 | 96 Ų | 96 | 59% | 0.591 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.9 | -35.1 | 176 | -69.2 | -177 | -65 | 0 | 0 | 112.6 | R465 S473 | R465-M469 WeakPolarHBondContact O-CE 3.42Å; R465-M469 WeakPolarHBondContact O-CG 3.43Å; R465-M469 PolarHBondContact O-N 2.73Å; M469-S473 WeakPolarHBondContact O-CB 3.4Å; M469-S473 PolarHBondContact O-N 2.86Å |
| 470 | R | 97.8 | Very high | 97.5 | Very high | 138 Ų | 138 | 98.3 Ų | 98.3 | 52% | 0.521 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.5 | -41 | 175.6 | -162.2 | -175.1 | 83.9 | 82.2 | 5.8 | 111.7 | K466 E467 Q468 L474 | K466-R470 PolarHBondContact O-N 3.36Å; E467-R470 PolarHBondContact O-N 2.83Å; E467-R470 WeakPolarHBondContact OE2-CD 3.38Å; E467-R470 IonicContact OE2-CZ 3.82Å; E467-R470 IonicContact OE2-NE 2.6Å; E467-R470 PolarHBondContact OE2-NE 3.27Å; Q468-R470 VanDerWaalsContact C-N 3.26Å; Q468-R470 PolarHBondContact O-N 3.02Å; R470-L474 WeakPolarHBondContact O-CG 3.32Å; R470-L474 PolarHBondContact O-N 3.47Å; R470-L474 VanDerWaalsContact O-N 3.08Å |
| 471 | N | 97.5 | Very high | 97.5 | Very high | 80 Ų | 80 | 97.6 Ų | 97.6 | 43% | 0.428 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.6 | -47.6 | 177.9 | -171 | 59.5 | 0 | 0 | 0 | 111.2 | E467 Q468 S473 L474 E475 | E467-N471 WeakPolarHBondContact O-CB 3.37Å; E467-N471 PolarHBondContact O-N 2.9Å; Q468-N471 PolarHBondContact O-N 3.1Å; Q468-N471 VanDerWaalsContact O-N 3.1Å; N471-S473 VanDerWaalsContact C-N 3.26Å; N471-S473 PolarHBondContact O-N 2.87Å; N471-L474 PolarHBondContact O-N 3.28Å; N471-E475 PolarHBondContact ND2-OE1 3.01Å; N471-E475 WeakPolarHBondContact O-CG 3.47Å; N471-E475 PolarHBondContact O-N 3.28Å |
| 472 | E | 97.4 | Very high | 97.4 | Very high | 102 Ų | 102 | 98.9 Ų | 98.9 | 48% | 0.477 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -54.1 | -42.3 | 174.1 | -70.9 | 167.5 | -167.3 | 0 | 0 | 111.8 | Q468 E475 Q476 | Q468-E472 WeakPolarHBondContact O-CG 3.44Å; Q468-E472 PolarHBondContact O-N 3.47Å; E472-E475 PolarHBondContact O-N 3.3Å; E472-Q476 VanDerWaalsContact O-CG 3.29Å; E472-Q476 WeakPolarHBondContact O-CG 3.35Å; E472-Q476 PolarHBondContact O-N 3.08Å |
| 473 | S | 97.8 | Very high | 97.3 | Very high | 73 Ų | 73 | 101.3 Ų | 101.3 | 51% | 0.51 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66 | -38 | 175.7 | 178.8 | 0 | 0 | 0 | 0 | 113.2 | M469 N471 A477 | M469-S473 WeakPolarHBondContact O-CB 3.4Å; M469-S473 PolarHBondContact O-N 2.86Å; N471-S473 VanDerWaalsContact C-N 3.26Å; N471-S473 PolarHBondContact O-N 2.87Å; S473-A477 PolarHBondContact O-N 3.46Å; S473-A477 VanDerWaalsContact O-N 3.08Å |
| 474 | L | 97.6 | Very high | 97.2 | Very high | 84 Ų | 84 | 102.7 Ų | 102.7 | 44% | 0.44 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.7 | -38.8 | 175.4 | -74.9 | 175.2 | 0 | 0 | 0 | 112.3 | R470 N471 A477 L478 | R470-L474 WeakPolarHBondContact O-CG 3.32Å; R470-L474 PolarHBondContact O-N 3.47Å; R470-L474 VanDerWaalsContact O-N 3.08Å; N471-L474 PolarHBondContact O-N 3.28Å; L474-A477 PolarHBondContact O-N 3.32Å; L474-L478 WeakPolarHBondContact O-CB 3.43Å; L474-L478 PolarHBondContact O-N 3.05Å |
| 475 | E | 96.9 | Very high | 97 | Very high | 101 Ų | 101 | 102.3 Ų | 102.3 | 47% | 0.472 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 174.7 | -73.1 | 174.1 | 179.5 | 0 | 0 | 111 | N471 E472 L478 L479 | N471-E475 PolarHBondContact ND2-OE1 3.01Å; N471-E475 WeakPolarHBondContact O-CG 3.47Å; N471-E475 PolarHBondContact O-N 3.28Å; E472-E475 PolarHBondContact O-N 3.3Å; E475-L478 PolarHBondContact O-N 2.86Å; E475-L479 WeakPolarHBondContact O-CB 3.32Å; E475-L479 VanDerWaalsContact O-CG 3.32Å; E475-L479 WeakPolarHBondContact O-CG 3.49Å; E475-L479 PolarHBondContact O-N 3.01Å |
| 476 | Q | 97.3 | Very high | 96.9 | Very high | 134 Ų | 134 | 100.1 Ų | 100.1 | 63% | 0.626 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.1 | -44.6 | 172.8 | -72.6 | 172 | 14.2 | 0 | 0 | 112.5 | E472 L478 L479 Q480 | E472-Q476 VanDerWaalsContact O-CG 3.29Å; E472-Q476 WeakPolarHBondContact O-CG 3.35Å; E472-Q476 PolarHBondContact O-N 3.08Å; Q476-L478 VanDerWaalsContact C-N 3.33Å; Q476-L478 PolarHBondContact O-N 3.18Å; Q476-L479 PolarHBondContact O-N 2.97Å; Q476-Q480 PolarHBondContact O-N 2.98Å |
| 477 | A | 97.1 | Very high | 96.8 | Very high | 47 Ų | 47 | 98 Ų | 98 | 39% | 0.388 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.5 | -35.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S473 L474 K481 | S473-A477 PolarHBondContact O-N 3.46Å; S473-A477 VanDerWaalsContact O-N 3.08Å; L474-A477 PolarHBondContact O-N 3.32Å; A477-K481 WeakPolarHBondContact O-CB 3.48Å; A477-K481 WeakPolarHBondContact O-CG 3.24Å; A477-K481 PolarHBondContact O-N 3.08Å |
| 478 | L | 97 | Very high | 96.7 | Very high | 101 Ų | 101 | 98.8 Ų | 98.8 | 53% | 0.529 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.5 | -45 | 174.5 | -173.1 | 159.4 | 0 | 0 | 0 | 110.9 | L474 E475 Q476 Q480 K481 N482 | L474-L478 WeakPolarHBondContact O-CB 3.43Å; L474-L478 PolarHBondContact O-N 3.05Å; E475-L478 PolarHBondContact O-N 2.86Å; Q476-L478 VanDerWaalsContact C-N 3.33Å; Q476-L478 PolarHBondContact O-N 3.18Å; L478-Q480 PolarHBondContact O-N 3.48Å; L478-K481 PolarHBondContact O-N 2.9Å; L478-N482 WeakPolarHBondContact CD2-ND2 3.34Å; L478-N482 PolarHBondContact O-N 3.35Å |
| 479 | L | 96.8 | Very high | 96.5 | Very high | 116 Ų | 116 | 97.7 Ų | 97.7 | 61% | 0.607 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.1 | -45.5 | 174.6 | -74.1 | 168.8 | 0 | 0 | 0 | 111.6 | E475 Q476 K481 N482 Q483 | E475-L479 WeakPolarHBondContact O-CB 3.32Å; E475-L479 VanDerWaalsContact O-CG 3.32Å; E475-L479 WeakPolarHBondContact O-CG 3.49Å; E475-L479 PolarHBondContact O-N 3.01Å; Q476-L479 PolarHBondContact O-N 2.97Å; L479-K481 VanDerWaalsContact C-N 3.34Å; L479-K481 PolarHBondContact O-N 3.21Å; L479-N482 PolarHBondContact O-N 2.85Å; L479-Q483 PolarHBondContact O-N 3.39Å |
| 480 | Q | 96.6 | Very high | 96.3 | Very high | 115 Ų | 115 | 97.1 Ų | 97.1 | 54% | 0.537 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.6 | -45.4 | 173.9 | -176.6 | -173.9 | -18.8 | 0 | 0 | 111.4 | Q476 L478 N482 Q483 E484 | Q476-Q480 PolarHBondContact O-N 2.98Å; L478-Q480 PolarHBondContact O-N 3.48Å; Q480-N482 PolarHBondContact O-N 3.29Å; Q480-Q483 PolarHBondContact O-N 2.79Å; Q480-E484 PolarHBondContact NE2-OE1 2.89Å; Q480-E484 WeakPolarHBondContact O-CG 3.29Å; Q480-E484 PolarHBondContact O-N 3.24Å |
| 481 | K | 96.8 | Very high | 96.1 | Very high | 114 Ų | 114 | 95.4 Ų | 95.4 | 50% | 0.496 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.4 | -36.9 | 178.8 | -75.1 | -72 | 162.7 | -155.4 | 0 | 113 | A477 L478 L479 E484 I485 | A477-K481 WeakPolarHBondContact O-CB 3.48Å; A477-K481 WeakPolarHBondContact O-CG 3.24Å; A477-K481 PolarHBondContact O-N 3.08Å; L478-K481 PolarHBondContact O-N 2.9Å; L479-K481 VanDerWaalsContact C-N 3.34Å; L479-K481 PolarHBondContact O-N 3.21Å; K481-E484 IonicContact NZ-OE1 3.43Å; K481-E484 IonicContact NZ-OE2 3.58Å; K481-E484 PolarHBondContact NZ-OE2 2.89Å; K481-E484 PolarHBondContact O-N 2.95Å; K481-I485 WeakPolarHBondContact O-CD1 3.44Å; K481-I485 VanDerWaalsContact O-CG1 3.24Å; K481-I485 WeakPolarHBondContact O-CG1 3.5Å; K481-I485 PolarHBondContact O-N 3.21Å |
| 482 | N | 96.3 | Very high | 95.7 | Very high | 81 Ų | 81 | 95 Ų | 95 | 43% | 0.433 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 172.3 | -77.5 | -7.7 | 0 | 0 | 0 | 111.3 | L478 L479 Q480 I485 E486 | L478-N482 WeakPolarHBondContact CD2-ND2 3.34Å; L478-N482 PolarHBondContact O-N 3.35Å; L479-N482 PolarHBondContact O-N 2.85Å; Q480-N482 PolarHBondContact O-N 3.29Å; N482-I485 PolarHBondContact O-N 2.97Å; N482-E486 PolarHBondContact O-N 3.29Å |
| 483 | Q | 96.4 | Very high | 95.5 | Very high | 111 Ų | 111 | 94.5 Ų | 94.5 | 52% | 0.519 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 175.2 | -175.6 | 179.9 | -17.9 | 0 | 0 | 111.9 | L479 Q480 I485 E486 E487 | L479-Q483 PolarHBondContact O-N 3.39Å; Q480-Q483 PolarHBondContact O-N 2.79Å; Q483-I485 VanDerWaalsContact C-N 3.29Å; Q483-I485 PolarHBondContact O-N 3.48Å; Q483-E486 PolarHBondContact O-N 2.9Å; Q483-E487 WeakPolarHBondContact CG-OE1 3.4Å; Q483-E487 PolarHBondContact NE2-OE1 2.93Å; Q483-E487 WeakPolarHBondContact O-CB 3.5Å; Q483-E487 WeakPolarHBondContact O-CG 3.4Å; Q483-E487 PolarHBondContact O-N 3.39Å |
| 484 | E | 95.3 | Very high | 95.1 | Very high | 64 Ų | 64 | 96.3 Ų | 96.3 | 30% | 0.299 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.9 | -39.9 | 174 | -72.4 | 173.6 | -158.9 | 0 | 0 | 111.7 | Q480 K481 E487 L488 | Q480-E484 PolarHBondContact NE2-OE1 2.89Å; Q480-E484 WeakPolarHBondContact O-CG 3.29Å; Q480-E484 PolarHBondContact O-N 3.24Å; K481-E484 IonicContact NZ-OE1 3.43Å; K481-E484 IonicContact NZ-OE2 3.58Å; K481-E484 PolarHBondContact NZ-OE2 2.89Å; K481-E484 PolarHBondContact O-N 2.95Å; E484-E487 PolarHBondContact O-N 3.44Å; E484-L488 WeakPolarHBondContact O-CB 3.31Å; E484-L488 VanDerWaalsContact O-CG 3.26Å; E484-L488 WeakPolarHBondContact O-CG 3.4Å; E484-L488 PolarHBondContact O-N 3.13Å |
| 485 | I | 94.9 | Very high | 94.7 | Very high | 96 Ų | 96 | 97.5 Ų | 97.5 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.6 | -46.1 | 174.7 | -70.3 | 163.9 | 0 | 0 | 0 | 110.7 | K481 N482 Q483 E487 L488 T489 | K481-I485 WeakPolarHBondContact O-CD1 3.44Å; K481-I485 VanDerWaalsContact O-CG1 3.24Å; K481-I485 WeakPolarHBondContact O-CG1 3.5Å; K481-I485 PolarHBondContact O-N 3.21Å; N482-I485 PolarHBondContact O-N 2.97Å; Q483-I485 VanDerWaalsContact C-N 3.29Å; Q483-I485 PolarHBondContact O-N 3.48Å; I485-E487 VanDerWaalsContact C-N 3.31Å; I485-E487 PolarHBondContact O-N 3.31Å; I485-L488 PolarHBondContact O-N 3.45Å; I485-T489 WeakPolarHBondContact O-CB 3.46Å; I485-T489 PolarHBondContact O-N 2.96Å; I485-T489 PolarHBondContact O-OG1 2.93Å |
| 486 | E | 95.1 | Very high | 94.3 | Very high | 107 Ų | 107 | 98 Ų | 98 | 50% | 0.5 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 175.9 | -76.3 | -175.3 | -155.1 | 0 | 0 | 112.6 | N482 Q483 T489 K490 | N482-E486 PolarHBondContact O-N 3.29Å; Q483-E486 PolarHBondContact O-N 2.9Å; E486-T489 PolarHBondContact O-N 3.31Å; E486-K490 WeakPolarHBondContact O-CB 3.35Å; E486-K490 WeakPolarHBondContact O-CD 3.45Å; E486-K490 WeakPolarHBondContact O-CG 3.19Å; E486-K490 PolarHBondContact O-N 2.63Å; E486-K490 IonicContact OE2-NZ 3.78Å; E486-K490 PolarHBondContact OE2-NZ 3.5Å |
| 487 | E | 94.8 | Very high | 93.8 | Very high | 91 Ų | 91 | 94.3 Ų | 94.3 | 43% | 0.425 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.8 | -43.5 | 176.6 | -73.2 | 175.9 | -164.7 | 0 | 0 | 111.5 | Q483 E484 I485 K490 I491 | Q483-E487 WeakPolarHBondContact CG-OE1 3.4Å; Q483-E487 PolarHBondContact NE2-OE1 2.93Å; Q483-E487 WeakPolarHBondContact O-CB 3.5Å; Q483-E487 WeakPolarHBondContact O-CG 3.4Å; Q483-E487 PolarHBondContact O-N 3.39Å; E484-E487 PolarHBondContact O-N 3.44Å; I485-E487 VanDerWaalsContact C-N 3.31Å; I485-E487 PolarHBondContact O-N 3.31Å; E487-K490 PolarHBondContact O-N 3.13Å; E487-I491 VanDerWaalsContact O-CG1 3.31Å; E487-I491 WeakPolarHBondContact O-CG1 3.45Å; E487-I491 PolarHBondContact O-N 3.32Å |
| 488 | L | 95.5 | Very high | 93.1 | Very high | 108 Ų | 108 | 98.4 Ų | 98.4 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.6 | -40.9 | 172.7 | -73.6 | 170.1 | 0 | 0 | 0 | 112.2 | E484 I485 I491 C492 | E484-L488 WeakPolarHBondContact O-CB 3.31Å; E484-L488 VanDerWaalsContact O-CG 3.26Å; E484-L488 WeakPolarHBondContact O-CG 3.4Å; E484-L488 PolarHBondContact O-N 3.13Å; I485-L488 PolarHBondContact O-N 3.45Å; L488-I491 PolarHBondContact O-N 2.87Å; L488-C492 PolarHBondContact O-N 3.47Å; L488-C492 PolarHBondContact O-SG 2.81Å |
| 489 | T | 93.2 | Very high | 92.1 | Very high | 68 Ų | 68 | 99.9 Ų | 99.9 | 42% | 0.417 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 175 | -61.1 | 0 | 0 | 0 | 0 | 110.9 | I485 E486 I491 C492 D493 | I485-T489 WeakPolarHBondContact O-CB 3.46Å; I485-T489 PolarHBondContact O-N 2.96Å; I485-T489 PolarHBondContact O-OG1 2.93Å; E486-T489 PolarHBondContact O-N 3.31Å; T489-I491 VanDerWaalsContact C-N 3.32Å; T489-I491 PolarHBondContact O-N 2.92Å; T489-C492 WeakPolarHBondContact O-CB 3.25Å; T489-C492 PolarHBondContact O-N 2.83Å; T489-C492 VanDerWaalsContact O-N 3.13Å; T489-D493 WeakPolarHBondContact O-CB 3.41Å; T489-D493 PolarHBondContact O-N 3.39Å |
| 490 | K | 93.9 | Very high | 90.6 | Very high | 108 Ų | 108 | 97.8 Ų | 97.8 | 47% | 0.47 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.6 | -43.5 | 173.8 | -73.2 | 159 | -167.8 | 153.1 | 0 | 111.8 | E486 E487 D493 E494 | E486-K490 WeakPolarHBondContact O-CB 3.35Å; E486-K490 WeakPolarHBondContact O-CD 3.45Å; E486-K490 WeakPolarHBondContact O-CG 3.19Å; E486-K490 PolarHBondContact O-N 2.63Å; E486-K490 IonicContact OE2-NZ 3.78Å; E486-K490 PolarHBondContact OE2-NZ 3.5Å; E487-K490 PolarHBondContact O-N 3.13Å; K490-D493 PolarHBondContact O-N 2.87Å; K490-E494 WeakPolarHBondContact O-CB 3.26Å; K490-E494 WeakPolarHBondContact O-CG 3.4Å; K490-E494 PolarHBondContact O-N 3.4Å |
| 491 | I | 93.3 | Very high | 88.8 | Confident | 103 Ų | 103 | 100.6 Ų | 100.6 | 53% | 0.528 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 176.6 | -67.3 | 163.6 | 0 | 0 | 0 | 111.4 | E487 L488 T489 L495 | E487-I491 VanDerWaalsContact O-CG1 3.31Å; E487-I491 WeakPolarHBondContact O-CG1 3.45Å; E487-I491 PolarHBondContact O-N 3.32Å; L488-I491 PolarHBondContact O-N 2.87Å; T489-I491 VanDerWaalsContact C-N 3.32Å; T489-I491 PolarHBondContact O-N 2.92Å; I491-L495 WeakPolarHBondContact O-CB 3.31Å; I491-L495 PolarHBondContact O-N 2.82Å |
| 492 | C | 90.5 | Very high | 86.7 | Confident | 71 Ų | 71 | 100.4 Ų | 100.4 | 48% | 0.48 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 175.1 | -72.2 | 0 | 0 | 0 | 0 | 112 | L488 T489 L495 I496 | L488-C492 PolarHBondContact O-N 3.47Å; L488-C492 PolarHBondContact O-SG 2.81Å; T489-C492 WeakPolarHBondContact O-CB 3.25Å; T489-C492 PolarHBondContact O-N 2.83Å; T489-C492 VanDerWaalsContact O-N 3.13Å; C492-L495 WeakPolarHBondContact O-CB 3.49Å; C492-L495 PolarHBondContact O-N 3.21Å; C492-L495 VanDerWaalsContact O-N 3.13Å; C492-I496 VanDerWaalsContact O-CG1 3.31Å; C492-I496 WeakPolarHBondContact O-CG1 3.4Å; C492-I496 PolarHBondContact O-N 3.32Å |
| 493 | D | 92.3 | Very high | 84.3 | Confident | 92 Ų | 92 | 108 Ų | 108 | 49% | 0.492 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.8 | -40.5 | 177.4 | -70.8 | -24.5 | 0 | 0 | 0 | 111.5 | T489 K490 L495 I496 A497 | T489-D493 WeakPolarHBondContact O-CB 3.41Å; T489-D493 PolarHBondContact O-N 3.39Å; K490-D493 PolarHBondContact O-N 2.87Å; D493-L495 VanDerWaalsContact C-N 3.32Å; D493-L495 PolarHBondContact O-N 3.46Å; D493-I496 PolarHBondContact O-N 3.36Å; D493-A497 VanDerWaalsContact O-CB 3.25Å; D493-A497 WeakPolarHBondContact O-CB 3.41Å; D493-A497 PolarHBondContact O-N 3.21Å |
| 494 | E | 89.8 | Confident | 83.6 | Confident | 110 Ų | 110 | 107.8 Ų | 107.8 | 51% | 0.514 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.9 | -38.7 | 171 | -82.7 | -170.3 | -150.6 | 0 | 0 | 112.7 | K490 K498 | K490-E494 WeakPolarHBondContact O-CB 3.26Å; K490-E494 WeakPolarHBondContact O-CG 3.4Å; K490-E494 PolarHBondContact O-N 3.4Å; E494-K498 WeakPolarHBondContact O-CD 3.3Å; E494-K498 VanDerWaalsContact O-CG 3.3Å; E494-K498 WeakPolarHBondContact O-CG 3.46Å; E494-K498 PolarHBondContact O-N 3.1Å; E494-K498 IonicContact OE2-NZ 3.97Å; E494-K498 PolarHBondContact OE2-NZ 3.2Å |
| 495 | L | 89.7 | Confident | 83 | Confident | 110 Ų | 110 | 110.1 Ų | 110.1 | 58% | 0.576 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.6 | -44.2 | 177.7 | -156.2 | 91 | 0 | 0 | 0 | 110.8 | I491 C492 D493 A497 K498 M499 | I491-L495 WeakPolarHBondContact O-CB 3.31Å; I491-L495 PolarHBondContact O-N 2.82Å; C492-L495 WeakPolarHBondContact O-CB 3.49Å; C492-L495 PolarHBondContact O-N 3.21Å; C492-L495 VanDerWaalsContact O-N 3.13Å; D493-L495 VanDerWaalsContact C-N 3.32Å; D493-L495 PolarHBondContact O-N 3.46Å; L495-A497 VanDerWaalsContact C-N 3.35Å; L495-K498 PolarHBondContact O-N 2.93Å; L495-M499 WeakPolarHBondContact O-CG 3.48Å; L495-M499 PolarHBondContact O-N 3.04Å |
| 496 | I | 87.6 | Confident | 82.4 | Confident | 112 Ų | 112 | 110.9 Ų | 110.9 | 57% | 0.574 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -60.1 | -45.4 | 174.2 | -68.7 | 163.6 | 0 | 0 | 0 | 110 | C492 D493 K498 M499 G500 | C492-I496 VanDerWaalsContact O-CG1 3.31Å; C492-I496 WeakPolarHBondContact O-CG1 3.4Å; C492-I496 PolarHBondContact O-N 3.32Å; D493-I496 PolarHBondContact O-N 3.36Å; I496-K498 VanDerWaalsContact C-N 3.26Å; I496-K498 PolarHBondContact O-N 2.98Å; I496-M499 PolarHBondContact O-N 3.34Å; I496-G500 PolarHBondContact O-N 2.84Å |
| 497 | A | 86.6 | Confident | 81.6 | Confident | 55 Ų | 55 | 111.1 Ų | 111.1 | 46% | 0.455 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.5 | -21.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D493 L495 K501 | D493-A497 VanDerWaalsContact O-CB 3.25Å; D493-A497 WeakPolarHBondContact O-CB 3.41Å; D493-A497 PolarHBondContact O-N 3.21Å; L495-A497 VanDerWaalsContact C-N 3.35Å; A497-K501 WeakPolarHBondContact O-CD 3.46Å; A497-K501 WeakPolarHBondContact O-CG 3.42Å |
| 498 | K | 81.9 | Confident | 80.8 | Confident | 133 Ų | 133 | 112.4 Ų | 112.4 | 58% | 0.578 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -80.4 | -41.6 | 169.9 | -76.3 | 163.7 | -176.7 | 152.5 | 0 | 111.7 | E494 L495 I496 | E494-K498 WeakPolarHBondContact O-CD 3.3Å; E494-K498 VanDerWaalsContact O-CG 3.3Å; E494-K498 WeakPolarHBondContact O-CG 3.46Å; E494-K498 PolarHBondContact O-N 3.1Å; E494-K498 IonicContact OE2-NZ 3.97Å; E494-K498 PolarHBondContact OE2-NZ 3.2Å; L495-K498 PolarHBondContact O-N 2.93Å; I496-K498 VanDerWaalsContact C-N 3.26Å; I496-K498 PolarHBondContact O-N 2.98Å |
| 499 | M | 77.1 | Confident | 79.8 | Confident | 133 Ų | 133 | 112.7 Ų | 112.7 | 66% | 0.655 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -72.5 | -37.7 | 179.4 | -70.2 | -64 | -64.8 | 0 | 0 | 112.9 | L495 I496 K501 V502 | L495-M499 WeakPolarHBondContact O-CG 3.48Å; L495-M499 PolarHBondContact O-N 3.04Å; I496-M499 PolarHBondContact O-N 3.34Å; M499-K501 PolarHBondContact O-N 3.43Å; M499-K501 VanDerWaalsContact O-N 3.1Å; M499-V502 PolarHBondContact O-N 2.99Å |
| 500 | G | 65 | Low | 78.9 | Confident | 72 Ų | 72 | 115.9 Ų | 115.9 | 74% | 0.742 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 9.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | I496 | I496-G500 PolarHBondContact O-N 2.84Š|
| 501 | K | 59 | Low | 77.7 | Confident | 173 Ų | 173 | 116.5 Ų | 116.5 | 75% | 0.752 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | 12.6 | 170.8 | -72.8 | -179.6 | 179.9 | 180 | 0 | 112.7 | A497 M499 | A497-K501 WeakPolarHBondContact O-CD 3.46Å; A497-K501 WeakPolarHBondContact O-CG 3.42Å; M499-K501 PolarHBondContact O-N 3.43Å; M499-K501 VanDerWaalsContact O-N 3.1Å |
| 502 | V | 53.1 | Low | 76.4 | Confident | 111 Ų | 111 | 117.6 Ų | 117.6 | 67% | 0.673 | 65% | 0.647 | S | S | * | * | trans | -99 | 73 | 173.5 | -172.6 | 0 | 0 | 0 | 0 | 108.9 | M499 | M499-V502 PolarHBondContact O-N 2.99Š| ||
| 503 | D | 44.5 | Very low | 75.1 | Confident | 239 Ų | 239 | 121.8 Ų | 121.8 | 100% | 1.278 | 66% | 0.663 | S | S | * | * | trans | -157.3 | 0 | 160.4 | -94 | -34.3 | 0 | 0 | 0 | 108.5 |
Retrieved 503 of 503 residues in 84.6 ms
(Link to these results)