| 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 | 38.8 | Very low | 36.8 | Very low | 235 Ų | 235 | 132.2 Ų | 132.2 | 100% | 1.158 | 81% | 0.811 | S | S | * | * | 0 | 80 | 0 | -46.7 | -64.7 | -161.8 | 0 | 0 | 106.9 | |||||
| 2 | A | 35.1 | Very low | 36.5 | Very low | 95 Ų | 95 | 127.3 Ų | 127.3 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | 60.8 | 140.2 | 54.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 3 | S | 36.8 | Very low | 36 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | cis | -176.1 | 157.8 | -8 | 42 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 4 | L | 39.1 | Very low | 35.9 | Very low | 154 Ų | 154 | 132.4 Ų | 132.4 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | cis | -156.2 | 159.5 | 3 | -130.9 | 163.3 | 0 | 0 | 0 | 108.1 | Q6 | L4-Q6 HydrophobicContact CD2-CG 4.48Š| ||
| 5 | G | 31.2 | Very low | 36.2 | Very low | 71 Ų | 71 | 132.5 Ų | 132.5 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | trans | -138.8 | 120.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 6 | Q | 42.3 | Very low | 36.8 | Very low | 163 Ų | 163 | 132.1 Ų | 132.1 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -145.6 | 149.8 | 166.8 | -82.2 | -165.7 | -19.3 | 0 | 0 | 107.8 | L4 | L4-Q6 HydrophobicContact CD2-CG 4.48Š| ||
| 7 | P | 42.5 | Very low | 36.4 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | -130.7 | 161.2 | 92.8 | 32.3 | -20.1 | 0 | 0 | 0 | 113.3 | |||||
| 8 | A | 35.7 | Very low | 36.1 | Very low | 71 Ų | 71 | 132 Ų | 132 | 59% | 0.587 | 81% | 0.807 | S | S | * | * | trans | -123.6 | 159.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 9 | S | 34.5 | Very low | 35.9 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | 59.5 | 124.7 | 168.8 | 54.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 10 | M | 35.8 | Very low | 36 | Very low | 180 Ų | 180 | 132.5 Ų | 132.5 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | cis | 93.8 | 129 | 40.7 | -83.6 | -143 | 172 | 0 | 0 | 115.7 | ||||
| 11 | V | 33 | Very low | 35.8 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 79% | 0.788 | 81% | 0.808 | S | S | * | * | trans | 90.6 | 102 | 150.7 | 175.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 12 | A | 33.2 | Very low | 35.5 | Very low | 73 Ų | 73 | 124.9 Ų | 124.9 | 60% | 0.603 | 79% | 0.789 | S | S | * | * | trans | 43.9 | 119.3 | 133.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 13 | N | 30.4 | Very low | 35.5 | Very low | 158 Ų | 158 | 125.5 Ų | 125.5 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | 179.5 | 118.5 | 101.5 | -88.3 | -34.4 | 0 | 0 | 0 | 111.9 | |||||
| 14 | L | 34.2 | Very low | 35.4 | Very low | 168 Ų | 168 | 126.7 Ų | 126.7 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | trans | -135.1 | 140.2 | 162.1 | -63.8 | 170.5 | 0 | 0 | 0 | 104 | ||||
| 15 | V | 41.3 | Very low | 35.3 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | cis | -146.5 | -165.5 | 29.2 | -130.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 16 | P | 45.4 | Very low | 35.5 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | cis | -133 | 159.8 | 5.5 | 39.3 | -20.7 | 0 | 0 | 0 | 116.9 | ||||
| 17 | G | 29.8 | Very low | 35.1 | Very low | 66 Ų | 66 | 128.2 Ų | 128.2 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | trans | 174.1 | 98.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 18 | M | 30.6 | Very low | 34.9 | Very low | 197 Ų | 197 | 127.8 Ų | 127.8 | 97% | 0.97 | 81% | 0.808 | S | S | * | * | trans | 64.4 | 106.5 | 145.2 | -52.5 | -169.5 | 87.1 | 0 | 0 | 120.8 | ||||
| 19 | G | 33.6 | Very low | 35.1 | Very low | 74 Ų | 74 | 129.4 Ų | 129.4 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | trans | -129.3 | 84 | 159.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 20 | K | 37.1 | Very low | 35.4 | Very low | 199 Ų | 199 | 127.2 Ų | 127.2 | 87% | 0.865 | 82% | 0.817 | S | S | * | * | trans | 50.3 | 113.7 | 153.2 | -55.1 | 175.5 | -177 | 177.5 | 0 | 119.6 | ||||
| 21 | S | 32.6 | Very low | 36 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | 166.6 | 148.8 | 104.8 | -75.8 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 22 | A | 31.9 | Very low | 36.7 | Very low | 91 Ų | 91 | 124.1 Ų | 124.1 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | 50.2 | 101.1 | 154.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 23 | A | 34.3 | Very low | 37.6 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | trans | -87.4 | 112.9 | 146.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 24 | V | 34.9 | Very low | 39 | Very low | 130 Ų | 130 | 119.5 Ų | 119.5 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | trans | -96.6 | 123.7 | 163.9 | 170.3 | 0 | 0 | 0 | 0 | 107.4 | G26 | V24-G26 PolarHBondContact O-N 2.8Š| ||
| 25 | L | 38.2 | Very low | 40.3 | Very low | 178 Ų | 178 | 118.5 Ų | 118.5 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | trans | -73.5 | 115.6 | 164.4 | -83.1 | 170.5 | 0 | 0 | 0 | 108.5 | ||||
| 26 | G | 34.9 | Very low | 41.6 | Very low | 64 Ų | 64 | 118 Ų | 118 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | trans | -82.6 | 141.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | V24 | V24-G26 PolarHBondContact O-N 2.8Š| ||
| 27 | L | 34.1 | Very low | 42.9 | Very low | 179 Ų | 179 | 118.7 Ų | 118.7 | 94% | 0.937 | 77% | 0.774 | S | S | * | * | trans | -133.1 | 89.7 | 147.5 | -87.7 | 177.8 | 0 | 0 | 0 | 108.9 | ||||
| 28 | S | 37.3 | Very low | 45 | Very low | 126 Ų | 126 | 120.2 Ų | 120.2 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | trans | -170.6 | 149.4 | 144.6 | 50.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 29 | A | 39.7 | Very low | 47.3 | Very low | 106 Ų | 106 | 116.1 Ų | 116.1 | 88% | 0.876 | 75% | 0.745 | S | S | * | * | trans | -87.5 | 146.6 | -168 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 30 | G | 42.3 | Very low | 49.5 | Very low | 67 Ų | 67 | 118.9 Ų | 118.9 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 98 | 121.5 | 142.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 31 | L | 47 | Very low | 51.7 | Low | 194 Ų | 194 | 114.7 Ų | 114.7 | 100% | 1.016 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 70.4 | 36.9 | 139.1 | -60.1 | 164.1 | 0 | 0 | 0 | 119.2 | ||
| 32 | G | 49 | Very low | 54.1 | Low | 50 Ų | 50 | 114.5 Ų | 114.5 | 52% | 0.515 | 71% | 0.71 | S | S | . | * | trans | -133.7 | -12.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 33 | G | 51.8 | Low | 56.5 | Low | 52 Ų | 52 | 115 Ų | 115 | 54% | 0.536 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -75.8 | -33.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116 | E35 L36 E37 | G33-E35 VanDerWaalsContact C-N 3.29Å; G33-E35 PolarHBondContact O-N 2.97Å; G33-L36 PolarHBondContact O-N 2.72Å; G33-E37 PolarHBondContact O-N 3.21Å |
| 34 | A | 59.5 | Low | 58.9 | Low | 82 Ų | 82 | 113.1 Ų | 113.1 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -66.3 | -28.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L38 | A34-L38 WeakPolarHBondContact O-CB 3.36Å; A34-L38 PolarHBondContact O-N 2.95Å; A34-L38 VanDerWaalsContact O-N 3.11Å |
| 35 | E | 62.3 | Low | 61.3 | Low | 147 Ų | 147 | 111.9 Ų | 111.9 | 69% | 0.687 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -77.1 | -35.9 | -176.7 | -168.2 | 166.3 | -168.2 | 0 | 0 | 112.4 | G33 L38 Q39 | G33-E35 VanDerWaalsContact C-N 3.29Å; G33-E35 PolarHBondContact O-N 2.97Å; E35-L38 PolarHBondContact O-N 3.46Å; E35-Q39 PolarHBondContact O-N 3.48Å |
| 36 | L | 67.7 | Low | 63.6 | Low | 124 Ų | 124 | 111.9 Ų | 111.9 | 65% | 0.649 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.5 | -38.9 | 175.6 | -98.6 | 149.6 | 0 | 0 | 0 | 112.5 | G33 K40 | G33-L36 PolarHBondContact O-N 2.72Å; L36-K40 PolarHBondContact O-N 3.37Å |
| 37 | E | 71.8 | Confident | 66.1 | Low | 141 Ų | 141 | 112.8 Ų | 112.8 | 66% | 0.659 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.5 | -37.1 | 172.8 | -69.6 | -172.3 | 146.4 | 0 | 0 | 111.8 | G33 K40 M41 | G33-E37 PolarHBondContact O-N 3.21Å; E37-K40 PolarHBondContact O-N 2.84Å; E37-M41 WeakPolarHBondContact O-CG 3.42Å; E37-M41 PolarHBondContact O-N 3.05Å |
| 38 | L | 75.7 | Confident | 68.6 | Low | 97 Ų | 97 | 108.8 Ų | 108.8 | 51% | 0.508 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.4 | -43.6 | 174 | -156 | 90.2 | 0 | 0 | 0 | 112 | A34 E35 K40 M41 L42 | A34-L38 WeakPolarHBondContact O-CB 3.36Å; A34-L38 PolarHBondContact O-N 2.95Å; A34-L38 VanDerWaalsContact O-N 3.11Å; E35-L38 PolarHBondContact O-N 3.46Å; L38-K40 VanDerWaalsContact C-N 3.33Å; L38-K40 PolarHBondContact O-N 2.65Å; L38-M41 HydrophobicContact CD1-CE 4.05Å; L38-M41 PolarHBondContact O-N 2.65Å; L38-L42 HydrophobicContact CD2-CD1 4.47Å; L38-L42 WeakPolarHBondContact O-CG 3.01Å; L38-L42 PolarHBondContact O-N 3.06Å |
| 39 | Q | 77.4 | Confident | 70.9 | Confident | 112 Ų | 112 | 106.1 Ų | 106.1 | 52% | 0.523 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -59.6 | -42.9 | 173.6 | -84.4 | -171 | -10.6 | 0 | 0 | 112 | E35 L42 I43 | E35-Q39 PolarHBondContact O-N 3.48Å; Q39-L42 PolarHBondContact O-N 2.67Å; Q39-I43 WeakPolarHBondContact O-CG1 3.41Å; Q39-I43 PolarHBondContact O-N 3.32Å |
| 40 | K | 80.9 | Confident | 73.3 | Confident | 132 Ų | 132 | 106.4 Ų | 106.4 | 57% | 0.574 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.2 | -47 | 176.5 | -175.1 | -177.9 | 172.6 | -171.4 | 0 | 111.6 | L36 E37 L38 L42 I43 D44 | L36-K40 PolarHBondContact O-N 3.37Å; E37-K40 PolarHBondContact O-N 2.84Å; L38-K40 VanDerWaalsContact C-N 3.33Å; L38-K40 PolarHBondContact O-N 2.65Å; K40-L42 VanDerWaalsContact C-N 3.3Å; K40-L42 PolarHBondContact O-N 3.24Å; K40-I43 PolarHBondContact O-N 3.12Å; K40-I43 VanDerWaalsContact O-N 3.17Å; K40-D44 PolarHBondContact O-N 3.33Å |
| 41 | M | 82.8 | Confident | 75.5 | Confident | 111 Ų | 111 | 107.2 Ų | 107.2 | 55% | 0.547 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.3 | -38.2 | 175.7 | -71.9 | -167.9 | -63.7 | 0 | 0 | 112.4 | E37 L38 D44 E45 | E37-M41 WeakPolarHBondContact O-CG 3.42Å; E37-M41 PolarHBondContact O-N 3.05Å; L38-M41 HydrophobicContact CD1-CE 4.05Å; L38-M41 PolarHBondContact O-N 2.65Å; M41-D44 PolarHBondContact O-N 3.05Å; M41-E45 WeakPolarHBondContact O-CB 3.3Å; M41-E45 WeakPolarHBondContact O-CG 3.37Å; M41-E45 PolarHBondContact O-N 2.7Å |
| 42 | L | 83.2 | Confident | 77.6 | Confident | 113 Ų | 113 | 104.2 Ų | 104.2 | 59% | 0.592 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.7 | -35.7 | 175.6 | -75.3 | 166.4 | 0 | 0 | 0 | 112.9 | L38 Q39 K40 R46 | L38-L42 HydrophobicContact CD2-CD1 4.47Å; L38-L42 WeakPolarHBondContact O-CG 3.01Å; L38-L42 PolarHBondContact O-N 3.06Å; Q39-L42 PolarHBondContact O-N 2.67Å; K40-L42 VanDerWaalsContact C-N 3.3Å; K40-L42 PolarHBondContact O-N 3.24Å; L42-R46 VanDerWaalsContact O-CB 3.27Å; L42-R46 WeakPolarHBondContact O-CB 3.33Å; L42-R46 PolarHBondContact O-N 3.36Å |
| 43 | I | 81.8 | Confident | 79.7 | Confident | 101 Ų | 101 | 109.8 Ų | 109.8 | 52% | 0.518 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -69.2 | -46.2 | 173.7 | -68.1 | 166.4 | 0 | 0 | 0 | 110.3 | Q39 K40 E45 R46 I47 | Q39-I43 WeakPolarHBondContact O-CG1 3.41Å; Q39-I43 PolarHBondContact O-N 3.32Å; K40-I43 PolarHBondContact O-N 3.12Å; K40-I43 VanDerWaalsContact O-N 3.17Å; I43-E45 PolarHBondContact O-N 3.33Å; I43-R46 WeakPolarHBondContact O-CB 3.43Å; I43-R46 PolarHBondContact O-N 3.19Å; I43-I47 HydrophobicContact CG2-CD1 3.85Å; I43-I47 WeakPolarHBondContact O-CG1 3.37Å; I43-I47 PolarHBondContact O-N 3.05Å |
| 44 | D | 84.5 | Confident | 81.5 | Confident | 69 Ų | 69 | 110.1 Ų | 110.1 | 37% | 0.369 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 178.5 | -72.1 | -23.9 | 0 | 0 | 0 | 111.4 | K40 M41 I47 K48 | K40-D44 PolarHBondContact O-N 3.33Å; M41-D44 PolarHBondContact O-N 3.05Å; D44-I47 PolarHBondContact O-N 3.47Å; D44-K48 VanDerWaalsContact O-CG 3.27Å; D44-K48 WeakPolarHBondContact O-CG 3.28Å; D44-K48 PolarHBondContact O-N 2.89Å |
| 45 | E | 85.3 | Confident | 83 | Confident | 104 Ų | 104 | 111 Ų | 111 | 49% | 0.486 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67 | -36.5 | 173 | -75.7 | -53 | 131.1 | 0 | 0 | 112.7 | M41 I43 K48 S49 | M41-E45 WeakPolarHBondContact O-CB 3.3Å; M41-E45 WeakPolarHBondContact O-CG 3.37Å; M41-E45 PolarHBondContact O-N 2.7Å; I43-E45 PolarHBondContact O-N 3.33Å; E45-K48 PolarHBondContact O-N 3.43Å; E45-K48 WeakPolarHBondContact OE1-CD 3.3Å; E45-K48 WeakPolarHBondContact OE1-CE 3.43Å; E45-K48 IonicContact OE1-NZ 3.94Å; E45-K48 PolarHBondContact OE1-NZ 2.95Å; E45-S49 WeakPolarHBondContact O-CB 3.34Å; E45-S49 PolarHBondContact O-N 2.76Å; E45-S49 PolarHBondContact O-OG 3.22Å |
| 46 | R | 87.4 | Confident | 84.5 | Confident | 178 Ų | 178 | 111.5 Ų | 111.5 | 67% | 0.672 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.1 | -47.5 | 173.4 | -173.6 | 174.8 | 179.5 | 172.8 | 0.7 | 110.8 | L42 I43 K48 S49 E50 | L42-R46 VanDerWaalsContact O-CB 3.27Å; L42-R46 WeakPolarHBondContact O-CB 3.33Å; L42-R46 PolarHBondContact O-N 3.36Å; I43-R46 WeakPolarHBondContact O-CB 3.43Å; I43-R46 PolarHBondContact O-N 3.19Å; R46-K48 PolarHBondContact O-N 2.66Å; R46-S49 PolarHBondContact O-N 2.77Å; R46-S49 PolarHBondContact O-OG 3.47Å; R46-E50 WeakPolarHBondContact O-CB 3.11Å; R46-E50 PolarHBondContact O-N 3.3Å |
| 47 | I | 86.4 | Confident | 85.7 | Confident | 84 Ų | 84 | 110.4 Ų | 110.4 | 43% | 0.431 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 176.5 | -68.2 | 167.4 | 0 | 0 | 0 | 111 | I43 D44 E50 N51 | I43-I47 HydrophobicContact CG2-CD1 3.85Å; I43-I47 WeakPolarHBondContact O-CG1 3.37Å; I43-I47 PolarHBondContact O-N 3.05Å; D44-I47 PolarHBondContact O-N 3.47Å; I47-E50 PolarHBondContact O-N 3.25Å; I47-N51 WeakPolarHBondContact O-CB 3.42Å; I47-N51 PolarHBondContact O-N 3.13Å; I47-N51 PolarHBondContact O-ND2 3.38Å |
| 48 | K | 87.9 | Confident | 86.7 | Confident | 94 Ų | 94 | 107.1 Ų | 107.1 | 41% | 0.409 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 172.9 | -71.4 | 172.2 | -154.7 | 169.9 | 0 | 111.7 | D44 E45 R46 E50 N51 H52 | D44-K48 VanDerWaalsContact O-CG 3.27Å; D44-K48 WeakPolarHBondContact O-CG 3.28Å; D44-K48 PolarHBondContact O-N 2.89Å; E45-K48 PolarHBondContact O-N 3.43Å; E45-K48 WeakPolarHBondContact OE1-CD 3.3Å; E45-K48 WeakPolarHBondContact OE1-CE 3.43Å; E45-K48 IonicContact OE1-NZ 3.94Å; E45-K48 PolarHBondContact OE1-NZ 2.95Å; R46-K48 PolarHBondContact O-N 2.66Å; K48-E50 VanDerWaalsContact C-N 3.28Å; K48-E50 PolarHBondContact O-N 2.64Å; K48-N51 CarbonylContact O-C 3.6Å; K48-N51 PolarHBondContact O-N 3.38Å; K48-H52 WeakPolarHBondContact O-CB 3.24Å; K48-H52 PolarHBondContact O-CD2 3.09Å; K48-H52 VanDerWaalsContact O-CG 3.32Å; K48-H52 PolarHBondContact O-N 3.11Å |
| 49 | S | 85.1 | Confident | 87.5 | Confident | 70 Ų | 70 | 107.7 Ų | 107.7 | 49% | 0.49 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -36.1 | 179.1 | 79.2 | 0 | 0 | 0 | 0 | 112.4 | E45 R46 R53 | E45-S49 WeakPolarHBondContact O-CB 3.34Å; E45-S49 PolarHBondContact O-N 2.76Å; E45-S49 PolarHBondContact O-OG 3.22Å; R46-S49 PolarHBondContact O-N 2.77Å; R46-S49 PolarHBondContact O-OG 3.47Å; S49-R53 WeakPolarHBondContact O-CB 3.46Å; S49-R53 PolarHBondContact O-N 2.75Å |
| 50 | E | 88.8 | Confident | 88.4 | Confident | 112 Ų | 112 | 108.4 Ų | 108.4 | 52% | 0.523 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -72.6 | -40.7 | 176.7 | -166.8 | 145.7 | -144.7 | 0 | 0 | 111.2 | R46 I47 K48 R53 T54 | R46-E50 WeakPolarHBondContact O-CB 3.11Å; R46-E50 PolarHBondContact O-N 3.3Å; I47-E50 PolarHBondContact O-N 3.25Å; K48-E50 VanDerWaalsContact C-N 3.28Å; K48-E50 PolarHBondContact O-N 2.64Å; E50-R53 WeakPolarHBondContact O-CB 3.12Å; E50-R53 PolarHBondContact O-N 3.43Å; E50-T54 WeakPolarHBondContact O-CG2 3.45Å; E50-T54 PolarHBondContact O-N 3.37Å; E50-T54 PolarHBondContact O-OG1 3.15Å |
| 51 | N | 89.4 | Confident | 88.9 | Confident | 85 Ų | 85 | 104.7 Ų | 104.7 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.4 | -38 | 171 | -72.6 | -23.3 | 0 | 0 | 0 | 112.9 | I47 K48 R53 T54 N55 | I47-N51 WeakPolarHBondContact O-CB 3.42Å; I47-N51 PolarHBondContact O-N 3.13Å; I47-N51 PolarHBondContact O-ND2 3.38Å; K48-N51 CarbonylContact O-C 3.6Å; K48-N51 PolarHBondContact O-N 3.38Å; N51-R53 VanDerWaalsContact C-N 3.33Å; N51-T54 WeakPolarHBondContact CA-OG1 3.12Å; N51-T54 PolarHBondContact O-OG1 3.19Å; N51-N55 WeakPolarHBondContact O-CB 3.04Å; N51-N55 PolarHBondContact O-N 3.09Å; N51-N55 PolarHBondContact O-ND2 3.46Å |
| 52 | H | 90.9 | Very high | 89.4 | Confident | 131 Ų | 131 | 104.5 Ų | 104.5 | 61% | 0.606 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.9 | -35.9 | 173.4 | -71.3 | -53.8 | 0 | 0 | 0 | 111.3 | K48 Y56 | K48-H52 WeakPolarHBondContact O-CB 3.24Å; K48-H52 PolarHBondContact O-CD2 3.09Å; K48-H52 VanDerWaalsContact O-CG 3.32Å; K48-H52 PolarHBondContact O-N 3.11Å; H52-Y56 VanDerWaalsContact O-CB 3.27Å; H52-Y56 WeakPolarHBondContact O-CB 3.14Å; H52-Y56 PolarHBondContact O-N 3.44Å |
| 53 | R | 93.1 | Very high | 89.9 | Confident | 167 Ų | 167 | 104.6 Ų | 104.6 | 63% | 0.63 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.8 | -45.3 | 174 | 178 | 178.5 | 176 | 154 | -2.5 | 112.1 | S49 E50 N51 Y56 Q57 | S49-R53 WeakPolarHBondContact O-CB 3.46Å; S49-R53 PolarHBondContact O-N 2.75Å; E50-R53 WeakPolarHBondContact O-CB 3.12Å; E50-R53 PolarHBondContact O-N 3.43Å; N51-R53 VanDerWaalsContact C-N 3.33Å; R53-Y56 PolarHBondContact O-N 3.47Å; R53-Q57 WeakPolarHBondContact O-CB 3.2Å; R53-Q57 VanDerWaalsContact O-CG 3.28Å; R53-Q57 WeakPolarHBondContact O-CG 3.47Å; R53-Q57 PolarHBondContact O-N 3.25Å |
| 54 | T | 89.8 | Confident | 90.5 | Very high | 58 Ų | 58 | 103 Ų | 103 | 36% | 0.356 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.4 | -45.7 | 176.4 | 53.6 | 0 | 0 | 0 | 0 | 110.7 | E50 N51 Y56 Q57 T58 | E50-T54 WeakPolarHBondContact O-CG2 3.45Å; E50-T54 PolarHBondContact O-N 3.37Å; E50-T54 PolarHBondContact O-OG1 3.15Å; N51-T54 WeakPolarHBondContact CA-OG1 3.12Å; N51-T54 PolarHBondContact O-OG1 3.19Å; T54-Y56 VanDerWaalsContact C-N 3.31Å; T54-Y56 PolarHBondContact O-N 3.49Å; T54-Q57 CarbonylContact O-C 3.59Å; T54-Q57 WeakPolarHBondContact O-CA 3.48Å; T54-Q57 WeakPolarHBondContact O-CB 3.3Å; T54-Q57 PolarHBondContact O-N 3.25Å; T54-T58 PolarHBondContact O-N 3.46Å; T54-T58 PolarHBondContact O-OG1 2.89Å; T54-T58 VanDerWaalsContact O-OG1 3.09Å |
| 55 | N | 91.5 | Very high | 91 | Very high | 102 Ų | 102 | 102.1 Ų | 102.1 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.9 | -41.4 | 175 | -72.4 | -16.4 | 0 | 0 | 0 | 112.4 | N51 T58 L59 | N51-N55 WeakPolarHBondContact O-CB 3.04Å; N51-N55 PolarHBondContact O-N 3.09Å; N51-N55 PolarHBondContact O-ND2 3.46Å; N55-T58 PolarHBondContact O-N 3.45Å; N55-L59 VanDerWaalsContact O-CB 3.27Å; N55-L59 WeakPolarHBondContact O-CB 3.42Å; N55-L59 PolarHBondContact O-N 3.44Å |
| 56 | Y | 93.9 | Very high | 91.5 | Very high | 157 Ų | 157 | 102.5 Ų | 102.5 | 62% | 0.616 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.8 | -37.5 | 174.1 | 177.4 | -105 | 0 | 0 | 0 | 112.6 | H52 R53 T54 K60 | H52-Y56 VanDerWaalsContact O-CB 3.27Å; H52-Y56 WeakPolarHBondContact O-CB 3.14Å; H52-Y56 PolarHBondContact O-N 3.44Å; R53-Y56 PolarHBondContact O-N 3.47Å; T54-Y56 VanDerWaalsContact C-N 3.31Å; T54-Y56 PolarHBondContact O-N 3.49Å; Y56-K60 WeakPolarHBondContact O-CB 3.47Å; Y56-K60 PolarHBondContact O-N 2.92Å |
| 57 | Q | 93.1 | Very high | 91.8 | Very high | 101 Ų | 101 | 99 Ų | 99 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 175.1 | -74.7 | 174.6 | -19.4 | 0 | 0 | 111.9 | R53 T54 K60 A61 | R53-Q57 WeakPolarHBondContact O-CB 3.2Å; R53-Q57 VanDerWaalsContact O-CG 3.28Å; R53-Q57 WeakPolarHBondContact O-CG 3.47Å; R53-Q57 PolarHBondContact O-N 3.25Å; T54-Q57 CarbonylContact O-C 3.59Å; T54-Q57 WeakPolarHBondContact O-CA 3.48Å; T54-Q57 WeakPolarHBondContact O-CB 3.3Å; T54-Q57 PolarHBondContact O-N 3.25Å; Q57-K60 PolarHBondContact O-N 3.08Å; Q57-A61 WeakPolarHBondContact O-CB 3.28Å; Q57-A61 PolarHBondContact O-N 3.18Å |
| 58 | T | 91.3 | Very high | 92.2 | Very high | 71 Ų | 71 | 99.2 Ų | 99.2 | 44% | 0.436 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -51.5 | 174.2 | -53.5 | 0 | 0 | 0 | 0 | 110.8 | T54 N55 K60 A61 E62 | T54-T58 PolarHBondContact O-N 3.46Å; T54-T58 PolarHBondContact O-OG1 2.89Å; T54-T58 VanDerWaalsContact O-OG1 3.09Å; N55-T58 PolarHBondContact O-N 3.45Å; T58-K60 VanDerWaalsContact C-N 3.28Å; T58-K60 PolarHBondContact O-N 2.76Å; T58-A61 WeakPolarHBondContact O-CB 3.37Å; T58-A61 PolarHBondContact O-N 2.77Å; T58-E62 WeakPolarHBondContact O-CG 3.45Å; T58-E62 PolarHBondContact O-N 3.46Å |
| 59 | L | 93.3 | Very high | 92.6 | Very high | 110 Ų | 110 | 100 Ų | 100 | 58% | 0.576 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.1 | -36.3 | 178.8 | -173.9 | 66.9 | 0 | 0 | 0 | 112.1 | N55 H63 | N55-L59 VanDerWaalsContact O-CB 3.27Å; N55-L59 WeakPolarHBondContact O-CB 3.42Å; N55-L59 PolarHBondContact O-N 3.44Å; L59-H63 VanDerWaalsContact O-CB 3.28Å; L59-H63 WeakPolarHBondContact O-CB 3.48Å; L59-H63 PolarHBondContact O-N 3.28Å |
| 60 | K | 95.1 | Very high | 93 | Very high | 126 Ų | 126 | 103 Ų | 103 | 55% | 0.548 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.5 | -42.2 | 173.3 | -177.5 | 177.3 | 177.2 | -177.8 | 0 | 111.7 | Y56 Q57 T58 H63 T64 | Y56-K60 WeakPolarHBondContact O-CB 3.47Å; Y56-K60 PolarHBondContact O-N 2.92Å; Q57-K60 PolarHBondContact O-N 3.08Å; T58-K60 VanDerWaalsContact C-N 3.28Å; T58-K60 PolarHBondContact O-N 2.76Å; K60-H63 PolarHBondContact O-N 3.46Å; K60-T64 WeakPolarHBondContact O-CG2 3.19Å; K60-T64 PolarHBondContact O-N 3Å; K60-T64 PolarHBondContact O-OG1 2.73Å; K60-T64 VanDerWaalsContact O-OG1 3.1Å |
| 61 | A | 93.1 | Very high | 93.3 | Very high | 54 Ų | 54 | 101.3 Ų | 101.3 | 45% | 0.446 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64 | -45.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q57 T58 T64 S65 | Q57-A61 WeakPolarHBondContact O-CB 3.28Å; Q57-A61 PolarHBondContact O-N 3.18Å; T58-A61 WeakPolarHBondContact O-CB 3.37Å; T58-A61 PolarHBondContact O-N 2.77Å; A61-T64 WeakPolarHBondContact CA-OG1 3.11Å; A61-T64 PolarHBondContact O-N 3.37Å; A61-T64 PolarHBondContact O-OG1 3.18Å; A61-S65 WeakPolarHBondContact O-CB 3.45Å; A61-S65 PolarHBondContact O-N 3.24Å |
| 62 | E | 93.3 | Very high | 93.6 | Very high | 107 Ų | 107 | 103.1 Ų | 103.1 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61 | -46.4 | 174.1 | -72.2 | 176 | 177.6 | 0 | 0 | 111.8 | T58 T64 S65 L66 | T58-E62 WeakPolarHBondContact O-CG 3.45Å; T58-E62 PolarHBondContact O-N 3.46Å; E62-T64 VanDerWaalsContact C-N 3.34Å; E62-T64 PolarHBondContact O-N 3.08Å; E62-S65 WeakPolarHBondContact O-CB 3.44Å; E62-S65 PolarHBondContact O-N 2.73Å; E62-S65 VanDerWaalsContact O-N 3.13Å; E62-L66 WeakPolarHBondContact O-CB 3.44Å; E62-L66 WeakPolarHBondContact O-CG 3.49Å; E62-L66 PolarHBondContact O-N 3.35Å |
| 63 | H | 94.1 | Very high | 93.7 | Very high | 116 Ų | 116 | 99 Ų | 99 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58 | -45 | 173.7 | 179.7 | -73.2 | 0 | 0 | 0 | 111.4 | L59 K60 S65 L66 Q67 | L59-H63 VanDerWaalsContact O-CB 3.28Å; L59-H63 WeakPolarHBondContact O-CB 3.48Å; L59-H63 PolarHBondContact O-N 3.28Å; K60-H63 PolarHBondContact O-N 3.46Å; H63-S65 VanDerWaalsContact C-N 3.32Å; H63-S65 PolarHBondContact O-N 2.79Å; H63-L66 PolarHBondContact O-N 3.46Å; H63-Q67 PolarHBondContact CE1-OE1 3.4Å; H63-Q67 WeakPolarHBondContact O-CB 3.49Å; H63-Q67 PolarHBondContact O-N 3.14Å |
| 64 | T | 94 | Very high | 93.7 | Very high | 66 Ų | 66 | 95.1 Ų | 95.1 | 41% | 0.405 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.2 | -34.7 | 176.3 | 50.1 | 0 | 0 | 0 | 0 | 112.7 | K60 A61 E62 Q67 T68 | K60-T64 WeakPolarHBondContact O-CG2 3.19Å; K60-T64 PolarHBondContact O-N 3Å; K60-T64 PolarHBondContact O-OG1 2.73Å; K60-T64 VanDerWaalsContact O-OG1 3.1Å; A61-T64 WeakPolarHBondContact CA-OG1 3.11Å; A61-T64 PolarHBondContact O-N 3.37Å; A61-T64 PolarHBondContact O-OG1 3.18Å; E62-T64 VanDerWaalsContact C-N 3.34Å; E62-T64 PolarHBondContact O-N 3.08Å; T64-Q67 PolarHBondContact O-N 3.02Å; T64-T68 WeakPolarHBondContact O-CG2 3.44Å; T64-T68 PolarHBondContact O-N 2.81Å; T64-T68 PolarHBondContact O-OG1 3.3Å |
| 65 | S | 94.3 | Very high | 94 | Very high | 52 Ų | 52 | 94.1 Ų | 94.1 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.8 | -44.9 | 176 | -170.9 | 0 | 0 | 0 | 0 | 111.9 | A61 E62 H63 Q67 T68 Q69 | A61-S65 WeakPolarHBondContact O-CB 3.45Å; A61-S65 PolarHBondContact O-N 3.24Å; E62-S65 WeakPolarHBondContact O-CB 3.44Å; E62-S65 PolarHBondContact O-N 2.73Å; E62-S65 VanDerWaalsContact O-N 3.13Å; H63-S65 VanDerWaalsContact C-N 3.32Å; H63-S65 PolarHBondContact O-N 2.79Å; S65-Q67 VanDerWaalsContact C-N 3.3Å; S65-Q67 PolarHBondContact O-N 3.06Å; S65-T68 PolarHBondContact O-N 3.27Å; S65-T68 PolarHBondContact O-OG1 3.06Å; S65-Q69 WeakPolarHBondContact O-CB 3.42Å; S65-Q69 WeakPolarHBondContact O-CG 3.43Å; S65-Q69 PolarHBondContact O-N 3Å; S65-Q69 PolarHBondContact OG-NE2 2.8Å |
| 66 | L | 95.3 | Very high | 94.2 | Very high | 111 Ų | 111 | 93.1 Ų | 93.1 | 58% | 0.581 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.1 | -36.3 | 173.3 | -72.4 | 170.9 | 0 | 0 | 0 | 111.6 | E62 H63 Q69 F70 | E62-L66 WeakPolarHBondContact O-CB 3.44Å; E62-L66 WeakPolarHBondContact O-CG 3.49Å; E62-L66 PolarHBondContact O-N 3.35Å; H63-L66 PolarHBondContact O-N 3.46Å; L66-Q69 PolarHBondContact O-N 2.82Å; L66-F70 VanDerWaalsContact O-CB 3.27Å; L66-F70 WeakPolarHBondContact O-CB 3.48Å; L66-F70 PolarHBondContact O-N 2.7Å |
| 67 | Q | 95.1 | Very high | 94.2 | Very high | 106 Ų | 106 | 89.7 Ų | 89.7 | 50% | 0.495 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.9 | -41.3 | 176.4 | -171.1 | 173.4 | 10.8 | 0 | 0 | 112.1 | H63 T64 S65 F70 T71 | H63-Q67 PolarHBondContact CE1-OE1 3.4Å; H63-Q67 WeakPolarHBondContact O-CB 3.49Å; H63-Q67 PolarHBondContact O-N 3.14Å; T64-Q67 PolarHBondContact O-N 3.02Å; S65-Q67 VanDerWaalsContact C-N 3.3Å; S65-Q67 PolarHBondContact O-N 3.06Å; Q67-F70 PolarHBondContact O-N 3.44Å; Q67-T71 WeakPolarHBondContact O-CG2 3.32Å; Q67-T71 PolarHBondContact O-N 2.98Å; Q67-T71 PolarHBondContact O-OG1 3.4Å |
| 68 | T | 94.7 | Very high | 94.4 | Very high | 87 Ų | 87 | 92.9 Ų | 92.9 | 53% | 0.534 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.4 | -38.1 | 174.3 | 54.3 | 0 | 0 | 0 | 0 | 112.1 | T64 S65 T71 H72 | T64-T68 WeakPolarHBondContact O-CG2 3.44Å; T64-T68 PolarHBondContact O-N 2.81Å; T64-T68 PolarHBondContact O-OG1 3.3Å; S65-T68 PolarHBondContact O-N 3.27Å; S65-T68 PolarHBondContact O-OG1 3.06Å; T68-T71 PolarHBondContact O-N 3.42Å; T68-T71 PolarHBondContact O-OG1 3.36Å; T68-T71 VanDerWaalsContact O-OG1 3.05Å; T68-H72 VanDerWaalsContact O-CB 3.28Å; T68-H72 WeakPolarHBondContact O-CB 3.39Å; T68-H72 PolarHBondContact O-N 2.97Å |
| 69 | Q | 94.6 | Very high | 94.7 | Very high | 110 Ų | 110 | 95.5 Ų | 95.5 | 51% | 0.514 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 172.8 | -71.8 | 170.8 | 29.9 | 0 | 0 | 111.7 | S65 L66 H72 A73 | S65-Q69 WeakPolarHBondContact O-CB 3.42Å; S65-Q69 WeakPolarHBondContact O-CG 3.43Å; S65-Q69 PolarHBondContact O-N 3Å; S65-Q69 PolarHBondContact OG-NE2 2.8Å; L66-Q69 PolarHBondContact O-N 2.82Å; Q69-H72 PolarHBondContact O-N 3.41Å; Q69-A73 WeakPolarHBondContact O-CB 3.44Å; Q69-A73 PolarHBondContact O-N 2.8Å |
| 70 | F | 94.2 | Very high | 94.8 | Very high | 134 Ų | 134 | 94.9 Ų | 94.9 | 59% | 0.588 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.1 | -44.1 | 176.3 | 179.4 | -96.5 | 0 | 0 | 0 | 112.4 | L66 Q67 H72 Q74 | L66-F70 VanDerWaalsContact O-CB 3.27Å; L66-F70 WeakPolarHBondContact O-CB 3.48Å; L66-F70 PolarHBondContact O-N 2.7Å; Q67-F70 PolarHBondContact O-N 3.44Å; F70-H72 VanDerWaalsContact C-N 3.32Å; F70-H72 PolarHBondContact O-N 3.19Å; F70-Q74 VanDerWaalsContact O-CB 3.31Å; F70-Q74 WeakPolarHBondContact O-CB 3.4Å; F70-Q74 PolarHBondContact O-N 3.12Å |
| 71 | T | 94.9 | Very high | 94.7 | Very high | 77 Ų | 77 | 93.4 Ų | 93.4 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.8 | -33.2 | 175.8 | 56.8 | 0 | 0 | 0 | 0 | 112.3 | Q67 T68 G75 | Q67-T71 WeakPolarHBondContact O-CG2 3.32Å; Q67-T71 PolarHBondContact O-N 2.98Å; Q67-T71 PolarHBondContact O-OG1 3.4Å; T68-T71 PolarHBondContact O-N 3.42Å; T68-T71 PolarHBondContact O-OG1 3.36Å; T68-T71 VanDerWaalsContact O-OG1 3.05Å; T71-G75 PolarHBondContact O-N 3.09Å |
| 72 | H | 95.6 | Very high | 94.8 | Very high | 122 Ų | 122 | 94.2 Ų | 94.2 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.3 | -53.9 | 173.9 | -170.6 | 65.7 | 0 | 0 | 0 | 111.2 | T68 Q69 F70 Q74 G75 E76 | T68-H72 VanDerWaalsContact O-CB 3.28Å; T68-H72 WeakPolarHBondContact O-CB 3.39Å; T68-H72 PolarHBondContact O-N 2.97Å; Q69-H72 PolarHBondContact O-N 3.41Å; F70-H72 VanDerWaalsContact C-N 3.32Å; F70-H72 PolarHBondContact O-N 3.19Å; H72-Q74 VanDerWaalsContact C-N 3.29Å; H72-Q74 PolarHBondContact O-N 3.1Å; H72-G75 CarbonylContact O-C 3.59Å; H72-G75 WeakPolarHBondContact O-CA 3.26Å; H72-G75 PolarHBondContact O-N 3.38Å; H72-E76 IonicContact NE2-OE1 3.41Å; H72-E76 PolarHBondContact O-N 3.44Å |
| 73 | A | 92.6 | Very high | 94.9 | Very high | 44 Ų | 44 | 92.6 Ų | 92.6 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.8 | -38.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q69 G75 E76 V77 | Q69-A73 WeakPolarHBondContact O-CB 3.44Å; Q69-A73 PolarHBondContact O-N 2.8Å; A73-G75 VanDerWaalsContact C-N 3.32Å; A73-G75 PolarHBondContact O-N 3.5Å; A73-E76 PolarHBondContact O-N 3.46Å; A73-V77 WeakPolarHBondContact O-CG2 3.22Å; A73-V77 PolarHBondContact O-N 3.11Å |
| 74 | Q | 94.8 | Very high | 95 | Very high | 86 Ų | 86 | 93.2 Ų | 93.2 | 40% | 0.402 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.4 | -36.5 | 173.2 | -174.9 | 177.6 | 84.3 | 0 | 0 | 112.3 | F70 H72 R78 | F70-Q74 VanDerWaalsContact O-CB 3.31Å; F70-Q74 WeakPolarHBondContact O-CB 3.4Å; F70-Q74 PolarHBondContact O-N 3.12Å; H72-Q74 VanDerWaalsContact C-N 3.29Å; H72-Q74 PolarHBondContact O-N 3.1Å; Q74-R78 WeakPolarHBondContact O-CG 3.41Å; Q74-R78 PolarHBondContact O-N 3.34Å; Q74-R78 VanDerWaalsContact O-N 3.15Å |
| 75 | G | 95.9 | Very high | 95.1 | Very high | 38 Ų | 38 | 95.5 Ų | 95.5 | 39% | 0.392 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T71 H72 A73 R78 R79 | T71-G75 PolarHBondContact O-N 3.09Å; H72-G75 CarbonylContact O-C 3.59Å; H72-G75 WeakPolarHBondContact O-CA 3.26Å; H72-G75 PolarHBondContact O-N 3.38Å; A73-G75 VanDerWaalsContact C-N 3.32Å; A73-G75 PolarHBondContact O-N 3.5Å; G75-R78 PolarHBondContact O-N 3.3Å; G75-R79 PolarHBondContact O-N 3.22Å |
| 76 | E | 95.3 | Very high | 95.1 | Very high | 81 Ų | 81 | 95.3 Ų | 95.3 | 38% | 0.379 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 176.3 | -67.5 | -170.5 | 121.7 | 0 | 0 | 112.2 | H72 A73 R78 R79 L80 | H72-E76 IonicContact NE2-OE1 3.41Å; H72-E76 PolarHBondContact O-N 3.44Å; A73-E76 PolarHBondContact O-N 3.46Å; E76-R78 VanDerWaalsContact C-N 3.32Å; E76-R78 PolarHBondContact O-N 3.17Å; E76-R79 WeakPolarHBondContact O-CB 3.36Å; E76-R79 PolarHBondContact O-N 3.05Å; E76-R79 VanDerWaalsContact O-N 3.15Å; E76-L80 WeakPolarHBondContact O-CG 3.47Å; E76-L80 PolarHBondContact O-N 3.35Å |
| 77 | V | 94.3 | Very high | 95.1 | Very high | 84 Ų | 84 | 95.8 Ų | 95.8 | 51% | 0.509 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 175.3 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | A73 L81 | A73-V77 WeakPolarHBondContact O-CG2 3.22Å; A73-V77 PolarHBondContact O-N 3.11Å; V77-L81 HydrophobicContact CG1-CD1 4.05Å; V77-L81 WeakPolarHBondContact O-CB 3.42Å; V77-L81 VanDerWaalsContact O-CG 3.25Å; V77-L81 WeakPolarHBondContact O-CG 3.42Å; V77-L81 PolarHBondContact O-N 2.94Å |
| 78 | R | 96.3 | Very high | 95.2 | Very high | 169 Ų | 169 | 95.5 Ų | 95.5 | 64% | 0.638 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.3 | -40.5 | 174.7 | -74.2 | 176.9 | -177.9 | -175.5 | 4.3 | 112.3 | Q74 G75 E76 L81 S82 | Q74-R78 WeakPolarHBondContact O-CG 3.41Å; Q74-R78 PolarHBondContact O-N 3.34Å; Q74-R78 VanDerWaalsContact O-N 3.15Å; G75-R78 PolarHBondContact O-N 3.3Å; E76-R78 VanDerWaalsContact C-N 3.32Å; E76-R78 PolarHBondContact O-N 3.17Å; R78-L81 PolarHBondContact O-N 3.32Å; R78-S82 PolarHBondContact O-N 3.47Å |
| 79 | R | 96.9 | Very high | 95.2 | Very high | 125 Ų | 125 | 97.2 Ų | 97.2 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.6 | -51.6 | 176 | -179.9 | 177.4 | 66.4 | 96.3 | -6.1 | 111.1 | G75 E76 L81 S82 E83 | G75-R79 PolarHBondContact O-N 3.22Å; E76-R79 WeakPolarHBondContact O-CB 3.36Å; E76-R79 PolarHBondContact O-N 3.05Å; E76-R79 VanDerWaalsContact O-N 3.15Å; R79-L81 VanDerWaalsContact C-N 3.3Å; R79-L81 PolarHBondContact O-N 3Å; R79-S82 WeakPolarHBondContact O-CB 3.36Å; R79-S82 PolarHBondContact O-N 3.08Å; R79-S82 VanDerWaalsContact O-N 3.08Å; R79-E83 WeakPolarHBondContact CD-OE1 3.41Å; R79-E83 HydrophobicContact CG-CG 4.34Å; R79-E83 WeakPolarHBondContact CG-OE1 3.42Å; R79-E83 IonicContact CZ-OE1 3.53Å; R79-E83 IonicContact NE-OE1 3.86Å; R79-E83 IonicContact NH1-OE1 2.65Å; R79-E83 PolarHBondContact NH1-OE1 2.8Å; R79-E83 IonicContact NH1-OE2 2.65Å; R79-E83 PolarHBondContact NH1-OE2 2.88Å; R79-E83 WeakPolarHBondContact O-CG 3.41Å; R79-E83 PolarHBondContact O-N 2.78Å |
| 80 | L | 95.4 | Very high | 95.3 | Very high | 98 Ų | 98 | 100.6 Ų | 100.6 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61 | -35.9 | 178.8 | -69.9 | 169.6 | 0 | 0 | 0 | 112.7 | E76 K84 | E76-L80 WeakPolarHBondContact O-CG 3.47Å; E76-L80 PolarHBondContact O-N 3.35Å; L80-K84 VanDerWaalsContact O-CB 3.3Å; L80-K84 WeakPolarHBondContact O-CB 3.31Å; L80-K84 PolarHBondContact O-N 3.16Å |
| 81 | L | 95 | Very high | 95.3 | Very high | 95 Ų | 95 | 99.3 Ų | 99.3 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.9 | -41 | 173.4 | -74.2 | 170.3 | 0 | 0 | 0 | 112.2 | V77 R78 R79 Q85 | V77-L81 HydrophobicContact CG1-CD1 4.05Å; V77-L81 WeakPolarHBondContact O-CB 3.42Å; V77-L81 VanDerWaalsContact O-CG 3.25Å; V77-L81 WeakPolarHBondContact O-CG 3.42Å; V77-L81 PolarHBondContact O-N 2.94Å; R78-L81 PolarHBondContact O-N 3.32Å; R79-L81 VanDerWaalsContact C-N 3.3Å; R79-L81 PolarHBondContact O-N 3Å; L81-Q85 WeakPolarHBondContact O-CB 3.19Å; L81-Q85 VanDerWaalsContact O-CG 3.26Å; L81-Q85 WeakPolarHBondContact O-CG 3.27Å; L81-Q85 PolarHBondContact O-N 3.29Å |
| 82 | S | 95.2 | Very high | 95.4 | Very high | 71 Ų | 71 | 101.1 Ų | 101.1 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.2 | -43.5 | 175.4 | -171.5 | 0 | 0 | 0 | 0 | 112.1 | R78 R79 Q85 S86 | R78-S82 PolarHBondContact O-N 3.47Å; R79-S82 WeakPolarHBondContact O-CB 3.36Å; R79-S82 PolarHBondContact O-N 3.08Å; R79-S82 VanDerWaalsContact O-N 3.08Å; S82-Q85 PolarHBondContact O-N 2.92Å; S82-S86 PolarHBondContact O-N 3.08Å |
| 83 | E | 95.4 | Very high | 95.4 | Very high | 73 Ų | 73 | 100.7 Ų | 100.7 | 34% | 0.341 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.3 | -52.2 | 175.5 | -73.9 | 167.3 | -179.6 | 0 | 0 | 109.9 | R79 Q85 S86 E87 | R79-E83 WeakPolarHBondContact CD-OE1 3.41Å; R79-E83 HydrophobicContact CG-CG 4.34Å; R79-E83 WeakPolarHBondContact CG-OE1 3.42Å; R79-E83 IonicContact CZ-OE1 3.53Å; R79-E83 IonicContact NE-OE1 3.86Å; R79-E83 IonicContact NH1-OE1 2.65Å; R79-E83 PolarHBondContact NH1-OE1 2.8Å; R79-E83 IonicContact NH1-OE2 2.65Å; R79-E83 PolarHBondContact NH1-OE2 2.88Å; R79-E83 WeakPolarHBondContact O-CG 3.41Å; R79-E83 PolarHBondContact O-N 2.78Å; E83-Q85 VanDerWaalsContact C-N 3.32Å; E83-Q85 PolarHBondContact O-N 3.23Å; E83-S86 PolarHBondContact O-N 3.36Å; E83-S86 VanDerWaalsContact O-N 3.12Å; E83-S86 PolarHBondContact O-OG 2.84Å; E83-E87 WeakPolarHBondContact O-CG 3.17Å; E83-E87 PolarHBondContact O-N 2.82Å |
| 84 | K | 95.6 | Very high | 95.6 | Very high | 128 Ų | 128 | 102.7 Ų | 102.7 | 56% | 0.557 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -55.9 | -41.9 | 174.7 | -179.6 | -174.5 | 173.7 | -175.9 | 0 | 113.1 | L80 Q88 | L80-K84 VanDerWaalsContact O-CB 3.3Å; L80-K84 WeakPolarHBondContact O-CB 3.31Å; L80-K84 PolarHBondContact O-N 3.16Å; K84-Q88 WeakPolarHBondContact O-CB 3.15Å; K84-Q88 PolarHBondContact O-N 3.1Å |
| 85 | Q | 95.9 | Very high | 95.6 | Very high | 115 Ų | 115 | 103 Ų | 103 | 54% | 0.537 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 176.6 | -78.6 | 170.7 | -16 | 0 | 0 | 111 | L81 S82 E83 E87 Q88 E89 | L81-Q85 WeakPolarHBondContact O-CB 3.19Å; L81-Q85 VanDerWaalsContact O-CG 3.26Å; L81-Q85 WeakPolarHBondContact O-CG 3.27Å; L81-Q85 PolarHBondContact O-N 3.29Å; S82-Q85 PolarHBondContact O-N 2.92Å; E83-Q85 VanDerWaalsContact C-N 3.32Å; E83-Q85 PolarHBondContact O-N 3.23Å; Q85-E87 VanDerWaalsContact C-N 3.34Å; Q85-E87 PolarHBondContact O-N 3.45Å; Q85-Q88 PolarHBondContact O-N 3.05Å; Q85-E89 WeakPolarHBondContact O-CG 3.21Å; Q85-E89 PolarHBondContact O-N 2.98Å |
| 86 | S | 94.8 | Very high | 95.5 | Very high | 48 Ų | 48 | 103.9 Ų | 103.9 | 34% | 0.336 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -34.1 | 178.9 | 76.5 | 0 | 0 | 0 | 0 | 113.7 | S82 E83 R90 | S82-S86 PolarHBondContact O-N 3.08Å; E83-S86 PolarHBondContact O-N 3.36Å; E83-S86 VanDerWaalsContact O-N 3.12Å; E83-S86 PolarHBondContact O-OG 2.84Å; S86-R90 PolarHBondContact O-N 3.4Å |
| 87 | E | 95.1 | Very high | 95.6 | Very high | 120 Ų | 120 | 105.7 Ų | 105.7 | 56% | 0.561 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.6 | -42.3 | 172.5 | -71.3 | -179.5 | 161.2 | 0 | 0 | 111.4 | E83 Q85 E89 R90 L91 | E83-E87 WeakPolarHBondContact O-CG 3.17Å; E83-E87 PolarHBondContact O-N 2.82Å; Q85-E87 VanDerWaalsContact C-N 3.34Å; Q85-E87 PolarHBondContact O-N 3.45Å; E87-E89 VanDerWaalsContact C-N 3.34Å; E87-E89 PolarHBondContact O-N 2.87Å; E87-R90 PolarHBondContact O-N 2.75Å; E87-L91 WeakPolarHBondContact O-CG 3.43Å; E87-L91 PolarHBondContact O-N 2.77Å |
| 88 | Q | 95.9 | Very high | 95.5 | Very high | 101 Ų | 101 | 106 Ų | 106 | 47% | 0.472 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 176.6 | -175.4 | 170.9 | -15.9 | 0 | 0 | 111.8 | K84 Q85 L91 Q92 | K84-Q88 WeakPolarHBondContact O-CB 3.15Å; K84-Q88 PolarHBondContact O-N 3.1Å; Q85-Q88 PolarHBondContact O-N 3.05Å; Q88-L91 PolarHBondContact O-N 3.25Å; Q88-Q92 VanDerWaalsContact O-CG 3.31Å; Q88-Q92 WeakPolarHBondContact O-CG 3.37Å; Q88-Q92 PolarHBondContact O-N 2.88Å |
| 89 | E | 95.9 | Very high | 95.5 | Very high | 122 Ų | 122 | 106 Ų | 106 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.7 | -45.2 | 173.1 | -73 | 172.5 | -179.7 | 0 | 0 | 112 | Q85 E87 L91 Q92 L93 | Q85-E89 WeakPolarHBondContact O-CG 3.21Å; Q85-E89 PolarHBondContact O-N 2.98Å; E87-E89 VanDerWaalsContact C-N 3.34Å; E87-E89 PolarHBondContact O-N 2.87Å; E89-L91 VanDerWaalsContact C-N 3.34Å; E89-L91 PolarHBondContact O-N 3.13Å; E89-Q92 WeakPolarHBondContact O-CB 3.32Å; E89-Q92 PolarHBondContact O-N 2.86Å; E89-Q92 VanDerWaalsContact O-N 3.16Å; E89-L93 WeakPolarHBondContact O-CG 3.44Å; E89-L93 PolarHBondContact O-N 2.9Å |
| 90 | R | 96.1 | Very high | 95.5 | Very high | 181 Ų | 181 | 102 Ų | 102 | 68% | 0.683 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -57.5 | -44.5 | 173.7 | -85.1 | -175.6 | 171.2 | 131.6 | -2.8 | 112.6 | S86 E87 Q92 L93 L94 | S86-R90 PolarHBondContact O-N 3.4Å; E87-R90 PolarHBondContact O-N 2.75Å; R90-Q92 VanDerWaalsContact C-N 3.32Å; R90-Q92 PolarHBondContact O-N 3.34Å; R90-L93 PolarHBondContact O-N 3.28Å; R90-L94 PolarHBondContact O-N 2.85Å |
| 91 | L | 94.8 | Very high | 95.4 | Very high | 108 Ų | 108 | 103.4 Ų | 103.4 | 57% | 0.565 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.9 | -35.2 | 177.5 | -70.4 | 172 | 0 | 0 | 0 | 111.9 | E87 Q88 E89 L95 | E87-L91 WeakPolarHBondContact O-CG 3.43Å; E87-L91 PolarHBondContact O-N 2.77Å; Q88-L91 PolarHBondContact O-N 3.25Å; E89-L91 VanDerWaalsContact C-N 3.34Å; E89-L91 PolarHBondContact O-N 3.13Å; L91-L95 WeakPolarHBondContact O-CB 3.44Å; L91-L95 VanDerWaalsContact O-CG 3.23Å; L91-L95 WeakPolarHBondContact O-CG 3.37Å; L91-L95 PolarHBondContact O-N 2.93Å |
| 92 | Q | 96.3 | Very high | 95.4 | Very high | 115 Ų | 115 | 104.5 Ų | 104.5 | 54% | 0.537 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 174 | -75.6 | 176 | 6.6 | 0 | 0 | 112.6 | Q88 E89 R90 L95 A96 | Q88-Q92 VanDerWaalsContact O-CG 3.31Å; Q88-Q92 WeakPolarHBondContact O-CG 3.37Å; Q88-Q92 PolarHBondContact O-N 2.88Å; E89-Q92 WeakPolarHBondContact O-CB 3.32Å; E89-Q92 PolarHBondContact O-N 2.86Å; E89-Q92 VanDerWaalsContact O-N 3.16Å; R90-Q92 VanDerWaalsContact C-N 3.32Å; R90-Q92 PolarHBondContact O-N 3.34Å; Q92-L95 PolarHBondContact O-N 3.47Å; Q92-A96 PolarHBondContact O-N 3.41Å |
| 93 | L | 96 | Very high | 95.4 | Very high | 112 Ų | 112 | 105.6 Ų | 105.6 | 59% | 0.586 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.1 | -49.5 | 174.8 | -70.4 | 170.5 | 0 | 0 | 0 | 111.3 | E89 R90 L95 A96 E97 | E89-L93 WeakPolarHBondContact O-CG 3.44Å; E89-L93 PolarHBondContact O-N 2.9Å; R90-L93 PolarHBondContact O-N 3.28Å; L93-L95 VanDerWaalsContact C-N 3.3Å; L93-L95 PolarHBondContact O-N 3.34Å; L93-A96 WeakPolarHBondContact O-CA 3.41Å; L93-A96 WeakPolarHBondContact O-CB 3.43Å; L93-A96 PolarHBondContact O-N 2.94Å; L93-E97 WeakPolarHBondContact O-CG 3.5Å; L93-E97 PolarHBondContact O-N 3.24Å |
| 94 | L | 96.4 | Very high | 95.4 | Very high | 86 Ų | 86 | 103.2 Ų | 103.2 | 45% | 0.45 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.3 | -39.8 | 177 | -178 | 63.6 | 0 | 0 | 0 | 112.2 | R90 A96 E97 L98 | R90-L94 PolarHBondContact O-N 2.85Å; L94-A96 VanDerWaalsContact C-N 3.3Å; L94-A96 PolarHBondContact O-N 3.21Å; L94-E97 PolarHBondContact O-N 3.08Å; L94-L98 HydrophobicContact CD1-CD1 4.39Å; L94-L98 HydrophobicContact CD1-CG 4.42Å; L94-L98 HydrophobicContact CG-CD1 4.14Å; L94-L98 WeakPolarHBondContact O-CB 3.41Å; L94-L98 VanDerWaalsContact O-CG 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.43Å; L94-L98 PolarHBondContact O-N 3.45Å |
| 95 | L | 94.6 | Very high | 95.3 | Very high | 94 Ų | 94 | 102.6 Ų | 102.6 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.1 | -30.3 | 174 | -75.9 | 171 | 0 | 0 | 0 | 112.9 | L91 Q92 L93 R99 | L91-L95 WeakPolarHBondContact O-CB 3.44Å; L91-L95 VanDerWaalsContact O-CG 3.23Å; L91-L95 WeakPolarHBondContact O-CG 3.37Å; L91-L95 PolarHBondContact O-N 2.93Å; Q92-L95 PolarHBondContact O-N 3.47Å; L93-L95 VanDerWaalsContact C-N 3.3Å; L93-L95 PolarHBondContact O-N 3.34Å; L95-R99 WeakPolarHBondContact O-CB 3.44Å; L95-R99 VanDerWaalsContact O-CD 3.27Å; L95-R99 WeakPolarHBondContact O-CD 3.24Å; L95-R99 WeakPolarHBondContact O-CG 3.22Å; L95-R99 PolarHBondContact O-N 3.13Å |
| 96 | A | 95.3 | Very high | 95.1 | Very high | 56 Ų | 56 | 99.9 Ų | 99.9 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -74.3 | -41.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q92 L93 L94 R99 G100 | Q92-A96 PolarHBondContact O-N 3.41Å; L93-A96 WeakPolarHBondContact O-CA 3.41Å; L93-A96 WeakPolarHBondContact O-CB 3.43Å; L93-A96 PolarHBondContact O-N 2.94Å; L94-A96 VanDerWaalsContact C-N 3.3Å; L94-A96 PolarHBondContact O-N 3.21Å; A96-R99 PolarHBondContact O-N 3.19Å; A96-G100 PolarHBondContact O-N 3Å |
| 97 | E | 95.4 | Very high | 95.1 | Very high | 118 Ų | 118 | 104.9 Ų | 104.9 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.6 | -53.7 | 174.6 | -71.2 | 169.1 | 173.1 | 0 | 0 | 111 | L93 L94 R99 G100 E101 | L93-E97 WeakPolarHBondContact O-CG 3.5Å; L93-E97 PolarHBondContact O-N 3.24Å; L94-E97 PolarHBondContact O-N 3.08Å; E97-R99 VanDerWaalsContact C-N 3.28Å; E97-R99 PolarHBondContact O-N 3.5Å; E97-G100 CarbonylContact O-C 3.6Å; E97-G100 WeakPolarHBondContact O-CA 3.48Å; E97-G100 PolarHBondContact O-N 2.96Å; E97-E101 PolarHBondContact O-N 2.84Å |
| 98 | L | 93.5 | Very high | 94.9 | Very high | 91 Ų | 91 | 103.2 Ų | 103.2 | 48% | 0.476 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.9 | -34.6 | 178.4 | -69.6 | 170.2 | 0 | 0 | 0 | 113 | L94 L102 | L94-L98 HydrophobicContact CD1-CD1 4.39Å; L94-L98 HydrophobicContact CD1-CG 4.42Å; L94-L98 HydrophobicContact CG-CD1 4.14Å; L94-L98 WeakPolarHBondContact O-CB 3.41Å; L94-L98 VanDerWaalsContact O-CG 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.43Å; L94-L98 PolarHBondContact O-N 3.45Å; L98-L102 WeakPolarHBondContact O-CB 3.47Å; L98-L102 PolarHBondContact O-N 3.4Å |
| 99 | R | 96 | Very high | 94.4 | Very high | 169 Ų | 169 | 103.5 Ų | 103.5 | 64% | 0.638 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.1 | -37.9 | 172.4 | -75.7 | 169 | -179.6 | 171.1 | 0.2 | 111.9 | L95 A96 E97 L103 | L95-R99 WeakPolarHBondContact O-CB 3.44Å; L95-R99 VanDerWaalsContact O-CD 3.27Å; L95-R99 WeakPolarHBondContact O-CD 3.24Å; L95-R99 WeakPolarHBondContact O-CG 3.22Å; L95-R99 PolarHBondContact O-N 3.13Å; A96-R99 PolarHBondContact O-N 3.19Å; E97-R99 VanDerWaalsContact C-N 3.28Å; E97-R99 PolarHBondContact O-N 3.5Å; R99-L103 WeakPolarHBondContact O-CG 3.49Å; R99-L103 PolarHBondContact O-N 3.18Å; R99-L103 VanDerWaalsContact O-N 3.08Å |
| 100 | G | 95.9 | Very high | 94 | Very high | 42 Ų | 42 | 102.8 Ų | 102.8 | 43% | 0.433 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | A96 E97 L103 G104 | A96-G100 PolarHBondContact O-N 3Å; E97-G100 CarbonylContact O-C 3.6Å; E97-G100 WeakPolarHBondContact O-CA 3.48Å; E97-G100 PolarHBondContact O-N 2.96Å; G100-L103 PolarHBondContact O-N 2.87Å; G100-G104 PolarHBondContact O-N 3.45Å |
| 101 | E | 95.3 | Very high | 93.6 | Very high | 126 Ų | 126 | 99.5 Ų | 99.5 | 59% | 0.589 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.7 | -45.9 | 175.1 | -70.1 | -176.1 | 169.3 | 0 | 0 | 112 | E97 L103 G104 K105 | E97-E101 PolarHBondContact O-N 2.84Å; E101-L103 VanDerWaalsContact C-N 3.31Å; E101-L103 PolarHBondContact O-N 3.22Å; E101-G104 PolarHBondContact O-N 3.17Å; E101-G104 VanDerWaalsContact O-N 3.16Å; E101-K105 WeakPolarHBondContact O-CG 3.31Å; E101-K105 PolarHBondContact O-N 2.87Å |
| 102 | L | 94.1 | Very high | 93 | Very high | 119 Ų | 119 | 99 Ų | 99 | 62% | 0.623 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -57.9 | -43.6 | 176.3 | -169.4 | 85.9 | 0 | 0 | 0 | 111.7 | L98 K105 T106 | L98-L102 WeakPolarHBondContact O-CB 3.47Å; L98-L102 PolarHBondContact O-N 3.4Å; L102-K105 PolarHBondContact O-N 3.26Å; L102-T106 WeakPolarHBondContact O-CB 3.39Å; L102-T106 PolarHBondContact O-N 3.42Å; L102-T106 PolarHBondContact O-OG1 2.77Å |
| 103 | L | 95.9 | Very high | 92.4 | Very high | 94 Ų | 94 | 102.5 Ų | 102.5 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 176.2 | -73.6 | 169.9 | 0 | 0 | 0 | 112 | R99 G100 E101 T106 R107 | R99-L103 WeakPolarHBondContact O-CG 3.49Å; R99-L103 PolarHBondContact O-N 3.18Å; R99-L103 VanDerWaalsContact O-N 3.08Å; G100-L103 PolarHBondContact O-N 2.87Å; E101-L103 VanDerWaalsContact C-N 3.31Å; E101-L103 PolarHBondContact O-N 3.22Å; L103-T106 PolarHBondContact O-N 3.24Å; L103-R107 WeakPolarHBondContact O-CG 3.28Å; L103-R107 PolarHBondContact O-N 3.37Å |
| 104 | G | 94.4 | Very high | 91.5 | Very high | 23 Ų | 23 | 104.4 Ų | 104.4 | 24% | 0.237 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -58.6 | -51.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G100 E101 T106 R107 E108 | G100-G104 PolarHBondContact O-N 3.45Å; E101-G104 PolarHBondContact O-N 3.17Å; E101-G104 VanDerWaalsContact O-N 3.16Å; G104-T106 VanDerWaalsContact C-N 3.29Å; G104-T106 PolarHBondContact O-N 2.86Å; G104-R107 WeakPolarHBondContact O-CB 3.48Å; G104-R107 PolarHBondContact O-N 3.31Å; G104-R107 VanDerWaalsContact O-N 3.14Å; G104-E108 WeakPolarHBondContact O-CG 3.28Å; G104-E108 PolarHBondContact O-N 3.47Å |
| 105 | K | 93.1 | Very high | 90.7 | Very high | 114 Ų | 114 | 107.1 Ų | 107.1 | 50% | 0.496 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.4 | -33.7 | 177.4 | -67.3 | -72.6 | 161 | -123.8 | 0 | 113.1 | E101 L102 E108 L109 | E101-K105 WeakPolarHBondContact O-CG 3.31Å; E101-K105 PolarHBondContact O-N 2.87Å; L102-K105 PolarHBondContact O-N 3.26Å; K105-E108 WeakPolarHBondContact CD-OE2 3.48Å; K105-E108 IonicContact NZ-OE1 2.72Å; K105-E108 PolarHBondContact NZ-OE1 2.93Å; K105-E108 IonicContact NZ-OE2 2.67Å; K105-E108 PolarHBondContact NZ-OE2 2.77Å; K105-L109 WeakPolarHBondContact O-CB 3.32Å; K105-L109 VanDerWaalsContact O-CG 3.3Å; K105-L109 WeakPolarHBondContact O-CG 3.42Å; K105-L109 PolarHBondContact O-N 2.91Å |
| 106 | T | 92.6 | Very high | 90 | Very high | 58 Ų | 58 | 107.4 Ų | 107.4 | 36% | 0.356 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.9 | -44.3 | 174.3 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | L102 L103 G104 L109 E110 | L102-T106 WeakPolarHBondContact O-CB 3.39Å; L102-T106 PolarHBondContact O-N 3.42Å; L102-T106 PolarHBondContact O-OG1 2.77Å; L103-T106 PolarHBondContact O-N 3.24Å; G104-T106 VanDerWaalsContact C-N 3.29Å; G104-T106 PolarHBondContact O-N 2.86Å; T106-L109 PolarHBondContact O-N 3.39Å; T106-E110 WeakPolarHBondContact O-CG 3.3Å; T106-E110 PolarHBondContact O-N 3.34Å |
| 107 | R | 93.7 | Very high | 89.1 | Confident | 153 Ų | 153 | 108.5 Ų | 108.5 | 58% | 0.577 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64 | -45.5 | 175.1 | -68.2 | 167.7 | -173.6 | 159.1 | 2.4 | 112.1 | L103 G104 L109 E110 E111 | L103-R107 WeakPolarHBondContact O-CG 3.28Å; L103-R107 PolarHBondContact O-N 3.37Å; G104-R107 WeakPolarHBondContact O-CB 3.48Å; G104-R107 PolarHBondContact O-N 3.31Å; G104-R107 VanDerWaalsContact O-N 3.14Å; R107-L109 VanDerWaalsContact C-N 3.26Å; R107-L109 PolarHBondContact O-N 3.41Å; R107-E110 PolarHBondContact O-N 2.96Å; R107-E110 VanDerWaalsContact O-N 3.08Å; R107-E111 WeakPolarHBondContact O-CG 3.38Å; R107-E111 PolarHBondContact O-N 2.86Å |
| 108 | E | 91.1 | Very high | 88.5 | Confident | 86 Ų | 86 | 105.8 Ų | 105.8 | 40% | 0.402 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -55.8 | -41.5 | 174.5 | -71.1 | 170.7 | -149.7 | 0 | 0 | 111.6 | G104 K105 L112 | G104-E108 WeakPolarHBondContact O-CG 3.28Å; G104-E108 PolarHBondContact O-N 3.47Å; K105-E108 WeakPolarHBondContact CD-OE2 3.48Å; K105-E108 IonicContact NZ-OE1 2.72Å; K105-E108 PolarHBondContact NZ-OE1 2.93Å; K105-E108 IonicContact NZ-OE2 2.67Å; K105-E108 PolarHBondContact NZ-OE2 2.77Å; E108-L112 WeakPolarHBondContact O-CB 3.34Å; E108-L112 VanDerWaalsContact O-CG 3.23Å; E108-L112 WeakPolarHBondContact O-CG 3.48Å; E108-L112 PolarHBondContact O-N 3.43Å |
| 109 | L | 85.3 | Confident | 88 | Confident | 106 Ų | 106 | 105.8 Ų | 105.8 | 56% | 0.555 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.8 | -35.4 | 175.9 | -76.9 | 168.4 | 0 | 0 | 0 | 113.1 | K105 T106 R107 R113 | K105-L109 WeakPolarHBondContact O-CB 3.32Å; K105-L109 VanDerWaalsContact O-CG 3.3Å; K105-L109 WeakPolarHBondContact O-CG 3.42Å; K105-L109 PolarHBondContact O-N 2.91Å; T106-L109 PolarHBondContact O-N 3.39Å; R107-L109 VanDerWaalsContact C-N 3.26Å; R107-L109 PolarHBondContact O-N 3.41Å; L109-R113 WeakPolarHBondContact O-CB 3.38Å; L109-R113 VanDerWaalsContact O-CG 3.25Å; L109-R113 WeakPolarHBondContact O-CG 3.39Å; L109-R113 PolarHBondContact O-N 3.45Å |
| 110 | E | 87.8 | Confident | 87.5 | Confident | 107 Ų | 107 | 103.7 Ų | 103.7 | 50% | 0.5 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.6 | -43.2 | 174.4 | -72.7 | 172.6 | 171.9 | 0 | 0 | 111.6 | T106 R107 R113 L114 | T106-E110 WeakPolarHBondContact O-CG 3.3Å; T106-E110 PolarHBondContact O-N 3.34Å; R107-E110 PolarHBondContact O-N 2.96Å; R107-E110 VanDerWaalsContact O-N 3.08Å; E110-R113 WeakPolarHBondContact O-CB 3.34Å; E110-R113 PolarHBondContact O-N 3.43Å; E110-L114 WeakPolarHBondContact O-CG 3.35Å; E110-L114 PolarHBondContact O-N 2.85Å; E110-L114 VanDerWaalsContact O-N 3.08Å |
| 111 | E | 87.4 | Confident | 87 | Confident | 112 Ų | 112 | 109.8 Ų | 109.8 | 52% | 0.523 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61 | -46 | 173.9 | -72.4 | 174.2 | -166.8 | 0 | 0 | 111.7 | R107 R113 L114 Q115 | R107-E111 WeakPolarHBondContact O-CG 3.38Å; R107-E111 PolarHBondContact O-N 2.86Å; E111-R113 VanDerWaalsContact C-N 3.34Å; E111-R113 PolarHBondContact O-N 2.86Å; E111-L114 PolarHBondContact O-N 3.01Å; E111-L114 VanDerWaalsContact O-N 3.14Å; E111-Q115 WeakPolarHBondContact O-CG 3.5Å; E111-Q115 PolarHBondContact O-N 2.74Å |
| 112 | L | 83.9 | Confident | 86.6 | Confident | 97 Ų | 97 | 107.3 Ų | 107.3 | 51% | 0.508 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.1 | -39.6 | 175.2 | -73.8 | 169.7 | 0 | 0 | 0 | 111.9 | E108 L114 Q115 V116 | E108-L112 WeakPolarHBondContact O-CB 3.34Å; E108-L112 VanDerWaalsContact O-CG 3.23Å; E108-L112 WeakPolarHBondContact O-CG 3.48Å; E108-L112 PolarHBondContact O-N 3.43Å; L112-L114 VanDerWaalsContact C-N 3.26Å; L112-L114 PolarHBondContact O-N 3.42Å; L112-Q115 PolarHBondContact O-N 3.43Å; L112-V116 WeakPolarHBondContact O-CG2 2.84Å; L112-V116 PolarHBondContact O-N 3.15Å |
| 113 | R | 81.7 | Confident | 86.3 | Confident | 190 Ų | 190 | 107.3 Ų | 107.3 | 72% | 0.717 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.7 | -30.2 | 174.3 | -80.8 | 171.5 | 173.2 | 175.8 | -0.6 | 113.4 | L109 E110 E111 | L109-R113 WeakPolarHBondContact O-CB 3.38Å; L109-R113 VanDerWaalsContact O-CG 3.25Å; L109-R113 WeakPolarHBondContact O-CG 3.39Å; L109-R113 PolarHBondContact O-N 3.45Å; E110-R113 WeakPolarHBondContact O-CB 3.34Å; E110-R113 PolarHBondContact O-N 3.43Å; E111-R113 VanDerWaalsContact C-N 3.34Å; E111-R113 PolarHBondContact O-N 2.86Å |
| 114 | L | 78.8 | Confident | 86.1 | Confident | 151 Ų | 151 | 108.3 Ų | 108.3 | 79% | 0.791 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -80.2 | -27.8 | 175.3 | -68.5 | 167.9 | 0 | 0 | 0 | 112.8 | E110 E111 L112 | E110-L114 WeakPolarHBondContact O-CG 3.35Å; E110-L114 PolarHBondContact O-N 2.85Å; E110-L114 VanDerWaalsContact O-N 3.08Å; E111-L114 PolarHBondContact O-N 3.01Å; E111-L114 VanDerWaalsContact O-N 3.14Å; L112-L114 VanDerWaalsContact C-N 3.26Å; L112-L114 PolarHBondContact O-N 3.42Å |
| 115 | Q | 78.8 | Confident | 85.7 | Confident | 143 Ų | 143 | 111 Ų | 111 | 67% | 0.668 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -79.3 | -32.1 | 176 | -69.8 | 176.3 | 29.5 | 0 | 0 | 113.1 | E111 L112 V117 | E111-Q115 WeakPolarHBondContact O-CG 3.5Å; E111-Q115 PolarHBondContact O-N 2.74Å; L112-Q115 PolarHBondContact O-N 3.43Å; Q115-V117 PolarHBondContact O-N 3.01Å |
| 116 | V | 79.5 | Confident | 85.6 | Confident | 101 Ų | 101 | 113.3 Ų | 113.3 | 61% | 0.612 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -63.6 | 127.1 | 174.1 | 170.9 | 0 | 0 | 0 | 0 | 109.7 | L112 T118 | L112-V116 WeakPolarHBondContact O-CG2 2.84Å; L112-V116 PolarHBondContact O-N 3.15Å; V116-T118 PolarHBondContact O-N 3.44Å |
| 117 | V | 76.8 | Confident | 85.5 | Confident | 79 Ų | 79 | 113.1 Ų | 113.1 | 48% | 0.479 | 55% | 0.549 | S | S | . | . | trans | -57.6 | 113.7 | 178.5 | 179 | 0 | 0 | 0 | 0 | 109.5 | Q115 R121 L122 | Q115-V117 PolarHBondContact O-N 3.01Å; V117-R121 HydrophobicContact CG1-CB 4.21Å; V117-R121 HydrophobicContact CG1-CG 4.45Å; V117-L122 HydrophobicContact CG1-CB 4.19Å; V117-L122 HydrophobicContact CG1-CD1 4.33Å | ||
| 118 | T | 83.1 | Confident | 85.3 | Confident | 61 Ų | 61 | 110.7 Ų | 110.7 | 37% | 0.374 | 55% | 0.545 | S | S | . | . | trans | -67 | 151.8 | 179.1 | 64.9 | 0 | 0 | 0 | 0 | 111 | V116 Q120 R121 L122 | V116-T118 PolarHBondContact O-N 3.44Å; T118-Q120 VanDerWaalsContact C-N 3.25Å; T118-Q120 PolarHBondContact O-N 2.91Å; T118-Q120 PolarHBondContact OG1-OE1 3.46Å; T118-R121 PolarHBondContact O-N 2.95Å; T118-R121 WeakPolarHBondContact OG1-CB 3.41Å; T118-R121 PolarHBondContact OG1-N 3.42Å; T118-L122 PolarHBondContact O-N 2.94Å | ||
| 119 | P | 83.4 | Confident | 85.1 | Confident | 91 Ų | 91 | 110.5 Ų | 110.5 | 59% | 0.591 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -53.3 | -40.4 | 177.6 | -28.3 | 36.1 | 0 | 0 | 0 | 113.2 | R121 L122 E123 | P119-R121 VanDerWaalsContact C-N 3.32Å; P119-R121 PolarHBondContact O-N 3.49Å; P119-L122 WeakPolarHBondContact O-CB 3.22Å; P119-L122 PolarHBondContact O-N 3.2Å; P119-E123 WeakPolarHBondContact O-CG 3.47Å; P119-E123 PolarHBondContact O-N 3.01Å |
| 120 | Q | 84.5 | Confident | 85.3 | Confident | 124 Ų | 124 | 110.8 Ų | 110.8 | 58% | 0.579 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.8 | -35.9 | 177.5 | -53 | 92.6 | -11.2 | 0 | 0 | 112.2 | T118 E123 L124 | T118-Q120 VanDerWaalsContact C-N 3.25Å; T118-Q120 PolarHBondContact O-N 2.91Å; T118-Q120 PolarHBondContact OG1-OE1 3.46Å; Q120-E123 PolarHBondContact O-N 2.93Å; Q120-L124 WeakPolarHBondContact O-CB 3.44Å; Q120-L124 WeakPolarHBondContact O-CG 3.35Å; Q120-L124 PolarHBondContact O-N 3.43Å |
| 121 | R | 85.6 | Confident | 85.5 | Confident | 170 Ų | 170 | 112.3 Ų | 112.3 | 64% | 0.642 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -73.6 | -32.5 | 177.1 | -168.4 | 166.6 | -174.9 | 166 | 0.8 | 111.7 | V117 T118 P119 L125 | V117-R121 HydrophobicContact CG1-CB 4.21Å; V117-R121 HydrophobicContact CG1-CG 4.45Å; T118-R121 PolarHBondContact O-N 2.95Å; T118-R121 WeakPolarHBondContact OG1-CB 3.41Å; T118-R121 PolarHBondContact OG1-N 3.42Å; P119-R121 VanDerWaalsContact C-N 3.32Å; P119-R121 PolarHBondContact O-N 3.49Å; R121-L125 HydrophobicContact CG-CD1 4.46Å; R121-L125 WeakPolarHBondContact O-CB 3.45Å; R121-L125 WeakPolarHBondContact O-CD1 3.44Å; R121-L125 VanDerWaalsContact O-CG 3.29Å; R121-L125 WeakPolarHBondContact O-CG 3.39Å; R121-L125 PolarHBondContact O-N 3.49Å |
| 122 | L | 85.9 | Confident | 85.4 | Confident | 74 Ų | 74 | 113.2 Ų | 113.2 | 39% | 0.387 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.8 | -41.8 | 170.7 | -166.8 | 82 | 0 | 0 | 0 | 111.5 | V117 T118 P119 L125 R126 | V117-L122 HydrophobicContact CG1-CB 4.19Å; V117-L122 HydrophobicContact CG1-CD1 4.33Å; T118-L122 PolarHBondContact O-N 2.94Å; P119-L122 WeakPolarHBondContact O-CB 3.22Å; P119-L122 PolarHBondContact O-N 3.2Å; L122-L125 PolarHBondContact O-N 3.25Å; L122-R126 WeakPolarHBondContact O-CB 3.25Å; L122-R126 VanDerWaalsContact O-CG 3.32Å; L122-R126 WeakPolarHBondContact O-CG 3.47Å; L122-R126 PolarHBondContact O-N 3.42Å |
| 123 | E | 88.9 | Confident | 85.5 | Confident | 120 Ų | 120 | 115 Ų | 115 | 56% | 0.561 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.5 | -43.5 | 175.8 | -74.4 | 168.4 | 176.9 | 0 | 0 | 111.9 | P119 Q120 R126 A127 | P119-E123 WeakPolarHBondContact O-CG 3.47Å; P119-E123 PolarHBondContact O-N 3.01Å; Q120-E123 PolarHBondContact O-N 2.93Å; E123-R126 PolarHBondContact O-N 3.11Å; E123-A127 WeakPolarHBondContact O-CB 3.45Å; E123-A127 PolarHBondContact O-N 3.17Å |
| 124 | L | 91.3 | Very high | 86 | Confident | 115 Ų | 115 | 109.1 Ų | 109.1 | 60% | 0.602 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.7 | -43.2 | 172.4 | -76.6 | 166.4 | 0 | 0 | 0 | 112.1 | Q120 A127 Q128 | Q120-L124 WeakPolarHBondContact O-CB 3.44Å; Q120-L124 WeakPolarHBondContact O-CG 3.35Å; Q120-L124 PolarHBondContact O-N 3.43Å; L124-A127 PolarHBondContact O-N 3.44Å; L124-Q128 WeakPolarHBondContact O-CB 3.35Å; L124-Q128 WeakPolarHBondContact O-CG 3.49Å; L124-Q128 PolarHBondContact O-N 3.13Å |
| 125 | L | 87.5 | Confident | 86.6 | Confident | 79 Ų | 79 | 103.8 Ų | 103.8 | 41% | 0.414 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 175.1 | -78.9 | 165.3 | 0 | 0 | 0 | 112 | R121 L122 Q128 V129 | R121-L125 HydrophobicContact CG-CD1 4.46Å; R121-L125 WeakPolarHBondContact O-CB 3.45Å; R121-L125 WeakPolarHBondContact O-CD1 3.44Å; R121-L125 VanDerWaalsContact O-CG 3.29Å; R121-L125 WeakPolarHBondContact O-CG 3.39Å; R121-L125 PolarHBondContact O-N 3.49Å; L122-L125 PolarHBondContact O-N 3.25Å; L125-Q128 PolarHBondContact O-N 2.88Å; L125-V129 WeakPolarHBondContact O-CB 3.22Å; L125-V129 VanDerWaalsContact O-CG2 3.3Å; L125-V129 WeakPolarHBondContact O-CG2 3.46Å; L125-V129 PolarHBondContact O-N 2.85Å |
| 126 | R | 89.6 | Confident | 87.2 | Confident | 163 Ų | 163 | 100.4 Ų | 100.4 | 62% | 0.615 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.3 | -44.8 | 173.7 | -76.2 | 172.3 | 177.5 | 179.5 | -1 | 111.5 | L122 E123 V129 Q130 | L122-R126 WeakPolarHBondContact O-CB 3.25Å; L122-R126 VanDerWaalsContact O-CG 3.32Å; L122-R126 WeakPolarHBondContact O-CG 3.47Å; L122-R126 PolarHBondContact O-N 3.42Å; E123-R126 PolarHBondContact O-N 3.11Å; R126-V129 PolarHBondContact O-N 3.35Å; R126-Q130 WeakPolarHBondContact O-CB 3.11Å; R126-Q130 PolarHBondContact O-N 3Å |
| 127 | A | 90.6 | Very high | 87.8 | Confident | 53 Ų | 53 | 99.4 Ų | 99.4 | 44% | 0.438 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E123 L124 Q131 | E123-A127 WeakPolarHBondContact O-CB 3.45Å; E123-A127 PolarHBondContact O-N 3.17Å; L124-A127 PolarHBondContact O-N 3.44Å; A127-Q131 VanDerWaalsContact O-CB 3.24Å; A127-Q131 WeakPolarHBondContact O-CB 3.38Å; A127-Q131 PolarHBondContact O-N 3.48Å |
| 128 | Q | 89.6 | Confident | 88.5 | Confident | 103 Ų | 103 | 103 Ų | 103 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -51.1 | 173.8 | -78.2 | -175.7 | -56.5 | 0 | 0 | 111.7 | L124 L125 Q130 Q131 E132 | L124-Q128 WeakPolarHBondContact O-CB 3.35Å; L124-Q128 WeakPolarHBondContact O-CG 3.49Å; L124-Q128 PolarHBondContact O-N 3.13Å; L125-Q128 PolarHBondContact O-N 2.88Å; Q128-Q130 VanDerWaalsContact C-N 3.29Å; Q128-Q130 PolarHBondContact O-N 3.01Å; Q128-Q131 PolarHBondContact O-N 3.3Å; Q128-Q131 VanDerWaalsContact O-N 3.12Å; Q128-E132 WeakPolarHBondContact O-CB 3.41Å; Q128-E132 WeakPolarHBondContact O-CG 3.26Å; Q128-E132 PolarHBondContact O-N 3.48Å |
| 129 | V | 87.8 | Confident | 89 | Confident | 82 Ų | 82 | 105.1 Ų | 105.1 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60 | -41 | 177.5 | 170.1 | 0 | 0 | 0 | 0 | 111 | L125 R126 E132 M133 | L125-V129 WeakPolarHBondContact O-CB 3.22Å; L125-V129 VanDerWaalsContact O-CG2 3.3Å; L125-V129 WeakPolarHBondContact O-CG2 3.46Å; L125-V129 PolarHBondContact O-N 2.85Å; R126-V129 PolarHBondContact O-N 3.35Å; V129-E132 PolarHBondContact O-N 3.17Å; V129-M133 WeakPolarHBondContact O-CB 3.33Å; V129-M133 WeakPolarHBondContact O-CG 3.4Å; V129-M133 PolarHBondContact O-N 2.95Å |
| 130 | Q | 88.6 | Confident | 89.6 | Confident | 112 Ų | 112 | 109.5 Ų | 109.5 | 52% | 0.523 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | 175.7 | -173.3 | 170.2 | 0.6 | 0 | 0 | 111.7 | R126 Q128 M133 E134 | R126-Q130 WeakPolarHBondContact O-CB 3.11Å; R126-Q130 PolarHBondContact O-N 3Å; Q128-Q130 VanDerWaalsContact C-N 3.29Å; Q128-Q130 PolarHBondContact O-N 3.01Å; Q130-M133 PolarHBondContact O-N 3.31Å; Q130-E134 HydrophobicContact CG-CG 4.29Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.37Å; Q130-E134 PolarHBondContact NE2-OE1 3.38Å; Q130-E134 VanDerWaalsContact O-CB 3.28Å; Q130-E134 WeakPolarHBondContact O-CB 3.36Å; Q130-E134 VanDerWaalsContact O-CG 3.32Å; Q130-E134 WeakPolarHBondContact O-CG 3.3Å; Q130-E134 PolarHBondContact O-N 2.89Å |
| 131 | Q | 92.2 | Very high | 89.9 | Confident | 138 Ų | 138 | 109.6 Ų | 109.6 | 65% | 0.645 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.7 | -43.3 | 175.9 | -175.3 | 175 | 9.7 | 0 | 0 | 112.3 | A127 Q128 M133 E134 A135 | A127-Q131 VanDerWaalsContact O-CB 3.24Å; A127-Q131 WeakPolarHBondContact O-CB 3.38Å; A127-Q131 PolarHBondContact O-N 3.48Å; Q128-Q131 PolarHBondContact O-N 3.3Å; Q128-Q131 VanDerWaalsContact O-N 3.12Å; Q131-M133 VanDerWaalsContact C-N 3.28Å; Q131-M133 PolarHBondContact O-N 3.18Å; Q131-E134 PolarHBondContact O-N 2.87Å; Q131-A135 WeakPolarHBondContact O-CB 3.44Å; Q131-A135 PolarHBondContact O-N 3.18Å |
| 132 | E | 85.8 | Confident | 90.4 | Very high | 132 Ų | 132 | 105.7 Ų | 105.7 | 62% | 0.617 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.1 | -31.2 | 177.4 | -74.9 | 173.9 | -175.8 | 0 | 0 | 112.5 | Q128 V129 P136 | Q128-E132 WeakPolarHBondContact O-CB 3.41Å; Q128-E132 WeakPolarHBondContact O-CG 3.26Å; Q128-E132 PolarHBondContact O-N 3.48Å; V129-E132 PolarHBondContact O-N 3.17Å; E132-P136 WeakPolarHBondContact O-CD 3.29Å; E132-P136 WeakPolarHBondContact O-CG 3.3Å |
| 133 | M | 86.3 | Confident | 90.8 | Very high | 133 Ų | 133 | 107.4 Ų | 107.4 | 66% | 0.655 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -83.9 | -39.7 | 175.7 | -67.6 | -62.4 | -64.7 | 0 | 0 | 112.7 | V129 Q130 Q131 V137 | V129-M133 WeakPolarHBondContact O-CB 3.33Å; V129-M133 WeakPolarHBondContact O-CG 3.4Å; V129-M133 PolarHBondContact O-N 2.95Å; Q130-M133 PolarHBondContact O-N 3.31Å; Q131-M133 VanDerWaalsContact C-N 3.28Å; Q131-M133 PolarHBondContact O-N 3.18Å; M133-V137 WeakPolarHBondContact O-CG2 3.44Å |
| 134 | E | 91.4 | Very high | 91 | Very high | 68 Ų | 68 | 105.8 Ų | 105.8 | 32% | 0.318 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -80.4 | -37.3 | -177 | -71.7 | -176.3 | -159.6 | 0 | 0 | 113.5 | Q130 Q131 V137 R138 | Q130-E134 HydrophobicContact CG-CG 4.29Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.37Å; Q130-E134 PolarHBondContact NE2-OE1 3.38Å; Q130-E134 VanDerWaalsContact O-CB 3.28Å; Q130-E134 WeakPolarHBondContact O-CB 3.36Å; Q130-E134 VanDerWaalsContact O-CG 3.32Å; Q130-E134 WeakPolarHBondContact O-CG 3.3Å; Q130-E134 PolarHBondContact O-N 2.89Å; Q131-E134 PolarHBondContact O-N 2.87Å; E134-V137 PolarHBondContact O-N 3.29Å; E134-R138 VanDerWaalsContact O-CG 3.28Å; E134-R138 WeakPolarHBondContact O-CG 3.44Å; E134-R138 PolarHBondContact O-N 2.82Å; E134-R138 IonicContact OE2-CZ 3.92Å; E134-R138 IonicContact OE2-NE 2.68Å; E134-R138 IonicContact OE2-NH2 3.67Å; E134-R138 PolarHBondContact OE2-NH2 3.29Å |
| 135 | A | 91.1 | Very high | 91.2 | Very high | 38 Ų | 38 | 106.2 Ų | 106.2 | 31% | 0.314 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -56.5 | -52 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | Q131 V137 R138 E139 | Q131-A135 WeakPolarHBondContact O-CB 3.44Å; Q131-A135 PolarHBondContact O-N 3.18Å; A135-V137 VanDerWaalsContact C-N 3.27Å; A135-V137 PolarHBondContact O-N 3.3Å; A135-R138 PolarHBondContact O-N 2.93Å; A135-E139 PolarHBondContact O-N 3.42Å |
| 136 | P | 92.4 | Very high | 91.6 | Very high | 73 Ų | 73 | 107.6 Ų | 107.6 | 47% | 0.474 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.7 | -28.8 | 179.9 | 27 | -35.6 | 0 | 0 | 0 | 112.6 | E132 R140 | E132-P136 WeakPolarHBondContact O-CD 3.29Å; E132-P136 WeakPolarHBondContact O-CG 3.3Å; P136-R140 WeakPolarHBondContact O-CB 3.46Å; P136-R140 PolarHBondContact O-N 2.9Å |
| 137 | V | 90.8 | Very high | 92 | Very high | 80 Ų | 80 | 104 Ų | 104 | 49% | 0.485 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.6 | -47.8 | 173.7 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | M133 E134 A135 E139 R140 F141 | M133-V137 WeakPolarHBondContact O-CG2 3.44Å; E134-V137 PolarHBondContact O-N 3.29Å; A135-V137 VanDerWaalsContact C-N 3.27Å; A135-V137 PolarHBondContact O-N 3.3Å; V137-E139 PolarHBondContact O-N 3.28Å; V137-R140 PolarHBondContact O-N 3.19Å; V137-F141 HydrophobicContact CG1-CD2 3.86Å; V137-F141 HydrophobicContact CG1-CE2 3.84Å; V137-F141 WeakPolarHBondContact O-CD2 3.35Å; V137-F141 PolarHBondContact O-N 2.78Å |
| 138 | R | 92.8 | Very high | 92.1 | Very high | 154 Ų | 154 | 103.2 Ų | 103.2 | 58% | 0.581 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.7 | -45.2 | 175.2 | -68 | 172.4 | -169.2 | -163.2 | 6.2 | 111.7 | E134 A135 R140 F141 N142 | E134-R138 VanDerWaalsContact O-CG 3.28Å; E134-R138 WeakPolarHBondContact O-CG 3.44Å; E134-R138 PolarHBondContact O-N 2.82Å; E134-R138 IonicContact OE2-CZ 3.92Å; E134-R138 IonicContact OE2-NE 2.68Å; E134-R138 IonicContact OE2-NH2 3.67Å; E134-R138 PolarHBondContact OE2-NH2 3.29Å; A135-R138 PolarHBondContact O-N 2.93Å; R138-R140 VanDerWaalsContact C-N 3.31Å; R138-R140 PolarHBondContact O-N 3.4Å; R138-F141 PolarHBondContact O-N 3.14Å; R138-N142 VanDerWaalsContact O-CG 3.25Å; R138-N142 PolarHBondContact O-N 3.27Å; R138-N142 PolarHBondContact O-OD1 3.19Å |
| 139 | E | 93.1 | Very high | 92.5 | Very high | 106 Ų | 106 | 103.5 Ų | 103.5 | 50% | 0.495 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -39.8 | 175 | -77.8 | -172.3 | -155.9 | 0 | 0 | 113 | A135 V137 N142 K143 | A135-E139 PolarHBondContact O-N 3.42Å; V137-E139 PolarHBondContact O-N 3.28Å; E139-N142 PolarHBondContact O-N 2.87Å; E139-K143 WeakPolarHBondContact O-CB 3.41Å; E139-K143 WeakPolarHBondContact O-CD 3.3Å; E139-K143 VanDerWaalsContact O-CG 3.29Å; E139-K143 WeakPolarHBondContact O-CG 3.41Å; E139-K143 PolarHBondContact O-N 3.41Å; E139-K143 IonicContact OE2-NZ 2.72Å; E139-K143 PolarHBondContact OE2-NZ 2.87Å |
| 140 | R | 95.2 | Very high | 93 | Very high | 182 Ų | 182 | 104.5 Ų | 104.5 | 69% | 0.687 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.4 | -40.4 | 176.7 | -173.6 | 179.9 | 179 | -162.8 | -1.5 | 111.5 | P136 V137 R138 K143 L144 | P136-R140 WeakPolarHBondContact O-CB 3.46Å; P136-R140 PolarHBondContact O-N 2.9Å; V137-R140 PolarHBondContact O-N 3.19Å; R138-R140 VanDerWaalsContact C-N 3.31Å; R138-R140 PolarHBondContact O-N 3.4Å; R140-K143 PolarHBondContact O-N 2.93Å; R140-L144 HydrophobicContact CG-CD1 4.25Å; R140-L144 VanDerWaalsContact O-CG 3.3Å; R140-L144 WeakPolarHBondContact O-CG 3.44Å; R140-L144 PolarHBondContact O-N 3.02Å; R140-L144 VanDerWaalsContact O-N 3.08Å |
| 141 | F | 91.7 | Very high | 93.3 | Very high | 126 Ų | 126 | 106.4 Ų | 106.4 | 55% | 0.553 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.4 | -49.8 | 172.7 | -89.5 | -74.7 | 0 | 0 | 0 | 111.5 | V137 R138 K143 L144 E145 | V137-F141 HydrophobicContact CG1-CD2 3.86Å; V137-F141 HydrophobicContact CG1-CE2 3.84Å; V137-F141 WeakPolarHBondContact O-CD2 3.35Å; V137-F141 PolarHBondContact O-N 2.78Å; R138-F141 PolarHBondContact O-N 3.14Å; F141-K143 VanDerWaalsContact C-N 3.31Å; F141-K143 PolarHBondContact O-N 2.99Å; F141-L144 PolarHBondContact O-N 3.1Å; F141-L144 VanDerWaalsContact O-N 3.1Å; F141-E145 WeakPolarHBondContact O-CG 3.47Å; F141-E145 PolarHBondContact O-N 3.11Å |
| 142 | N | 95.1 | Very high | 93.6 | Very high | 89 Ų | 89 | 106.8 Ų | 106.8 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.1 | -43.3 | 178.1 | -65.7 | 0.4 | 0 | 0 | 0 | 112.1 | R138 E139 E145 E146 | R138-N142 VanDerWaalsContact O-CG 3.25Å; R138-N142 PolarHBondContact O-N 3.27Å; R138-N142 PolarHBondContact O-OD1 3.19Å; E139-N142 PolarHBondContact O-N 2.87Å; N142-E145 PolarHBondContact O-N 2.93Å; N142-E146 WeakPolarHBondContact O-CG 3.46Å; N142-E146 PolarHBondContact O-N 3.07Å |
| 143 | K | 95.8 | Very high | 94.1 | Very high | 109 Ų | 109 | 102.8 Ų | 102.8 | 47% | 0.474 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 176.4 | -73.6 | 163.6 | -175.1 | 158.3 | 0 | 112.1 | E139 R140 F141 E146 E147 | E139-K143 WeakPolarHBondContact O-CB 3.41Å; E139-K143 WeakPolarHBondContact O-CD 3.3Å; E139-K143 VanDerWaalsContact O-CG 3.29Å; E139-K143 WeakPolarHBondContact O-CG 3.41Å; E139-K143 PolarHBondContact O-N 3.41Å; E139-K143 IonicContact OE2-NZ 2.72Å; E139-K143 PolarHBondContact OE2-NZ 2.87Å; R140-K143 PolarHBondContact O-N 2.93Å; F141-K143 VanDerWaalsContact C-N 3.31Å; F141-K143 PolarHBondContact O-N 2.99Å; K143-E146 PolarHBondContact O-N 2.99Å; K143-E147 WeakPolarHBondContact O-CB 3.41Å; K143-E147 WeakPolarHBondContact O-CG 3.35Å; K143-E147 PolarHBondContact O-N 2.89Å |
| 144 | L | 92.8 | Very high | 94.6 | Very high | 86 Ų | 86 | 101.7 Ų | 101.7 | 45% | 0.45 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.3 | -36 | 176.1 | -71.2 | 168.7 | 0 | 0 | 0 | 112.5 | R140 F141 A148 | R140-L144 HydrophobicContact CG-CD1 4.25Å; R140-L144 VanDerWaalsContact O-CG 3.3Å; R140-L144 WeakPolarHBondContact O-CG 3.44Å; R140-L144 PolarHBondContact O-N 3.02Å; R140-L144 VanDerWaalsContact O-N 3.08Å; F141-L144 PolarHBondContact O-N 3.1Å; F141-L144 VanDerWaalsContact O-N 3.1Å; L144-A148 WeakPolarHBondContact O-CB 3.49Å; L144-A148 PolarHBondContact O-N 2.85Å |
| 145 | E | 95 | Very high | 94.9 | Very high | 125 Ų | 125 | 105.5 Ų | 105.5 | 58% | 0.584 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.1 | -44 | 173.5 | -73 | -178.1 | 175.3 | 0 | 0 | 111.6 | F141 N142 E147 A148 E149 | F141-E145 WeakPolarHBondContact O-CG 3.47Å; F141-E145 PolarHBondContact O-N 3.11Å; N142-E145 PolarHBondContact O-N 2.93Å; E145-E147 PolarHBondContact O-N 3.38Å; E145-A148 PolarHBondContact O-N 3.19Å; E145-E149 WeakPolarHBondContact O-CB 3.19Å; E145-E149 PolarHBondContact O-N 2.76Å |
| 146 | E | 97 | Very high | 95.2 | Very high | 107 Ų | 107 | 107.6 Ų | 107.6 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 173.2 | -76.7 | -176.8 | -153 | 0 | 0 | 112.7 | N142 K143 E149 K150 | N142-E146 WeakPolarHBondContact O-CG 3.46Å; N142-E146 PolarHBondContact O-N 3.07Å; K143-E146 PolarHBondContact O-N 2.99Å; E146-E149 PolarHBondContact O-N 2.99Å; E146-K150 WeakPolarHBondContact O-CB 3.45Å; E146-K150 VanDerWaalsContact O-CD 3.31Å; E146-K150 WeakPolarHBondContact O-CD 3.36Å; E146-K150 WeakPolarHBondContact O-CG 3.41Å; E146-K150 PolarHBondContact O-N 3.21Å; E146-K150 IonicContact OE2-NZ 3.87Å; E146-K150 PolarHBondContact OE2-NZ 3.44Å |
| 147 | E | 96.4 | Very high | 95.5 | Very high | 89 Ų | 89 | 110.5 Ų | 110.5 | 42% | 0.416 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 175 | -76.6 | 170.8 | -167.7 | 0 | 0 | 111.2 | K143 E145 E149 K150 Y151 | K143-E147 WeakPolarHBondContact O-CB 3.41Å; K143-E147 WeakPolarHBondContact O-CG 3.35Å; K143-E147 PolarHBondContact O-N 2.89Å; E145-E147 PolarHBondContact O-N 3.38Å; E147-E149 VanDerWaalsContact C-N 3.32Å; E147-E149 PolarHBondContact O-N 3.2Å; E147-K150 PolarHBondContact O-N 3.38Å; E147-Y151 HydrophobicContact CB-CE2 4.35Å; E147-Y151 WeakPolarHBondContact O-CD2 3.33Å; E147-Y151 PolarHBondContact O-N 3.36Å |
| 148 | A | 94.4 | Very high | 95.8 | Very high | 36 Ų | 36 | 112.4 Ų | 112.4 | 30% | 0.298 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L144 E145 Y151 R152 | L144-A148 WeakPolarHBondContact O-CB 3.49Å; L144-A148 PolarHBondContact O-N 2.85Å; E145-A148 PolarHBondContact O-N 3.19Å; A148-Y151 PolarHBondContact O-N 2.94Å; A148-R152 WeakPolarHBondContact O-CB 3.43Å; A148-R152 VanDerWaalsContact O-CG 3.26Å; A148-R152 WeakPolarHBondContact O-CG 3.26Å; A148-R152 PolarHBondContact O-N 3.29Å |
| 149 | E | 97.3 | Very high | 96.1 | Very high | 109 Ų | 109 | 111.9 Ų | 111.9 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.7 | -38 | 178.3 | -152.6 | 61.7 | -159.1 | 0 | 0 | 112.1 | E145 E146 E147 R152 S153 | E145-E149 WeakPolarHBondContact O-CB 3.19Å; E145-E149 PolarHBondContact O-N 2.76Å; E146-E149 PolarHBondContact O-N 2.99Å; E147-E149 VanDerWaalsContact C-N 3.32Å; E147-E149 PolarHBondContact O-N 3.2Å; E149-R152 PolarHBondContact O-N 3.46Å; E149-R152 VanDerWaalsContact OE2-CD 3.32Å; E149-R152 WeakPolarHBondContact OE2-CD 3.49Å; E149-R152 IonicContact OE2-CZ 2.82Å; E149-R152 IonicContact OE2-NE 3.45Å; E149-R152 IonicContact OE2-NH1 3.54Å; E149-R152 PolarHBondContact OE2-NH1 3.11Å; E149-S153 WeakPolarHBondContact O-CB 3.35Å; E149-S153 PolarHBondContact O-N 2.87Å |
| 150 | K | 97.6 | Very high | 96.3 | Very high | 102 Ų | 102 | 114.6 Ų | 114.6 | 44% | 0.443 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.5 | -52.4 | 170.2 | -72.7 | 158.4 | -164.2 | 158.5 | 0 | 110.1 | E146 E147 R152 S153 E154 | E146-K150 WeakPolarHBondContact O-CB 3.45Å; E146-K150 VanDerWaalsContact O-CD 3.31Å; E146-K150 WeakPolarHBondContact O-CD 3.36Å; E146-K150 WeakPolarHBondContact O-CG 3.41Å; E146-K150 PolarHBondContact O-N 3.21Å; E146-K150 IonicContact OE2-NZ 3.87Å; E146-K150 PolarHBondContact OE2-NZ 3.44Å; E147-K150 PolarHBondContact O-N 3.38Å; K150-R152 PolarHBondContact O-N 3.37Å; K150-S153 WeakPolarHBondContact O-CB 3.21Å; K150-S153 PolarHBondContact O-N 2.84Å; K150-S153 PolarHBondContact O-OG 3.31Å; K150-E154 WeakPolarHBondContact O-CG 3.38Å; K150-E154 PolarHBondContact O-N 3.4Å |
| 151 | Y | 96.1 | Very high | 96.4 | Very high | 152 Ų | 152 | 110 Ų | 110 | 60% | 0.596 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.8 | -37.7 | 178.4 | -67.4 | -48.6 | 0 | 0 | 0 | 113.4 | E147 A148 S153 E154 Y155 | E147-Y151 HydrophobicContact CB-CE2 4.35Å; E147-Y151 WeakPolarHBondContact O-CD2 3.33Å; E147-Y151 PolarHBondContact O-N 3.36Å; A148-Y151 PolarHBondContact O-N 2.94Å; Y151-S153 VanDerWaalsContact C-N 3.34Å; Y151-S153 PolarHBondContact O-N 2.9Å; Y151-E154 PolarHBondContact O-N 2.86Å; Y151-Y155 VanDerWaalsContact O-CB 3.28Å; Y151-Y155 WeakPolarHBondContact O-CB 3.41Å; Y151-Y155 PolarHBondContact O-N 3.36Å |
| 152 | R | 98 | Very high | 96.6 | Very high | 146 Ų | 146 | 110.7 Ų | 110.7 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.9 | -43.7 | 171 | -74.9 | 167 | -176.1 | 153 | 3.9 | 111.4 | A148 E149 K150 N156 | A148-R152 WeakPolarHBondContact O-CB 3.43Å; A148-R152 VanDerWaalsContact O-CG 3.26Å; A148-R152 WeakPolarHBondContact O-CG 3.26Å; A148-R152 PolarHBondContact O-N 3.29Å; E149-R152 PolarHBondContact O-N 3.46Å; E149-R152 VanDerWaalsContact OE2-CD 3.32Å; E149-R152 WeakPolarHBondContact OE2-CD 3.49Å; E149-R152 IonicContact OE2-CZ 2.82Å; E149-R152 IonicContact OE2-NE 3.45Å; E149-R152 IonicContact OE2-NH1 3.54Å; E149-R152 PolarHBondContact OE2-NH1 3.11Å; K150-R152 PolarHBondContact O-N 3.37Å; R152-N156 WeakPolarHBondContact O-CB 3.39Å; R152-N156 VanDerWaalsContact O-CG 3.28Å; R152-N156 PolarHBondContact O-N 3.23Å; R152-N156 PolarHBondContact O-ND2 2.91Å; R152-N156 VanDerWaalsContact O-ND2 3.16Å |
| 153 | S | 96.9 | Very high | 96.7 | Very high | 49 Ų | 49 | 110.4 Ų | 110.4 | 34% | 0.343 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 179 | 86 | 0 | 0 | 0 | 0 | 112.5 | E149 K150 Y151 N156 K157 | E149-S153 WeakPolarHBondContact O-CB 3.35Å; E149-S153 PolarHBondContact O-N 2.87Å; K150-S153 WeakPolarHBondContact O-CB 3.21Å; K150-S153 PolarHBondContact O-N 2.84Å; K150-S153 PolarHBondContact O-OG 3.31Å; Y151-S153 VanDerWaalsContact C-N 3.34Å; Y151-S153 PolarHBondContact O-N 2.9Å; S153-N156 PolarHBondContact O-N 3.34Å; S153-K157 WeakPolarHBondContact O-CG 3.36Å; S153-K157 PolarHBondContact O-N 3.15Å |
| 154 | E | 97 | Very high | 96.8 | Very high | 110 Ų | 110 | 107.4 Ų | 107.4 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68 | -44 | 177.1 | -72 | 176.7 | 178.3 | 0 | 0 | 111.7 | K150 Y151 N156 K157 L158 | K150-E154 WeakPolarHBondContact O-CG 3.38Å; K150-E154 PolarHBondContact O-N 3.4Å; Y151-E154 PolarHBondContact O-N 2.86Å; E154-N156 VanDerWaalsContact C-N 3.32Å; E154-N156 PolarHBondContact O-N 3.48Å; E154-K157 PolarHBondContact O-N 3.39Å; E154-L158 WeakPolarHBondContact O-CB 3.27Å; E154-L158 PolarHBondContact O-N 2.87Å |
| 155 | Y | 96.9 | Very high | 96.9 | Very high | 148 Ų | 148 | 107.4 Ų | 107.4 | 58% | 0.58 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.1 | -44.5 | 173 | 175.1 | -95.4 | 0 | 0 | 0 | 111.7 | Y151 L158 R159 | Y151-Y155 VanDerWaalsContact O-CB 3.28Å; Y151-Y155 WeakPolarHBondContact O-CB 3.41Å; Y151-Y155 PolarHBondContact O-N 3.36Å; Y155-L158 PolarHBondContact O-N 3.46Å; Y155-R159 VanDerWaalsContact O-CB 3.27Å; Y155-R159 WeakPolarHBondContact O-CB 3.46Å; Y155-R159 PolarHBondContact O-N 2.95Å |
| 156 | N | 97.9 | Very high | 97 | Very high | 82 Ų | 82 | 106.5 Ų | 106.5 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 178.5 | -77.6 | -31.3 | 0 | 0 | 0 | 112.6 | R152 S153 E154 Y160 | R152-N156 WeakPolarHBondContact O-CB 3.39Å; R152-N156 VanDerWaalsContact O-CG 3.28Å; R152-N156 PolarHBondContact O-N 3.23Å; R152-N156 PolarHBondContact O-ND2 2.91Å; R152-N156 VanDerWaalsContact O-ND2 3.16Å; S153-N156 PolarHBondContact O-N 3.34Å; E154-N156 VanDerWaalsContact C-N 3.32Å; E154-N156 PolarHBondContact O-N 3.48Å; N156-Y160 PolarHBondContact O-N 3.41Å; N156-Y160 VanDerWaalsContact O-N 3.11Å |
| 157 | K | 98.2 | Very high | 96.9 | Very high | 133 Ų | 133 | 104.3 Ų | 104.3 | 58% | 0.578 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.5 | -53.5 | 172.1 | -71.8 | 168.1 | -178.9 | 171.6 | 0 | 111.1 | S153 E154 R159 Y160 D161 | S153-K157 WeakPolarHBondContact O-CG 3.36Å; S153-K157 PolarHBondContact O-N 3.15Å; E154-K157 PolarHBondContact O-N 3.39Å; K157-R159 VanDerWaalsContact C-N 3.27Å; K157-R159 PolarHBondContact O-N 2.9Å; K157-Y160 WeakPolarHBondContact O-CA 3.43Å; K157-Y160 WeakPolarHBondContact O-CB 3.49Å; K157-Y160 PolarHBondContact O-N 3.18Å; K157-D161 PolarHBondContact O-N 3.44Å |
| 158 | L | 96.9 | Very high | 96.9 | Very high | 120 Ų | 120 | 105.2 Ų | 105.2 | 63% | 0.628 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.7 | -36.3 | -179.3 | -175.7 | 63.2 | 0 | 0 | 0 | 112.4 | E154 Y155 F162 | E154-L158 WeakPolarHBondContact O-CB 3.27Å; E154-L158 PolarHBondContact O-N 2.87Å; Y155-L158 PolarHBondContact O-N 3.46Å; L158-F162 WeakPolarHBondContact O-CB 3.18Å; L158-F162 PolarHBondContact O-N 2.93Å |
| 159 | R | 98.1 | Very high | 97 | Very high | 143 Ų | 143 | 107.2 Ų | 107.2 | 54% | 0.54 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.6 | -38.2 | 174.3 | -170.1 | -174.1 | 72.9 | 166.6 | 2.4 | 112.3 | Y155 K157 T163 | Y155-R159 VanDerWaalsContact O-CB 3.27Å; Y155-R159 WeakPolarHBondContact O-CB 3.46Å; Y155-R159 PolarHBondContact O-N 2.95Å; K157-R159 VanDerWaalsContact C-N 3.27Å; K157-R159 PolarHBondContact O-N 2.9Å; R159-T163 PolarHBondContact O-N 2.73Å; R159-T163 PolarHBondContact O-OG1 3.02Å |
| 160 | Y | 98.1 | Very high | 97 | Very high | 163 Ų | 163 | 106.1 Ų | 106.1 | 64% | 0.639 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.6 | -51.7 | 174.2 | -178.8 | -94.2 | 0 | 0 | 0 | 110.6 | N156 K157 F162 T163 V164 | N156-Y160 PolarHBondContact O-N 3.41Å; N156-Y160 VanDerWaalsContact O-N 3.11Å; K157-Y160 WeakPolarHBondContact O-CA 3.43Å; K157-Y160 WeakPolarHBondContact O-CB 3.49Å; K157-Y160 PolarHBondContact O-N 3.18Å; Y160-F162 VanDerWaalsContact C-N 3.33Å; Y160-F162 PolarHBondContact O-N 3.42Å; Y160-T163 WeakPolarHBondContact O-CA 3.35Å; Y160-T163 WeakPolarHBondContact O-CB 3.41Å; Y160-T163 PolarHBondContact O-N 2.76Å; Y160-V164 HydrophobicContact CD1-CG2 4.1Å; Y160-V164 HydrophobicContact CE1-CG2 3.7Å; Y160-V164 PolarHBondContact O-N 3.19Å |
| 161 | D | 96.7 | Very high | 96.9 | Very high | 87 Ų | 87 | 105.8 Ų | 105.8 | 47% | 0.465 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 179.5 | -62.5 | -24.4 | 0 | 0 | 0 | 111.8 | K157 T163 V164 V165 | K157-D161 PolarHBondContact O-N 3.44Å; D161-T163 VanDerWaalsContact C-N 3.29Å; D161-T163 PolarHBondContact O-N 3.16Å; D161-V164 PolarHBondContact O-N 3.11Å; D161-V165 WeakPolarHBondContact O-CB 3.45Å; D161-V165 WeakPolarHBondContact O-CG2 3.35Å; D161-V165 PolarHBondContact O-N 3.42Å |
| 162 | F | 96.2 | Very high | 97 | Very high | 140 Ų | 140 | 103.9 Ų | 103.9 | 61% | 0.614 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.6 | -40.3 | 173.5 | 174.9 | -99.7 | 0 | 0 | 0 | 112.3 | L158 Y160 K166 | L158-F162 WeakPolarHBondContact O-CB 3.18Å; L158-F162 PolarHBondContact O-N 2.93Å; Y160-F162 VanDerWaalsContact C-N 3.33Å; Y160-F162 PolarHBondContact O-N 3.42Å; F162-K166 WeakPolarHBondContact O-CB 3.32Å; F162-K166 PolarHBondContact O-N 3Å |
| 163 | T | 97.6 | Very high | 96.9 | Very high | 83 Ų | 83 | 104.9 Ų | 104.9 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.2 | -43 | 178.7 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | R159 Y160 D161 K166 S167 | R159-T163 PolarHBondContact O-N 2.73Å; R159-T163 PolarHBondContact O-OG1 3.02Å; Y160-T163 WeakPolarHBondContact O-CA 3.35Å; Y160-T163 WeakPolarHBondContact O-CB 3.41Å; Y160-T163 PolarHBondContact O-N 2.76Å; D161-T163 VanDerWaalsContact C-N 3.29Å; D161-T163 PolarHBondContact O-N 3.16Å; T163-K166 PolarHBondContact O-N 3.3Å; T163-S167 PolarHBondContact O-N 2.87Å; T163-S167 PolarHBondContact O-OG 2.87Å |
| 164 | V | 97.4 | Very high | 96.9 | Very high | 46 Ų | 46 | 107.3 Ų | 107.3 | 28% | 0.279 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -52.7 | 175.3 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | Y160 D161 K166 S167 Q168 | Y160-V164 HydrophobicContact CD1-CG2 4.1Å; Y160-V164 HydrophobicContact CE1-CG2 3.7Å; Y160-V164 PolarHBondContact O-N 3.19Å; D161-V164 PolarHBondContact O-N 3.11Å; V164-K166 VanDerWaalsContact C-N 3.31Å; V164-K166 PolarHBondContact O-N 3.43Å; V164-S167 PolarHBondContact O-N 3.41Å; V164-S167 VanDerWaalsContact O-N 3.15Å; V164-S167 PolarHBondContact O-OG 2.98Å; V164-Q168 HydrophobicContact CG1-CG 4.48Å; V164-Q168 WeakPolarHBondContact O-CG 3.35Å; V164-Q168 PolarHBondContact O-N 3.24Å |
| 165 | V | 96.1 | Very high | 96.9 | Very high | 86 Ų | 86 | 106.1 Ų | 106.1 | 52% | 0.521 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 179.3 | 172 | 0 | 0 | 0 | 0 | 111.7 | D161 Q168 L169 | D161-V165 WeakPolarHBondContact O-CB 3.45Å; D161-V165 WeakPolarHBondContact O-CG2 3.35Å; D161-V165 PolarHBondContact O-N 3.42Å; V165-Q168 PolarHBondContact O-N 2.86Å; V165-L169 WeakPolarHBondContact O-CB 3.48Å; V165-L169 PolarHBondContact O-N 3.06Å |
| 166 | K | 97.1 | Very high | 96.8 | Very high | 105 Ų | 105 | 104.6 Ų | 104.6 | 46% | 0.457 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 174.8 | -176.4 | -178 | 165.1 | -173.3 | 0 | 111.3 | F162 T163 V164 Q168 L169 E170 | F162-K166 WeakPolarHBondContact O-CB 3.32Å; F162-K166 PolarHBondContact O-N 3Å; T163-K166 PolarHBondContact O-N 3.3Å; V164-K166 VanDerWaalsContact C-N 3.31Å; V164-K166 PolarHBondContact O-N 3.43Å; K166-Q168 PolarHBondContact O-N 3.22Å; K166-L169 PolarHBondContact O-N 3.19Å; K166-E170 WeakPolarHBondContact CE-OE1 3.33Å; K166-E170 IonicContact NZ-OE1 3.52Å; K166-E170 WeakPolarHBondContact O-CG 3.5Å; K166-E170 PolarHBondContact O-N 3.45Å |
| 167 | S | 94.6 | Very high | 96.7 | Very high | 62 Ų | 62 | 104.5 Ų | 104.5 | 43% | 0.434 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -37.8 | 178.6 | 69.5 | 0 | 0 | 0 | 0 | 113.1 | T163 V164 E170 H171 | T163-S167 PolarHBondContact O-N 2.87Å; T163-S167 PolarHBondContact O-OG 2.87Å; V164-S167 PolarHBondContact O-N 3.41Å; V164-S167 VanDerWaalsContact O-N 3.15Å; V164-S167 PolarHBondContact O-OG 2.98Å; S167-E170 PolarHBondContact O-N 2.88Å; S167-H171 WeakPolarHBondContact O-CB 3.46Å; S167-H171 PolarHBondContact O-N 3.29Å |
| 168 | Q | 96.6 | Very high | 96.7 | Very high | 107 Ų | 107 | 104.7 Ų | 104.7 | 50% | 0.5 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -41 | 174.3 | -71.9 | 173.6 | -8.9 | 0 | 0 | 112.1 | V164 V165 K166 H171 Q172 | V164-Q168 HydrophobicContact CG1-CG 4.48Å; V164-Q168 WeakPolarHBondContact O-CG 3.35Å; V164-Q168 PolarHBondContact O-N 3.24Å; V165-Q168 PolarHBondContact O-N 2.86Å; K166-Q168 PolarHBondContact O-N 3.22Å; Q168-H171 PolarHBondContact O-N 3.43Å; Q168-Q172 WeakPolarHBondContact O-CG 3.39Å; Q168-Q172 PolarHBondContact O-N 3.39Å |
| 169 | L | 94.9 | Very high | 96.7 | Very high | 79 Ų | 79 | 102.4 Ų | 102.4 | 41% | 0.414 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.4 | -35.2 | 177.7 | 178.1 | 134.4 | 0 | 0 | 0 | 112.5 | V165 K166 R173 | V165-L169 WeakPolarHBondContact O-CB 3.48Å; V165-L169 PolarHBondContact O-N 3.06Å; K166-L169 PolarHBondContact O-N 3.19Å; L169-R173 WeakPolarHBondContact O-CD 3.42Å; L169-R173 VanDerWaalsContact O-CG 3.22Å; L169-R173 WeakPolarHBondContact O-CG 3.49Å; L169-R173 PolarHBondContact O-N 2.97Å |
| 170 | E | 97.1 | Very high | 96.5 | Very high | 86 Ų | 86 | 101.2 Ų | 101.2 | 40% | 0.402 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 171.3 | -73.8 | 168.8 | 168.7 | 0 | 0 | 110.6 | K166 S167 R173 E174 | K166-E170 WeakPolarHBondContact CE-OE1 3.33Å; K166-E170 IonicContact NZ-OE1 3.52Å; K166-E170 WeakPolarHBondContact O-CG 3.5Å; K166-E170 PolarHBondContact O-N 3.45Å; S167-E170 PolarHBondContact O-N 2.88Å; E170-R173 WeakPolarHBondContact O-CB 3.45Å; E170-R173 PolarHBondContact O-N 3.39Å; E170-E174 PolarHBondContact O-N 2.87Å; E170-E174 VanDerWaalsContact O-N 3.08Å |
| 171 | H | 97.3 | Very high | 96.4 | Very high | 95 Ų | 95 | 98 Ų | 98 | 44% | 0.44 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 176.2 | -179 | 42.5 | 0 | 0 | 0 | 113.1 | S167 Q168 R173 E174 E175 | S167-H171 WeakPolarHBondContact O-CB 3.46Å; S167-H171 PolarHBondContact O-N 3.29Å; Q168-H171 PolarHBondContact O-N 3.43Å; H171-R173 VanDerWaalsContact C-N 3.29Å; H171-R173 PolarHBondContact O-N 3.02Å; H171-E174 WeakPolarHBondContact O-CB 3.37Å; H171-E174 PolarHBondContact O-N 3.37Å; H171-E174 VanDerWaalsContact O-N 3.13Å; H171-E175 IonicContact CE1-OE1 3.56Å; H171-E175 PolarHBondContact CE1-OE1 2.88Å; H171-E175 IonicContact NE2-OE1 2.65Å; H171-E175 PolarHBondContact O-N 3.39Å |
| 172 | Q | 96.4 | Very high | 96.4 | Very high | 111 Ų | 111 | 99.6 Ų | 99.6 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61 | -36.1 | 177.1 | -76.5 | -179.4 | -10.1 | 0 | 0 | 112.7 | Q168 E175 H176 | Q168-Q172 WeakPolarHBondContact O-CG 3.39Å; Q168-Q172 PolarHBondContact O-N 3.39Å; Q172-E175 PolarHBondContact O-N 3.17Å; Q172-H176 WeakPolarHBondContact O-CB 3.25Å; Q172-H176 PolarHBondContact O-CD2 3.44Å; Q172-H176 VanDerWaalsContact O-CG 3.23Å; Q172-H176 PolarHBondContact O-N 2.89Å |
| 173 | R | 96.9 | Very high | 96.3 | Very high | 167 Ų | 167 | 100.2 Ų | 100.2 | 63% | 0.63 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.3 | -42.7 | 174.5 | -76.2 | 168.6 | 172.4 | -172.3 | -2.6 | 111.7 | L169 E170 H171 S177 | L169-R173 WeakPolarHBondContact O-CD 3.42Å; L169-R173 VanDerWaalsContact O-CG 3.22Å; L169-R173 WeakPolarHBondContact O-CG 3.49Å; L169-R173 PolarHBondContact O-N 2.97Å; E170-R173 WeakPolarHBondContact O-CB 3.45Å; E170-R173 PolarHBondContact O-N 3.39Å; H171-R173 VanDerWaalsContact C-N 3.29Å; H171-R173 PolarHBondContact O-N 3.02Å; R173-S177 WeakPolarHBondContact O-CB 3.48Å; R173-S177 PolarHBondContact O-N 2.91Å |
| 174 | E | 96.8 | Very high | 96.3 | Very high | 100 Ų | 100 | 102.5 Ų | 102.5 | 47% | 0.467 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 175 | -70.6 | -175.6 | -160.2 | 0 | 0 | 112.1 | E170 H171 H176 S177 R178 | E170-E174 PolarHBondContact O-N 2.87Å; E170-E174 VanDerWaalsContact O-N 3.08Å; H171-E174 WeakPolarHBondContact O-CB 3.37Å; H171-E174 PolarHBondContact O-N 3.37Å; H171-E174 VanDerWaalsContact O-N 3.13Å; E174-H176 PolarHBondContact O-N 2.92Å; E174-S177 WeakPolarHBondContact O-CB 3.34Å; E174-S177 PolarHBondContact O-N 2.93Å; E174-R178 WeakPolarHBondContact O-CG 3.32Å; E174-R178 PolarHBondContact O-N 2.99Å; E174-R178 IonicContact OE2-CZ 2.74Å; E174-R178 IonicContact OE2-NH2 3.88Å; E174-R178 PolarHBondContact OE2-NH2 3.47Å |
| 175 | E | 96.9 | Very high | 96.2 | Very high | 85 Ų | 85 | 104.1 Ų | 104.1 | 40% | 0.397 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 177.5 | -70.4 | -167.9 | 137.9 | 0 | 0 | 111.9 | H171 Q172 S177 R178 I179 | H171-E175 IonicContact CE1-OE1 3.56Å; H171-E175 PolarHBondContact CE1-OE1 2.88Å; H171-E175 IonicContact NE2-OE1 2.65Å; H171-E175 PolarHBondContact O-N 3.39Å; Q172-E175 PolarHBondContact O-N 3.17Å; E175-S177 VanDerWaalsContact C-N 3.31Å; E175-S177 PolarHBondContact O-N 2.95Å; E175-R178 PolarHBondContact O-N 3.02Å; E175-I179 VanDerWaalsContact O-CG1 3.31Å; E175-I179 WeakPolarHBondContact O-CG1 3.24Å; E175-I179 PolarHBondContact O-N 3.24Å |
| 176 | H | 95.3 | Very high | 96.2 | Very high | 117 Ų | 117 | 105.9 Ų | 105.9 | 54% | 0.542 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 174.8 | -69.4 | -33.9 | 0 | 0 | 0 | 112.3 | Q172 E174 L180 | Q172-H176 WeakPolarHBondContact O-CB 3.25Å; Q172-H176 PolarHBondContact O-CD2 3.44Å; Q172-H176 VanDerWaalsContact O-CG 3.23Å; Q172-H176 PolarHBondContact O-N 2.89Å; E174-H176 PolarHBondContact O-N 2.92Å; H176-L180 WeakPolarHBondContact O-CB 3.36Å; H176-L180 VanDerWaalsContact O-CG 3.28Å; H176-L180 WeakPolarHBondContact O-CG 3.46Å; H176-L180 PolarHBondContact O-N 2.84Å; H176-L180 VanDerWaalsContact O-N 3.08Å |
| 177 | S | 95.6 | Very high | 96 | Very high | 80 Ų | 80 | 107.3 Ų | 107.3 | 56% | 0.559 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.7 | -40.5 | 174.7 | -167.1 | 0 | 0 | 0 | 0 | 112.4 | R173 E174 E175 E181 | R173-S177 WeakPolarHBondContact O-CB 3.48Å; R173-S177 PolarHBondContact O-N 2.91Å; E174-S177 WeakPolarHBondContact O-CB 3.34Å; E174-S177 PolarHBondContact O-N 2.93Å; E175-S177 VanDerWaalsContact C-N 3.31Å; E175-S177 PolarHBondContact O-N 2.95Å; S177-E181 PolarHBondContact O-N 3.33Å |
| 178 | R | 97.8 | Very high | 95.9 | Very high | 137 Ų | 137 | 109.1 Ų | 109.1 | 52% | 0.517 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66 | -48.1 | 177.1 | -67.7 | 171 | -160.7 | -178.2 | 8.1 | 111.4 | E174 E175 L180 E181 E182 | E174-R178 WeakPolarHBondContact O-CG 3.32Å; E174-R178 PolarHBondContact O-N 2.99Å; E174-R178 IonicContact OE2-CZ 2.74Å; E174-R178 IonicContact OE2-NH2 3.88Å; E174-R178 PolarHBondContact OE2-NH2 3.47Å; E175-R178 PolarHBondContact O-N 3.02Å; R178-L180 VanDerWaalsContact C-N 3.27Å; R178-L180 PolarHBondContact O-N 2.95Å; R178-E181 PolarHBondContact O-N 2.82Å; R178-E181 VanDerWaalsContact O-N 3.16Å; R178-E182 WeakPolarHBondContact O-CB 3.34Å; R178-E182 WeakPolarHBondContact O-CG 3.45Å; R178-E182 PolarHBondContact O-N 3.48Å |
| 179 | I | 97.1 | Very high | 95.8 | Very high | 71 Ų | 71 | 106.9 Ų | 106.9 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.4 | -35.9 | 178.6 | -67.3 | 162.9 | 0 | 0 | 0 | 111.8 | E175 R183 | E175-I179 VanDerWaalsContact O-CG1 3.31Å; E175-I179 WeakPolarHBondContact O-CG1 3.24Å; E175-I179 PolarHBondContact O-N 3.24Å; I179-R183 WeakPolarHBondContact O-CB 3.26Å; I179-R183 WeakPolarHBondContact O-CG 3.49Å; I179-R183 PolarHBondContact O-N 3.47Å |
| 180 | L | 94.6 | Very high | 95.8 | Very high | 118 Ų | 118 | 107 Ų | 107 | 62% | 0.618 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.5 | -43.7 | 176.3 | -75.2 | 170.5 | 0 | 0 | 0 | 112 | H176 R178 R183 R184 | H176-L180 WeakPolarHBondContact O-CB 3.36Å; H176-L180 VanDerWaalsContact O-CG 3.28Å; H176-L180 WeakPolarHBondContact O-CG 3.46Å; H176-L180 PolarHBondContact O-N 2.84Å; H176-L180 VanDerWaalsContact O-N 3.08Å; R178-L180 VanDerWaalsContact C-N 3.27Å; R178-L180 PolarHBondContact O-N 2.95Å; L180-R183 PolarHBondContact O-N 3.03Å; L180-R184 WeakPolarHBondContact O-CB 3.28Å; L180-R184 PolarHBondContact O-N 2.88Å |
| 181 | E | 96.1 | Very high | 95.3 | Very high | 95 Ų | 95 | 106.8 Ų | 106.8 | 44% | 0.444 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.5 | -39.9 | 178.5 | -164.1 | 65.4 | -173.7 | 0 | 0 | 111.9 | S177 R178 R183 R184 V185 | S177-E181 PolarHBondContact O-N 3.33Å; R178-E181 PolarHBondContact O-N 2.82Å; R178-E181 VanDerWaalsContact O-N 3.16Å; E181-R183 PolarHBondContact O-N 3.33Å; E181-R184 WeakPolarHBondContact O-CB 3.36Å; E181-R184 PolarHBondContact O-N 2.85Å; E181-R184 IonicContact OE1-CZ 2.79Å; E181-R184 IonicContact OE1-NH1 3.92Å; E181-R184 PolarHBondContact OE1-NH1 2.68Å; E181-R184 IonicContact OE2-NH1 3.6Å; E181-V185 WeakPolarHBondContact O-CG2 3.48Å; E181-V185 PolarHBondContact O-N 3.37Å |
| 182 | E | 95.8 | Very high | 95.1 | Very high | 121 Ų | 121 | 105 Ų | 105 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -56.7 | -47.2 | 171.7 | -74.5 | 171.2 | -171.5 | 0 | 0 | 111.7 | R178 R184 V185 L186 | R178-E182 WeakPolarHBondContact O-CB 3.34Å; R178-E182 WeakPolarHBondContact O-CG 3.45Å; R178-E182 PolarHBondContact O-N 3.48Å; E182-R184 VanDerWaalsContact C-N 3.33Å; E182-R184 PolarHBondContact O-N 3.1Å; E182-V185 PolarHBondContact O-N 2.92Å; E182-L186 WeakPolarHBondContact O-CG 3.49Å; E182-L186 PolarHBondContact O-N 3.07Å; E182-L186 VanDerWaalsContact O-N 3.09Å |
| 183 | R | 94.4 | Very high | 95.1 | Very high | 154 Ų | 154 | 104.7 Ų | 104.7 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.1 | -41.4 | 176.3 | -77.4 | 174.4 | -179 | -154.4 | 0.4 | 111.8 | I179 L180 E181 L186 H187 | I179-R183 WeakPolarHBondContact O-CB 3.26Å; I179-R183 WeakPolarHBondContact O-CG 3.49Å; I179-R183 PolarHBondContact O-N 3.47Å; L180-R183 PolarHBondContact O-N 3.03Å; E181-R183 PolarHBondContact O-N 3.33Å; R183-L186 PolarHBondContact O-N 3.37Å; R183-H187 PolarHBondContact O-N 2.91Å; R183-H187 VanDerWaalsContact O-N 3.1Å; R183-H187 PolarHBondContact O-ND1 2.93Å |
| 184 | R | 97.1 | Very high | 94.7 | Very high | 130 Ų | 130 | 100.9 Ų | 100.9 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.4 | -51.5 | 178 | 177.9 | -174.3 | 167.7 | -154.6 | -4.9 | 111.1 | L180 E181 E182 L186 H187 E188 | L180-R184 WeakPolarHBondContact O-CB 3.28Å; L180-R184 PolarHBondContact O-N 2.88Å; E181-R184 WeakPolarHBondContact O-CB 3.36Å; E181-R184 PolarHBondContact O-N 2.85Å; E181-R184 IonicContact OE1-CZ 2.79Å; E181-R184 IonicContact OE1-NH1 3.92Å; E181-R184 PolarHBondContact OE1-NH1 2.68Å; E181-R184 IonicContact OE2-NH1 3.6Å; E182-R184 VanDerWaalsContact C-N 3.33Å; E182-R184 PolarHBondContact O-N 3.1Å; R184-L186 VanDerWaalsContact C-N 3.3Å; R184-L186 PolarHBondContact O-N 3.41Å; R184-H187 PolarHBondContact O-N 2.89Å; R184-H187 VanDerWaalsContact O-N 3.12Å; R184-E188 WeakPolarHBondContact CG-OE1 3.29Å; R184-E188 IonicContact CZ-OE1 3.58Å; R184-E188 IonicContact NE-OE1 3.44Å; R184-E188 PolarHBondContact NE-OE1 2.75Å; R184-E188 IonicContact NH2-OE1 2.7Å; R184-E188 PolarHBondContact NH2-OE1 3.5Å; R184-E188 WeakPolarHBondContact O-CG 3.42Å; R184-E188 PolarHBondContact O-N 3.48Å |
| 185 | V | 95.3 | Very high | 94.3 | Very high | 80 Ų | 80 | 100.7 Ų | 100.7 | 49% | 0.485 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.9 | -40.1 | 178.7 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | E181 E182 H187 E188 A189 | E181-V185 WeakPolarHBondContact O-CG2 3.48Å; E181-V185 PolarHBondContact O-N 3.37Å; E182-V185 PolarHBondContact O-N 2.92Å; V185-H187 PolarHBondContact O-N 3.43Å; V185-E188 PolarHBondContact O-N 2.76Å; V185-A189 WeakPolarHBondContact O-CB 3.48Å; V185-A189 PolarHBondContact O-N 3.17Å |
| 186 | L | 96.6 | Very high | 94 | Very high | 124 Ų | 124 | 102.5 Ų | 102.5 | 65% | 0.649 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.3 | -38.2 | 176.2 | -71.4 | 172.6 | 0 | 0 | 0 | 113.2 | E182 R183 R184 E190 | E182-L186 WeakPolarHBondContact O-CG 3.49Å; E182-L186 PolarHBondContact O-N 3.07Å; E182-L186 VanDerWaalsContact O-N 3.09Å; R183-L186 PolarHBondContact O-N 3.37Å; R184-L186 VanDerWaalsContact C-N 3.3Å; R184-L186 PolarHBondContact O-N 3.41Å; L186-E190 PolarHBondContact O-N 3.19Å; L186-E190 VanDerWaalsContact O-N 3.17Å |
| 187 | H | 92.1 | Very high | 93.7 | Very high | 134 Ų | 134 | 100.9 Ų | 100.9 | 62% | 0.62 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.6 | -41.6 | 176 | -73.2 | 74.1 | 0 | 0 | 0 | 111.6 | R183 R184 V185 A189 E190 V191 | R183-H187 PolarHBondContact O-N 2.91Å; R183-H187 VanDerWaalsContact O-N 3.1Å; R183-H187 PolarHBondContact O-ND1 2.93Å; R184-H187 PolarHBondContact O-N 2.89Å; R184-H187 VanDerWaalsContact O-N 3.12Å; V185-H187 PolarHBondContact O-N 3.43Å; H187-A189 VanDerWaalsContact C-N 3.28Å; H187-A189 PolarHBondContact O-N 3.45Å; H187-E190 PolarHBondContact O-N 2.87Å; H187-V191 WeakPolarHBondContact O-CG2 3.4Å; H187-V191 PolarHBondContact O-N 3.4Å; H187-V191 VanDerWaalsContact O-N 3.11Å |
| 188 | E | 94 | Very high | 93.3 | Very high | 101 Ų | 101 | 103.4 Ų | 103.4 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.8 | -39.1 | 176 | -70.6 | 175 | -176.9 | 0 | 0 | 111.2 | R184 V185 A192 | R184-E188 WeakPolarHBondContact CG-OE1 3.29Å; R184-E188 IonicContact CZ-OE1 3.58Å; R184-E188 IonicContact NE-OE1 3.44Å; R184-E188 PolarHBondContact NE-OE1 2.75Å; R184-E188 IonicContact NH2-OE1 2.7Å; R184-E188 PolarHBondContact NH2-OE1 3.5Å; R184-E188 WeakPolarHBondContact O-CG 3.42Å; R184-E188 PolarHBondContact O-N 3.48Å; V185-E188 PolarHBondContact O-N 2.76Å; E188-A192 PolarHBondContact O-N 3.17Å |
| 189 | A | 93.6 | Very high | 92.6 | Very high | 60 Ų | 60 | 102.2 Ų | 102.2 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | V185 H187 A192 R193 | V185-A189 WeakPolarHBondContact O-CB 3.48Å; V185-A189 PolarHBondContact O-N 3.17Å; H187-A189 VanDerWaalsContact C-N 3.28Å; H187-A189 PolarHBondContact O-N 3.45Å; A189-A192 PolarHBondContact O-N 2.93Å; A189-R193 PolarHBondContact O-N 3.45Å; A189-R193 VanDerWaalsContact O-N 3.14Å |
| 190 | E | 94.2 | Very high | 92 | Very high | 81 Ų | 81 | 103 Ų | 103 | 38% | 0.379 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.8 | -36.7 | 179.7 | 177.7 | 59.6 | -170.3 | 0 | 0 | 112.3 | L186 H187 R193 L194 | L186-E190 PolarHBondContact O-N 3.19Å; L186-E190 VanDerWaalsContact O-N 3.17Å; H187-E190 PolarHBondContact O-N 2.87Å; E190-R193 WeakPolarHBondContact O-CB 3.43Å; E190-R193 PolarHBondContact O-N 3.49Å; E190-R193 IonicContact OE1-CZ 3.81Å; E190-R193 IonicContact OE1-NE 3.52Å; E190-R193 PolarHBondContact OE1-NE 3.01Å; E190-R193 IonicContact OE1-NH2 3.46Å; E190-R193 PolarHBondContact OE1-NH2 3.29Å; E190-R193 IonicContact OE2-CZ 3.35Å; E190-R193 IonicContact OE2-NE 3.49Å; E190-R193 PolarHBondContact OE2-NE 3.16Å; E190-R193 IonicContact OE2-NH2 2.77Å; E190-L194 HydrophobicContact CG-CD1 4.19Å; E190-L194 WeakPolarHBondContact O-CG 3.4Å; E190-L194 PolarHBondContact O-N 3.23Å; E190-L194 VanDerWaalsContact O-N 3.08Å |
| 191 | V | 88.3 | Confident | 91.2 | Very high | 82 Ų | 82 | 102.1 Ų | 102.1 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.3 | -49.4 | 173.3 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | H187 R193 L194 E195 | H187-V191 WeakPolarHBondContact O-CG2 3.4Å; H187-V191 PolarHBondContact O-N 3.4Å; H187-V191 VanDerWaalsContact O-N 3.11Å; V191-R193 PolarHBondContact O-N 3Å; V191-L194 PolarHBondContact O-N 2.89Å; V191-E195 WeakPolarHBondContact O-CG 3.28Å; V191-E195 PolarHBondContact O-N 2.88Å |
| 192 | A | 92.9 | Very high | 90 | Very high | 58 Ų | 58 | 101.9 Ų | 101.9 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -32.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E188 A189 | E188-A192 PolarHBondContact O-N 3.17Å; A189-A192 PolarHBondContact O-N 2.93Å |
| 193 | R | 96.4 | Very high | 88.7 | Confident | 104 Ų | 104 | 99 Ų | 99 | 39% | 0.392 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.5 | -48.1 | 174.7 | -167.5 | -172.9 | 70.8 | 71.6 | 13.4 | 111.6 | A189 E190 V191 K196 E197 | A189-R193 PolarHBondContact O-N 3.45Å; A189-R193 VanDerWaalsContact O-N 3.14Å; E190-R193 WeakPolarHBondContact O-CB 3.43Å; E190-R193 PolarHBondContact O-N 3.49Å; E190-R193 IonicContact OE1-CZ 3.81Å; E190-R193 IonicContact OE1-NE 3.52Å; E190-R193 PolarHBondContact OE1-NE 3.01Å; E190-R193 IonicContact OE1-NH2 3.46Å; E190-R193 PolarHBondContact OE1-NH2 3.29Å; E190-R193 IonicContact OE2-CZ 3.35Å; E190-R193 IonicContact OE2-NE 3.49Å; E190-R193 PolarHBondContact OE2-NE 3.16Å; E190-R193 IonicContact OE2-NH2 2.77Å; V191-R193 PolarHBondContact O-N 3Å; R193-K196 WeakPolarHBondContact O-CB 3.49Å; R193-K196 PolarHBondContact O-N 2.97Å; R193-E197 IonicContact CZ-OE1 3.59Å; R193-E197 IonicContact CZ-OE2 2.75Å; R193-E197 IonicContact NH1-OE1 2.69Å; R193-E197 PolarHBondContact NH1-OE1 3.47Å; R193-E197 IonicContact NH1-OE2 3.95Å; R193-E197 PolarHBondContact NH1-OE2 3.17Å; R193-E197 IonicContact NH2-OE2 2.73Å; R193-E197 PolarHBondContact O-N 2.81Å |
| 194 | L | 88.6 | Confident | 87.5 | Confident | 87 Ų | 87 | 97.4 Ų | 97.4 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.5 | -35.4 | -177.5 | -70.4 | 169 | 0 | 0 | 0 | 113 | E190 V191 K196 E197 R198 | E190-L194 HydrophobicContact CG-CD1 4.19Å; E190-L194 WeakPolarHBondContact O-CG 3.4Å; E190-L194 PolarHBondContact O-N 3.23Å; E190-L194 VanDerWaalsContact O-N 3.08Å; V191-L194 PolarHBondContact O-N 2.89Å; L194-K196 VanDerWaalsContact C-N 3.29Å; L194-K196 PolarHBondContact O-N 2.96Å; L194-E197 PolarHBondContact O-N 3.4Å; L194-R198 PolarHBondContact O-N 3.45Å; L194-R198 VanDerWaalsContact O-N 3.15Å |
| 195 | E | 87.9 | Confident | 85.4 | Confident | 95 Ų | 95 | 101 Ų | 101 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 174.8 | -71.9 | -177.2 | 139.8 | 0 | 0 | 112.2 | V191 R198 E199 | V191-E195 WeakPolarHBondContact O-CG 3.28Å; V191-E195 PolarHBondContact O-N 2.88Å; E195-R198 PolarHBondContact O-NE 2.84Å; E195-E199 PolarHBondContact O-N 3.18Å |
| 196 | K | 90.7 | Very high | 83.3 | Confident | 124 Ų | 124 | 104.6 Ų | 104.6 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.6 | -44.4 | 176.1 | -167.3 | -174.1 | -179.1 | -110.6 | 0 | 112.5 | R193 L194 R198 E199 E200 | R193-K196 WeakPolarHBondContact O-CB 3.49Å; R193-K196 PolarHBondContact O-N 2.97Å; L194-K196 VanDerWaalsContact C-N 3.29Å; L194-K196 PolarHBondContact O-N 2.96Å; K196-R198 VanDerWaalsContact C-N 3.29Å; K196-R198 PolarHBondContact O-N 3.45Å; K196-E199 PolarHBondContact O-N 3.32Å; K196-E199 VanDerWaalsContact O-N 3.09Å; K196-E200 VanDerWaalsContact CE-OE1 3.3Å; K196-E200 WeakPolarHBondContact CE-OE1 3.25Å; K196-E200 IonicContact NZ-OE1 3.08Å; K196-E200 PolarHBondContact NZ-OE1 2.8Å; K196-E200 PolarHBondContact O-N 3.05Å; K196-E200 VanDerWaalsContact O-N 3.11Å |
| 197 | E | 88.6 | Confident | 80.9 | Confident | 82 Ų | 82 | 105.7 Ų | 105.7 | 38% | 0.383 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.7 | -36 | 179.7 | -70.4 | -174.5 | 150.2 | 0 | 0 | 112.4 | R193 L194 E199 E200 L201 | R193-E197 IonicContact CZ-OE1 3.59Å; R193-E197 IonicContact CZ-OE2 2.75Å; R193-E197 IonicContact NH1-OE1 2.69Å; R193-E197 PolarHBondContact NH1-OE1 3.47Å; R193-E197 IonicContact NH1-OE2 3.95Å; R193-E197 PolarHBondContact NH1-OE2 3.17Å; R193-E197 IonicContact NH2-OE2 2.73Å; R193-E197 PolarHBondContact O-N 2.81Å; L194-E197 PolarHBondContact O-N 3.4Å; E197-E199 VanDerWaalsContact C-N 3.33Å; E197-E199 PolarHBondContact O-N 3.36Å; E197-E200 PolarHBondContact O-N 2.99Å; E197-L201 WeakPolarHBondContact O-CG 3.42Å; E197-L201 PolarHBondContact O-N 3.47Å; E197-L201 VanDerWaalsContact O-N 3.09Å |
| 198 | R | 86.4 | Confident | 79 | Confident | 133 Ų | 133 | 104.1 Ų | 104.1 | 50% | 0.502 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -56.8 | -45 | 171.3 | 171.9 | -158.5 | 66.9 | -162.8 | -2.3 | 111.9 | L194 E195 K196 L201 V202 | L194-R198 PolarHBondContact O-N 3.45Å; L194-R198 VanDerWaalsContact O-N 3.15Å; E195-R198 PolarHBondContact O-NE 2.84Å; K196-R198 VanDerWaalsContact C-N 3.29Å; K196-R198 PolarHBondContact O-N 3.45Å; R198-L201 PolarHBondContact O-N 2.92Å; R198-V202 WeakPolarHBondContact O-CG2 3.42Å; R198-V202 PolarHBondContact O-N 2.89Å |
| 199 | E | 84.5 | Confident | 76.3 | Confident | 113 Ų | 113 | 108.9 Ų | 108.9 | 53% | 0.528 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.8 | -40.6 | -177.7 | -71.5 | 165.3 | -163.6 | 0 | 0 | 111.7 | E195 K196 E197 L201 V202 A203 | E195-E199 PolarHBondContact O-N 3.18Å; K196-E199 PolarHBondContact O-N 3.32Å; K196-E199 VanDerWaalsContact O-N 3.09Å; E197-E199 VanDerWaalsContact C-N 3.33Å; E197-E199 PolarHBondContact O-N 3.36Å; E199-L201 VanDerWaalsContact C-N 3.33Å; E199-L201 PolarHBondContact O-N 3.3Å; E199-V202 PolarHBondContact O-N 2.83Å; E199-A203 PolarHBondContact O-N 3.33Å |
| 200 | E | 83.4 | Confident | 74.1 | Confident | 88 Ų | 88 | 110.6 Ų | 110.6 | 41% | 0.411 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.1 | -37.2 | 175.8 | -67.9 | 178.6 | -172.7 | 0 | 0 | 112.3 | K196 E197 Q204 | K196-E200 VanDerWaalsContact CE-OE1 3.3Å; K196-E200 WeakPolarHBondContact CE-OE1 3.25Å; K196-E200 IonicContact NZ-OE1 3.08Å; K196-E200 PolarHBondContact NZ-OE1 2.8Å; K196-E200 PolarHBondContact O-N 3.05Å; K196-E200 VanDerWaalsContact O-N 3.11Å; E197-E200 PolarHBondContact O-N 2.99Å; E200-Q204 WeakPolarHBondContact O-CG 3.44Å; E200-Q204 PolarHBondContact O-NE2 2.84Å |
| 201 | L | 77.5 | Confident | 72.3 | Confident | 98 Ų | 98 | 112.7 Ų | 112.7 | 51% | 0.513 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69.8 | -34.7 | 177 | -74.6 | 170 | 0 | 0 | 0 | 113.4 | E197 R198 E199 A203 Q204 | E197-L201 WeakPolarHBondContact O-CG 3.42Å; E197-L201 PolarHBondContact O-N 3.47Å; E197-L201 VanDerWaalsContact O-N 3.09Å; R198-L201 PolarHBondContact O-N 2.92Å; E199-L201 VanDerWaalsContact C-N 3.33Å; E199-L201 PolarHBondContact O-N 3.3Å; L201-A203 VanDerWaalsContact C-N 3.3Å; L201-A203 PolarHBondContact O-N 2.84Å; L201-Q204 PolarHBondContact O-N 3.14Å |
| 202 | V | 71.9 | Confident | 70.6 | Confident | 91 Ų | 91 | 112.3 Ų | 112.3 | 55% | 0.552 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.7 | -33.7 | 178.2 | 169.1 | 0 | 0 | 0 | 0 | 111.8 | R198 E199 | R198-V202 WeakPolarHBondContact O-CG2 3.42Å; R198-V202 PolarHBondContact O-N 2.89Å; E199-V202 PolarHBondContact O-N 2.83Å |
| 203 | A | 67.4 | Low | 68.7 | Low | 59 Ų | 59 | 114.7 Ų | 114.7 | 49% | 0.488 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67 | -43.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E199 L201 Y205 Q206 | E199-A203 PolarHBondContact O-N 3.33Å; L201-A203 VanDerWaalsContact C-N 3.3Å; L201-A203 PolarHBondContact O-N 2.84Å; A203-Y205 VanDerWaalsContact C-N 3.27Å; A203-Y205 PolarHBondContact O-N 3.15Å; A203-Q206 PolarHBondContact O-N 3.08Å |
| 204 | Q | 70.8 | Confident | 66.7 | Low | 122 Ų | 122 | 112.8 Ų | 112.8 | 57% | 0.57 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.2 | -25 | -173.2 | -68.7 | 172.8 | 31.3 | 0 | 0 | 114.1 | E200 L201 Q206 | E200-Q204 WeakPolarHBondContact O-CG 3.44Å; E200-Q204 PolarHBondContact O-NE2 2.84Å; L201-Q204 PolarHBondContact O-N 3.14Å; Q204-Q206 VanDerWaalsContact C-N 3.26Å; Q204-Q206 PolarHBondContact O-N 3.47Å |
| 205 | Y | 51.9 | Low | 65.3 | Low | 206 Ų | 206 | 114.5 Ų | 114.5 | 81% | 0.808 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -11.8 | -179.5 | -98.3 | -82.9 | 0 | 0 | 0 | 114.7 | A203 | A203-Y205 VanDerWaalsContact C-N 3.27Å; A203-Y205 PolarHBondContact O-N 3.15Å |
| 206 | Q | 52.2 | Low | 64 | Low | 154 Ų | 154 | 116 Ų | 116 | 72% | 0.72 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -19.9 | -171.6 | -59.5 | -175.5 | 11.8 | 0 | 0 | 114.3 | A203 Q204 | A203-Q206 PolarHBondContact O-N 3.08Å; Q204-Q206 VanDerWaalsContact C-N 3.26Å; Q204-Q206 PolarHBondContact O-N 3.47Å |
| 207 | D | 46.1 | Very low | 62.6 | Low | 147 Ų | 147 | 114.7 Ų | 114.7 | 79% | 0.786 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -100.6 | 0.3 | -162.4 | -71.3 | -29.8 | 0 | 0 | 0 | 116.4 | ||
| 208 | S | 50.8 | Low | 61.6 | Low | 102 Ų | 102 | 116.2 Ų | 116.2 | 71% | 0.713 | 61% | 0.611 | S | S | * | * | trans | -105.8 | 1.3 | -151.4 | -68.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 209 | E | 39.1 | Very low | 60.8 | Low | 200 Ų | 200 | 111.3 Ų | 111.3 | 94% | 0.935 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -95.9 | -12.5 | -157 | -137.1 | 178.9 | -164.8 | 0 | 0 | 119.3 | ||
| 210 | A | 47 | Very low | 60.4 | Low | 97 Ų | 97 | 110.4 Ų | 110.4 | 80% | 0.802 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -113.4 | -18 | -153.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||
| 211 | L | 55.4 | Low | 60.1 | Low | 125 Ų | 125 | 111.4 Ų | 111.4 | 65% | 0.654 | 61% | 0.606 | S | S | * | * | trans | -129.3 | 3.6 | -148.3 | -105.3 | 170.2 | 0 | 0 | 0 | 119.6 | ||||
| 212 | C | 53.2 | Low | 60.4 | Low | 74 Ų | 74 | 113.4 Ų | 113.4 | 50% | 0.5 | 61% | 0.606 | S | S | . | * | trans | -101.3 | -21.7 | -146.3 | -68.9 | 0 | 0 | 0 | 0 | 118.9 | G214 K215 R216 | C212-G214 PolarHBondContact O-N 2.81Å; C212-K215 CarbonylContact O-C 3.56Å; C212-K215 VanDerWaalsContact O-C 3.24Å; C212-K215 VanDerWaalsContact O-CA 3.3Å; C212-K215 WeakPolarHBondContact O-CA 3.46Å; C212-K215 WeakPolarHBondContact O-CB 3.38Å; C212-K215 PolarHBondContact O-N 2.92Å; C212-R216 WeakPolarHBondContact O-CB 3.47Å; C212-R216 PolarHBondContact O-N 3.07Å | ||
| 213 | D | 52.5 | Low | 61 | Low | 107 Ų | 107 | 112.7 Ų | 112.7 | 57% | 0.572 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -59.7 | -30.5 | -161.9 | -99.3 | 48 | 0 | 0 | 0 | 117.8 | R216 | D213-R216 VanDerWaalsContact CG-CZ 3.44Å; D213-R216 WeakPolarHBondContact O-CB 3.29Å; D213-R216 IonicContact OD1-CZ 2.7Å; D213-R216 IonicContact OD1-NH1 2.67Å; D213-R216 PolarHBondContact OD1-NH1 3.02Å; D213-R216 IonicContact OD1-NH2 3.06Å; D213-R216 IonicContact OD2-CZ 2.72Å; D213-R216 IonicContact OD2-NH1 2.64Å; D213-R216 PolarHBondContact OD2-NH1 3.2Å; D213-R216 IonicContact OD2-NH2 3.4Å; D213-R216 PolarHBondContact OD2-NH2 2.83Å |
| 214 | G | 54.8 | Low | 61.6 | Low | 64 Ų | 64 | 115.2 Ų | 115.2 | 66% | 0.66 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -81.1 | -41.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | C212 R216 V217 | C212-G214 PolarHBondContact O-N 2.81Å; G214-R216 PolarHBondContact O-N 3.5Å; G214-R216 VanDerWaalsContact O-N 3.12Å; G214-V217 PolarHBondContact O-N 3.03Å |
| 215 | K | 58.7 | Low | 62.3 | Low | 124 Ų | 124 | 112.1 Ų | 112.1 | 54% | 0.539 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -58.7 | -19.1 | 166.9 | -62.9 | 176.7 | 178.1 | 175.8 | 0 | 111.5 | C212 E218 A219 | C212-K215 CarbonylContact O-C 3.56Å; C212-K215 VanDerWaalsContact O-C 3.24Å; C212-K215 VanDerWaalsContact O-CA 3.3Å; C212-K215 WeakPolarHBondContact O-CA 3.46Å; C212-K215 WeakPolarHBondContact O-CB 3.38Å; C212-K215 PolarHBondContact O-N 2.92Å; K215-E218 CarbonylContact O-C 3.58Å; K215-E218 PolarHBondContact O-N 2.92Å; K215-A219 WeakPolarHBondContact O-CA 3.47Å; K215-A219 WeakPolarHBondContact O-CB 3.43Å; K215-A219 PolarHBondContact O-N 3.35Å |
| 216 | R | 62.1 | Low | 64.1 | Low | 127 Ų | 127 | 107.9 Ų | 107.9 | 48% | 0.479 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -72.4 | -35.2 | -177 | -170.8 | 169 | 76 | -153.3 | -5.4 | 111.6 | C212 D213 G214 L220 | C212-R216 WeakPolarHBondContact O-CB 3.47Å; C212-R216 PolarHBondContact O-N 3.07Å; D213-R216 VanDerWaalsContact CG-CZ 3.44Å; D213-R216 WeakPolarHBondContact O-CB 3.29Å; D213-R216 IonicContact OD1-CZ 2.7Å; D213-R216 IonicContact OD1-NH1 2.67Å; D213-R216 PolarHBondContact OD1-NH1 3.02Å; D213-R216 IonicContact OD1-NH2 3.06Å; D213-R216 IonicContact OD2-CZ 2.72Å; D213-R216 IonicContact OD2-NH1 2.64Å; D213-R216 PolarHBondContact OD2-NH1 3.2Å; D213-R216 IonicContact OD2-NH2 3.4Å; D213-R216 PolarHBondContact OD2-NH2 2.83Å; G214-R216 PolarHBondContact O-N 3.5Å; G214-R216 VanDerWaalsContact O-N 3.12Å; R216-L220 HydrophobicContact CG-CD1 4.07Å; R216-L220 HydrophobicContact CG-CG 4.4Å; R216-L220 WeakPolarHBondContact O-CB 3.26Å; R216-L220 VanDerWaalsContact O-CD1 3.3Å; R216-L220 WeakPolarHBondContact O-CD1 3.48Å; R216-L220 WeakPolarHBondContact O-CG 3.47Å; R216-L220 PolarHBondContact O-N 3.04Å |
| 217 | V | 59.8 | Low | 65.8 | Low | 96 Ų | 96 | 105.9 Ų | 105.9 | 58% | 0.582 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -73.6 | -40 | 174.7 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | G214 L220 L221 | G214-V217 PolarHBondContact O-N 3.03Å; V217-L220 PolarHBondContact O-N 3.48Å; V217-L221 PolarHBondContact O-N 3.18Å |
| 218 | E | 67.1 | Low | 67.8 | Low | 113 Ų | 113 | 106.7 Ų | 106.7 | 53% | 0.528 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -72.1 | -28.7 | 175.8 | -107.5 | -162.7 | -120.9 | 0 | 0 | 113.5 | K215 R222 | K215-E218 CarbonylContact O-C 3.58Å; K215-E218 PolarHBondContact O-N 2.92Å; E218-R222 WeakPolarHBondContact O-CG 3.4Å; E218-R222 PolarHBondContact O-N 3.08Å; E218-R222 PolarHBondContact O-NH1 3.49Å; E218-R222 IonicContact OE2-CZ 3.24Å; E218-R222 VanDerWaalsContact OE2-CZ 3.24Å; E218-R222 IonicContact OE2-NH1 2.72Å; E218-R222 PolarHBondContact OE2-NH1 2.93Å; E218-R222 IonicContact OE2-NH2 2.8Å; E218-R222 PolarHBondContact OE2-NH2 2.94Å |
| 219 | A | 71.3 | Confident | 69.7 | Low | 30 Ų | 30 | 108.9 Ų | 108.9 | 25% | 0.248 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -72.5 | -54.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | K215 L221 R222 E223 | K215-A219 WeakPolarHBondContact O-CA 3.47Å; K215-A219 WeakPolarHBondContact O-CB 3.43Å; K215-A219 PolarHBondContact O-N 3.35Å; A219-L221 CarbonylContact O-C 3.58Å; A219-L221 PolarHBondContact O-N 2.87Å; A219-R222 CarbonylContact O-C 3.55Å; A219-R222 WeakPolarHBondContact O-CA 3.49Å; A219-R222 PolarHBondContact O-N 3.03Å; A219-E223 WeakPolarHBondContact CB-OE1 3.48Å; A219-E223 WeakPolarHBondContact O-CA 3.42Å; A219-E223 WeakPolarHBondContact O-CB 3.28Å; A219-E223 VanDerWaalsContact O-CG 3.24Å; A219-E223 WeakPolarHBondContact O-CG 3.3Å; A219-E223 PolarHBondContact O-N 3.41Å |
| 220 | L | 76.4 | Confident | 72.3 | Confident | 94 Ų | 94 | 108.1 Ų | 108.1 | 49% | 0.492 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -50.2 | -31.2 | 175.6 | -78 | 164.5 | 0 | 0 | 0 | 113.7 | R216 V217 K224 | R216-L220 HydrophobicContact CG-CD1 4.07Å; R216-L220 HydrophobicContact CG-CG 4.4Å; R216-L220 WeakPolarHBondContact O-CB 3.26Å; R216-L220 VanDerWaalsContact O-CD1 3.3Å; R216-L220 WeakPolarHBondContact O-CD1 3.48Å; R216-L220 WeakPolarHBondContact O-CG 3.47Å; R216-L220 PolarHBondContact O-N 3.04Å; V217-L220 PolarHBondContact O-N 3.48Å; L220-K224 WeakPolarHBondContact O-CB 3.48Å; L220-K224 PolarHBondContact O-N 3.42Å |
| 221 | L | 77.1 | Confident | 74.3 | Confident | 110 Ų | 110 | 108.1 Ų | 108.1 | 58% | 0.576 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -78.8 | -40.4 | 171.8 | -72.7 | 176.2 | 0 | 0 | 0 | 114.1 | V217 A219 K224 A225 | V217-L221 PolarHBondContact O-N 3.18Å; A219-L221 CarbonylContact O-C 3.58Å; A219-L221 PolarHBondContact O-N 2.87Å; L221-K224 PolarHBondContact O-N 3.3Å; L221-A225 PolarHBondContact O-N 2.93Å; L221-A225 VanDerWaalsContact O-N 3.13Å |
| 222 | R | 82.9 | Confident | 76.1 | Confident | 139 Ų | 139 | 109.2 Ų | 109.2 | 53% | 0.525 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.5 | -46.5 | 172.4 | -72.4 | -179.3 | -173.4 | 85.6 | -8.6 | 111.2 | E218 A219 K224 A225 Q226 | E218-R222 WeakPolarHBondContact O-CG 3.4Å; E218-R222 PolarHBondContact O-N 3.08Å; E218-R222 PolarHBondContact O-NH1 3.49Å; E218-R222 IonicContact OE2-CZ 3.24Å; E218-R222 VanDerWaalsContact OE2-CZ 3.24Å; E218-R222 IonicContact OE2-NH1 2.72Å; E218-R222 PolarHBondContact OE2-NH1 2.93Å; E218-R222 IonicContact OE2-NH2 2.8Å; E218-R222 PolarHBondContact OE2-NH2 2.94Å; A219-R222 CarbonylContact O-C 3.55Å; A219-R222 WeakPolarHBondContact O-CA 3.49Å; A219-R222 PolarHBondContact O-N 3.03Å; R222-K224 PolarHBondContact O-N 3.42Å; R222-A225 CarbonylContact O-C 3.57Å; R222-A225 WeakPolarHBondContact O-CA 3.23Å; R222-A225 WeakPolarHBondContact O-CB 3.36Å; R222-A225 PolarHBondContact O-N 3.33Å; R222-Q226 WeakPolarHBondContact O-CB 3.45Å; R222-Q226 VanDerWaalsContact O-CG 3.28Å; R222-Q226 WeakPolarHBondContact O-CG 3.16Å; R222-Q226 PolarHBondContact O-N 3.45Å |
| 223 | E | 84.8 | Confident | 78 | Confident | 77 Ų | 77 | 107 Ų | 107 | 36% | 0.36 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -50.8 | -48.1 | 165.4 | -70.2 | 167 | -157.1 | 0 | 0 | 110.9 | A219 A225 Q226 L227 | A219-E223 WeakPolarHBondContact CB-OE1 3.48Å; A219-E223 WeakPolarHBondContact O-CA 3.42Å; A219-E223 WeakPolarHBondContact O-CB 3.28Å; A219-E223 VanDerWaalsContact O-CG 3.24Å; A219-E223 WeakPolarHBondContact O-CG 3.3Å; A219-E223 PolarHBondContact O-N 3.41Å; E223-A225 PolarHBondContact O-N 2.89Å; E223-Q226 CarbonylContact O-C 3.57Å; E223-Q226 PolarHBondContact O-N 2.94Å; E223-L227 WeakPolarHBondContact O-CA 3.39Å; E223-L227 WeakPolarHBondContact O-CB 3.31Å; E223-L227 WeakPolarHBondContact O-CG 3.42Å; E223-L227 PolarHBondContact O-N 2.89Å |
| 224 | K | 79 | Confident | 79.8 | Confident | 111 Ų | 111 | 106 Ų | 106 | 48% | 0.483 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60 | -33.9 | 175.8 | 179.6 | 178.2 | -179.1 | 178 | 0 | 112.9 | L220 L221 R222 R228 | L220-K224 WeakPolarHBondContact O-CB 3.48Å; L220-K224 PolarHBondContact O-N 3.42Å; L221-K224 PolarHBondContact O-N 3.3Å; R222-K224 PolarHBondContact O-N 3.42Å; K224-R228 WeakPolarHBondContact O-CD 3.47Å; K224-R228 VanDerWaalsContact O-CG 3.28Å; K224-R228 WeakPolarHBondContact O-CG 3.41Å; K224-R228 PolarHBondContact O-N 3.32Å |
| 225 | A | 86.4 | Confident | 81.7 | Confident | 58 Ų | 58 | 108.4 Ų | 108.4 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -75.2 | -44.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L221 R222 E223 R228 Q229 | L221-A225 PolarHBondContact O-N 2.93Å; L221-A225 VanDerWaalsContact O-N 3.13Å; R222-A225 CarbonylContact O-C 3.57Å; R222-A225 WeakPolarHBondContact O-CA 3.23Å; R222-A225 WeakPolarHBondContact O-CB 3.36Å; R222-A225 PolarHBondContact O-N 3.33Å; E223-A225 PolarHBondContact O-N 2.89Å; A225-R228 WeakPolarHBondContact O-CB 3.37Å; A225-R228 PolarHBondContact O-N 3.48Å; A225-Q229 PolarHBondContact O-N 2.91Å |
| 226 | Q | 89.1 | Confident | 83.3 | Confident | 117 Ų | 117 | 104.9 Ų | 104.9 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -39.8 | 175.6 | -71.4 | 166.1 | -15.1 | 0 | 0 | 111.7 | R222 E223 Q229 R230 | R222-Q226 WeakPolarHBondContact O-CB 3.45Å; R222-Q226 VanDerWaalsContact O-CG 3.28Å; R222-Q226 WeakPolarHBondContact O-CG 3.16Å; R222-Q226 PolarHBondContact O-N 3.45Å; E223-Q226 CarbonylContact O-C 3.57Å; E223-Q226 PolarHBondContact O-N 2.94Å; Q226-Q229 CarbonylContact O-C 3.58Å; Q226-Q229 PolarHBondContact O-N 3.29Å; Q226-R230 WeakPolarHBondContact O-CB 3.06Å; Q226-R230 PolarHBondContact O-N 2.87Å |
| 227 | L | 89.3 | Confident | 84.8 | Confident | 111 Ų | 111 | 103.8 Ų | 103.8 | 58% | 0.581 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.7 | -38.4 | 173.3 | -74.1 | 169.6 | 0 | 0 | 0 | 110.8 | E223 R230 L231 | E223-L227 WeakPolarHBondContact O-CA 3.39Å; E223-L227 WeakPolarHBondContact O-CB 3.31Å; E223-L227 WeakPolarHBondContact O-CG 3.42Å; E223-L227 PolarHBondContact O-N 2.89Å; L227-R230 PolarHBondContact O-N 3.34Å; L227-L231 WeakPolarHBondContact O-CB 3.48Å; L227-L231 PolarHBondContact O-N 3.38Å |
| 228 | R | 87.4 | Confident | 86.4 | Confident | 165 Ų | 165 | 101.9 Ų | 101.9 | 62% | 0.623 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.6 | -39.4 | 171.6 | -79.5 | 169.6 | 168.8 | -177.8 | -6.9 | 112.3 | K224 A225 K232 | K224-R228 WeakPolarHBondContact O-CD 3.47Å; K224-R228 VanDerWaalsContact O-CG 3.28Å; K224-R228 WeakPolarHBondContact O-CG 3.41Å; K224-R228 PolarHBondContact O-N 3.32Å; A225-R228 WeakPolarHBondContact O-CB 3.37Å; A225-R228 PolarHBondContact O-N 3.48Å; R228-K232 WeakPolarHBondContact O-CG 3.44Å; R228-K232 PolarHBondContact O-N 2.86Å; R228-K232 VanDerWaalsContact O-N 3.08Å |
| 229 | Q | 90.6 | Very high | 87.7 | Confident | 148 Ų | 148 | 99 Ų | 99 | 69% | 0.692 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69 | -40.7 | 175.1 | -175.2 | 173.8 | -1.4 | 0 | 0 | 111.6 | A225 Q226 K232 G233 | A225-Q229 PolarHBondContact O-N 2.91Å; Q226-Q229 CarbonylContact O-C 3.58Å; Q226-Q229 PolarHBondContact O-N 3.29Å; Q229-K232 WeakPolarHBondContact O-CB 3.42Å; Q229-K232 PolarHBondContact O-N 2.79Å; Q229-G233 PolarHBondContact O-N 3.32Å |
| 230 | R | 92.8 | Very high | 88.8 | Confident | 184 Ų | 184 | 103.3 Ų | 103.3 | 69% | 0.694 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.3 | -34.2 | 175.7 | -167.6 | 167.5 | -171.5 | 157.8 | 2.5 | 111.7 | Q226 L227 G233 L234 | Q226-R230 WeakPolarHBondContact O-CB 3.06Å; Q226-R230 PolarHBondContact O-N 2.87Å; L227-R230 PolarHBondContact O-N 3.34Å; R230-G233 PolarHBondContact O-N 2.91Å; R230-L234 HydrophobicContact CG-CD1 4.38Å; R230-L234 WeakPolarHBondContact O-CB 3.32Å; R230-L234 WeakPolarHBondContact O-CG 3.4Å; R230-L234 PolarHBondContact O-N 3.44Å |
| 231 | L | 90.2 | Very high | 89.6 | Confident | 97 Ų | 97 | 103.8 Ų | 103.8 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.2 | -38.4 | 173.5 | -164.8 | 151.6 | 0 | 0 | 0 | 110.8 | L227 L234 E235 | L227-L231 WeakPolarHBondContact O-CB 3.48Å; L227-L231 PolarHBondContact O-N 3.38Å; L231-L234 PolarHBondContact O-N 3.16Å; L231-E235 HydrophobicContact CD2-CG 4.17Å; L231-E235 VanDerWaalsContact CD2-OE1 3.32Å; L231-E235 WeakPolarHBondContact CD2-OE1 3.33Å; L231-E235 WeakPolarHBondContact O-CB 3.29Å; L231-E235 VanDerWaalsContact O-CG 3.26Å; L231-E235 WeakPolarHBondContact O-CG 3.47Å; L231-E235 PolarHBondContact O-N 3.24Å |
| 232 | K | 92.6 | Very high | 90.4 | Very high | 148 Ų | 148 | 105.5 Ų | 105.5 | 64% | 0.643 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.5 | -37.3 | 168 | -73.5 | -177.9 | 174.7 | -169.6 | 0 | 113.4 | R228 Q229 E235 A236 | R228-K232 WeakPolarHBondContact O-CG 3.44Å; R228-K232 PolarHBondContact O-N 2.86Å; R228-K232 VanDerWaalsContact O-N 3.08Å; Q229-K232 WeakPolarHBondContact O-CB 3.42Å; Q229-K232 PolarHBondContact O-N 2.79Å; K232-E235 PolarHBondContact O-N 3.31Å; K232-A236 PolarHBondContact O-N 2.92Å |
| 233 | G | 92.9 | Very high | 91 | Very high | 28 Ų | 28 | 101.4 Ų | 101.4 | 29% | 0.289 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.8 | -51 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q229 R230 E235 A236 E237 | Q229-G233 PolarHBondContact O-N 3.32Å; R230-G233 PolarHBondContact O-N 2.91Å; G233-E235 VanDerWaalsContact C-N 3.31Å; G233-E235 PolarHBondContact O-N 3.03Å; G233-A236 CarbonylContact O-C 3.58Å; G233-A236 WeakPolarHBondContact O-CA 3.41Å; G233-A236 WeakPolarHBondContact O-CB 3.37Å; G233-A236 PolarHBondContact O-N 3.19Å; G233-E237 WeakPolarHBondContact O-CG 3.46Å; G233-E237 PolarHBondContact O-N 3.35Å |
| 234 | L | 91.4 | Very high | 91.4 | Very high | 86 Ų | 86 | 103 Ų | 103 | 45% | 0.45 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.4 | -34.3 | 174.7 | -69.4 | 165.4 | 0 | 0 | 0 | 112.6 | R230 L231 V238 | R230-L234 HydrophobicContact CG-CD1 4.38Å; R230-L234 WeakPolarHBondContact O-CB 3.32Å; R230-L234 WeakPolarHBondContact O-CG 3.4Å; R230-L234 PolarHBondContact O-N 3.44Å; L231-L234 PolarHBondContact O-N 3.16Å; L234-V238 WeakPolarHBondContact O-CB 3.5Å; L234-V238 WeakPolarHBondContact O-CG2 3.4Å; L234-V238 PolarHBondContact O-N 2.85Å |
| 235 | E | 93.1 | Very high | 92.2 | Very high | 114 Ų | 114 | 105 Ų | 105 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 172.3 | -78.2 | 169.6 | 164.7 | 0 | 0 | 111.8 | L231 K232 G233 A239 | L231-E235 HydrophobicContact CD2-CG 4.17Å; L231-E235 VanDerWaalsContact CD2-OE1 3.32Å; L231-E235 WeakPolarHBondContact CD2-OE1 3.33Å; L231-E235 WeakPolarHBondContact O-CB 3.29Å; L231-E235 VanDerWaalsContact O-CG 3.26Å; L231-E235 WeakPolarHBondContact O-CG 3.47Å; L231-E235 PolarHBondContact O-N 3.24Å; K232-E235 PolarHBondContact O-N 3.31Å; G233-E235 VanDerWaalsContact C-N 3.31Å; G233-E235 PolarHBondContact O-N 3.03Å; E235-A239 PolarHBondContact O-N 3.48Å |
| 236 | A | 92.9 | Very high | 92.6 | Very high | 49 Ų | 49 | 105.6 Ų | 105.6 | 41% | 0.405 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.5 | -46.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K232 G233 V238 A239 E240 | K232-A236 PolarHBondContact O-N 2.92Å; G233-A236 CarbonylContact O-C 3.58Å; G233-A236 WeakPolarHBondContact O-CA 3.41Å; G233-A236 WeakPolarHBondContact O-CB 3.37Å; G233-A236 PolarHBondContact O-N 3.19Å; A236-V238 VanDerWaalsContact C-N 3.28Å; A236-V238 PolarHBondContact O-N 2.99Å; A236-A239 CarbonylContact O-C 3.56Å; A236-A239 WeakPolarHBondContact O-CA 3.45Å; A236-A239 WeakPolarHBondContact O-CB 3.35Å; A236-A239 PolarHBondContact O-N 3.25Å; A236-E240 WeakPolarHBondContact O-CG 3.43Å; A236-E240 PolarHBondContact O-N 2.88Å |
| 237 | E | 94.1 | Very high | 92.9 | Very high | 104 Ų | 104 | 103.4 Ų | 103.4 | 49% | 0.486 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56.3 | -42.2 | 172.4 | -70.6 | 167.4 | -143.4 | 0 | 0 | 111 | G233 A239 E240 L241 | G233-E237 WeakPolarHBondContact O-CG 3.46Å; G233-E237 PolarHBondContact O-N 3.35Å; E237-A239 VanDerWaalsContact C-N 3.33Å; E237-A239 PolarHBondContact O-N 3.25Å; E237-E240 PolarHBondContact O-N 2.89Å; E237-L241 VanDerWaalsContact O-CB 3.27Å; E237-L241 WeakPolarHBondContact O-CB 3.44Å; E237-L241 WeakPolarHBondContact O-CG 3.3Å; E237-L241 PolarHBondContact O-N 3.33Å |
| 238 | V | 93.4 | Very high | 93.1 | Very high | 57 Ų | 57 | 101 Ų | 101 | 35% | 0.345 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67 | -32.6 | 175.1 | 164.5 | 0 | 0 | 0 | 0 | 112.1 | L234 A236 R242 | L234-V238 WeakPolarHBondContact O-CB 3.5Å; L234-V238 WeakPolarHBondContact O-CG2 3.4Å; L234-V238 PolarHBondContact O-N 2.85Å; A236-V238 VanDerWaalsContact C-N 3.28Å; A236-V238 PolarHBondContact O-N 2.99Å; V238-R242 WeakPolarHBondContact O-CB 3.37Å; V238-R242 WeakPolarHBondContact O-CD 3.39Å; V238-R242 WeakPolarHBondContact O-CG 3.27Å; V238-R242 PolarHBondContact O-N 3.29Å; V238-R242 VanDerWaalsContact O-N 3.08Å |
| 239 | A | 94.5 | Very high | 93.5 | Very high | 53 Ų | 53 | 94.6 Ų | 94.6 | 44% | 0.438 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.9 | -42.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E235 A236 E237 R242 A243 | E235-A239 PolarHBondContact O-N 3.48Å; A236-A239 CarbonylContact O-C 3.56Å; A236-A239 WeakPolarHBondContact O-CA 3.45Å; A236-A239 WeakPolarHBondContact O-CB 3.35Å; A236-A239 PolarHBondContact O-N 3.25Å; E237-A239 VanDerWaalsContact C-N 3.33Å; E237-A239 PolarHBondContact O-N 3.25Å; A239-R242 PolarHBondContact O-N 2.84Å; A239-A243 PolarHBondContact O-N 3.34Å |
| 240 | E | 93.9 | Very high | 93.7 | Very high | 120 Ų | 120 | 93.6 Ų | 93.6 | 56% | 0.561 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65 | -45.4 | 175 | -72.2 | 178.7 | -170.9 | 0 | 0 | 111.7 | A236 E237 R242 A243 Q244 | A236-E240 WeakPolarHBondContact O-CG 3.43Å; A236-E240 PolarHBondContact O-N 2.88Å; E237-E240 PolarHBondContact O-N 2.89Å; E240-R242 VanDerWaalsContact C-N 3.28Å; E240-R242 PolarHBondContact O-N 3.47Å; E240-A243 CarbonylContact O-C 3.56Å; E240-A243 PolarHBondContact O-N 3.41Å; E240-A243 VanDerWaalsContact O-N 3.13Å; E240-Q244 WeakPolarHBondContact O-CB 3.36Å; E240-Q244 VanDerWaalsContact O-CG 3.31Å; E240-Q244 WeakPolarHBondContact O-CG 3.45Å; E240-Q244 PolarHBondContact O-N 3.46Å |
| 241 | L | 93.1 | Very high | 93.8 | Very high | 103 Ų | 103 | 91 Ų | 91 | 54% | 0.539 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62 | -34 | 174.5 | -73.1 | 169.9 | 0 | 0 | 0 | 112.2 | E237 R245 | E237-L241 VanDerWaalsContact O-CB 3.27Å; E237-L241 WeakPolarHBondContact O-CB 3.44Å; E237-L241 WeakPolarHBondContact O-CG 3.3Å; E237-L241 PolarHBondContact O-N 3.33Å; L241-R245 VanDerWaalsContact O-CB 3.24Å; L241-R245 WeakPolarHBondContact O-CB 3.39Å; L241-R245 PolarHBondContact O-N 3.48Å |
| 242 | R | 94.8 | Very high | 93.9 | Very high | 146 Ų | 146 | 89.2 Ų | 89.2 | 55% | 0.551 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.5 | -45 | 171.2 | -76.6 | 166.6 | -175.8 | 159 | 2.9 | 111.4 | V238 A239 E240 R245 D246 | V238-R242 WeakPolarHBondContact O-CB 3.37Å; V238-R242 WeakPolarHBondContact O-CD 3.39Å; V238-R242 WeakPolarHBondContact O-CG 3.27Å; V238-R242 PolarHBondContact O-N 3.29Å; V238-R242 VanDerWaalsContact O-N 3.08Å; A239-R242 PolarHBondContact O-N 2.84Å; E240-R242 VanDerWaalsContact C-N 3.28Å; E240-R242 PolarHBondContact O-N 3.47Å; R242-R245 PolarHBondContact O-N 2.86Å; R242-D246 WeakPolarHBondContact O-CB 3.42Å; R242-D246 PolarHBondContact O-N 3.46Å |
| 243 | A | 94.6 | Very high | 94.1 | Very high | 53 Ų | 53 | 87 Ų | 87 | 44% | 0.438 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | A239 E240 D246 T247 | A239-A243 PolarHBondContact O-N 3.34Å; E240-A243 CarbonylContact O-C 3.56Å; E240-A243 PolarHBondContact O-N 3.41Å; E240-A243 VanDerWaalsContact O-N 3.13Å; A243-D246 PolarHBondContact O-N 2.92Å; A243-T247 WeakPolarHBondContact O-CG2 3.24Å; A243-T247 PolarHBondContact O-N 3.27Å; A243-T247 PolarHBondContact O-OG1 3.11Å; A243-T247 VanDerWaalsContact O-OG1 3.1Å |
| 244 | Q | 94 | Very high | 94.3 | Very high | 112 Ų | 112 | 88.4 Ų | 88.4 | 52% | 0.523 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 174.1 | -72.4 | 175.4 | 13.8 | 0 | 0 | 111.3 | E240 D246 T247 S248 | E240-Q244 WeakPolarHBondContact O-CB 3.36Å; E240-Q244 VanDerWaalsContact O-CG 3.31Å; E240-Q244 WeakPolarHBondContact O-CG 3.45Å; E240-Q244 PolarHBondContact O-N 3.46Å; Q244-D246 VanDerWaalsContact C-N 3.33Å; Q244-D246 PolarHBondContact O-N 3.41Å; Q244-T247 WeakPolarHBondContact CA-OG1 3.38Å; Q244-T247 PolarHBondContact O-N 3.42Å; Q244-T247 PolarHBondContact O-OG1 2.92Å; Q244-S248 WeakPolarHBondContact O-CB 3.44Å; Q244-S248 PolarHBondContact O-N 3.44Å; Q244-S248 PolarHBondContact O-OG 2.93Å |
| 245 | R | 95.4 | Very high | 94.5 | Very high | 151 Ų | 151 | 87.9 Ų | 87.9 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -58 | -43.3 | 173.1 | -177.9 | -155.8 | 67.8 | -176.1 | -2.8 | 112 | L241 R242 S248 G249 | L241-R245 VanDerWaalsContact O-CB 3.24Å; L241-R245 WeakPolarHBondContact O-CB 3.39Å; L241-R245 PolarHBondContact O-N 3.48Å; R242-R245 PolarHBondContact O-N 2.86Å; R245-S248 PolarHBondContact O-N 3.25Å; R245-S248 PolarHBondContact O-OG 2.82Å; R245-G249 PolarHBondContact O-N 2.95Å |
| 246 | D | 94.9 | Very high | 94.7 | Very high | 72 Ų | 72 | 88 Ų | 88 | 39% | 0.385 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -72.2 | -37.4 | -176.6 | -66 | -10.3 | 0 | 0 | 0 | 110.9 | R242 A243 Q244 G249 Q250 | R242-D246 WeakPolarHBondContact O-CB 3.42Å; R242-D246 PolarHBondContact O-N 3.46Å; A243-D246 PolarHBondContact O-N 2.92Å; Q244-D246 VanDerWaalsContact C-N 3.33Å; Q244-D246 PolarHBondContact O-N 3.41Å; D246-G249 PolarHBondContact O-N 2.89Å; D246-Q250 WeakPolarHBondContact O-CG 3.41Å; D246-Q250 PolarHBondContact O-N 3.26Å |
| 247 | T | 95.3 | Very high | 94.9 | Very high | 71 Ų | 71 | 92 Ų | 92 | 44% | 0.436 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.2 | -39.5 | 171 | 56.5 | 0 | 0 | 0 | 0 | 113 | A243 Q244 G249 Q250 Q251 | A243-T247 WeakPolarHBondContact O-CG2 3.24Å; A243-T247 PolarHBondContact O-N 3.27Å; A243-T247 PolarHBondContact O-OG1 3.11Å; A243-T247 VanDerWaalsContact O-OG1 3.1Å; Q244-T247 WeakPolarHBondContact CA-OG1 3.38Å; Q244-T247 PolarHBondContact O-N 3.42Å; Q244-T247 PolarHBondContact O-OG1 2.92Å; T247-G249 VanDerWaalsContact C-N 3.34Å; T247-Q250 PolarHBondContact O-N 3.25Å; T247-Q251 WeakPolarHBondContact O-CB 3.28Å; T247-Q251 VanDerWaalsContact O-CG 3.3Å; T247-Q251 WeakPolarHBondContact O-CG 3.26Å; T247-Q251 PolarHBondContact O-N 2.89Å |
| 248 | S | 92.7 | Very high | 95 | Very high | 61 Ų | 61 | 90.8 Ų | 90.8 | 43% | 0.427 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.6 | -33 | 175.6 | 71 | 0 | 0 | 0 | 0 | 111.9 | Q244 R245 Q251 A252 | Q244-S248 WeakPolarHBondContact O-CB 3.44Å; Q244-S248 PolarHBondContact O-N 3.44Å; Q244-S248 PolarHBondContact O-OG 2.93Å; R245-S248 PolarHBondContact O-N 3.25Å; R245-S248 PolarHBondContact O-OG 2.82Å; S248-Q251 PolarHBondContact O-N 3.14Å; S248-A252 WeakPolarHBondContact O-CB 3.41Å; S248-A252 PolarHBondContact O-N 3Å |
| 249 | G | 96.3 | Very high | 95.2 | Very high | 29 Ų | 29 | 93 Ų | 93 | 30% | 0.299 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61 | -49.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R245 D246 T247 Q251 A252 E253 | R245-G249 PolarHBondContact O-N 2.95Å; D246-G249 PolarHBondContact O-N 2.89Å; T247-G249 VanDerWaalsContact C-N 3.34Å; G249-Q251 VanDerWaalsContact C-N 3.31Å; G249-Q251 PolarHBondContact O-N 2.92Å; G249-A252 PolarHBondContact O-N 3.09Å; G249-E253 WeakPolarHBondContact O-CG 3.44Å; G249-E253 PolarHBondContact O-N 2.81Å |
| 250 | Q | 94.9 | Very high | 95.3 | Very high | 127 Ų | 127 | 94.9 Ų | 94.9 | 59% | 0.593 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.9 | -38.1 | 175.4 | -72 | 172.8 | 12 | 0 | 0 | 112.6 | D246 T247 S254 | D246-Q250 WeakPolarHBondContact O-CG 3.41Å; D246-Q250 PolarHBondContact O-N 3.26Å; T247-Q250 PolarHBondContact O-N 3.25Å; Q250-S254 VanDerWaalsContact O-CB 3.3Å; Q250-S254 WeakPolarHBondContact O-CB 3.49Å; Q250-S254 PolarHBondContact O-N 2.85Å |
| 251 | Q | 94.3 | Very high | 95.5 | Very high | 129 Ų | 129 | 97 Ų | 97 | 60% | 0.603 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.1 | -44.8 | 173.5 | -73.8 | 173.4 | 1.4 | 0 | 0 | 111.7 | T247 S248 G249 S254 V255 | T247-Q251 WeakPolarHBondContact O-CB 3.28Å; T247-Q251 VanDerWaalsContact O-CG 3.3Å; T247-Q251 WeakPolarHBondContact O-CG 3.26Å; T247-Q251 PolarHBondContact O-N 2.89Å; S248-Q251 PolarHBondContact O-N 3.14Å; G249-Q251 VanDerWaalsContact C-N 3.31Å; G249-Q251 PolarHBondContact O-N 2.92Å; Q251-S254 WeakPolarHBondContact O-CB 3.32Å; Q251-S254 PolarHBondContact O-N 3.35Å; Q251-V255 WeakPolarHBondContact O-CG2 3.48Å; Q251-V255 PolarHBondContact O-N 3.3Å |
| 252 | A | 93.5 | Very high | 95.7 | Very high | 60 Ų | 60 | 97 Ų | 97 | 50% | 0.496 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S248 G249 S254 V255 Q256 | S248-A252 WeakPolarHBondContact O-CB 3.41Å; S248-A252 PolarHBondContact O-N 3Å; G249-A252 PolarHBondContact O-N 3.09Å; A252-S254 VanDerWaalsContact C-N 3.3Å; A252-S254 PolarHBondContact O-N 3.31Å; A252-V255 PolarHBondContact O-N 2.99Å; A252-Q256 VanDerWaalsContact O-CB 3.3Å; A252-Q256 WeakPolarHBondContact O-CB 3.27Å; A252-Q256 PolarHBondContact O-N 3.16Å |
| 253 | E | 96.4 | Very high | 95.8 | Very high | 102 Ų | 102 | 95.5 Ų | 95.5 | 48% | 0.477 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64 | -32.7 | 174.2 | -70.2 | 179.9 | -172.9 | 0 | 0 | 113.1 | G249 R257 | G249-E253 WeakPolarHBondContact O-CG 3.44Å; G249-E253 PolarHBondContact O-N 2.81Å; E253-R257 VanDerWaalsContact CB-NH2 3.35Å; E253-R257 WeakPolarHBondContact O-CB 3.44Å; E253-R257 VanDerWaalsContact O-CG 3.29Å; E253-R257 WeakPolarHBondContact O-CG 3.27Å; E253-R257 PolarHBondContact O-N 3.24Å; E253-R257 PolarHBondContact O-NE 2.75Å; E253-R257 IonicContact OE2-CZ 3.52Å; E253-R257 IonicContact OE2-NH2 3.05Å; E253-R257 PolarHBondContact OE2-NH2 3.49Å; E253-R257 VanDerWaalsContact OE2-NH2 3.11Å |
| 254 | S | 96.3 | Very high | 95.9 | Very high | 57 Ų | 57 | 96.7 Ų | 96.7 | 40% | 0.399 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.8 | -51.8 | 174.8 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | Q250 Q251 A252 Q256 R257 I258 | Q250-S254 VanDerWaalsContact O-CB 3.3Å; Q250-S254 WeakPolarHBondContact O-CB 3.49Å; Q250-S254 PolarHBondContact O-N 2.85Å; Q251-S254 WeakPolarHBondContact O-CB 3.32Å; Q251-S254 PolarHBondContact O-N 3.35Å; A252-S254 VanDerWaalsContact C-N 3.3Å; A252-S254 PolarHBondContact O-N 3.31Å; S254-Q256 VanDerWaalsContact C-N 3.35Å; S254-Q256 PolarHBondContact O-N 2.99Å; S254-R257 PolarHBondContact O-N 3.3Å; S254-I258 WeakPolarHBondContact O-CG1 3.47Å; S254-I258 PolarHBondContact O-N 3.45Å |
| 255 | V | 97.4 | Very high | 96 | Very high | 76 Ų | 76 | 96.9 Ų | 96.9 | 46% | 0.461 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 176.5 | 172.1 | 0 | 0 | 0 | 0 | 111 | Q251 A252 R257 I258 Q259 | Q251-V255 WeakPolarHBondContact O-CG2 3.48Å; Q251-V255 PolarHBondContact O-N 3.3Å; A252-V255 PolarHBondContact O-N 2.99Å; V255-R257 PolarHBondContact O-N 3.5Å; V255-I258 PolarHBondContact O-N 3.42Å; V255-Q259 HydrophobicContact CG1-CG 4.36Å; V255-Q259 WeakPolarHBondContact O-CG 3.5Å; V255-Q259 PolarHBondContact O-N 3.44Å |
| 256 | Q | 96.8 | Very high | 96.1 | Very high | 115 Ų | 115 | 95 Ų | 95 | 54% | 0.537 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 177.5 | -169.4 | -179.7 | 12.5 | 0 | 0 | 112 | A252 S254 Q259 I260 | A252-Q256 VanDerWaalsContact O-CB 3.3Å; A252-Q256 WeakPolarHBondContact O-CB 3.27Å; A252-Q256 PolarHBondContact O-N 3.16Å; S254-Q256 VanDerWaalsContact C-N 3.35Å; S254-Q256 PolarHBondContact O-N 2.99Å; Q256-Q259 PolarHBondContact O-N 3.33Å; Q256-I260 HydrophobicContact CG-CD1 4.02Å; Q256-I260 WeakPolarHBondContact O-CB 3.42Å; Q256-I260 VanDerWaalsContact O-CG1 3.26Å; Q256-I260 WeakPolarHBondContact O-CG1 3.5Å; Q256-I260 PolarHBondContact O-N 2.92Å |
| 257 | R | 97.4 | Very high | 96.2 | Very high | 134 Ų | 134 | 96.9 Ų | 96.9 | 51% | 0.506 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.6 | -38.6 | 174.3 | -81.3 | 177.7 | -79.8 | -152.5 | -10.1 | 112.5 | E253 S254 V255 R261 | E253-R257 VanDerWaalsContact CB-NH2 3.35Å; E253-R257 WeakPolarHBondContact O-CB 3.44Å; E253-R257 VanDerWaalsContact O-CG 3.29Å; E253-R257 WeakPolarHBondContact O-CG 3.27Å; E253-R257 PolarHBondContact O-N 3.24Å; E253-R257 PolarHBondContact O-NE 2.75Å; E253-R257 IonicContact OE2-CZ 3.52Å; E253-R257 IonicContact OE2-NH2 3.05Å; E253-R257 PolarHBondContact OE2-NH2 3.49Å; E253-R257 VanDerWaalsContact OE2-NH2 3.11Å; S254-R257 PolarHBondContact O-N 3.3Å; V255-R257 PolarHBondContact O-N 3.5Å; R257-R261 WeakPolarHBondContact O-CG 3.32Å; R257-R261 PolarHBondContact O-N 2.94Å; R257-R261 VanDerWaalsContact O-N 3.15Å |
| 258 | I | 96.5 | Very high | 96.3 | Very high | 79 Ų | 79 | 96.9 Ų | 96.9 | 41% | 0.405 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.2 | -46.6 | 175.2 | -67.3 | 165 | 0 | 0 | 0 | 110.4 | S254 V255 I260 R261 Q262 | S254-I258 WeakPolarHBondContact O-CG1 3.47Å; S254-I258 PolarHBondContact O-N 3.45Å; V255-I258 PolarHBondContact O-N 3.42Å; I258-I260 PolarHBondContact O-N 3.43Å; I258-R261 WeakPolarHBondContact O-CB 3.36Å; I258-R261 PolarHBondContact O-N 3.43Å; I258-Q262 HydrophobicContact CG2-CG 4.4Å; I258-Q262 WeakPolarHBondContact O-CG 3.45Å; I258-Q262 PolarHBondContact O-N 2.94Å |
| 259 | Q | 95.8 | Very high | 96.5 | Very high | 103 Ų | 103 | 97.1 Ų | 97.1 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 177.4 | -72.8 | 174 | -7.5 | 0 | 0 | 112.2 | V255 Q256 R261 Q262 L263 | V255-Q259 HydrophobicContact CG1-CG 4.36Å; V255-Q259 WeakPolarHBondContact O-CG 3.5Å; V255-Q259 PolarHBondContact O-N 3.44Å; Q256-Q259 PolarHBondContact O-N 3.33Å; Q259-R261 VanDerWaalsContact C-N 3.35Å; Q259-R261 PolarHBondContact O-N 2.92Å; Q259-Q262 PolarHBondContact O-N 2.68Å; Q259-L263 WeakPolarHBondContact O-CB 3.49Å; Q259-L263 VanDerWaalsContact O-CG 3.25Å; Q259-L263 WeakPolarHBondContact O-CG 3.35Å; Q259-L263 PolarHBondContact O-N 3.16Å |
| 260 | I | 97.5 | Very high | 96.6 | Very high | 93 Ų | 93 | 99.2 Ų | 99.2 | 48% | 0.477 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 176.3 | -69.9 | 165.3 | 0 | 0 | 0 | 111.5 | Q256 I258 T264 | Q256-I260 HydrophobicContact CG-CD1 4.02Å; Q256-I260 WeakPolarHBondContact O-CB 3.42Å; Q256-I260 VanDerWaalsContact O-CG1 3.26Å; Q256-I260 WeakPolarHBondContact O-CG1 3.5Å; Q256-I260 PolarHBondContact O-N 2.92Å; I258-I260 PolarHBondContact O-N 3.43Å; I260-T264 PolarHBondContact O-N 2.92Å; I260-T264 PolarHBondContact O-OG1 2.91Å |
| 261 | R | 97.5 | Very high | 96.7 | Very high | 164 Ų | 164 | 99.3 Ų | 99.3 | 62% | 0.619 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.9 | -50.2 | 173.5 | -73.4 | 176.3 | -178.3 | 171.3 | 0.4 | 111.5 | R257 I258 Q259 L263 T264 E265 | R257-R261 WeakPolarHBondContact O-CG 3.32Å; R257-R261 PolarHBondContact O-N 2.94Å; R257-R261 VanDerWaalsContact O-N 3.15Å; I258-R261 WeakPolarHBondContact O-CB 3.36Å; I258-R261 PolarHBondContact O-N 3.43Å; Q259-R261 VanDerWaalsContact C-N 3.35Å; Q259-R261 PolarHBondContact O-N 2.92Å; R261-L263 VanDerWaalsContact C-N 3.31Å; R261-L263 PolarHBondContact O-N 3.39Å; R261-T264 WeakPolarHBondContact CA-OG1 3.44Å; R261-T264 PolarHBondContact O-N 3.04Å; R261-T264 VanDerWaalsContact O-N 3.1Å; R261-T264 PolarHBondContact O-OG1 3.01Å; R261-E265 WeakPolarHBondContact O-CB 3.31Å; R261-E265 WeakPolarHBondContact O-CG 3.47Å; R261-E265 PolarHBondContact O-N 3.44Å |
| 262 | Q | 97.2 | Very high | 96.8 | Very high | 104 Ų | 104 | 95.8 Ų | 95.8 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.2 | -40.5 | 177.3 | -71.3 | 174.1 | -23.5 | 0 | 0 | 112.4 | I258 Q259 E265 L266 | I258-Q262 HydrophobicContact CG2-CG 4.4Å; I258-Q262 WeakPolarHBondContact O-CG 3.45Å; I258-Q262 PolarHBondContact O-N 2.94Å; Q259-Q262 PolarHBondContact O-N 2.68Å; Q262-E265 PolarHBondContact O-N 3.26Å; Q262-L266 WeakPolarHBondContact O-CB 3.49Å; Q262-L266 VanDerWaalsContact O-CG 3.24Å; Q262-L266 WeakPolarHBondContact O-CG 3.32Å; Q262-L266 PolarHBondContact O-N 2.91Å |
| 263 | L | 96.5 | Very high | 96.9 | Very high | 114 Ų | 114 | 98.1 Ų | 98.1 | 60% | 0.597 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.7 | -39.5 | 175.3 | -75.1 | 169.8 | 0 | 0 | 0 | 112.4 | Q259 R261 Q267 | Q259-L263 WeakPolarHBondContact O-CB 3.49Å; Q259-L263 VanDerWaalsContact O-CG 3.25Å; Q259-L263 WeakPolarHBondContact O-CG 3.35Å; Q259-L263 PolarHBondContact O-N 3.16Å; R261-L263 VanDerWaalsContact C-N 3.31Å; R261-L263 PolarHBondContact O-N 3.39Å; L263-Q267 VanDerWaalsContact O-CB 3.23Å; L263-Q267 WeakPolarHBondContact O-CB 2.79Å; L263-Q267 PolarHBondContact O-N 3.32Å |
| 264 | T | 97.3 | Very high | 96.9 | Very high | 78 Ų | 78 | 97.4 Ų | 97.4 | 48% | 0.479 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -74.5 | -33.3 | 178 | 44.4 | 0 | 0 | 0 | 0 | 112.8 | I260 R261 Q267 S268 | I260-T264 PolarHBondContact O-N 2.92Å; I260-T264 PolarHBondContact O-OG1 2.91Å; R261-T264 WeakPolarHBondContact CA-OG1 3.44Å; R261-T264 PolarHBondContact O-N 3.04Å; R261-T264 VanDerWaalsContact O-N 3.1Å; R261-T264 PolarHBondContact O-OG1 3.01Å; T264-Q267 PolarHBondContact O-N 3.36Å; T264-S268 PolarHBondContact O-N 3.42Å |
| 265 | E | 97.3 | Very high | 96.9 | Very high | 115 Ų | 115 | 97.4 Ų | 97.4 | 54% | 0.537 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -51.5 | 169.1 | -72.8 | 162.8 | -163.6 | 0 | 0 | 111.2 | R261 Q262 Q267 S268 V269 | R261-E265 WeakPolarHBondContact O-CB 3.31Å; R261-E265 WeakPolarHBondContact O-CG 3.47Å; R261-E265 PolarHBondContact O-N 3.44Å; Q262-E265 PolarHBondContact O-N 3.26Å; E265-Q267 VanDerWaalsContact C-N 3.28Å; E265-Q267 PolarHBondContact O-N 2.97Å; E265-S268 PolarHBondContact O-N 3.21Å; E265-S268 VanDerWaalsContact O-N 3.08Å; E265-S268 PolarHBondContact O-OG 2.87Å; E265-V269 WeakPolarHBondContact O-CG2 3.47Å; E265-V269 PolarHBondContact O-N 3.31Å |
| 266 | L | 96.3 | Very high | 96.9 | Very high | 112 Ų | 112 | 99.4 Ų | 99.4 | 59% | 0.586 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.5 | -39.4 | 175.4 | -71.6 | 170.8 | 0 | 0 | 0 | 111.9 | Q262 S268 V269 V270 | Q262-L266 WeakPolarHBondContact O-CB 3.49Å; Q262-L266 VanDerWaalsContact O-CG 3.24Å; Q262-L266 WeakPolarHBondContact O-CG 3.32Å; Q262-L266 PolarHBondContact O-N 2.91Å; L266-S268 VanDerWaalsContact C-N 3.3Å; L266-S268 PolarHBondContact O-N 2.96Å; L266-V269 PolarHBondContact O-N 3.5Å; L266-V270 WeakPolarHBondContact O-CG2 3.33Å; L266-V270 PolarHBondContact O-N 3.26Å |
| 267 | Q | 98 | Very high | 96.9 | Very high | 112 Ų | 112 | 99.7 Ų | 99.7 | 52% | 0.523 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.8 | -29.3 | 176.7 | -166.6 | -179.5 | 32.6 | 0 | 0 | 112.8 | L263 T264 E265 K271 | L263-Q267 VanDerWaalsContact O-CB 3.23Å; L263-Q267 WeakPolarHBondContact O-CB 2.79Å; L263-Q267 PolarHBondContact O-N 3.32Å; T264-Q267 PolarHBondContact O-N 3.36Å; E265-Q267 VanDerWaalsContact C-N 3.28Å; E265-Q267 PolarHBondContact O-N 2.97Å; Q267-K271 WeakPolarHBondContact O-CG 3.46Å; Q267-K271 PolarHBondContact O-N 2.88Å |
| 268 | S | 96.6 | Very high | 96.9 | Very high | 71 Ų | 71 | 98.5 Ų | 98.5 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -74.9 | -40 | 174.2 | 79.6 | 0 | 0 | 0 | 0 | 111.6 | T264 E265 L266 K271 S272 | T264-S268 PolarHBondContact O-N 3.42Å; E265-S268 PolarHBondContact O-N 3.21Å; E265-S268 VanDerWaalsContact O-N 3.08Å; E265-S268 PolarHBondContact O-OG 2.87Å; L266-S268 VanDerWaalsContact C-N 3.3Å; L266-S268 PolarHBondContact O-N 2.96Å; S268-K271 PolarHBondContact O-N 3.3Å; S268-S272 PolarHBondContact O-N 2.91Å |
| 269 | V | 97.8 | Very high | 97 | Very high | 65 Ų | 65 | 97.5 Ų | 97.5 | 39% | 0.394 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 173.9 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | E265 L266 K271 S272 Q273 | E265-V269 WeakPolarHBondContact O-CG2 3.47Å; E265-V269 PolarHBondContact O-N 3.31Å; L266-V269 PolarHBondContact O-N 3.5Å; V269-K271 VanDerWaalsContact C-N 3.33Å; V269-K271 PolarHBondContact O-N 2.99Å; V269-S272 PolarHBondContact O-N 3.1Å; V269-S272 PolarHBondContact O-OG 2.93Å; V269-Q273 HydrophobicContact CG1-CG 4.38Å; V269-Q273 WeakPolarHBondContact O-CB 3.33Å; V269-Q273 WeakPolarHBondContact O-CG 3.47Å; V269-Q273 PolarHBondContact O-N 3.48Å |
| 270 | V | 97 | Very high | 97 | Very high | 73 Ų | 73 | 97.7 Ų | 97.7 | 44% | 0.442 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.7 | -45.5 | 175.4 | 169 | 0 | 0 | 0 | 0 | 110.8 | L266 S272 Q273 E274 | L266-V270 WeakPolarHBondContact O-CG2 3.33Å; L266-V270 PolarHBondContact O-N 3.26Å; V270-S272 PolarHBondContact O-N 2.94Å; V270-Q273 PolarHBondContact O-N 3.24Å; V270-E274 HydrophobicContact CG1-CG 4.39Å; V270-E274 WeakPolarHBondContact O-CB 3.34Å; V270-E274 WeakPolarHBondContact O-CG 3.44Å; V270-E274 PolarHBondContact O-N 2.89Å |
| 271 | K | 97.9 | Very high | 97 | Very high | 129 Ų | 129 | 99.8 Ų | 99.8 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63 | -38.4 | 178.1 | -74.3 | 170.2 | 177.8 | 174.9 | 0 | 112.9 | Q267 S268 V269 A275 | Q267-K271 WeakPolarHBondContact O-CG 3.46Å; Q267-K271 PolarHBondContact O-N 2.88Å; S268-K271 PolarHBondContact O-N 3.3Å; V269-K271 VanDerWaalsContact C-N 3.33Å; V269-K271 PolarHBondContact O-N 2.99Å; K271-A275 PolarHBondContact O-N 3.47Å; K271-A275 VanDerWaalsContact O-N 3.14Å |
| 272 | S | 96.4 | Very high | 97 | Very high | 55 Ų | 55 | 96.7 Ų | 96.7 | 39% | 0.385 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.5 | -44.5 | 176.8 | 66.3 | 0 | 0 | 0 | 0 | 111.5 | S268 V269 V270 E274 A275 E276 | S268-S272 PolarHBondContact O-N 2.91Å; V269-S272 PolarHBondContact O-N 3.1Å; V269-S272 PolarHBondContact O-OG 2.93Å; V270-S272 PolarHBondContact O-N 2.94Å; S272-E274 VanDerWaalsContact C-N 3.3Å; S272-E274 PolarHBondContact O-N 3.42Å; S272-A275 WeakPolarHBondContact O-CB 3.28Å; S272-A275 PolarHBondContact O-N 3.08Å; S272-A275 VanDerWaalsContact O-N 3.16Å; S272-E276 WeakPolarHBondContact O-CG 3.49Å; S272-E276 PolarHBondContact O-N 2.99Å |
| 273 | Q | 95.6 | Very high | 97 | Very high | 110 Ų | 110 | 96.4 Ų | 96.4 | 51% | 0.514 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -34.4 | 175.5 | -70.7 | 178.2 | -10.7 | 0 | 0 | 112.6 | V269 V270 R277 | V269-Q273 HydrophobicContact CG1-CG 4.38Å; V269-Q273 WeakPolarHBondContact O-CB 3.33Å; V269-Q273 WeakPolarHBondContact O-CG 3.47Å; V269-Q273 PolarHBondContact O-N 3.48Å; V270-Q273 PolarHBondContact O-N 3.24Å; Q273-R277 VanDerWaalsContact O-CB 3.28Å; Q273-R277 WeakPolarHBondContact O-CB 3.39Å; Q273-R277 PolarHBondContact O-N 3.27Å |
| 274 | E | 96.9 | Very high | 97 | Very high | 87 Ų | 87 | 95.6 Ų | 95.6 | 41% | 0.407 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 173.5 | -77 | -175.2 | 142.2 | 0 | 0 | 112.5 | V270 S272 Q278 | V270-E274 HydrophobicContact CG1-CG 4.39Å; V270-E274 WeakPolarHBondContact O-CB 3.34Å; V270-E274 WeakPolarHBondContact O-CG 3.44Å; V270-E274 PolarHBondContact O-N 2.89Å; S272-E274 VanDerWaalsContact C-N 3.3Å; S272-E274 PolarHBondContact O-N 3.42Å; E274-Q278 VanDerWaalsContact O-CG 3.31Å; E274-Q278 WeakPolarHBondContact O-CG 3.46Å; E274-Q278 PolarHBondContact O-N 2.95Å |
| 275 | A | 95.7 | Very high | 97 | Very high | 56 Ų | 56 | 96.1 Ų | 96.1 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.2 | -43.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | K271 S272 R277 Q278 S279 | K271-A275 PolarHBondContact O-N 3.47Å; K271-A275 VanDerWaalsContact O-N 3.14Å; S272-A275 WeakPolarHBondContact O-CB 3.28Å; S272-A275 PolarHBondContact O-N 3.08Å; S272-A275 VanDerWaalsContact O-N 3.16Å; A275-R277 PolarHBondContact O-N 2.89Å; A275-Q278 PolarHBondContact O-N 3.32Å; A275-S279 PolarHBondContact O-N 3.48Å |
| 276 | E | 96.8 | Very high | 97 | Very high | 119 Ų | 119 | 97 Ų | 97 | 56% | 0.556 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.5 | -46.7 | 172.6 | -73.4 | 172.6 | -176.4 | 0 | 0 | 111.3 | S272 Q278 S279 L280 | S272-E276 WeakPolarHBondContact O-CG 3.49Å; S272-E276 PolarHBondContact O-N 2.99Å; E276-Q278 VanDerWaalsContact C-N 3.29Å; E276-Q278 PolarHBondContact O-N 3.3Å; E276-S279 WeakPolarHBondContact O-CB 3.39Å; E276-S279 PolarHBondContact O-N 2.9Å; E276-S279 VanDerWaalsContact O-N 3.14Å; E276-L280 WeakPolarHBondContact O-CG 3.43Å; E276-L280 PolarHBondContact O-N 3.33Å |
| 277 | R | 97.3 | Very high | 97.1 | Very high | 120 Ų | 120 | 97.4 Ų | 97.4 | 45% | 0.453 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.7 | -37.4 | 175.5 | -174 | -173.9 | 66.8 | 173.4 | -6.3 | 112.4 | Q273 A275 R281 | Q273-R277 VanDerWaalsContact O-CB 3.28Å; Q273-R277 WeakPolarHBondContact O-CB 3.39Å; Q273-R277 PolarHBondContact O-N 3.27Å; A275-R277 PolarHBondContact O-N 2.89Å; R277-R281 VanDerWaalsContact O-CG 3.28Å; R277-R281 WeakPolarHBondContact O-CG 3.41Å; R277-R281 PolarHBondContact O-N 3.42Å; R277-R281 VanDerWaalsContact O-N 3.14Å |
| 278 | Q | 97.8 | Very high | 97.1 | Very high | 109 Ų | 109 | 96.8 Ų | 96.8 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.4 | -40.7 | 175 | -73.3 | 174.7 | 21.3 | 0 | 0 | 111.8 | E274 A275 E276 R281 Q282 | E274-Q278 VanDerWaalsContact O-CG 3.31Å; E274-Q278 WeakPolarHBondContact O-CG 3.46Å; E274-Q278 PolarHBondContact O-N 2.95Å; A275-Q278 PolarHBondContact O-N 3.32Å; E276-Q278 VanDerWaalsContact C-N 3.29Å; E276-Q278 PolarHBondContact O-N 3.3Å; Q278-R281 PolarHBondContact O-N 3.09Å; Q278-Q282 WeakPolarHBondContact O-CG 3.42Å; Q278-Q282 PolarHBondContact O-N 3.35Å; Q278-Q282 VanDerWaalsContact O-N 3.11Å |
| 279 | S | 97.3 | Very high | 97.1 | Very high | 58 Ų | 58 | 96 Ų | 96 | 41% | 0.406 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 175.8 | -171.8 | 0 | 0 | 0 | 0 | 112 | A275 E276 R281 Q282 Q283 | A275-S279 PolarHBondContact O-N 3.48Å; E276-S279 WeakPolarHBondContact O-CB 3.39Å; E276-S279 PolarHBondContact O-N 2.9Å; E276-S279 VanDerWaalsContact O-N 3.14Å; S279-R281 VanDerWaalsContact C-N 3.33Å; S279-R281 PolarHBondContact O-N 3.42Å; S279-Q282 PolarHBondContact O-N 2.88Å; S279-Q283 PolarHBondContact O-N 3.17Å |
| 280 | L | 96.3 | Very high | 97.1 | Very high | 107 Ų | 107 | 98.1 Ų | 98.1 | 56% | 0.56 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.1 | -37.8 | 177.3 | -71.7 | 174.7 | 0 | 0 | 0 | 112.4 | E276 Q283 L284 | E276-L280 WeakPolarHBondContact O-CG 3.43Å; E276-L280 PolarHBondContact O-N 3.33Å; L280-Q283 PolarHBondContact O-N 2.91Å; L280-L284 WeakPolarHBondContact O-CB 3.46Å; L280-L284 PolarHBondContact O-N 2.94Å |
| 281 | R | 98 | Very high | 97.1 | Very high | 138 Ų | 138 | 99.4 Ų | 99.4 | 52% | 0.521 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.5 | -49.3 | 172.2 | -77.5 | 171.3 | 177.6 | -175.6 | -3.2 | 111.8 | R277 Q278 S279 Q283 L284 D285 | R277-R281 VanDerWaalsContact O-CG 3.28Å; R277-R281 WeakPolarHBondContact O-CG 3.41Å; R277-R281 PolarHBondContact O-N 3.42Å; R277-R281 VanDerWaalsContact O-N 3.14Å; Q278-R281 PolarHBondContact O-N 3.09Å; S279-R281 VanDerWaalsContact C-N 3.33Å; S279-R281 PolarHBondContact O-N 3.42Å; R281-Q283 PolarHBondContact O-N 3.23Å; R281-L284 WeakPolarHBondContact O-CA 3.29Å; R281-L284 WeakPolarHBondContact O-CB 3.28Å; R281-L284 PolarHBondContact O-N 3.16Å; R281-D285 PolarHBondContact O-N 3.45Å |
| 282 | Q | 97.3 | Very high | 97.1 | Very high | 98 Ų | 98 | 98.8 Ų | 98.8 | 46% | 0.458 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.6 | -30.1 | 177.6 | -67.9 | 177.1 | 14.5 | 0 | 0 | 113.4 | Q278 S279 R286 | Q278-Q282 WeakPolarHBondContact O-CG 3.42Å; Q278-Q282 PolarHBondContact O-N 3.35Å; Q278-Q282 VanDerWaalsContact O-N 3.11Å; S279-Q282 PolarHBondContact O-N 2.88Å; Q282-R286 WeakPolarHBondContact O-CD 3.27Å; Q282-R286 VanDerWaalsContact O-CG 3.24Å; Q282-R286 WeakPolarHBondContact O-CG 3.47Å; Q282-R286 PolarHBondContact O-N 3.4Å |
| 283 | Q | 96.9 | Very high | 97.1 | Very high | 99 Ų | 99 | 101.2 Ų | 101.2 | 46% | 0.463 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.8 | -43.4 | 171.9 | -71.9 | 177.8 | -6.3 | 0 | 0 | 111.1 | S279 L280 R281 R286 M287 | S279-Q283 PolarHBondContact O-N 3.17Å; L280-Q283 PolarHBondContact O-N 2.91Å; R281-Q283 PolarHBondContact O-N 3.23Å; Q283-R286 PolarHBondContact O-N 2.89Å; Q283-M287 WeakPolarHBondContact O-CG 3.41Å; Q283-M287 PolarHBondContact O-N 2.89Å |
| 284 | L | 96.6 | Very high | 97.1 | Very high | 97 Ų | 97 | 98.4 Ų | 98.4 | 51% | 0.508 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62 | -47.1 | 177.6 | -161.2 | 155.9 | 0 | 0 | 0 | 111.2 | L280 R281 R286 M287 E288 | L280-L284 WeakPolarHBondContact O-CB 3.46Å; L280-L284 PolarHBondContact O-N 2.94Å; R281-L284 WeakPolarHBondContact O-CA 3.29Å; R281-L284 WeakPolarHBondContact O-CB 3.28Å; R281-L284 PolarHBondContact O-N 3.16Å; L284-R286 VanDerWaalsContact C-N 3.26Å; L284-R286 PolarHBondContact O-N 3Å; L284-M287 PolarHBondContact O-N 3.4Å; L284-E288 HydrophobicContact CD2-CG 3.94Å; L284-E288 VanDerWaalsContact CD2-OE1 3.28Å; L284-E288 WeakPolarHBondContact CD2-OE1 3.46Å; L284-E288 WeakPolarHBondContact O-CG 3.32Å; L284-E288 PolarHBondContact O-N 3.45Å |
| 285 | D | 97.9 | Very high | 97.1 | Very high | 89 Ų | 89 | 100.1 Ų | 100.1 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.5 | -37.1 | 176.2 | -57.9 | -28.7 | 0 | 0 | 0 | 112.3 | R281 S289 | R281-D285 PolarHBondContact O-N 3.45Å; D285-S289 WeakPolarHBondContact O-CB 3.28Å; D285-S289 PolarHBondContact O-N 3.45Å; D285-S289 VanDerWaalsContact O-N 3.11Å; D285-S289 PolarHBondContact O-OG 3.39Å |
| 286 | R | 97.9 | Very high | 97.2 | Very high | 133 Ų | 133 | 103.4 Ų | 103.4 | 50% | 0.502 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.9 | -49 | 175.4 | -72.7 | 170.2 | -164.1 | 135 | 11 | 111.7 | Q282 Q283 L284 E288 S289 E290 | Q282-R286 WeakPolarHBondContact O-CD 3.27Å; Q282-R286 VanDerWaalsContact O-CG 3.24Å; Q282-R286 WeakPolarHBondContact O-CG 3.47Å; Q282-R286 PolarHBondContact O-N 3.4Å; Q283-R286 PolarHBondContact O-N 2.89Å; L284-R286 VanDerWaalsContact C-N 3.26Å; L284-R286 PolarHBondContact O-N 3Å; R286-E288 VanDerWaalsContact C-N 3.31Å; R286-E288 PolarHBondContact O-N 2.9Å; R286-S289 WeakPolarHBondContact O-CB 3.31Å; R286-S289 PolarHBondContact O-N 2.84Å; R286-S289 VanDerWaalsContact O-N 3.1Å; R286-E290 WeakPolarHBondContact O-CG 3.32Å; R286-E290 PolarHBondContact O-N 2.88Å |
| 287 | M | 96.8 | Very high | 97.3 | Very high | 120 Ų | 120 | 103.2 Ų | 103.2 | 59% | 0.591 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.7 | -38.3 | 178.6 | -66.2 | -57.2 | -56.2 | 0 | 0 | 111.9 | Q283 L284 E290 L291 | Q283-M287 WeakPolarHBondContact O-CG 3.41Å; Q283-M287 PolarHBondContact O-N 2.89Å; L284-M287 PolarHBondContact O-N 3.4Å; M287-E290 PolarHBondContact O-N 2.82Å; M287-L291 VanDerWaalsContact O-CB 3.3Å; M287-L291 WeakPolarHBondContact O-CB 3.35Å; M287-L291 PolarHBondContact O-N 3.49Å |
| 288 | E | 97.7 | Very high | 97.2 | Very high | 99 Ų | 99 | 101.3 Ų | 101.3 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | 173.2 | -74.4 | -173 | 167.2 | 0 | 0 | 111.8 | L284 R286 L291 Q292 | L284-E288 HydrophobicContact CD2-CG 3.94Å; L284-E288 VanDerWaalsContact CD2-OE1 3.28Å; L284-E288 WeakPolarHBondContact CD2-OE1 3.46Å; L284-E288 WeakPolarHBondContact O-CG 3.32Å; L284-E288 PolarHBondContact O-N 3.45Å; R286-E288 VanDerWaalsContact C-N 3.31Å; R286-E288 PolarHBondContact O-N 2.9Å; E288-L291 PolarHBondContact O-N 2.9Å; E288-Q292 VanDerWaalsContact O-CG 3.28Å; E288-Q292 WeakPolarHBondContact O-CG 3.35Å; E288-Q292 PolarHBondContact O-N 3.23Å |
| 289 | S | 97.7 | Very high | 97.2 | Very high | 54 Ų | 54 | 98.3 Ų | 98.3 | 38% | 0.378 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 176.6 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | D285 R286 Q292 Q293 | D285-S289 WeakPolarHBondContact O-CB 3.28Å; D285-S289 PolarHBondContact O-N 3.45Å; D285-S289 VanDerWaalsContact O-N 3.11Å; D285-S289 PolarHBondContact O-OG 3.39Å; R286-S289 WeakPolarHBondContact O-CB 3.31Å; R286-S289 PolarHBondContact O-N 2.84Å; R286-S289 VanDerWaalsContact O-N 3.1Å; S289-Q292 PolarHBondContact O-N 3.02Å; S289-Q293 WeakPolarHBondContact O-CG 3.28Å; S289-Q293 PolarHBondContact O-N 2.96Å |
| 290 | E | 97.4 | Very high | 97.2 | Very high | 111 Ų | 111 | 101 Ų | 101 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 175.3 | -71.8 | 172.9 | -162.4 | 0 | 0 | 111.6 | R286 M287 Q293 S294 | R286-E290 WeakPolarHBondContact O-CG 3.32Å; R286-E290 PolarHBondContact O-N 2.88Å; M287-E290 PolarHBondContact O-N 2.82Å; E290-Q293 PolarHBondContact O-N 3.47Å; E290-S294 WeakPolarHBondContact O-CB 3.16Å; E290-S294 PolarHBondContact O-N 2.89Å |
| 291 | L | 96.7 | Very high | 97.2 | Very high | 99 Ų | 99 | 100.7 Ų | 100.7 | 52% | 0.518 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 174.8 | -178.5 | 63 | 0 | 0 | 0 | 112 | M287 E288 S294 H295 | M287-L291 VanDerWaalsContact O-CB 3.3Å; M287-L291 WeakPolarHBondContact O-CB 3.35Å; M287-L291 PolarHBondContact O-N 3.49Å; E288-L291 PolarHBondContact O-N 2.9Å; L291-S294 PolarHBondContact O-N 3.34Å; L291-H295 PolarHBondContact O-CD2 2.86Å; L291-H295 VanDerWaalsContact O-CD2 3.27Å; L291-H295 PolarHBondContact O-N 3.27Å |
| 292 | Q | 97.9 | Very high | 97.2 | Very high | 116 Ų | 116 | 97 Ų | 97 | 54% | 0.542 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 174.4 | -74.4 | 171.3 | 20.1 | 0 | 0 | 111.3 | E288 S289 S294 H295 E296 | E288-Q292 VanDerWaalsContact O-CG 3.28Å; E288-Q292 WeakPolarHBondContact O-CG 3.35Å; E288-Q292 PolarHBondContact O-N 3.23Å; S289-Q292 PolarHBondContact O-N 3.02Å; Q292-S294 VanDerWaalsContact C-N 3.32Å; Q292-S294 PolarHBondContact O-N 3.39Å; Q292-H295 PolarHBondContact O-N 3.14Å; Q292-H295 VanDerWaalsContact O-N 3.15Å; Q292-E296 WeakPolarHBondContact O-CG 3.3Å; Q292-E296 PolarHBondContact O-N 2.9Å |
| 293 | Q | 97.4 | Very high | 97.2 | Very high | 106 Ų | 106 | 93.7 Ų | 93.7 | 50% | 0.495 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 176.3 | -71 | 173.9 | 30.5 | 0 | 0 | 112.2 | S289 E290 E296 Q297 | S289-Q293 WeakPolarHBondContact O-CG 3.28Å; S289-Q293 PolarHBondContact O-N 2.96Å; E290-Q293 PolarHBondContact O-N 3.47Å; Q293-E296 PolarHBondContact O-N 2.91Å; Q293-Q297 WeakPolarHBondContact O-CB 3.33Å; Q293-Q297 VanDerWaalsContact O-CG 3.23Å; Q293-Q297 WeakPolarHBondContact O-CG 3.47Å; Q293-Q297 PolarHBondContact O-N 2.98Å |
| 294 | S | 94.1 | Very high | 97.3 | Very high | 51 Ų | 51 | 96.8 Ų | 96.8 | 36% | 0.357 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 174.4 | -177.1 | 0 | 0 | 0 | 0 | 112 | E290 L291 Q292 Q297 N298 | E290-S294 WeakPolarHBondContact O-CB 3.16Å; E290-S294 PolarHBondContact O-N 2.89Å; L291-S294 PolarHBondContact O-N 3.34Å; Q292-S294 VanDerWaalsContact C-N 3.32Å; Q292-S294 PolarHBondContact O-N 3.39Å; S294-Q297 PolarHBondContact O-N 3.33Å; S294-N298 WeakPolarHBondContact O-CB 3.29Å; S294-N298 VanDerWaalsContact O-CG 3.31Å; S294-N298 PolarHBondContact O-N 2.9Å; S294-N298 PolarHBondContact O-ND2 2.65Å |
| 295 | H | 97.5 | Very high | 97.3 | Very high | 123 Ų | 123 | 96.7 Ų | 96.7 | 57% | 0.569 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.1 | -41.3 | 173.9 | -80.3 | -55.6 | 0 | 0 | 0 | 112.7 | L291 Q292 N298 G299 | L291-H295 PolarHBondContact O-CD2 2.86Å; L291-H295 VanDerWaalsContact O-CD2 3.27Å; L291-H295 PolarHBondContact O-N 3.27Å; Q292-H295 PolarHBondContact O-N 3.14Å; Q292-H295 VanDerWaalsContact O-N 3.15Å; H295-N298 PolarHBondContact O-N 3.19Å; H295-G299 PolarHBondContact O-N 3.49Å |
| 296 | E | 98.1 | Very high | 97.2 | Very high | 126 Ų | 126 | 96.5 Ų | 96.5 | 59% | 0.589 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.9 | -45.3 | 174.8 | -71.6 | 178.4 | 178.6 | 0 | 0 | 112 | Q292 Q293 G299 Q300 | Q292-E296 WeakPolarHBondContact O-CG 3.3Å; Q292-E296 PolarHBondContact O-N 2.9Å; Q293-E296 PolarHBondContact O-N 2.91Å; E296-G299 PolarHBondContact O-N 3.14Å; E296-Q300 WeakPolarHBondContact O-CG 3.24Å; E296-Q300 PolarHBondContact O-N 2.76Å |
| 297 | Q | 97.9 | Very high | 97.2 | Very high | 114 Ų | 114 | 98 Ų | 98 | 53% | 0.533 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 175.6 | -72.3 | 172 | 21.9 | 0 | 0 | 111.6 | Q293 S294 G299 Q300 L301 | Q293-Q297 WeakPolarHBondContact O-CB 3.33Å; Q293-Q297 VanDerWaalsContact O-CG 3.23Å; Q293-Q297 WeakPolarHBondContact O-CG 3.47Å; Q293-Q297 PolarHBondContact O-N 2.98Å; S294-Q297 PolarHBondContact O-N 3.33Å; Q297-G299 VanDerWaalsContact C-N 3.3Å; Q297-G299 PolarHBondContact O-N 2.86Å; Q297-Q300 WeakPolarHBondContact O-CB 3.3Å; Q297-Q300 PolarHBondContact O-N 3.29Å; Q297-Q300 VanDerWaalsContact O-N 3.15Å; Q297-L301 WeakPolarHBondContact O-CG 3.33Å; Q297-L301 PolarHBondContact O-N 3.24Å |
| 298 | N | 96 | Very high | 97.1 | Very high | 81 Ų | 81 | 94.8 Ų | 94.8 | 43% | 0.433 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.6 | -37.2 | 174.8 | -78.2 | -45.8 | 0 | 0 | 0 | 112.3 | S294 H295 L301 T302 | S294-N298 WeakPolarHBondContact O-CB 3.29Å; S294-N298 VanDerWaalsContact O-CG 3.31Å; S294-N298 PolarHBondContact O-N 2.9Å; S294-N298 PolarHBondContact O-ND2 2.65Å; H295-N298 PolarHBondContact O-N 3.19Å; N298-L301 PolarHBondContact O-N 3.4Å; N298-T302 VanDerWaalsContact O-CB 3.26Å; N298-T302 WeakPolarHBondContact O-CB 3.49Å; N298-T302 PolarHBondContact O-N 3.03Å; N298-T302 PolarHBondContact O-OG1 3.05Å |
| 299 | G | 97.9 | Very high | 97 | Very high | 45 Ų | 45 | 94.7 Ų | 94.7 | 46% | 0.464 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H295 E296 Q297 G303 | H295-G299 PolarHBondContact O-N 3.49Å; E296-G299 PolarHBondContact O-N 3.14Å; Q297-G299 VanDerWaalsContact C-N 3.3Å; Q297-G299 PolarHBondContact O-N 2.86Å; G299-G303 PolarHBondContact O-N 3.08Å |
| 300 | Q | 97.7 | Very high | 97 | Very high | 114 Ų | 114 | 99.8 Ų | 99.8 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 176 | -68.2 | 176.4 | 34.9 | 0 | 0 | 112.4 | E296 Q297 G303 R304 | E296-Q300 WeakPolarHBondContact O-CG 3.24Å; E296-Q300 PolarHBondContact O-N 2.76Å; Q297-Q300 WeakPolarHBondContact O-CB 3.3Å; Q297-Q300 PolarHBondContact O-N 3.29Å; Q297-Q300 VanDerWaalsContact O-N 3.15Å; Q300-G303 PolarHBondContact O-N 2.9Å; Q300-R304 WeakPolarHBondContact O-CG 3.37Å; Q300-R304 PolarHBondContact O-N 3.49Å |
| 301 | L | 96.7 | Very high | 97 | Very high | 101 Ų | 101 | 100.4 Ų | 100.4 | 53% | 0.529 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 177.7 | -69.9 | 175 | 0 | 0 | 0 | 111.4 | Q297 N298 G303 R304 L305 | Q297-L301 WeakPolarHBondContact O-CG 3.33Å; Q297-L301 PolarHBondContact O-N 3.24Å; N298-L301 PolarHBondContact O-N 3.4Å; L301-G303 VanDerWaalsContact C-N 3.27Å; L301-G303 PolarHBondContact O-N 2.95Å; L301-R304 WeakPolarHBondContact O-CB 3.48Å; L301-R304 PolarHBondContact O-N 3.2Å; L301-R304 VanDerWaalsContact O-N 3.07Å; L301-L305 PolarHBondContact O-N 3.01Å |
| 302 | T | 97.1 | Very high | 96.9 | Very high | 62 Ų | 62 | 98.1 Ų | 98.1 | 38% | 0.38 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.6 | -40.9 | 172.4 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | N298 R304 L305 H306 | N298-T302 VanDerWaalsContact O-CB 3.26Å; N298-T302 WeakPolarHBondContact O-CB 3.49Å; N298-T302 PolarHBondContact O-N 3.03Å; N298-T302 PolarHBondContact O-OG1 3.05Å; T302-R304 VanDerWaalsContact C-N 3.34Å; T302-R304 PolarHBondContact O-N 3.48Å; T302-L305 PolarHBondContact O-N 3.19Å; T302-H306 VanDerWaalsContact CG2-CE1 3.43Å; T302-H306 WeakPolarHBondContact CG2-CE1 3.39Å; T302-H306 PolarHBondContact O-N 3.4Å; T302-H306 PolarHBondContact O-ND1 3.02Å |
| 303 | G | 97.6 | Very high | 96.8 | Very high | 28 Ų | 28 | 96.3 Ų | 96.3 | 29% | 0.289 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.7 | -33.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G299 Q300 L301 R307 | G299-G303 PolarHBondContact O-N 3.08Å; Q300-G303 PolarHBondContact O-N 2.9Å; L301-G303 VanDerWaalsContact C-N 3.27Å; L301-G303 PolarHBondContact O-N 2.95Å; G303-R307 WeakPolarHBondContact O-CG 3.32Å |
| 304 | R | 97.9 | Very high | 96.8 | Very high | 163 Ų | 163 | 93.8 Ų | 93.8 | 62% | 0.615 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -73.8 | -43 | 173 | -70.5 | 175.5 | -174.5 | -176.7 | 3.7 | 111.6 | Q300 L301 T302 R307 A308 | Q300-R304 WeakPolarHBondContact O-CG 3.37Å; Q300-R304 PolarHBondContact O-N 3.49Å; L301-R304 WeakPolarHBondContact O-CB 3.48Å; L301-R304 PolarHBondContact O-N 3.2Å; L301-R304 VanDerWaalsContact O-N 3.07Å; T302-R304 VanDerWaalsContact C-N 3.34Å; T302-R304 PolarHBondContact O-N 3.48Å; R304-R307 WeakPolarHBondContact O-CB 3.48Å; R304-R307 PolarHBondContact O-N 2.9Å; R304-A308 PolarHBondContact O-N 3.49Å |
| 305 | L | 96.6 | Very high | 96.9 | Very high | 96 Ų | 96 | 96.2 Ų | 96.2 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -55.4 | -54.2 | 176 | -179.6 | 65.8 | 0 | 0 | 0 | 110.9 | L301 T302 R307 A308 E309 | L301-L305 PolarHBondContact O-N 3.01Å; T302-L305 PolarHBondContact O-N 3.19Å; L305-R307 PolarHBondContact O-N 3.44Å; L305-A308 PolarHBondContact O-N 2.9Å; L305-A308 VanDerWaalsContact O-N 3.09Å; L305-E309 HydrophobicContact CD1-CG 4.42Å; L305-E309 HydrophobicContact CG-CG 4.45Å; L305-E309 WeakPolarHBondContact O-CG 3.5Å; L305-E309 PolarHBondContact O-N 2.91Å |
| 306 | H | 97.5 | Very high | 96.9 | Very high | 85 Ų | 85 | 94 Ų | 94 | 39% | 0.394 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.6 | -20.1 | 177.1 | -65.2 | 157.2 | 0 | 0 | 0 | 113.9 | T302 E309 R310 | T302-H306 VanDerWaalsContact CG2-CE1 3.43Å; T302-H306 WeakPolarHBondContact CG2-CE1 3.39Å; T302-H306 PolarHBondContact O-N 3.4Å; T302-H306 PolarHBondContact O-ND1 3.02Å; H306-E309 IonicContact CD2-OE2 3Å; H306-E309 PolarHBondContact CD2-OE2 2.92Å; H306-R310 VanDerWaalsContact C-NH1 3.32Å; H306-R310 VanDerWaalsContact O-CG 3.27Å; H306-R310 WeakPolarHBondContact O-CG 3.43Å; H306-R310 PolarHBondContact O-NH1 3.02Å |
| 307 | R | 97.8 | Very high | 96.8 | Very high | 165 Ų | 165 | 90.9 Ų | 90.9 | 62% | 0.623 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -79.5 | -49.5 | 172.5 | -71.8 | 173.4 | -167.3 | -179.5 | 3.5 | 110.4 | G303 R304 L305 E309 R310 E311 | G303-R307 WeakPolarHBondContact O-CG 3.32Å; R304-R307 WeakPolarHBondContact O-CB 3.48Å; R304-R307 PolarHBondContact O-N 2.9Å; L305-R307 PolarHBondContact O-N 3.44Å; R307-E309 VanDerWaalsContact C-N 3.29Å; R307-E309 PolarHBondContact O-N 3.06Å; R307-R310 PolarHBondContact O-N 3.02Å; R307-R310 VanDerWaalsContact O-N 3.08Å; R307-E311 WeakPolarHBondContact O-CG 3.49Å; R307-E311 PolarHBondContact O-N 2.81Å |
| 308 | A | 94.2 | Very high | 96.8 | Very high | 52 Ų | 52 | 90.9 Ų | 90.9 | 43% | 0.43 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.9 | -39.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R304 L305 E311 A312 | R304-A308 PolarHBondContact O-N 3.49Å; L305-A308 PolarHBondContact O-N 2.9Å; L305-A308 VanDerWaalsContact O-N 3.09Å; A308-E311 PolarHBondContact O-N 3.03Å; A308-A312 WeakPolarHBondContact O-CB 3.34Å; A308-A312 PolarHBondContact O-N 3.24Å |
| 309 | E | 96.2 | Very high | 96.8 | Very high | 96 Ų | 96 | 91.2 Ų | 91.2 | 45% | 0.449 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 174.7 | -72.1 | 171.8 | 166.6 | 0 | 0 | 113 | L305 H306 R307 S313 | L305-E309 HydrophobicContact CD1-CG 4.42Å; L305-E309 HydrophobicContact CG-CG 4.45Å; L305-E309 WeakPolarHBondContact O-CG 3.5Å; L305-E309 PolarHBondContact O-N 2.91Å; H306-E309 IonicContact CD2-OE2 3Å; H306-E309 PolarHBondContact CD2-OE2 2.92Å; R307-E309 VanDerWaalsContact C-N 3.29Å; R307-E309 PolarHBondContact O-N 3.06Å; E309-S313 WeakPolarHBondContact O-CB 3.48Å; E309-S313 PolarHBondContact O-N 3.29Å; E309-S313 PolarHBondContact O-OG 2.92Å |
| 310 | R | 97.5 | Very high | 96.8 | Very high | 161 Ų | 161 | 92.9 Ų | 92.9 | 61% | 0.608 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.4 | -40.7 | 175.2 | -71.8 | 176.5 | -167.8 | 107.9 | -6.8 | 111.4 | H306 R307 S313 A314 | H306-R310 VanDerWaalsContact C-NH1 3.32Å; H306-R310 VanDerWaalsContact O-CG 3.27Å; H306-R310 WeakPolarHBondContact O-CG 3.43Å; H306-R310 PolarHBondContact O-NH1 3.02Å; R307-R310 PolarHBondContact O-N 3.02Å; R307-R310 VanDerWaalsContact O-N 3.08Å; R310-S313 PolarHBondContact O-N 3.02Å; R310-A314 WeakPolarHBondContact O-CB 3.46Å; R310-A314 PolarHBondContact O-N 3.13Å |
| 311 | E | 97.2 | Very high | 96.7 | Very high | 124 Ų | 124 | 91 Ų | 91 | 58% | 0.579 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.1 | -46.4 | 175.4 | -71.8 | 165 | -159.1 | 0 | 0 | 110.9 | R307 A308 S313 A314 L315 | R307-E311 WeakPolarHBondContact O-CG 3.49Å; R307-E311 PolarHBondContact O-N 2.81Å; A308-E311 PolarHBondContact O-N 3.03Å; E311-S313 PolarHBondContact O-N 3.08Å; E311-A314 PolarHBondContact O-N 2.93Å; E311-L315 WeakPolarHBondContact O-CB 3.49Å; E311-L315 WeakPolarHBondContact O-CG 3.24Å; E311-L315 PolarHBondContact O-N 3.27Å |
| 312 | A | 94.3 | Very high | 96.7 | Very high | 51 Ų | 51 | 91.8 Ų | 91.8 | 42% | 0.421 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A308 T316 | A308-A312 WeakPolarHBondContact O-CB 3.34Å; A308-A312 PolarHBondContact O-N 3.24Å; A312-T316 WeakPolarHBondContact O-CB 3.49Å; A312-T316 PolarHBondContact O-N 3.11Å; A312-T316 PolarHBondContact O-OG1 2.88Å |
| 313 | S | 96.3 | Very high | 96.7 | Very high | 79 Ų | 79 | 94 Ų | 94 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.5 | -42.5 | 175.1 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | E309 R310 E311 T316 A317 | E309-S313 WeakPolarHBondContact O-CB 3.48Å; E309-S313 PolarHBondContact O-N 3.29Å; E309-S313 PolarHBondContact O-OG 2.92Å; R310-S313 PolarHBondContact O-N 3.02Å; E311-S313 PolarHBondContact O-N 3.08Å; S313-T316 PolarHBondContact O-N 3.42Å; S313-A317 PolarHBondContact O-N 3.47Å |
| 314 | A | 97.6 | Very high | 96.7 | Very high | 52 Ų | 52 | 98.2 Ų | 98.2 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R310 E311 T316 A317 Q318 | R310-A314 WeakPolarHBondContact O-CB 3.46Å; R310-A314 PolarHBondContact O-N 3.13Å; E311-A314 PolarHBondContact O-N 2.93Å; A314-T316 VanDerWaalsContact C-N 3.33Å; A314-T316 PolarHBondContact O-N 3.4Å; A314-A317 PolarHBondContact O-N 2.99Å; A314-Q318 WeakPolarHBondContact O-CG 3.3Å; A314-Q318 PolarHBondContact O-N 3.45Å |
| 315 | L | 95.9 | Very high | 96.7 | Very high | 102 Ų | 102 | 93 Ų | 93 | 53% | 0.534 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 174.7 | -71.7 | 172.4 | 0 | 0 | 0 | 111.7 | E311 Q318 I319 | E311-L315 WeakPolarHBondContact O-CB 3.49Å; E311-L315 WeakPolarHBondContact O-CG 3.24Å; E311-L315 PolarHBondContact O-N 3.27Å; L315-Q318 PolarHBondContact O-N 3.32Å; L315-I319 WeakPolarHBondContact O-CB 3.46Å; L315-I319 VanDerWaalsContact O-CG1 3.28Å; L315-I319 WeakPolarHBondContact O-CG1 3.24Å; L315-I319 PolarHBondContact O-N 3.2Å |
| 316 | T | 96.6 | Very high | 96.7 | Very high | 77 Ų | 77 | 93.2 Ų | 93.2 | 47% | 0.472 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 175.3 | -58.9 | 0 | 0 | 0 | 0 | 111 | A312 S313 A314 Q318 I319 D320 | A312-T316 WeakPolarHBondContact O-CB 3.49Å; A312-T316 PolarHBondContact O-N 3.11Å; A312-T316 PolarHBondContact O-OG1 2.88Å; S313-T316 PolarHBondContact O-N 3.42Å; A314-T316 VanDerWaalsContact C-N 3.33Å; A314-T316 PolarHBondContact O-N 3.4Å; T316-Q318 VanDerWaalsContact C-N 3.33Å; T316-Q318 PolarHBondContact O-N 3.12Å; T316-I319 PolarHBondContact O-N 2.85Å; T316-D320 PolarHBondContact O-N 3.41Å |
| 317 | A | 96.5 | Very high | 96.7 | Very high | 61 Ų | 61 | 96.2 Ų | 96.2 | 50% | 0.504 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -37.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | S313 A314 S321 | S313-A317 PolarHBondContact O-N 3.47Å; A314-A317 PolarHBondContact O-N 2.99Å; A317-S321 PolarHBondContact O-N 3.14Å; A317-S321 PolarHBondContact O-OG 2.87Å |
| 318 | Q | 97.8 | Very high | 96.7 | Very high | 114 Ų | 114 | 93.2 Ų | 93.2 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.1 | -41.9 | 172.9 | -73.4 | 178.6 | 1.8 | 0 | 0 | 112.4 | A314 L315 T316 D320 S321 L322 | A314-Q318 WeakPolarHBondContact O-CG 3.3Å; A314-Q318 PolarHBondContact O-N 3.45Å; L315-Q318 PolarHBondContact O-N 3.32Å; T316-Q318 VanDerWaalsContact C-N 3.33Å; T316-Q318 PolarHBondContact O-N 3.12Å; Q318-D320 VanDerWaalsContact C-N 3.31Å; Q318-D320 PolarHBondContact O-N 3.33Å; Q318-S321 PolarHBondContact O-N 2.88Å; Q318-S321 PolarHBondContact O-OG 3.23Å; Q318-L322 WeakPolarHBondContact O-CB 3.41Å; Q318-L322 VanDerWaalsContact O-CG 3.28Å; Q318-L322 WeakPolarHBondContact O-CG 3.17Å; Q318-L322 PolarHBondContact O-N 3.22Å |
| 319 | I | 96.4 | Very high | 96.8 | Very high | 88 Ų | 88 | 95.5 Ų | 95.5 | 45% | 0.451 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 176 | -75.1 | 167.3 | 0 | 0 | 0 | 110.4 | L315 T316 L322 K323 | L315-I319 WeakPolarHBondContact O-CB 3.46Å; L315-I319 VanDerWaalsContact O-CG1 3.28Å; L315-I319 WeakPolarHBondContact O-CG1 3.24Å; L315-I319 PolarHBondContact O-N 3.2Å; T316-I319 PolarHBondContact O-N 2.85Å; I319-L322 PolarHBondContact O-N 2.95Å; I319-K323 HydrophobicContact CG2-CD 4.21Å; I319-K323 WeakPolarHBondContact O-CB 3.1Å; I319-K323 VanDerWaalsContact O-CG 3.26Å; I319-K323 WeakPolarHBondContact O-CG 3.43Å; I319-K323 PolarHBondContact O-N 3.04Å |
| 320 | D | 96.6 | Very high | 96.8 | Very high | 80 Ų | 80 | 94.3 Ų | 94.3 | 43% | 0.428 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -74.3 | -32.4 | -178.8 | -71.2 | -22 | 0 | 0 | 0 | 113.3 | T316 Q318 K323 H324 | T316-D320 PolarHBondContact O-N 3.41Å; Q318-D320 VanDerWaalsContact C-N 3.31Å; Q318-D320 PolarHBondContact O-N 3.33Å; D320-K323 WeakPolarHBondContact OD1-CD 3.28Å; D320-K323 IonicContact OD1-NZ 2.75Å; D320-K323 PolarHBondContact OD1-NZ 3.38Å; D320-H324 PolarHBondContact O-N 2.93Å |
| 321 | S | 97.1 | Very high | 96.8 | Very high | 73 Ų | 73 | 88.8 Ų | 88.8 | 51% | 0.51 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.9 | -41.2 | 170.7 | 71.2 | 0 | 0 | 0 | 0 | 111.9 | A317 Q318 H324 S325 | A317-S321 PolarHBondContact O-N 3.14Å; A317-S321 PolarHBondContact O-OG 2.87Å; Q318-S321 PolarHBondContact O-N 2.88Å; Q318-S321 PolarHBondContact O-OG 3.23Å; S321-H324 PolarHBondContact O-N 3.13Å; S321-H324 VanDerWaalsContact O-N 3.16Å; S321-S325 PolarHBondContact O-N 3.39Å |
| 322 | L | 96.3 | Very high | 96.8 | Very high | 118 Ų | 118 | 85.6 Ų | 85.6 | 62% | 0.618 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.6 | -43.3 | 173.7 | -72.9 | 171.3 | 0 | 0 | 0 | 112.1 | Q318 I319 H324 S325 H326 | Q318-L322 WeakPolarHBondContact O-CB 3.41Å; Q318-L322 VanDerWaalsContact O-CG 3.28Å; Q318-L322 WeakPolarHBondContact O-CG 3.17Å; Q318-L322 PolarHBondContact O-N 3.22Å; I319-L322 PolarHBondContact O-N 2.95Å; L322-H324 PolarHBondContact O-N 2.9Å; L322-S325 PolarHBondContact O-N 3.47Å; L322-H326 WeakPolarHBondContact O-CB 3Å; L322-H326 PolarHBondContact O-N 3.44Å |
| 323 | K | 97.2 | Very high | 96.9 | Very high | 109 Ų | 109 | 87 Ų | 87 | 47% | 0.474 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58 | -37.5 | 171.8 | -75.4 | 171.2 | -166.5 | 155.5 | 0 | 111.8 | I319 D320 K327 | I319-K323 HydrophobicContact CG2-CD 4.21Å; I319-K323 WeakPolarHBondContact O-CB 3.1Å; I319-K323 VanDerWaalsContact O-CG 3.26Å; I319-K323 WeakPolarHBondContact O-CG 3.43Å; I319-K323 PolarHBondContact O-N 3.04Å; D320-K323 WeakPolarHBondContact OD1-CD 3.28Å; D320-K323 IonicContact OD1-NZ 2.75Å; D320-K323 PolarHBondContact OD1-NZ 3.38Å; K323-K327 WeakPolarHBondContact O-CB 3.43Å; K323-K327 VanDerWaalsContact O-CG 3.24Å; K323-K327 WeakPolarHBondContact O-CG 3.41Å; K323-K327 PolarHBondContact O-N 3.43Å; K323-K327 VanDerWaalsContact O-N 3.13Å |
| 324 | H | 97.4 | Very high | 97 | Very high | 116 Ų | 116 | 91.7 Ų | 91.7 | 54% | 0.537 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.7 | -46.5 | 177.7 | -169.8 | 66.9 | 0 | 0 | 0 | 111.6 | D320 S321 L322 H326 K327 L328 | D320-H324 PolarHBondContact O-N 2.93Å; S321-H324 PolarHBondContact O-N 3.13Å; S321-H324 VanDerWaalsContact O-N 3.16Å; L322-H324 PolarHBondContact O-N 2.9Å; H324-H326 PolarHBondContact O-N 2.86Å; H324-K327 PolarHBondContact O-N 3.31Å; H324-L328 WeakPolarHBondContact O-CG 3.49Å; H324-L328 PolarHBondContact O-N 2.74Å |
| 325 | S | 97.7 | Very high | 96.9 | Very high | 54 Ų | 54 | 93.9 Ų | 93.9 | 38% | 0.378 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -54.8 | -51.4 | 174.1 | -163.9 | 0 | 0 | 0 | 0 | 111.3 | S321 L322 K327 L328 E329 | S321-S325 PolarHBondContact O-N 3.39Å; L322-S325 PolarHBondContact O-N 3.47Å; S325-K327 VanDerWaalsContact C-N 3.31Å; S325-K327 PolarHBondContact O-N 3.25Å; S325-L328 WeakPolarHBondContact O-CA 3.28Å; S325-L328 WeakPolarHBondContact O-CB 3.4Å; S325-L328 PolarHBondContact O-N 3.04Å; S325-E329 WeakPolarHBondContact O-CG 3.42Å; S325-E329 PolarHBondContact O-N 3.41Å; S325-E329 PolarHBondContact OG-OE1 3.29Å |
| 326 | H | 96.8 | Very high | 97 | Very high | 101 Ų | 101 | 93.7 Ų | 93.7 | 47% | 0.468 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.1 | -35.8 | -179.6 | -174.1 | 56.8 | 0 | 0 | 0 | 113.1 | L322 H324 E329 L330 | L322-H326 WeakPolarHBondContact O-CB 3Å; L322-H326 PolarHBondContact O-N 3.44Å; H324-H326 PolarHBondContact O-N 2.86Å; H326-E329 IonicContact ND1-OE2 2.68Å; H326-E329 PolarHBondContact O-N 3.14Å; H326-L330 WeakPolarHBondContact NE2-CD1 3.21Å; H326-L330 WeakPolarHBondContact O-CB 3.37Å; H326-L330 VanDerWaalsContact O-CG 3.31Å; H326-L330 WeakPolarHBondContact O-CG 3.37Å; H326-L330 PolarHBondContact O-N 3.39Å |
| 327 | K | 97.8 | Very high | 96.9 | Very high | 147 Ų | 147 | 93.8 Ų | 93.8 | 64% | 0.639 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.6 | -38.1 | 172.7 | -78.2 | 173.1 | -178 | -178.5 | 0 | 112.3 | K323 H324 S325 A331 | K323-K327 WeakPolarHBondContact O-CB 3.43Å; K323-K327 VanDerWaalsContact O-CG 3.24Å; K323-K327 WeakPolarHBondContact O-CG 3.41Å; K323-K327 PolarHBondContact O-N 3.43Å; K323-K327 VanDerWaalsContact O-N 3.13Å; H324-K327 PolarHBondContact O-N 3.31Å; S325-K327 VanDerWaalsContact C-N 3.31Å; S325-K327 PolarHBondContact O-N 3.25Å; K327-A331 WeakPolarHBondContact O-CB 3.28Å; K327-A331 PolarHBondContact O-N 3.1Å; K327-A331 VanDerWaalsContact O-N 3.08Å |
| 328 | L | 97.3 | Very high | 96.9 | Very high | 103 Ų | 103 | 95.8 Ų | 95.8 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.6 | -43.7 | 176 | -66.6 | 173 | 0 | 0 | 0 | 111.4 | H324 S325 A331 S332 | H324-L328 WeakPolarHBondContact O-CG 3.49Å; H324-L328 PolarHBondContact O-N 2.74Å; S325-L328 WeakPolarHBondContact O-CA 3.28Å; S325-L328 WeakPolarHBondContact O-CB 3.4Å; S325-L328 PolarHBondContact O-N 3.04Å; L328-A331 WeakPolarHBondContact O-CB 3.47Å; L328-A331 PolarHBondContact O-N 2.9Å; L328-A331 VanDerWaalsContact O-N 3.17Å; L328-S332 PolarHBondContact O-N 3.18Å |
| 329 | E | 96.6 | Very high | 96.9 | Very high | 99 Ų | 99 | 98 Ų | 98 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.9 | -49.6 | 174.8 | -70.1 | 155.3 | -145.2 | 0 | 0 | 111.4 | S325 H326 A331 S332 V333 | S325-E329 WeakPolarHBondContact O-CG 3.42Å; S325-E329 PolarHBondContact O-N 3.41Å; S325-E329 PolarHBondContact OG-OE1 3.29Å; H326-E329 IonicContact ND1-OE2 2.68Å; H326-E329 PolarHBondContact O-N 3.14Å; E329-A331 VanDerWaalsContact C-N 3.26Å; E329-A331 PolarHBondContact O-N 3.02Å; E329-S332 PolarHBondContact O-N 3.35Å; E329-S332 VanDerWaalsContact O-N 3.13Å; E329-V333 WeakPolarHBondContact O-CG2 3.35Å; E329-V333 PolarHBondContact O-N 2.81Å |
| 330 | L | 96.6 | Very high | 96.9 | Very high | 72 Ų | 72 | 96.9 Ų | 96.9 | 38% | 0.377 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59 | -36.3 | 174.7 | -76.7 | 176.6 | 0 | 0 | 0 | 112.5 | H326 R334 | H326-L330 WeakPolarHBondContact NE2-CD1 3.21Å; H326-L330 WeakPolarHBondContact O-CB 3.37Å; H326-L330 VanDerWaalsContact O-CG 3.31Å; H326-L330 WeakPolarHBondContact O-CG 3.37Å; H326-L330 PolarHBondContact O-N 3.39Å; L330-R334 WeakPolarHBondContact O-CB 3.34Å; L330-R334 WeakPolarHBondContact O-CD 3.46Å; L330-R334 WeakPolarHBondContact O-CG 3.47Å; L330-R334 PolarHBondContact O-N 3.04Å; L330-R334 VanDerWaalsContact O-N 3.08Å |
| 331 | A | 96.7 | Very high | 96.9 | Very high | 45 Ų | 45 | 99.3 Ų | 99.3 | 37% | 0.372 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69 | -41.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K327 L328 E329 R334 L335 | K327-A331 WeakPolarHBondContact O-CB 3.28Å; K327-A331 PolarHBondContact O-N 3.1Å; K327-A331 VanDerWaalsContact O-N 3.08Å; L328-A331 WeakPolarHBondContact O-CB 3.47Å; L328-A331 PolarHBondContact O-N 2.9Å; L328-A331 VanDerWaalsContact O-N 3.17Å; E329-A331 VanDerWaalsContact C-N 3.26Å; E329-A331 PolarHBondContact O-N 3.02Å; A331-R334 PolarHBondContact O-N 2.92Å; A331-L335 VanDerWaalsContact O-CG 3.32Å; A331-L335 WeakPolarHBondContact O-CG 3.28Å; A331-L335 PolarHBondContact O-N 2.88Å |
| 332 | S | 97.4 | Very high | 96.9 | Very high | 57 Ų | 57 | 96.5 Ų | 96.5 | 40% | 0.399 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -52.2 | 175.7 | -159 | 0 | 0 | 0 | 0 | 111.3 | L328 E329 R334 L335 E336 | L328-S332 PolarHBondContact O-N 3.18Å; E329-S332 PolarHBondContact O-N 3.35Å; E329-S332 VanDerWaalsContact O-N 3.13Å; S332-R334 VanDerWaalsContact C-N 3.3Å; S332-R334 PolarHBondContact O-N 3.34Å; S332-L335 WeakPolarHBondContact O-CB 3.24Å; S332-L335 PolarHBondContact O-N 3.34Å; S332-E336 WeakPolarHBondContact O-CG 3.48Å; S332-E336 PolarHBondContact O-N 3.28Å; S332-E336 PolarHBondContact OG-OE1 3.19Å |
| 333 | V | 97.2 | Very high | 96.9 | Very high | 80 Ų | 80 | 94.4 Ų | 94.4 | 49% | 0.485 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.7 | -40.7 | 179.5 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | E329 L335 E336 C337 | E329-V333 WeakPolarHBondContact O-CG2 3.35Å; E329-V333 PolarHBondContact O-N 2.81Å; V333-L335 PolarHBondContact O-N 2.75Å; V333-E336 PolarHBondContact O-N 2.93Å; V333-C337 WeakPolarHBondContact O-CB 3.4Å; V333-C337 PolarHBondContact O-N 3.02Å; V333-C337 PolarHBondContact O-SG 3.4Å |
| 334 | R | 97.3 | Very high | 96.8 | Very high | 177 Ų | 177 | 94.6 Ų | 94.6 | 67% | 0.668 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.1 | -42.4 | 174.1 | -76.8 | 170.7 | -179.1 | -173.8 | 0.6 | 112.5 | L330 A331 S332 C337 V338 | L330-R334 WeakPolarHBondContact O-CB 3.34Å; L330-R334 WeakPolarHBondContact O-CD 3.46Å; L330-R334 WeakPolarHBondContact O-CG 3.47Å; L330-R334 PolarHBondContact O-N 3.04Å; L330-R334 VanDerWaalsContact O-N 3.08Å; A331-R334 PolarHBondContact O-N 2.92Å; S332-R334 VanDerWaalsContact C-N 3.3Å; S332-R334 PolarHBondContact O-N 3.34Å; R334-C337 PolarHBondContact O-N 2.87Å; R334-V338 VanDerWaalsContact O-CG2 3.32Å; R334-V338 WeakPolarHBondContact O-CG2 3.41Å; R334-V338 PolarHBondContact O-N 3.49Å |
| 335 | L | 97 | Very high | 96.6 | Very high | 99 Ų | 99 | 92.3 Ų | 92.3 | 52% | 0.518 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 176.5 | -72.1 | 170.5 | 0 | 0 | 0 | 111.6 | A331 S332 V333 V338 R339 | A331-L335 VanDerWaalsContact O-CG 3.32Å; A331-L335 WeakPolarHBondContact O-CG 3.28Å; A331-L335 PolarHBondContact O-N 2.88Å; S332-L335 WeakPolarHBondContact O-CB 3.24Å; S332-L335 PolarHBondContact O-N 3.34Å; V333-L335 PolarHBondContact O-N 2.75Å; L335-V338 PolarHBondContact O-N 2.9Å; L335-R339 VanDerWaalsContact O-CG 3.28Å; L335-R339 WeakPolarHBondContact O-CG 3.37Å; L335-R339 PolarHBondContact O-N 2.85Å |
| 336 | E | 96.8 | Very high | 96.6 | Very high | 97 Ų | 97 | 96.8 Ų | 96.8 | 45% | 0.453 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 175.1 | -73.2 | 160.4 | -143.9 | 0 | 0 | 111.9 | S332 V333 V338 R339 S340 | S332-E336 WeakPolarHBondContact O-CG 3.48Å; S332-E336 PolarHBondContact O-N 3.28Å; S332-E336 PolarHBondContact OG-OE1 3.19Å; V333-E336 PolarHBondContact O-N 2.93Å; E336-V338 VanDerWaalsContact C-N 3.33Å; E336-V338 PolarHBondContact O-N 3.35Å; E336-R339 PolarHBondContact O-N 3.43Å; E336-S340 WeakPolarHBondContact O-CB 3.32Å; E336-S340 PolarHBondContact O-N 3.49Å |
| 337 | C | 94.6 | Very high | 96.6 | Very high | 79 Ų | 79 | 97.1 Ų | 97.1 | 53% | 0.534 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 173.5 | -68.6 | 0 | 0 | 0 | 0 | 112.4 | V333 R334 K341 | V333-C337 WeakPolarHBondContact O-CB 3.4Å; V333-C337 PolarHBondContact O-N 3.02Å; V333-C337 PolarHBondContact O-SG 3.4Å; R334-C337 PolarHBondContact O-N 2.87Å; C337-K341 VanDerWaalsContact O-CB 3.32Å; C337-K341 WeakPolarHBondContact O-CB 3.39Å; C337-K341 PolarHBondContact O-N 2.84Å |
| 338 | V | 97.4 | Very high | 96.5 | Very high | 103 Ų | 103 | 96.3 Ų | 96.3 | 62% | 0.624 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.3 | -40.7 | 176.9 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | R334 L335 E336 G342 | R334-V338 VanDerWaalsContact O-CG2 3.32Å; R334-V338 WeakPolarHBondContact O-CG2 3.41Å; R334-V338 PolarHBondContact O-N 3.49Å; L335-V338 PolarHBondContact O-N 2.9Å; E336-V338 VanDerWaalsContact C-N 3.33Å; E336-V338 PolarHBondContact O-N 3.35Å; V338-G342 PolarHBondContact O-N 2.79Å |
| 339 | R | 97.4 | Very high | 96.5 | Very high | 160 Ų | 160 | 95.6 Ų | 95.6 | 60% | 0.604 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.9 | -55.7 | 174.3 | -72.4 | 171.7 | -166.4 | 176.2 | 6.6 | 110.9 | L335 E336 K341 G342 D343 | L335-R339 VanDerWaalsContact O-CG 3.28Å; L335-R339 WeakPolarHBondContact O-CG 3.37Å; L335-R339 PolarHBondContact O-N 2.85Å; E336-R339 PolarHBondContact O-N 3.43Å; R339-K341 VanDerWaalsContact C-N 3.3Å; R339-K341 PolarHBondContact O-N 3.48Å; R339-G342 CarbonylContact O-C 3.56Å; R339-G342 WeakPolarHBondContact O-CA 3.45Å; R339-G342 PolarHBondContact O-N 3.01Å; R339-D343 PolarHBondContact O-N 2.86Å |
| 340 | S | 96.1 | Very high | 96.6 | Very high | 66 Ų | 66 | 95 Ų | 95 | 46% | 0.462 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -57 | -41.5 | 179.6 | 173.2 | 0 | 0 | 0 | 0 | 112.1 | E336 G342 D343 M344 | E336-S340 WeakPolarHBondContact O-CB 3.32Å; E336-S340 PolarHBondContact O-N 3.49Å; S340-G342 PolarHBondContact O-N 3.27Å; S340-D343 PolarHBondContact O-N 2.89Å; S340-M344 WeakPolarHBondContact O-CG 3.48Å; S340-M344 PolarHBondContact O-N 3.4Å |
| 341 | K | 96.1 | Very high | 96.5 | Very high | 131 Ų | 131 | 96.6 Ų | 96.6 | 57% | 0.57 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.1 | -45.2 | 173.1 | -171.7 | -177.8 | -175.1 | -101.6 | 0 | 111.9 | C337 R339 D343 M344 E345 | C337-K341 VanDerWaalsContact O-CB 3.32Å; C337-K341 WeakPolarHBondContact O-CB 3.39Å; C337-K341 PolarHBondContact O-N 2.84Å; R339-K341 VanDerWaalsContact C-N 3.3Å; R339-K341 PolarHBondContact O-N 3.48Å; K341-D343 VanDerWaalsContact C-N 3.29Å; K341-D343 PolarHBondContact O-N 2.94Å; K341-M344 PolarHBondContact O-N 3.17Å; K341-E345 WeakPolarHBondContact CE-OE1 3.44Å; K341-E345 IonicContact NZ-OE1 2.71Å; K341-E345 PolarHBondContact NZ-OE1 2.88Å; K341-E345 WeakPolarHBondContact O-CB 3.33Å; K341-E345 VanDerWaalsContact O-CG 3.3Å; K341-E345 WeakPolarHBondContact O-CG 3.3Å; K341-E345 PolarHBondContact O-N 2.96Å |
| 342 | G | 97.3 | Very high | 96.5 | Very high | 14 Ų | 14 | 98.2 Ų | 98.2 | 14% | 0.144 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -65 | -30.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V338 R339 S340 R346 | V338-G342 PolarHBondContact O-N 2.79Å; R339-G342 CarbonylContact O-C 3.56Å; R339-G342 WeakPolarHBondContact O-CA 3.45Å; R339-G342 PolarHBondContact O-N 3.01Å; S340-G342 PolarHBondContact O-N 3.27Å; G342-R346 WeakPolarHBondContact O-CG 3.21Å; G342-R346 PolarHBondContact O-N 3.28Å; G342-R346 VanDerWaalsContact O-N 3.12Å; G342-R346 PolarHBondContact O-NH1 2.86Å |
| 343 | D | 96.4 | Very high | 96.4 | Very high | 73 Ų | 73 | 97.6 Ų | 97.6 | 39% | 0.39 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69 | -49.4 | 173.8 | -56.5 | -30.1 | 0 | 0 | 0 | 110.5 | R339 S340 K341 E345 R346 E347 | R339-D343 PolarHBondContact O-N 2.86Å; S340-D343 PolarHBondContact O-N 2.89Å; K341-D343 VanDerWaalsContact C-N 3.29Å; K341-D343 PolarHBondContact O-N 2.94Å; D343-E345 VanDerWaalsContact C-N 3.31Å; D343-E345 PolarHBondContact O-N 3.1Å; D343-R346 PolarHBondContact O-N 3.47Å; D343-R346 VanDerWaalsContact O-N 3.13Å; D343-R346 IonicContact OD1-CZ 3.64Å; D343-R346 IonicContact OD1-NH1 2.96Å; D343-R346 PolarHBondContact OD1-NH1 3.47Å; D343-R346 IonicContact OD1-NH2 3.88Å; D343-E347 PolarHBondContact O-N 2.82Å |
| 344 | M | 94.4 | Very high | 96.4 | Very high | 114 Ų | 114 | 99.5 Ų | 99.5 | 56% | 0.562 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.5 | -35.4 | 174 | -64.6 | -60.1 | -54.9 | 0 | 0 | 113.1 | S340 K341 E347 R348 | S340-M344 WeakPolarHBondContact O-CG 3.48Å; S340-M344 PolarHBondContact O-N 3.4Å; K341-M344 PolarHBondContact O-N 3.17Å; M344-E347 PolarHBondContact O-N 3.03Å; M344-R348 WeakPolarHBondContact O-CB 3.21Å; M344-R348 PolarHBondContact O-N 2.73Å |
| 345 | E | 94.7 | Very high | 96.3 | Very high | 68 Ų | 68 | 95.8 Ų | 95.8 | 32% | 0.318 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 174.8 | -76.7 | 174.1 | 172.6 | 0 | 0 | 111.4 | K341 D343 R348 D349 | K341-E345 WeakPolarHBondContact CE-OE1 3.44Å; K341-E345 IonicContact NZ-OE1 2.71Å; K341-E345 PolarHBondContact NZ-OE1 2.88Å; K341-E345 WeakPolarHBondContact O-CB 3.33Å; K341-E345 VanDerWaalsContact O-CG 3.3Å; K341-E345 WeakPolarHBondContact O-CG 3.3Å; K341-E345 PolarHBondContact O-N 2.96Å; D343-E345 VanDerWaalsContact C-N 3.31Å; D343-E345 PolarHBondContact O-N 3.1Å; E345-R348 WeakPolarHBondContact O-CB 3.28Å; E345-R348 PolarHBondContact O-N 2.87Å; E345-D349 PolarHBondContact O-N 3.38Å |
| 346 | R | 97 | Very high | 96.2 | Very high | 147 Ų | 147 | 95 Ų | 95 | 56% | 0.555 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.8 | -38.1 | 174.1 | -72 | -176.4 | -124.2 | 96.8 | 3.3 | 112.3 | G342 D343 D349 T350 | G342-R346 WeakPolarHBondContact O-CG 3.21Å; G342-R346 PolarHBondContact O-N 3.28Å; G342-R346 VanDerWaalsContact O-N 3.12Å; G342-R346 PolarHBondContact O-NH1 2.86Å; D343-R346 PolarHBondContact O-N 3.47Å; D343-R346 VanDerWaalsContact O-N 3.13Å; D343-R346 IonicContact OD1-CZ 3.64Å; D343-R346 IonicContact OD1-NH1 2.96Å; D343-R346 PolarHBondContact OD1-NH1 3.47Å; D343-R346 IonicContact OD1-NH2 3.88Å; R346-D349 PolarHBondContact O-N 2.97Å; R346-T350 WeakPolarHBondContact O-CG2 3.37Å; R346-T350 PolarHBondContact O-N 3.14Å; R346-T350 PolarHBondContact O-OG1 2.9Å |
| 347 | E | 96.4 | Very high | 96.2 | Very high | 108 Ų | 108 | 92 Ų | 92 | 51% | 0.505 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 173.7 | -72.4 | -178 | 178 | 0 | 0 | 112.4 | D343 M344 D349 T350 L351 | D343-E347 PolarHBondContact O-N 2.82Å; M344-E347 PolarHBondContact O-N 3.03Å; E347-D349 VanDerWaalsContact C-N 3.33Å; E347-T350 WeakPolarHBondContact CA-OG1 3.3Å; E347-T350 PolarHBondContact O-OG1 3.16Å; E347-L351 WeakPolarHBondContact O-CB 3.49Å; E347-L351 VanDerWaalsContact O-CG 3.24Å; E347-L351 WeakPolarHBondContact O-CG 3.5Å; E347-L351 PolarHBondContact O-N 3.23Å |
| 348 | R | 96.4 | Very high | 96.2 | Very high | 131 Ų | 131 | 93.8 Ų | 93.8 | 49% | 0.494 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 170.3 | 177.2 | -155.5 | 64.3 | -140.8 | -8.7 | 110.7 | M344 E345 L351 Q352 | M344-R348 WeakPolarHBondContact O-CB 3.21Å; M344-R348 PolarHBondContact O-N 2.73Å; E345-R348 WeakPolarHBondContact O-CB 3.28Å; E345-R348 PolarHBondContact O-N 2.87Å; R348-L351 PolarHBondContact O-N 3.32Å; R348-Q352 WeakPolarHBondContact O-CB 3.4Å; R348-Q352 PolarHBondContact O-N 3.49Å |
| 349 | D | 97.3 | Very high | 96.1 | Very high | 87 Ų | 87 | 93.9 Ų | 93.9 | 47% | 0.465 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.7 | -34.1 | -175.5 | -65.1 | -16 | 0 | 0 | 0 | 112.2 | E345 R346 E347 G353 | E345-D349 PolarHBondContact O-N 3.38Å; R346-D349 PolarHBondContact O-N 2.97Å; E347-D349 VanDerWaalsContact C-N 3.33Å; D349-G353 PolarHBondContact O-N 2.9Å |
| 350 | T | 97.3 | Very high | 96.1 | Very high | 86 Ų | 86 | 88.6 Ų | 88.6 | 53% | 0.528 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69.5 | -40.5 | 171.5 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | R346 E347 G353 Q354 | R346-T350 WeakPolarHBondContact O-CG2 3.37Å; R346-T350 PolarHBondContact O-N 3.14Å; R346-T350 PolarHBondContact O-OG1 2.9Å; E347-T350 WeakPolarHBondContact CA-OG1 3.3Å; E347-T350 PolarHBondContact O-OG1 3.16Å; T350-G353 PolarHBondContact O-N 3.35Å; T350-Q354 WeakPolarHBondContact O-CG 3.34Å; T350-Q354 PolarHBondContact O-N 3.41Å |
| 351 | L | 95.2 | Very high | 96 | Very high | 106 Ų | 106 | 90.1 Ų | 90.1 | 56% | 0.555 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.1 | -37.3 | 174.1 | -72.4 | 171.7 | 0 | 0 | 0 | 112.1 | E347 R348 Q354 M355 | E347-L351 WeakPolarHBondContact O-CB 3.49Å; E347-L351 VanDerWaalsContact O-CG 3.24Å; E347-L351 WeakPolarHBondContact O-CG 3.5Å; E347-L351 PolarHBondContact O-N 3.23Å; R348-L351 PolarHBondContact O-N 3.32Å; L351-Q354 PolarHBondContact O-N 2.81Å; L351-M355 WeakPolarHBondContact O-CB 3.42Å; L351-M355 PolarHBondContact O-N 3.4Å |
| 352 | Q | 96.3 | Very high | 95.9 | Very high | 80 Ų | 80 | 87.1 Ų | 87.1 | 37% | 0.374 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.5 | -47.1 | 173.9 | -172 | 62.7 | 52.6 | 0 | 0 | 110.8 | R348 Q354 M355 D356 | R348-Q352 WeakPolarHBondContact O-CB 3.4Å; R348-Q352 PolarHBondContact O-N 3.49Å; Q352-Q354 VanDerWaalsContact C-N 3.26Å; Q352-Q354 PolarHBondContact O-N 2.78Å; Q352-M355 WeakPolarHBondContact O-CA 3.38Å; Q352-M355 WeakPolarHBondContact O-CB 3.42Å; Q352-M355 PolarHBondContact O-N 2.97Å; Q352-D356 PolarHBondContact NE2-OD1 3.22Å; Q352-D356 PolarHBondContact O-N 2.94Å |
| 353 | G | 95.9 | Very high | 95.9 | Very high | 44 Ų | 44 | 91.6 Ų | 91.6 | 45% | 0.454 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.3 | -33.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D349 T350 G357 | D349-G353 PolarHBondContact O-N 2.9Å; T350-G353 PolarHBondContact O-N 3.35Å; G353-G357 PolarHBondContact O-N 3.21Å; G353-G357 VanDerWaalsContact O-N 3.08Å |
| 354 | Q | 96.7 | Very high | 95.8 | Very high | 119 Ų | 119 | 92.8 Ų | 92.8 | 56% | 0.556 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.1 | -41.4 | 171 | -72.8 | 174.6 | 4.8 | 0 | 0 | 112.3 | T350 L351 Q352 G357 L358 | T350-Q354 WeakPolarHBondContact O-CG 3.34Å; T350-Q354 PolarHBondContact O-N 3.41Å; L351-Q354 PolarHBondContact O-N 2.81Å; Q352-Q354 VanDerWaalsContact C-N 3.26Å; Q352-Q354 PolarHBondContact O-N 2.78Å; Q354-G357 PolarHBondContact O-N 2.94Å; Q354-L358 WeakPolarHBondContact O-CB 3.44Å; Q354-L358 WeakPolarHBondContact O-CG 3.49Å; Q354-L358 PolarHBondContact O-N 3.39Å |
| 355 | M | 95 | Very high | 95.8 | Very high | 100 Ų | 100 | 93.1 Ų | 93.1 | 49% | 0.493 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.1 | -47.5 | 176.5 | -166.2 | -164.8 | -38.8 | 0 | 0 | 111.5 | L351 Q352 G357 L358 Q359 | L351-M355 WeakPolarHBondContact O-CB 3.42Å; L351-M355 PolarHBondContact O-N 3.4Å; Q352-M355 WeakPolarHBondContact O-CA 3.38Å; Q352-M355 WeakPolarHBondContact O-CB 3.42Å; Q352-M355 PolarHBondContact O-N 2.97Å; M355-G357 VanDerWaalsContact C-N 3.34Å; M355-G357 PolarHBondContact O-N 2.97Å; M355-L358 PolarHBondContact O-N 3.45Å; M355-Q359 WeakPolarHBondContact O-CB 3.17Å; M355-Q359 PolarHBondContact O-N 3.41Å |
| 356 | D | 96.1 | Very high | 95.8 | Very high | 83 Ų | 83 | 95.8 Ų | 95.8 | 44% | 0.444 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 179.2 | -61.4 | -17.3 | 0 | 0 | 0 | 110.9 | Q352 Q359 A360 | Q352-D356 PolarHBondContact NE2-OD1 3.22Å; Q352-D356 PolarHBondContact O-N 2.94Å; D356-Q359 PolarHBondContact O-N 2.91Å; D356-A360 PolarHBondContact O-N 3.1Å |
| 357 | G | 96.6 | Very high | 95.6 | Very high | 34 Ų | 34 | 90.7 Ų | 90.7 | 35% | 0.351 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.4 | -49 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G353 Q354 M355 Q359 A360 D361 | G353-G357 PolarHBondContact O-N 3.21Å; G353-G357 VanDerWaalsContact O-N 3.08Å; Q354-G357 PolarHBondContact O-N 2.94Å; M355-G357 VanDerWaalsContact C-N 3.34Å; M355-G357 PolarHBondContact O-N 2.97Å; G357-Q359 VanDerWaalsContact C-N 3.28Å; G357-Q359 PolarHBondContact O-N 3.42Å; G357-A360 PolarHBondContact O-N 3.11Å; G357-D361 PolarHBondContact O-N 2.94Å |
| 358 | L | 95 | Very high | 95.5 | Very high | 115 Ų | 115 | 87.3 Ų | 87.3 | 60% | 0.602 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.2 | -34.2 | 175.7 | -72.6 | 171.8 | 0 | 0 | 0 | 112.4 | Q354 M355 D361 V362 | Q354-L358 WeakPolarHBondContact O-CB 3.44Å; Q354-L358 WeakPolarHBondContact O-CG 3.49Å; Q354-L358 PolarHBondContact O-N 3.39Å; M355-L358 PolarHBondContact O-N 3.45Å; L358-D361 PolarHBondContact O-N 2.92Å; L358-V362 VanDerWaalsContact O-CG2 3.31Å; L358-V362 WeakPolarHBondContact O-CG2 3.36Å; L358-V362 PolarHBondContact O-N 3.33Å |
| 359 | Q | 95.6 | Very high | 95.4 | Very high | 106 Ų | 106 | 85.6 Ų | 85.6 | 50% | 0.495 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67 | -44.3 | 175.2 | -176.1 | 175.6 | -31.6 | 0 | 0 | 111.2 | M355 D356 G357 D361 V362 E363 | M355-Q359 WeakPolarHBondContact O-CB 3.17Å; M355-Q359 PolarHBondContact O-N 3.41Å; D356-Q359 PolarHBondContact O-N 2.91Å; G357-Q359 VanDerWaalsContact C-N 3.28Å; G357-Q359 PolarHBondContact O-N 3.42Å; Q359-D361 VanDerWaalsContact C-N 3.35Å; Q359-D361 PolarHBondContact O-N 2.9Å; Q359-V362 PolarHBondContact O-N 2.75Å; Q359-E363 PolarHBondContact NE2-OE1 3.42Å; Q359-E363 WeakPolarHBondContact O-CG 3.45Å; Q359-E363 PolarHBondContact O-N 3.02Å |
| 360 | A | 95.4 | Very high | 95.2 | Very high | 49 Ų | 49 | 85.8 Ų | 85.8 | 41% | 0.405 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.2 | -43 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D356 G357 V362 E363 V364 | D356-A360 PolarHBondContact O-N 3.1Å; G357-A360 PolarHBondContact O-N 3.11Å; A360-V362 VanDerWaalsContact C-N 3.34Å; A360-V362 PolarHBondContact O-N 2.8Å; A360-E363 PolarHBondContact O-N 2.98Å; A360-V364 WeakPolarHBondContact O-CG2 3.35Å; A360-V364 PolarHBondContact O-N 2.99Å |
| 361 | D | 95.9 | Very high | 95.1 | Very high | 98 Ų | 98 | 88.8 Ų | 88.8 | 52% | 0.524 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 174.1 | -76 | -23.7 | 0 | 0 | 0 | 111.8 | G357 L358 Q359 E363 V364 L365 | G357-D361 PolarHBondContact O-N 2.94Å; L358-D361 PolarHBondContact O-N 2.92Å; Q359-D361 VanDerWaalsContact C-N 3.35Å; Q359-D361 PolarHBondContact O-N 2.9Å; D361-E363 VanDerWaalsContact C-N 3.35Å; D361-E363 PolarHBondContact O-N 3.35Å; D361-V364 PolarHBondContact O-N 2.92Å; D361-L365 WeakPolarHBondContact O-CB 3.34Å; D361-L365 VanDerWaalsContact O-CG 3.26Å; D361-L365 WeakPolarHBondContact O-CG 3.5Å; D361-L365 PolarHBondContact O-N 3.27Å |
| 362 | V | 93.9 | Very high | 95 | Very high | 68 Ų | 68 | 88.6 Ų | 88.6 | 41% | 0.412 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 175.6 | 165.6 | 0 | 0 | 0 | 0 | 111.8 | L358 Q359 A360 K366 | L358-V362 VanDerWaalsContact O-CG2 3.31Å; L358-V362 WeakPolarHBondContact O-CG2 3.36Å; L358-V362 PolarHBondContact O-N 3.33Å; Q359-V362 PolarHBondContact O-N 2.75Å; A360-V362 VanDerWaalsContact C-N 3.34Å; A360-V362 PolarHBondContact O-N 2.8Å; V362-K366 HydrophobicContact CG1-CD 4.07Å; V362-K366 WeakPolarHBondContact O-CB 3.48Å; V362-K366 VanDerWaalsContact O-CG 3.23Å; V362-K366 WeakPolarHBondContact O-CG 3.42Å; V362-K366 PolarHBondContact O-N 3.01Å |
| 363 | E | 95.6 | Very high | 94.9 | Very high | 108 Ų | 108 | 89.1 Ų | 89.1 | 51% | 0.505 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.4 | -42.1 | 175.6 | -73 | 174.3 | -162.8 | 0 | 0 | 111.8 | Q359 A360 D361 K366 A367 | Q359-E363 PolarHBondContact NE2-OE1 3.42Å; Q359-E363 WeakPolarHBondContact O-CG 3.45Å; Q359-E363 PolarHBondContact O-N 3.02Å; A360-E363 PolarHBondContact O-N 2.98Å; D361-E363 VanDerWaalsContact C-N 3.35Å; D361-E363 PolarHBondContact O-N 3.35Å; E363-K366 PolarHBondContact O-N 3.46Å; E363-A367 WeakPolarHBondContact O-CB 3.34Å; E363-A367 PolarHBondContact O-N 2.91Å |
| 364 | V | 95.7 | Very high | 94.8 | Very high | 98 Ų | 98 | 92.7 Ų | 92.7 | 59% | 0.594 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.7 | -45.4 | 173.1 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | A360 D361 A367 A368 | A360-V364 WeakPolarHBondContact O-CG2 3.35Å; A360-V364 PolarHBondContact O-N 2.99Å; D361-V364 PolarHBondContact O-N 2.92Å; V364-A367 PolarHBondContact O-N 3.13Å; V364-A368 WeakPolarHBondContact O-CB 3.49Å; V364-A368 PolarHBondContact O-N 3.5Å |
| 365 | L | 93.8 | Very high | 94.7 | Very high | 120 Ų | 120 | 90.6 Ų | 90.6 | 63% | 0.628 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.2 | -40.1 | 177.8 | -73.8 | 172.2 | 0 | 0 | 0 | 112.4 | D361 A368 L369 | D361-L365 WeakPolarHBondContact O-CB 3.34Å; D361-L365 VanDerWaalsContact O-CG 3.26Å; D361-L365 WeakPolarHBondContact O-CG 3.5Å; D361-L365 PolarHBondContact O-N 3.27Å; L365-A368 PolarHBondContact O-N 3.4Å; L365-L369 WeakPolarHBondContact O-CB 3.46Å; L365-L369 PolarHBondContact O-N 3.22Å |
| 366 | K | 94.6 | Very high | 94.5 | Very high | 125 Ų | 125 | 91 Ų | 91 | 54% | 0.543 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.5 | -47.6 | 171.2 | -76.4 | 166.9 | -179 | 170.2 | 0 | 111 | V362 E363 A368 L369 E370 | V362-K366 HydrophobicContact CG1-CD 4.07Å; V362-K366 WeakPolarHBondContact O-CB 3.48Å; V362-K366 VanDerWaalsContact O-CG 3.23Å; V362-K366 WeakPolarHBondContact O-CG 3.42Å; V362-K366 PolarHBondContact O-N 3.01Å; E363-K366 PolarHBondContact O-N 3.46Å; K366-A368 VanDerWaalsContact C-N 3.28Å; K366-A368 PolarHBondContact O-N 2.97Å; K366-L369 WeakPolarHBondContact O-CB 3.46Å; K366-L369 PolarHBondContact O-N 2.91Å; K366-L369 VanDerWaalsContact O-N 3.14Å; K366-E370 PolarHBondContact O-N 3.39Å |
| 367 | A | 93.9 | Very high | 94.4 | Very high | 39 Ų | 39 | 90.8 Ų | 90.8 | 32% | 0.322 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.3 | -29.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E363 V364 R371 | E363-A367 WeakPolarHBondContact O-CB 3.34Å; E363-A367 PolarHBondContact O-N 2.91Å; V364-A367 PolarHBondContact O-N 3.13Å; A367-R371 VanDerWaalsContact O-CG 3.29Å; A367-R371 WeakPolarHBondContact O-CG 3.38Å; A367-R371 PolarHBondContact O-N 2.9Å; A367-R371 PolarHBondContact O-NH1 2.89Å |
| 368 | A | 94.3 | Very high | 94.2 | Very high | 38 Ų | 38 | 94.1 Ų | 94.1 | 31% | 0.314 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.6 | -40.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V364 L365 K366 N372 | V364-A368 WeakPolarHBondContact O-CB 3.49Å; V364-A368 PolarHBondContact O-N 3.5Å; L365-A368 PolarHBondContact O-N 3.4Å; K366-A368 VanDerWaalsContact C-N 3.28Å; K366-A368 PolarHBondContact O-N 2.97Å; A368-N372 WeakPolarHBondContact O-CB 3.41Å; A368-N372 VanDerWaalsContact O-CG 3.24Å; A368-N372 PolarHBondContact O-N 3.44Å; A368-N372 PolarHBondContact O-ND2 2.92Å |
| 369 | L | 93.3 | Very high | 94.1 | Very high | 94 Ų | 94 | 93.6 Ų | 93.6 | 49% | 0.492 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 175.3 | -176 | 73.2 | 0 | 0 | 0 | 111.9 | L365 K366 N372 K373 | L365-L369 WeakPolarHBondContact O-CB 3.46Å; L365-L369 PolarHBondContact O-N 3.22Å; K366-L369 WeakPolarHBondContact O-CB 3.46Å; K366-L369 PolarHBondContact O-N 2.91Å; K366-L369 VanDerWaalsContact O-N 3.14Å; L369-N372 PolarHBondContact O-N 3.04Å; L369-K373 WeakPolarHBondContact O-CG 3.4Å; L369-K373 PolarHBondContact O-N 3.37Å |
| 370 | E | 94.3 | Very high | 93.9 | Very high | 91 Ų | 91 | 94.1 Ų | 94.1 | 43% | 0.425 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 178.4 | -62 | -43.6 | 127.4 | 0 | 0 | 111.8 | K366 N372 K373 E374 | K366-E370 PolarHBondContact O-N 3.39Å; E370-N372 VanDerWaalsContact C-N 3.3Å; E370-N372 PolarHBondContact O-N 3.34Å; E370-K373 WeakPolarHBondContact O-CB 3.34Å; E370-K373 PolarHBondContact O-N 3.36Å; E370-K373 VanDerWaalsContact O-N 3.1Å; E370-K373 IonicContact OE1-NZ 3.22Å; E370-K373 PolarHBondContact OE1-NZ 3.15Å; E370-K373 VanDerWaalsContact OE2-CD 3.26Å; E370-K373 WeakPolarHBondContact OE2-CD 3.48Å; E370-K373 IonicContact OE2-NZ 3.69Å; E370-K373 PolarHBondContact OE2-NZ 2.74Å; E370-E374 WeakPolarHBondContact O-CG 3.41Å; E370-E374 PolarHBondContact O-N 2.9Å |
| 371 | R | 94.6 | Very high | 93.8 | Very high | 150 Ų | 150 | 98.2 Ų | 98.2 | 57% | 0.566 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.1 | -41.2 | 173.1 | -71.8 | 178.2 | -168.6 | 101.6 | -7.4 | 112.4 | A367 E374 V375 | A367-R371 VanDerWaalsContact O-CG 3.29Å; A367-R371 WeakPolarHBondContact O-CG 3.38Å; A367-R371 PolarHBondContact O-N 2.9Å; A367-R371 PolarHBondContact O-NH1 2.89Å; R371-E374 PolarHBondContact O-N 3.06Å; R371-V375 WeakPolarHBondContact O-CG2 3.29Å; R371-V375 PolarHBondContact O-N 3.44Å |
| 372 | N | 93.5 | Very high | 93.5 | Very high | 102 Ų | 102 | 96.8 Ų | 96.8 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66 | -36.8 | 176.6 | -74.2 | -24.4 | 0 | 0 | 0 | 112.1 | A368 L369 E370 L376 | A368-N372 WeakPolarHBondContact O-CB 3.41Å; A368-N372 VanDerWaalsContact O-CG 3.24Å; A368-N372 PolarHBondContact O-N 3.44Å; A368-N372 PolarHBondContact O-ND2 2.92Å; L369-N372 PolarHBondContact O-N 3.04Å; E370-N372 VanDerWaalsContact C-N 3.3Å; E370-N372 PolarHBondContact O-N 3.34Å; N372-L376 WeakPolarHBondContact O-CB 3.28Å; N372-L376 VanDerWaalsContact O-CG 3.28Å; N372-L376 WeakPolarHBondContact O-CG 3.44Å; N372-L376 PolarHBondContact O-N 2.89Å |
| 373 | K | 94 | Very high | 93.2 | Very high | 91 Ų | 91 | 98.9 Ų | 98.9 | 40% | 0.396 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 172 | -70 | 167.9 | 179.8 | 171.2 | 0 | 111.7 | L369 E370 L376 L377 | L369-K373 WeakPolarHBondContact O-CG 3.4Å; L369-K373 PolarHBondContact O-N 3.37Å; E370-K373 WeakPolarHBondContact O-CB 3.34Å; E370-K373 PolarHBondContact O-N 3.36Å; E370-K373 VanDerWaalsContact O-N 3.1Å; E370-K373 IonicContact OE1-NZ 3.22Å; E370-K373 PolarHBondContact OE1-NZ 3.15Å; E370-K373 VanDerWaalsContact OE2-CD 3.26Å; E370-K373 WeakPolarHBondContact OE2-CD 3.48Å; E370-K373 IonicContact OE2-NZ 3.69Å; E370-K373 PolarHBondContact OE2-NZ 2.74Å; K373-L376 PolarHBondContact O-N 2.91Å; K373-L377 WeakPolarHBondContact O-CG 3.24Å; K373-L377 PolarHBondContact O-N 3.41Å |
| 374 | E | 93.9 | Very high | 93 | Very high | 119 Ų | 119 | 97.6 Ų | 97.6 | 56% | 0.556 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -58.4 | -48.7 | 176.1 | -71 | 173.3 | 155.5 | 0 | 0 | 110.9 | E370 R371 L376 L377 E378 | E370-E374 WeakPolarHBondContact O-CG 3.41Å; E370-E374 PolarHBondContact O-N 2.9Å; R371-E374 PolarHBondContact O-N 3.06Å; E374-L376 VanDerWaalsContact C-N 3.33Å; E374-L376 PolarHBondContact O-N 2.97Å; E374-L377 PolarHBondContact O-N 3.09Å; E374-E378 WeakPolarHBondContact O-CG 3.42Å; E374-E378 PolarHBondContact O-N 3.23Å |
| 375 | V | 93.9 | Very high | 92.9 | Very high | 74 Ų | 74 | 100 Ų | 100 | 45% | 0.448 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.4 | -39.9 | 175.6 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | R371 E378 K379 | R371-V375 WeakPolarHBondContact O-CG2 3.29Å; R371-V375 PolarHBondContact O-N 3.44Å; V375-E378 PolarHBondContact O-N 3.45Å; V375-K379 VanDerWaalsContact O-CG 3.28Å; V375-K379 WeakPolarHBondContact O-CG 3.45Å; V375-K379 PolarHBondContact O-N 3.33Å |
| 376 | L | 91.6 | Very high | 92.7 | Very high | 109 Ų | 109 | 100 Ų | 100 | 57% | 0.571 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.1 | -46 | 174.7 | -75.4 | 169.9 | 0 | 0 | 0 | 111.7 | N372 K373 E374 E378 K379 E380 | N372-L376 WeakPolarHBondContact O-CB 3.28Å; N372-L376 VanDerWaalsContact O-CG 3.28Å; N372-L376 WeakPolarHBondContact O-CG 3.44Å; N372-L376 PolarHBondContact O-N 2.89Å; K373-L376 PolarHBondContact O-N 2.91Å; E374-L376 VanDerWaalsContact C-N 3.33Å; E374-L376 PolarHBondContact O-N 2.97Å; L376-E378 VanDerWaalsContact C-N 3.31Å; L376-E378 PolarHBondContact O-N 3.49Å; L376-K379 CarbonylContact O-C 3.57Å; L376-K379 PolarHBondContact O-N 2.98Å; L376-K379 VanDerWaalsContact O-N 3.15Å; L376-E380 WeakPolarHBondContact O-CG 3.33Å; L376-E380 PolarHBondContact O-N 3.43Å |
| 377 | L | 93.8 | Very high | 92.6 | Very high | 79 Ų | 79 | 97.4 Ų | 97.4 | 41% | 0.414 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.8 | -36.2 | 175.8 | -69.8 | 170.7 | 0 | 0 | 0 | 112 | K373 E374 R381 | K373-L377 WeakPolarHBondContact O-CG 3.24Å; K373-L377 PolarHBondContact O-N 3.41Å; E374-L377 PolarHBondContact O-N 3.09Å; L377-R381 WeakPolarHBondContact O-CB 3.5Å; L377-R381 VanDerWaalsContact O-CD 3.31Å; L377-R381 WeakPolarHBondContact O-CD 3.5Å; L377-R381 WeakPolarHBondContact O-CG 3.31Å; L377-R381 PolarHBondContact O-N 3.11Å |
| 378 | E | 92.1 | Very high | 92.2 | Very high | 104 Ų | 104 | 100.1 Ų | 100.1 | 49% | 0.486 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 172.1 | -74.7 | -178.4 | 164.8 | 0 | 0 | 112 | E374 V375 L376 R381 E382 | E374-E378 WeakPolarHBondContact O-CG 3.42Å; E374-E378 PolarHBondContact O-N 3.23Å; V375-E378 PolarHBondContact O-N 3.45Å; L376-E378 VanDerWaalsContact C-N 3.31Å; L376-E378 PolarHBondContact O-N 3.49Å; E378-R381 PolarHBondContact O-N 2.94Å; E378-E382 WeakPolarHBondContact O-CG 3.37Å; E378-E382 PolarHBondContact O-N 3.48Å |
| 379 | K | 92.6 | Very high | 91.9 | Very high | 103 Ų | 103 | 100.6 Ų | 100.6 | 45% | 0.448 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.2 | -39 | 175.3 | -69.2 | -70.2 | 161.2 | -132.5 | 0 | 112.3 | V375 L376 E382 M383 | V375-K379 VanDerWaalsContact O-CG 3.28Å; V375-K379 WeakPolarHBondContact O-CG 3.45Å; V375-K379 PolarHBondContact O-N 3.33Å; L376-K379 CarbonylContact O-C 3.57Å; L376-K379 PolarHBondContact O-N 2.98Å; L376-K379 VanDerWaalsContact O-N 3.15Å; K379-E382 IonicContact NZ-OE1 2.75Å; K379-E382 PolarHBondContact NZ-OE1 2.91Å; K379-E382 IonicContact NZ-OE2 3.17Å; K379-E382 PolarHBondContact NZ-OE2 3.18Å; K379-E382 PolarHBondContact O-N 2.98Å; K379-M383 WeakPolarHBondContact O-CB 3.2Å; K379-M383 VanDerWaalsContact O-CG 3.25Å; K379-M383 WeakPolarHBondContact O-CG 3.44Å; K379-M383 PolarHBondContact O-N 3Å |
| 380 | E | 91.3 | Very high | 91.6 | Very high | 118 Ų | 118 | 98.2 Ų | 98.2 | 55% | 0.551 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.9 | -47.4 | 171 | -73.9 | 176.6 | 179.4 | 0 | 0 | 111.1 | L376 E382 M383 V384 | L376-E380 WeakPolarHBondContact O-CG 3.33Å; L376-E380 PolarHBondContact O-N 3.43Å; E380-E382 PolarHBondContact O-N 2.9Å; E380-M383 PolarHBondContact O-N 2.73Å; E380-V384 WeakPolarHBondContact O-CG2 3.3Å; E380-V384 PolarHBondContact O-N 2.72Å |
| 381 | R | 92.8 | Very high | 91.2 | Very high | 135 Ų | 135 | 101.5 Ų | 101.5 | 51% | 0.509 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 175.4 | -68.3 | 160.3 | -174.9 | 166.9 | 1 | 112.3 | L377 E378 R385 | L377-R381 WeakPolarHBondContact O-CB 3.5Å; L377-R381 VanDerWaalsContact O-CD 3.31Å; L377-R381 WeakPolarHBondContact O-CD 3.5Å; L377-R381 WeakPolarHBondContact O-CG 3.31Å; L377-R381 PolarHBondContact O-N 3.11Å; E378-R381 PolarHBondContact O-N 2.94Å; R381-R385 VanDerWaalsContact O-CG 3.32Å; R381-R385 WeakPolarHBondContact O-CG 3.39Å; R381-R385 PolarHBondContact O-N 3.26Å; R381-R385 PolarHBondContact O-NH1 3.2Å |
| 382 | E | 90.9 | Very high | 90.8 | Very high | 67 Ų | 67 | 99.7 Ų | 99.7 | 31% | 0.313 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 173.1 | -78.3 | 176.9 | -157.5 | 0 | 0 | 112.1 | E378 K379 E380 R385 K386 | E378-E382 WeakPolarHBondContact O-CG 3.37Å; E378-E382 PolarHBondContact O-N 3.48Å; K379-E382 IonicContact NZ-OE1 2.75Å; K379-E382 PolarHBondContact NZ-OE1 2.91Å; K379-E382 IonicContact NZ-OE2 3.17Å; K379-E382 PolarHBondContact NZ-OE2 3.18Å; K379-E382 PolarHBondContact O-N 2.98Å; E380-E382 PolarHBondContact O-N 2.9Å; E382-R385 PolarHBondContact O-N 3.45Å; E382-K386 WeakPolarHBondContact O-CG 3.36Å; E382-K386 PolarHBondContact O-N 3.31Å |
| 383 | M | 87.9 | Confident | 90.5 | Very high | 113 Ų | 113 | 99.9 Ų | 99.9 | 56% | 0.557 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.1 | -40.5 | 178.3 | -71.2 | -62 | -68.8 | 0 | 0 | 111.6 | K379 E380 K386 V387 | K379-M383 WeakPolarHBondContact O-CB 3.2Å; K379-M383 VanDerWaalsContact O-CG 3.25Å; K379-M383 WeakPolarHBondContact O-CG 3.44Å; K379-M383 PolarHBondContact O-N 3Å; E380-M383 PolarHBondContact O-N 2.73Å; M383-K386 PolarHBondContact O-N 2.97Å; M383-K386 HydrophobicContact SD-CD 4.25Å; M383-V387 WeakPolarHBondContact O-CG2 3.42Å; M383-V387 PolarHBondContact O-N 3.07Å |
| 384 | V | 91.2 | Very high | 89.9 | Confident | 80 Ų | 80 | 100.5 Ų | 100.5 | 49% | 0.485 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 172.4 | 169.4 | 0 | 0 | 0 | 0 | 111 | E380 K386 V387 Q388 | E380-V384 WeakPolarHBondContact O-CG2 3.3Å; E380-V384 PolarHBondContact O-N 2.72Å; V384-K386 PolarHBondContact O-N 3.08Å; V384-V387 PolarHBondContact O-N 3.14Å; V384-Q388 HydrophobicContact CG1-CG 4.43Å; V384-Q388 WeakPolarHBondContact O-CB 3.47Å; V384-Q388 WeakPolarHBondContact O-CG 3.33Å; V384-Q388 PolarHBondContact O-N 3.36Å |
| 385 | R | 92.5 | Very high | 89.5 | Confident | 148 Ų | 148 | 101.2 Ų | 101.2 | 56% | 0.558 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.6 | -41.9 | 176.2 | -71.1 | 178.9 | -160.1 | 108.3 | -9.3 | 112.5 | R381 E382 Q388 S389 | R381-R385 VanDerWaalsContact O-CG 3.32Å; R381-R385 WeakPolarHBondContact O-CG 3.39Å; R381-R385 PolarHBondContact O-N 3.26Å; R381-R385 PolarHBondContact O-NH1 3.2Å; E382-R385 PolarHBondContact O-N 3.45Å; R385-Q388 PolarHBondContact O-N 3.03Å; R385-S389 PolarHBondContact O-N 3.01Å |
| 386 | K | 90.9 | Very high | 89.1 | Confident | 122 Ų | 122 | 104.1 Ų | 104.1 | 53% | 0.53 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.2 | -38.3 | 175.3 | -72.7 | 171.4 | -179.9 | 173.4 | 0 | 112.7 | E382 M383 V384 S389 A390 | E382-K386 WeakPolarHBondContact O-CG 3.36Å; E382-K386 PolarHBondContact O-N 3.31Å; M383-K386 PolarHBondContact O-N 2.97Å; M383-K386 HydrophobicContact SD-CD 4.25Å; V384-K386 PolarHBondContact O-N 3.08Å; K386-S389 PolarHBondContact O-OG 3.48Å; K386-A390 VanDerWaalsContact O-CB 3.3Å; K386-A390 WeakPolarHBondContact O-CB 3.23Å; K386-A390 PolarHBondContact O-N 2.88Å |
| 387 | V | 90.8 | Very high | 89 | Confident | 70 Ų | 70 | 103.6 Ų | 103.6 | 42% | 0.424 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.7 | -35.8 | 174.9 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | M383 V384 R391 | M383-V387 WeakPolarHBondContact O-CG2 3.42Å; M383-V387 PolarHBondContact O-N 3.07Å; V384-V387 PolarHBondContact O-N 3.14Å; V387-R391 WeakPolarHBondContact O-CB 3.32Å; V387-R391 VanDerWaalsContact O-CG 3.23Å; V387-R391 WeakPolarHBondContact O-CG 3.49Å; V387-R391 PolarHBondContact O-N 3.36Å |
| 388 | Q | 87.1 | Confident | 88.5 | Confident | 96 Ų | 96 | 105 Ų | 105 | 45% | 0.449 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.5 | -49.7 | 173.7 | -75.1 | 171.1 | -32 | 0 | 0 | 111.5 | V384 R385 A390 R391 E392 | V384-Q388 HydrophobicContact CG1-CG 4.43Å; V384-Q388 WeakPolarHBondContact O-CB 3.47Å; V384-Q388 WeakPolarHBondContact O-CG 3.33Å; V384-Q388 PolarHBondContact O-N 3.36Å; R385-Q388 PolarHBondContact O-N 3.03Å; Q388-A390 VanDerWaalsContact C-N 3.34Å; Q388-A390 PolarHBondContact O-N 2.86Å; Q388-R391 WeakPolarHBondContact O-CB 3.34Å; Q388-R391 PolarHBondContact O-N 2.97Å; Q388-R391 VanDerWaalsContact O-N 3.09Å; Q388-E392 WeakPolarHBondContact O-CG 3.38Å; Q388-E392 PolarHBondContact O-N 3.41Å |
| 389 | S | 88 | Confident | 88.1 | Confident | 48 Ų | 48 | 102.4 Ų | 102.4 | 34% | 0.336 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 178.1 | 70.8 | 0 | 0 | 0 | 0 | 111.8 | R385 K386 R391 E392 E393 | R385-S389 PolarHBondContact O-N 3.01Å; K386-S389 PolarHBondContact O-OG 3.48Å; S389-R391 VanDerWaalsContact C-N 3.34Å; S389-R391 PolarHBondContact O-N 3.31Å; S389-E392 PolarHBondContact O-N 3.23Å; S389-E393 WeakPolarHBondContact O-CB 3.46Å; S389-E393 WeakPolarHBondContact O-CG 3.26Å; S389-E393 PolarHBondContact O-N 3.44Å |
| 390 | A | 87.1 | Confident | 87.8 | Confident | 44 Ų | 44 | 100.6 Ų | 100.6 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.8 | -39.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K386 Q388 E393 E394 | K386-A390 VanDerWaalsContact O-CB 3.3Å; K386-A390 WeakPolarHBondContact O-CB 3.23Å; K386-A390 PolarHBondContact O-N 2.88Å; Q388-A390 VanDerWaalsContact C-N 3.34Å; Q388-A390 PolarHBondContact O-N 2.86Å; A390-E393 PolarHBondContact O-N 3.4Å; A390-E394 WeakPolarHBondContact O-CG 3.48Å; A390-E394 PolarHBondContact O-N 3.14Å |
| 391 | R | 84.7 | Confident | 87.4 | Confident | 160 Ų | 160 | 100.1 Ų | 100.1 | 60% | 0.604 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.4 | -42 | 173.5 | -75.7 | 170.3 | 179.7 | -172.1 | 0.9 | 112 | V387 Q388 S389 E394 F395 | V387-R391 WeakPolarHBondContact O-CB 3.32Å; V387-R391 VanDerWaalsContact O-CG 3.23Å; V387-R391 WeakPolarHBondContact O-CG 3.49Å; V387-R391 PolarHBondContact O-N 3.36Å; Q388-R391 WeakPolarHBondContact O-CB 3.34Å; Q388-R391 PolarHBondContact O-N 2.97Å; Q388-R391 VanDerWaalsContact O-N 3.09Å; S389-R391 VanDerWaalsContact C-N 3.34Å; S389-R391 PolarHBondContact O-N 3.31Å; R391-E394 PolarHBondContact O-N 3.15Å; R391-F395 WeakPolarHBondContact O-CD2 3.35Å; R391-F395 PolarHBondContact O-N 2.94Å |
| 392 | E | 87.4 | Confident | 87 | Confident | 112 Ų | 112 | 98 Ų | 98 | 52% | 0.523 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 176.3 | -73 | 167.2 | -168.8 | 0 | 0 | 111 | Q388 S389 E394 F395 H396 | Q388-E392 WeakPolarHBondContact O-CG 3.38Å; Q388-E392 PolarHBondContact O-N 3.41Å; S389-E392 PolarHBondContact O-N 3.23Å; E392-E394 PolarHBondContact O-N 3Å; E392-F395 PolarHBondContact O-N 3.36Å; E392-H396 PolarHBondContact O-N 2.9Å; E392-H396 PolarHBondContact O-ND1 3.44Å |
| 393 | E | 86.4 | Confident | 86.7 | Confident | 106 Ų | 106 | 100.8 Ų | 100.8 | 50% | 0.495 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 172.5 | -73.7 | 168.1 | -149.3 | 0 | 0 | 112 | S389 A390 H396 K397 | S389-E393 WeakPolarHBondContact O-CB 3.46Å; S389-E393 WeakPolarHBondContact O-CG 3.26Å; S389-E393 PolarHBondContact O-N 3.44Å; A390-E393 PolarHBondContact O-N 3.4Å; E393-H396 PolarHBondContact O-N 2.82Å; E393-K397 WeakPolarHBondContact O-CG 3.47Å; E393-K397 PolarHBondContact O-N 3.16Å |
| 394 | E | 81.1 | Confident | 86.5 | Confident | 103 Ų | 103 | 100.6 Ų | 100.6 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.7 | -37.6 | 173.4 | -66.9 | -52.3 | 129.2 | 0 | 0 | 112.6 | A390 R391 E392 K397 M398 | A390-E394 WeakPolarHBondContact O-CG 3.48Å; A390-E394 PolarHBondContact O-N 3.14Å; R391-E394 PolarHBondContact O-N 3.15Å; E392-E394 PolarHBondContact O-N 3Å; E394-K397 PolarHBondContact O-N 3.16Å; E394-K397 IonicContact OE1-NZ 2.96Å; E394-K397 PolarHBondContact OE1-NZ 2.91Å; E394-M398 WeakPolarHBondContact O-CG 3.26Å; E394-M398 PolarHBondContact O-N 3.09Å |
| 395 | F | 85.6 | Confident | 86.2 | Confident | 134 Ų | 134 | 102.9 Ų | 102.9 | 59% | 0.588 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.9 | -40.2 | 172.7 | -80 | -62 | 0 | 0 | 0 | 112.3 | R391 E392 M398 A399 | R391-F395 WeakPolarHBondContact O-CD2 3.35Å; R391-F395 PolarHBondContact O-N 2.94Å; E392-F395 PolarHBondContact O-N 3.36Å; F395-M398 HydrophobicContact CD1-CE 3.5Å; F395-M398 VanDerWaalsContact CD1-CE 3.5Å; F395-M398 HydrophobicContact CE1-CE 3.76Å; F395-M398 HydrophobicContact CG-CE 4.44Å; F395-M398 PolarHBondContact O-N 3Å; F395-A399 WeakPolarHBondContact O-CB 3.25Å; F395-A399 PolarHBondContact O-N 3.25Å |
| 396 | H | 86.5 | Confident | 85.8 | Confident | 135 Ų | 135 | 99.2 Ų | 99.2 | 63% | 0.625 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64 | -43 | 174.6 | -74.6 | 83.5 | 0 | 0 | 0 | 111.2 | E392 E393 M398 A399 T400 | E392-H396 PolarHBondContact O-N 2.9Å; E392-H396 PolarHBondContact O-ND1 3.44Å; E393-H396 PolarHBondContact O-N 2.82Å; H396-M398 VanDerWaalsContact C-N 3.34Å; H396-M398 PolarHBondContact O-N 3.23Å; H396-A399 WeakPolarHBondContact O-CB 3.42Å; H396-A399 PolarHBondContact O-N 3.37Å; H396-A399 VanDerWaalsContact O-N 3.16Å; H396-T400 PolarHBondContact O-N 2.71Å; H396-T400 PolarHBondContact O-OG1 3.2Å |
| 397 | K | 88.2 | Confident | 85.5 | Confident | 98 Ų | 98 | 98.4 Ų | 98.4 | 43% | 0.426 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.8 | -40.4 | 173.7 | -68 | 167.4 | -161.8 | 169.2 | 0 | 112.4 | E393 E394 T400 L401 | E393-K397 WeakPolarHBondContact O-CG 3.47Å; E393-K397 PolarHBondContact O-N 3.16Å; E394-K397 PolarHBondContact O-N 3.16Å; E394-K397 IonicContact OE1-NZ 2.96Å; E394-K397 PolarHBondContact OE1-NZ 2.91Å; K397-T400 PolarHBondContact O-OG1 3.48Å; K397-L401 WeakPolarHBondContact O-CB 3.36Å; K397-L401 VanDerWaalsContact O-CG 3.25Å; K397-L401 WeakPolarHBondContact O-CG 3.39Å; K397-L401 PolarHBondContact O-N 3.08Å |
| 398 | M | 82.6 | Confident | 85 | Confident | 110 Ų | 110 | 100 Ų | 100 | 54% | 0.542 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.8 | -36.4 | 174.5 | -73.3 | -161.1 | -59.3 | 0 | 0 | 112.3 | E394 F395 H396 H402 | E394-M398 WeakPolarHBondContact O-CG 3.26Å; E394-M398 PolarHBondContact O-N 3.09Å; F395-M398 HydrophobicContact CD1-CE 3.5Å; F395-M398 VanDerWaalsContact CD1-CE 3.5Å; F395-M398 HydrophobicContact CE1-CE 3.76Å; F395-M398 HydrophobicContact CG-CE 4.44Å; F395-M398 PolarHBondContact O-N 3Å; H396-M398 VanDerWaalsContact C-N 3.34Å; H396-M398 PolarHBondContact O-N 3.23Å; M398-H402 WeakPolarHBondContact O-CB 3.49Å; M398-H402 PolarHBondContact O-N 3.03Å |
| 399 | A | 84.9 | Confident | 84.6 | Confident | 48 Ų | 48 | 99.1 Ų | 99.1 | 40% | 0.397 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.3 | -47.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F395 H396 L401 H402 E403 | F395-A399 WeakPolarHBondContact O-CB 3.25Å; F395-A399 PolarHBondContact O-N 3.25Å; H396-A399 WeakPolarHBondContact O-CB 3.42Å; H396-A399 PolarHBondContact O-N 3.37Å; H396-A399 VanDerWaalsContact O-N 3.16Å; A399-L401 PolarHBondContact O-N 3.17Å; A399-H402 WeakPolarHBondContact O-CA 3.48Å; A399-H402 WeakPolarHBondContact O-CB 3.42Å; A399-H402 PolarHBondContact O-N 3.32Å; A399-E403 PolarHBondContact O-N 2.92Å |
| 400 | T | 85.5 | Confident | 84.2 | Confident | 66 Ų | 66 | 101.9 Ų | 101.9 | 41% | 0.405 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 177.1 | 56.3 | 0 | 0 | 0 | 0 | 111.8 | H396 K397 H402 E403 E404 | H396-T400 PolarHBondContact O-N 2.71Å; H396-T400 PolarHBondContact O-OG1 3.2Å; K397-T400 PolarHBondContact O-OG1 3.48Å; T400-H402 PolarHBondContact O-N 3Å; T400-E403 PolarHBondContact O-N 3.3Å; T400-E404 WeakPolarHBondContact O-CB 3.39Å; T400-E404 WeakPolarHBondContact O-CG 3.39Å; T400-E404 PolarHBondContact O-N 2.93Å |
| 401 | L | 83.4 | Confident | 84.1 | Confident | 108 Ų | 108 | 106.7 Ų | 106.7 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63 | -30.3 | 173.5 | -73.4 | 170.1 | 0 | 0 | 0 | 112.6 | K397 A399 R405 | K397-L401 WeakPolarHBondContact O-CB 3.36Å; K397-L401 VanDerWaalsContact O-CG 3.25Å; K397-L401 WeakPolarHBondContact O-CG 3.39Å; K397-L401 PolarHBondContact O-N 3.08Å; A399-L401 PolarHBondContact O-N 3.17Å; L401-R405 WeakPolarHBondContact O-CB 3.49Å; L401-R405 PolarHBondContact O-N 2.84Å; L401-R405 VanDerWaalsContact O-N 3.09Å |
| 402 | H | 84.3 | Confident | 83.8 | Confident | 91 Ų | 91 | 104 Ų | 104 | 42% | 0.421 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -75.5 | -38.6 | 175.8 | -167.1 | 33.2 | 0 | 0 | 0 | 112.2 | M398 A399 T400 R405 L406 | M398-H402 WeakPolarHBondContact O-CB 3.49Å; M398-H402 PolarHBondContact O-N 3.03Å; A399-H402 WeakPolarHBondContact O-CA 3.48Å; A399-H402 WeakPolarHBondContact O-CB 3.42Å; A399-H402 PolarHBondContact O-N 3.32Å; T400-H402 PolarHBondContact O-N 3Å; H402-R405 PolarHBondContact CE1-NH1 3.31Å; H402-R405 WeakPolarHBondContact O-CB 3.43Å; H402-R405 PolarHBondContact O-N 3.33Å; H402-L406 WeakPolarHBondContact O-CG 3.5Å; H402-L406 PolarHBondContact O-N 2.9Å |
| 403 | E | 84.2 | Confident | 83.3 | Confident | 124 Ų | 124 | 100.9 Ų | 100.9 | 58% | 0.579 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.2 | -47.5 | 172 | -70.6 | 174.8 | 166.4 | 0 | 0 | 111.3 | A399 T400 R405 L406 E407 | A399-E403 PolarHBondContact O-N 2.92Å; T400-E403 PolarHBondContact O-N 3.3Å; E403-R405 VanDerWaalsContact C-N 3.28Å; E403-R405 PolarHBondContact O-N 3.03Å; E403-L406 CarbonylContact O-C 3.6Å; E403-L406 WeakPolarHBondContact O-CB 3.31Å; E403-L406 PolarHBondContact O-N 2.84Å; E403-L406 VanDerWaalsContact O-N 3.09Å; E403-E407 PolarHBondContact O-N 3.02Å |
| 404 | E | 83.6 | Confident | 83.1 | Confident | 109 Ų | 109 | 99.3 Ų | 99.3 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.4 | -41.5 | 173.1 | -73.9 | 173.5 | -170.7 | 0 | 0 | 111.9 | T400 E407 L408 | T400-E404 WeakPolarHBondContact O-CB 3.39Å; T400-E404 WeakPolarHBondContact O-CG 3.39Å; T400-E404 PolarHBondContact O-N 2.93Å; E404-E407 PolarHBondContact O-N 3.06Å; E404-L408 WeakPolarHBondContact O-CG 3.44Å; E404-L408 PolarHBondContact O-N 2.74Å |
| 405 | R | 84.6 | Confident | 82.9 | Confident | 128 Ų | 128 | 99.6 Ų | 99.6 | 48% | 0.483 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 174.7 | -170 | -167.1 | 122.4 | -147.8 | -12.6 | 111.6 | L401 H402 E403 E407 L408 E409 | L401-R405 WeakPolarHBondContact O-CB 3.49Å; L401-R405 PolarHBondContact O-N 2.84Å; L401-R405 VanDerWaalsContact O-N 3.09Å; H402-R405 PolarHBondContact CE1-NH1 3.31Å; H402-R405 WeakPolarHBondContact O-CB 3.43Å; H402-R405 PolarHBondContact O-N 3.33Å; E403-R405 VanDerWaalsContact C-N 3.28Å; E403-R405 PolarHBondContact O-N 3.03Å; R405-E407 VanDerWaalsContact C-N 3.34Å; R405-L408 PolarHBondContact O-N 2.74Å; R405-E409 IonicContact CZ-OE1 2.64Å; R405-E409 IonicContact NE-OE1 2.86Å; R405-E409 PolarHBondContact NE-OE1 2.76Å; R405-E409 IonicContact NH2-OE1 3.9Å; R405-E409 PolarHBondContact NH2-OE1 3.31Å; R405-E409 IonicContact NH2-OE2 2.71Å; R405-E409 PolarHBondContact NH2-OE2 3.48Å; R405-E409 WeakPolarHBondContact O-CG 3.39Å; R405-E409 PolarHBondContact O-N 2.93Å |
| 406 | L | 83.9 | Confident | 82.5 | Confident | 72 Ų | 72 | 99.3 Ų | 99.3 | 38% | 0.377 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.5 | -36.6 | 177 | -74.8 | 162.9 | 0 | 0 | 0 | 111.7 | H402 E403 E409 N410 | H402-L406 WeakPolarHBondContact O-CG 3.5Å; H402-L406 PolarHBondContact O-N 2.9Å; E403-L406 CarbonylContact O-C 3.6Å; E403-L406 WeakPolarHBondContact O-CB 3.31Å; E403-L406 PolarHBondContact O-N 2.84Å; E403-L406 VanDerWaalsContact O-N 3.09Å; L406-E409 PolarHBondContact O-N 3.35Å; L406-N410 WeakPolarHBondContact O-CB 3.41Å; L406-N410 VanDerWaalsContact O-CG 3.25Å; L406-N410 PolarHBondContact O-N 3.09Å; L406-N410 PolarHBondContact O-ND2 3.11Å |
| 407 | E | 85.9 | Confident | 82 | Confident | 105 Ų | 105 | 99 Ų | 99 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 171.8 | -74.4 | -165 | -168.7 | 0 | 0 | 112.6 | E403 E404 R405 N410 R411 | E403-E407 PolarHBondContact O-N 3.02Å; E404-E407 PolarHBondContact O-N 3.06Å; R405-E407 VanDerWaalsContact C-N 3.34Å; E407-N410 PolarHBondContact O-N 3.27Å; E407-R411 VanDerWaalsContact O-CG 3.28Å; E407-R411 WeakPolarHBondContact O-CG 3.23Å; E407-R411 PolarHBondContact O-N 3.21Å; E407-R411 IonicContact OE2-CZ 3.77Å; E407-R411 IonicContact OE2-NH2 2.69Å; E407-R411 PolarHBondContact OE2-NH2 3.05Å |
| 408 | L | 80.8 | Confident | 81.5 | Confident | 102 Ų | 102 | 99.9 Ų | 99.9 | 53% | 0.534 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.1 | -40.6 | 175.9 | -68.8 | 171.9 | 0 | 0 | 0 | 111.8 | E404 R405 R411 L412 | E404-L408 WeakPolarHBondContact O-CG 3.44Å; E404-L408 PolarHBondContact O-N 2.74Å; R405-L408 PolarHBondContact O-N 2.74Å; L408-R411 PolarHBondContact O-N 3.22Å; L408-L412 PolarHBondContact O-N 3.35Å |
| 409 | E | 78.1 | Confident | 81.2 | Confident | 79 Ų | 79 | 103.2 Ų | 103.2 | 37% | 0.369 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 172.7 | -73.7 | 173.3 | -179.7 | 0 | 0 | 111.5 | R405 L406 L412 A413 | R405-E409 IonicContact CZ-OE1 2.64Å; R405-E409 IonicContact NE-OE1 2.86Å; R405-E409 PolarHBondContact NE-OE1 2.76Å; R405-E409 IonicContact NH2-OE1 3.9Å; R405-E409 PolarHBondContact NH2-OE1 3.31Å; R405-E409 IonicContact NH2-OE2 2.71Å; R405-E409 PolarHBondContact NH2-OE2 3.48Å; R405-E409 WeakPolarHBondContact O-CG 3.39Å; R405-E409 PolarHBondContact O-N 2.93Å; L406-E409 PolarHBondContact O-N 3.35Å; E409-L412 WeakPolarHBondContact O-CB 3.37Å; E409-L412 PolarHBondContact O-N 3.2Å; E409-A413 PolarHBondContact O-N 3.36Å |
| 410 | N | 80.3 | Confident | 80.7 | Confident | 105 Ų | 105 | 103.6 Ų | 103.6 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.3 | -38.6 | 175.3 | -75.9 | -43.5 | 0 | 0 | 0 | 112.7 | L406 E407 L412 A413 V414 | L406-N410 WeakPolarHBondContact O-CB 3.41Å; L406-N410 VanDerWaalsContact O-CG 3.25Å; L406-N410 PolarHBondContact O-N 3.09Å; L406-N410 PolarHBondContact O-ND2 3.11Å; E407-N410 PolarHBondContact O-N 3.27Å; N410-L412 VanDerWaalsContact C-N 3.33Å; N410-A413 PolarHBondContact O-N 3.15Å; N410-V414 WeakPolarHBondContact O-CG2 3.41Å; N410-V414 PolarHBondContact O-N 3.26Å |
| 411 | R | 84.4 | Confident | 80.2 | Confident | 145 Ų | 145 | 105.6 Ų | 105.6 | 55% | 0.547 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -37.3 | 174.6 | -71.6 | 171 | -161.9 | 176.5 | 11.1 | 111.7 | E407 L408 L415 | E407-R411 VanDerWaalsContact O-CG 3.28Å; E407-R411 WeakPolarHBondContact O-CG 3.23Å; E407-R411 PolarHBondContact O-N 3.21Å; E407-R411 IonicContact OE2-CZ 3.77Å; E407-R411 IonicContact OE2-NH2 2.69Å; E407-R411 PolarHBondContact OE2-NH2 3.05Å; L408-R411 PolarHBondContact O-N 3.22Å; R411-L415 WeakPolarHBondContact O-CG 3.45Å; R411-L415 PolarHBondContact O-N 3.43Å |
| 412 | L | 77.6 | Confident | 79.8 | Confident | 103 Ų | 103 | 107 Ų | 107 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61 | -49.6 | 170.7 | -93.2 | 159 | 0 | 0 | 0 | 111.4 | L408 E409 N410 V414 L415 E416 | L408-L412 PolarHBondContact O-N 3.35Å; E409-L412 WeakPolarHBondContact O-CB 3.37Å; E409-L412 PolarHBondContact O-N 3.2Å; N410-L412 VanDerWaalsContact C-N 3.33Å; L412-V414 VanDerWaalsContact C-N 3.3Å; L412-V414 PolarHBondContact O-N 3.38Å; L412-L415 WeakPolarHBondContact O-CB 3.41Å; L412-L415 PolarHBondContact O-N 3.19Å; L412-E416 WeakPolarHBondContact O-CG 3.33Å; L412-E416 PolarHBondContact O-N 3.14Å |
| 413 | A | 78.3 | Confident | 79.2 | Confident | 47 Ų | 47 | 106.7 Ų | 106.7 | 39% | 0.388 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59 | -37.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E409 N410 E416 Q417 | E409-A413 PolarHBondContact O-N 3.36Å; N410-A413 PolarHBondContact O-N 3.15Å; A413-E416 PolarHBondContact O-N 2.69Å; A413-Q417 WeakPolarHBondContact O-CB 3.45Å; A413-Q417 PolarHBondContact O-N 3.04Å |
| 414 | V | 81.4 | Confident | 78.4 | Confident | 74 Ų | 74 | 103.7 Ų | 103.7 | 45% | 0.448 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.9 | -38.2 | 174.9 | 171.4 | 0 | 0 | 0 | 0 | 112.1 | N410 L412 Q417 Q418 | N410-V414 WeakPolarHBondContact O-CG2 3.41Å; N410-V414 PolarHBondContact O-N 3.26Å; L412-V414 VanDerWaalsContact C-N 3.3Å; L412-V414 PolarHBondContact O-N 3.38Å; V414-Q417 PolarHBondContact O-N 3.3Å; V414-Q418 WeakPolarHBondContact O-CG 3.39Å; V414-Q418 PolarHBondContact O-N 2.91Å |
| 415 | L | 76.8 | Confident | 77.9 | Confident | 109 Ų | 109 | 101.5 Ų | 101.5 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.4 | -38.5 | 175.3 | -69.7 | 168.5 | 0 | 0 | 0 | 111.8 | R411 L412 Q417 Q418 R419 | R411-L415 WeakPolarHBondContact O-CG 3.45Å; R411-L415 PolarHBondContact O-N 3.43Å; L412-L415 WeakPolarHBondContact O-CB 3.41Å; L412-L415 PolarHBondContact O-N 3.19Å; L415-Q417 VanDerWaalsContact C-N 3.34Å; L415-Q418 PolarHBondContact O-N 3.34Å; L415-R419 PolarHBondContact O-N 3.48Å; L415-R419 VanDerWaalsContact O-N 3.1Å |
| 416 | E | 77.1 | Confident | 76.9 | Confident | 128 Ų | 128 | 100.3 Ų | 100.3 | 60% | 0.598 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.6 | -39.9 | 171.9 | -69.5 | 179.3 | 158.4 | 0 | 0 | 111.5 | L412 A413 R419 A420 | L412-E416 WeakPolarHBondContact O-CG 3.33Å; L412-E416 PolarHBondContact O-N 3.14Å; A413-E416 PolarHBondContact O-N 2.69Å; E416-R419 WeakPolarHBondContact O-CB 3.36Å; E416-R419 PolarHBondContact O-N 2.84Å; E416-A420 WeakPolarHBondContact O-CB 3.27Å; E416-A420 PolarHBondContact O-N 3.16Å |
| 417 | Q | 76.3 | Confident | 76.1 | Confident | 127 Ų | 127 | 102 Ų | 102 | 59% | 0.593 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.5 | -38.1 | 175.9 | -167.8 | 176.6 | 19.4 | 0 | 0 | 112.6 | A413 V414 L415 R419 A420 L421 | A413-Q417 WeakPolarHBondContact O-CB 3.45Å; A413-Q417 PolarHBondContact O-N 3.04Å; V414-Q417 PolarHBondContact O-N 3.3Å; L415-Q417 VanDerWaalsContact C-N 3.34Å; Q417-R419 VanDerWaalsContact C-N 3.33Å; Q417-A420 PolarHBondContact O-N 3.39Å; Q417-L421 WeakPolarHBondContact O-CG 3.39Å; Q417-L421 PolarHBondContact O-N 3.08Å |
| 418 | Q | 76.7 | Confident | 75.3 | Confident | 117 Ų | 117 | 99.2 Ų | 99.2 | 55% | 0.547 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 172.9 | -75.8 | 178.8 | -4.5 | 0 | 0 | 111.9 | V414 L415 L421 Q422 | V414-Q418 WeakPolarHBondContact O-CG 3.39Å; V414-Q418 PolarHBondContact O-N 2.91Å; L415-Q418 PolarHBondContact O-N 3.34Å; Q418-L421 PolarHBondContact O-N 2.91Å; Q418-Q422 PolarHBondContact O-N 2.64Å; Q418-Q422 VanDerWaalsContact O-N 3.14Å |
| 419 | R | 76.7 | Confident | 74.5 | Confident | 180 Ų | 180 | 99.8 Ų | 99.8 | 68% | 0.679 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.1 | -45.6 | 174.4 | -170.9 | 178.3 | -176.5 | 175.8 | 2.4 | 111.8 | L415 E416 Q417 L421 Q422 D423 | L415-R419 PolarHBondContact O-N 3.48Å; L415-R419 VanDerWaalsContact O-N 3.1Å; E416-R419 WeakPolarHBondContact O-CB 3.36Å; E416-R419 PolarHBondContact O-N 2.84Å; Q417-R419 VanDerWaalsContact C-N 3.33Å; R419-L421 VanDerWaalsContact C-N 3.3Å; R419-L421 PolarHBondContact O-N 3.14Å; R419-Q422 WeakPolarHBondContact O-CB 3.35Å; R419-Q422 PolarHBondContact O-N 2.94Å; R419-Q422 VanDerWaalsContact O-N 3.09Å; R419-D423 PolarHBondContact O-N 3.08Å |
| 420 | A | 74.3 | Confident | 73.9 | Confident | 56 Ų | 56 | 103 Ų | 103 | 46% | 0.463 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.6 | -35.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E416 Q417 S424 | E416-A420 WeakPolarHBondContact O-CB 3.27Å; E416-A420 PolarHBondContact O-N 3.16Å; Q417-A420 PolarHBondContact O-N 3.39Å; A420-S424 VanDerWaalsContact O-CB 3.32Å; A420-S424 WeakPolarHBondContact O-CB 3.49Å; A420-S424 PolarHBondContact O-N 3.28Å |
| 421 | L | 76 | Confident | 73.1 | Confident | 109 Ų | 109 | 102.1 Ų | 102.1 | 57% | 0.571 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.6 | -39.1 | 173.2 | -74.9 | 168.3 | 0 | 0 | 0 | 111.9 | Q417 Q418 R419 S424 S425 | Q417-L421 WeakPolarHBondContact O-CG 3.39Å; Q417-L421 PolarHBondContact O-N 3.08Å; Q418-L421 PolarHBondContact O-N 2.91Å; R419-L421 VanDerWaalsContact C-N 3.3Å; R419-L421 PolarHBondContact O-N 3.14Å; L421-S424 WeakPolarHBondContact CA-OG 3.33Å; L421-S424 PolarHBondContact O-N 2.69Å; L421-S424 PolarHBondContact O-OG 2.94Å; L421-S425 PolarHBondContact O-N 3.42Å; L421-S425 VanDerWaalsContact O-N 3.17Å |
| 422 | Q | 73.8 | Confident | 72.4 | Confident | 136 Ų | 136 | 101.5 Ų | 101.5 | 64% | 0.636 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.3 | -48.2 | 176.7 | -161 | 165.6 | 7.1 | 0 | 0 | 111.2 | Q418 R419 S424 S425 D426 | Q418-Q422 PolarHBondContact O-N 2.64Å; Q418-Q422 VanDerWaalsContact O-N 3.14Å; R419-Q422 WeakPolarHBondContact O-CB 3.35Å; R419-Q422 PolarHBondContact O-N 2.94Å; R419-Q422 VanDerWaalsContact O-N 3.09Å; Q422-S424 VanDerWaalsContact C-N 3.28Å; Q422-S424 PolarHBondContact O-N 3.22Å; Q422-S425 PolarHBondContact O-N 3.38Å; Q422-S425 VanDerWaalsContact O-N 3.09Å; Q422-S425 PolarHBondContact O-OG 2.93Å; Q422-D426 PolarHBondContact O-N 3.49Å |
| 423 | D | 72.6 | Confident | 71.2 | Confident | 86 Ų | 86 | 105.9 Ų | 105.9 | 46% | 0.46 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58 | -40.2 | 173.7 | -65.4 | -30.1 | 0 | 0 | 0 | 111.2 | R419 S425 D426 Q427 | R419-D423 PolarHBondContact O-N 3.08Å; D423-S425 VanDerWaalsContact C-N 3.28Å; D423-S425 PolarHBondContact O-N 3.43Å; D423-D426 PolarHBondContact O-N 3.26Å; D423-Q427 PolarHBondContact O-N 3.3Å |
| 424 | S | 67.9 | Low | 70.5 | Confident | 61 Ų | 61 | 108.4 Ų | 108.4 | 43% | 0.427 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.2 | -28.8 | 177.3 | 78.2 | 0 | 0 | 0 | 0 | 114.1 | A420 L421 Q422 Q427 A428 | A420-S424 VanDerWaalsContact O-CB 3.32Å; A420-S424 WeakPolarHBondContact O-CB 3.49Å; A420-S424 PolarHBondContact O-N 3.28Å; L421-S424 WeakPolarHBondContact CA-OG 3.33Å; L421-S424 PolarHBondContact O-N 2.69Å; L421-S424 PolarHBondContact O-OG 2.94Å; Q422-S424 VanDerWaalsContact C-N 3.28Å; Q422-S424 PolarHBondContact O-N 3.22Å; S424-Q427 WeakPolarHBondContact O-CB 3.35Å; S424-Q427 PolarHBondContact O-N 2.87Å; S424-A428 PolarHBondContact O-N 3.24Å |
| 425 | S | 71.8 | Confident | 69.5 | Low | 63 Ų | 63 | 110.9 Ų | 110.9 | 44% | 0.441 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -74.1 | -34.5 | 177.4 | 71.2 | 0 | 0 | 0 | 0 | 112.7 | L421 Q422 D423 Q427 | L421-S425 PolarHBondContact O-N 3.42Å; L421-S425 VanDerWaalsContact O-N 3.17Å; Q422-S425 PolarHBondContact O-N 3.38Å; Q422-S425 VanDerWaalsContact O-N 3.09Å; Q422-S425 PolarHBondContact O-OG 2.93Å; D423-S425 VanDerWaalsContact C-N 3.28Å; D423-S425 PolarHBondContact O-N 3.43Å; S425-Q427 VanDerWaalsContact C-N 3.31Å |
| 426 | D | 63.9 | Low | 68.6 | Low | 102 Ų | 102 | 115.1 Ų | 115.1 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -73.2 | -24.8 | 171 | -73.7 | -22.6 | 0 | 0 | 0 | 112 | Q422 D423 | Q422-D426 PolarHBondContact O-N 3.49Å; D423-D426 PolarHBondContact O-N 3.26Å |
| 427 | Q | 67.3 | Low | 67.5 | Low | 109 Ų | 109 | 116 Ų | 116 | 51% | 0.509 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -73.3 | -46.6 | 173.3 | -139.2 | 97.6 | 0.2 | 0 | 0 | 111.9 | D423 S424 S425 L429 K430 E431 | D423-Q427 PolarHBondContact O-N 3.3Å; S424-Q427 WeakPolarHBondContact O-CB 3.35Å; S424-Q427 PolarHBondContact O-N 2.87Å; S425-Q427 VanDerWaalsContact C-N 3.31Å; Q427-L429 VanDerWaalsContact C-N 3.3Å; Q427-L429 PolarHBondContact O-N 2.88Å; Q427-K430 WeakPolarHBondContact O-CA 3.5Å; Q427-K430 WeakPolarHBondContact O-CB 3.37Å; Q427-K430 PolarHBondContact O-N 3Å; Q427-E431 PolarHBondContact O-N 3.38Å |
| 428 | A | 69.3 | Low | 66.8 | Low | 46 Ų | 46 | 115.3 Ų | 115.3 | 38% | 0.38 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -58.7 | -39.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S424 K430 E431 E432 | S424-A428 PolarHBondContact O-N 3.24Å; A428-K430 PolarHBondContact O-N 2.89Å; A428-E431 PolarHBondContact O-N 3.23Å; A428-E431 VanDerWaalsContact O-N 3.14Å; A428-E432 PolarHBondContact O-N 3.48Å; A428-E432 VanDerWaalsContact O-N 3.08Å |
| 429 | L | 64.7 | Low | 66.2 | Low | 114 Ų | 114 | 115.1 Ų | 115.1 | 60% | 0.597 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.9 | -16.4 | 174.6 | -76.5 | 170.9 | 0 | 0 | 0 | 114.3 | Q427 W433 | Q427-L429 VanDerWaalsContact C-N 3.3Å; Q427-L429 PolarHBondContact O-N 2.88Å; L429-W433 VanDerWaalsContact O-CD1 3.25Å |
| 430 | K | 64.4 | Low | 65 | Low | 145 Ų | 145 | 110.9 Ų | 110.9 | 63% | 0.63 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -91.3 | -40.4 | 169.4 | -71.3 | 171.6 | 178.2 | 163.7 | 0 | 111.6 | Q427 A428 E432 W433 | Q427-K430 WeakPolarHBondContact O-CA 3.5Å; Q427-K430 WeakPolarHBondContact O-CB 3.37Å; Q427-K430 PolarHBondContact O-N 3Å; A428-K430 PolarHBondContact O-N 2.89Å; K430-E432 VanDerWaalsContact C-N 3.35Å; K430-E432 PolarHBondContact O-N 3.45Å; K430-W433 WeakPolarHBondContact O-CB 3.3Å; K430-W433 PolarHBondContact O-N 3.28Å; K430-W433 VanDerWaalsContact O-N 3.11Å |
| 431 | E | 63.6 | Low | 64 | Low | 87 Ų | 87 | 115.5 Ų | 115.5 | 41% | 0.407 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.2 | -31.6 | -176.2 | -69.3 | 178.4 | 159.3 | 0 | 0 | 112.9 | Q427 A428 W433 E434 E435 | Q427-E431 PolarHBondContact O-N 3.38Å; A428-E431 PolarHBondContact O-N 3.23Å; A428-E431 VanDerWaalsContact O-N 3.14Å; E431-W433 PolarHBondContact O-N 3.16Å; E431-W433 VanDerWaalsContact O-N 3.16Å; E431-E434 PolarHBondContact O-N 3.29Å; E431-E435 PolarHBondContact O-N 2.92Å |
| 432 | E | 70.1 | Confident | 63.1 | Low | 132 Ų | 132 | 119.5 Ų | 119.5 | 62% | 0.617 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -57 | -27.9 | 170.8 | -75 | -170.4 | 158.9 | 0 | 0 | 113.7 | A428 K430 | A428-E432 PolarHBondContact O-N 3.48Å; A428-E432 VanDerWaalsContact O-N 3.08Å; K430-E432 VanDerWaalsContact C-N 3.35Å; K430-E432 PolarHBondContact O-N 3.45Å |
| 433 | W | 52.2 | Low | 62.1 | Low | 196 Ų | 196 | 117.1 Ų | 117.1 | 74% | 0.742 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -81.6 | -22.4 | 174.4 | -67 | 99.6 | 0 | 0 | 0 | 113 | L429 K430 E431 | L429-W433 VanDerWaalsContact O-CD1 3.25Å; K430-W433 WeakPolarHBondContact O-CB 3.3Å; K430-W433 PolarHBondContact O-N 3.28Å; K430-W433 VanDerWaalsContact O-N 3.11Å; E431-W433 PolarHBondContact O-N 3.16Å; E431-W433 VanDerWaalsContact O-N 3.16Å |
| 434 | E | 63.7 | Low | 60.8 | Low | 100 Ų | 100 | 121.2 Ų | 121.2 | 47% | 0.467 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -94.3 | -31.5 | -179 | -65.4 | -169.6 | -172.7 | 0 | 0 | 113.8 | E431 R436 L437 R438 | E431-E434 PolarHBondContact O-N 3.29Å; E434-R436 PolarHBondContact O-N 2.94Å; E434-L437 VanDerWaalsContact O-CB 3.25Å; E434-L437 WeakPolarHBondContact O-CB 3.43Å; E434-L437 PolarHBondContact O-N 3.35Å; E434-R438 IonicContact OE2-CZ 3.68Å; E434-R438 IonicContact OE2-NH2 3.88Å; E434-R438 PolarHBondContact OE2-NH2 2.85Å |
| 435 | E | 59.7 | Low | 59.7 | Low | 125 Ų | 125 | 127 Ų | 127 | 58% | 0.584 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68.2 | -20.8 | -178.6 | -72.4 | -159.6 | 134.6 | 0 | 0 | 113.7 | E431 L437 R438 | E431-E435 PolarHBondContact O-N 2.92Å; E435-L437 PolarHBondContact O-N 3.26Å; E435-L437 VanDerWaalsContact O-N 3.1Å; E435-R438 PolarHBondContact O-N 2.89Å |
| 436 | R | 58.9 | Low | 58.9 | Low | 199 Ų | 199 | 129.1 Ų | 129.1 | 75% | 0.751 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -60.8 | -13.7 | 166.9 | -69.3 | -176.4 | 178.4 | 164.8 | 4.1 | 113.5 | E434 | E434-R436 PolarHBondContact O-N 2.94Å |
| 437 | L | 53.8 | Low | 57.9 | Low | 145 Ų | 145 | 132 Ų | 132 | 76% | 0.759 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -104.7 | -27.6 | -178 | -162.8 | 67.1 | 0 | 0 | 0 | 113.8 | E434 E435 | E434-L437 VanDerWaalsContact O-CB 3.25Å; E434-L437 WeakPolarHBondContact O-CB 3.43Å; E434-L437 PolarHBondContact O-N 3.35Å; E435-L437 PolarHBondContact O-N 3.26Å; E435-L437 VanDerWaalsContact O-N 3.1Å |
| 438 | R | 61 | Low | 56.5 | Low | 114 Ų | 114 | 138.8 Ų | 138.8 | 43% | 0.43 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -92.4 | -21.5 | -169.2 | -58.6 | -170.9 | -148.6 | 132.5 | -2.3 | 115.8 | E434 E435 A440 Q441 | E434-R438 IonicContact OE2-CZ 3.68Å; E434-R438 IonicContact OE2-NH2 3.88Å; E434-R438 PolarHBondContact OE2-NH2 2.85Å; E435-R438 PolarHBondContact O-N 2.89Å; R438-A440 PolarHBondContact O-N 3.01Å; R438-Q441 PolarHBondContact O-N 2.74Å |
| 439 | S | 63.6 | Low | 55.6 | Low | 112 Ų | 112 | 147.8 Ų | 147.8 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -10.2 | -177.5 | 54.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 440 | A | 52.4 | Low | 54.7 | Low | 92 Ų | 92 | 151.7 Ų | 151.7 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -6.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | R438 | R438-A440 PolarHBondContact O-N 3.01Š|
| 441 | Q | 52.3 | Low | 53.3 | Low | 153 Ų | 153 | 152.1 Ų | 152.1 | 72% | 0.715 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -117.2 | -23.4 | -160.8 | -73.7 | -177.5 | -30.4 | 0 | 0 | 119.4 | R438 G443 | R438-Q441 PolarHBondContact O-N 2.74Å; Q441-G443 PolarHBondContact O-N 3.04Å |
| 442 | Q | 57.2 | Low | 52 | Low | 193 Ų | 193 | 155 Ų | 155 | 90% | 0.902 | 76% | 0.757 | S | S | * | * | trans | -98.7 | 37.5 | -161.2 | -74.2 | -171.8 | -22.7 | 0 | 0 | 117.8 | E444 | Q442-E444 PolarHBondContact O-N 3.47Š| ||
| 443 | G | 53.3 | Low | 50.8 | Low | 86 Ų | 86 | 156.7 Ų | 156.7 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | trans | -81.2 | -0.6 | -177 | 0 | 0 | 0 | 0 | 0 | 117.8 | Q441 | Q441-G443 PolarHBondContact O-N 3.04Š| ||
| 444 | E | 44.7 | Very low | 50.3 | Low | 171 Ų | 171 | 155.5 Ų | 155.5 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -110.3 | -36.1 | -144.4 | -168.5 | 170 | 175.8 | 0 | 0 | 118.9 | Q442 | Q442-E444 PolarHBondContact O-N 3.47Š|
| 445 | E | 45.4 | Very low | 49.3 | Very low | 183 Ų | 183 | 161.5 Ų | 161.5 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -109.9 | 10 | -147.1 | -58.5 | -167.8 | 123 | 0 | 0 | 120 | L447 | E445-L447 PolarHBondContact O-N 3.47Š| ||
| 446 | S | 55.6 | Low | 49.1 | Very low | 107 Ų | 107 | 163.2 Ų | 163.2 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | -77.5 | 1.6 | -157.3 | 59.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 447 | L | 41.8 | Very low | 48.9 | Very low | 163 Ų | 163 | 163.8 Ų | 163.8 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | -105.6 | 22.3 | -152.2 | -79.4 | 171.8 | 0 | 0 | 0 | 120.7 | E445 | E445-L447 PolarHBondContact O-N 3.47Š| ||
| 448 | R | 39.7 | Very low | 49.2 | Very low | 251 Ų | 251 | 163.5 Ų | 163.5 | 95% | 0.947 | 82% | 0.821 | S | S | * | * | trans | -126.5 | 20.8 | -160.9 | -91.3 | -178 | 175.1 | 157.6 | 0.3 | 122.2 | ||||
| 449 | R | 49 | Very low | 48.6 | Very low | 235 Ų | 235 | 167.1 Ų | 167.1 | 89% | 0.887 | 84% | 0.843 | S | S | * | * | trans | -96.1 | -23.6 | -160.1 | -86.4 | -170.6 | 176.2 | 96.3 | -0.1 | 123.5 | L451 | R449-L451 PolarHBondContact O-N 2.89Š| ||
| 450 | E | 45.9 | Very low | 48.3 | Very low | 197 Ų | 197 | 170.5 Ų | 170.5 | 92% | 0.921 | 85% | 0.846 | S | S | * | * | trans | -91.1 | 0.9 | -140.6 | -64.8 | -168.9 | 145.4 | 0 | 0 | 122.3 | ||||
| 451 | L | 34.4 | Very low | 48.2 | Very low | 154 Ų | 154 | 175 Ų | 175 | 81% | 0.806 | 85% | 0.852 | S | S | * | * | trans | -89.9 | 135.5 | -162.1 | -133.6 | 84.3 | 0 | 0 | 0 | 118 | R449 | R449-L451 PolarHBondContact O-N 2.89Š| ||
| 452 | Q | 37.6 | Very low | 47.7 | Very low | 148 Ų | 148 | 173.2 Ų | 173.2 | 69% | 0.692 | 86% | 0.856 | S | S | * | * | trans | 93.4 | 42.3 | 133.7 | -136.5 | 69.8 | -17.5 | 0 | 0 | 123.7 | ||||
| 453 | N | 45.4 | Very low | 47.6 | Very low | 166 Ų | 166 | 169.2 Ų | 169.2 | 89% | 0.888 | 85% | 0.849 | S | S | * | * | trans | -97.6 | 15.2 | -170.2 | -124.5 | -13.2 | 0 | 0 | 0 | 119.4 | ||||
| 454 | L | 41.6 | Very low | 47.4 | Very low | 172 Ų | 172 | 173.5 Ų | 173.5 | 90% | 0.901 | 85% | 0.846 | S | S | * | * | trans | -121.9 | 18.8 | -151.1 | -76.5 | 173.5 | 0 | 0 | 0 | 121.5 | ||||
| 455 | R | 41.8 | Very low | 47.7 | Very low | 225 Ų | 225 | 172.6 Ų | 172.6 | 85% | 0.849 | 85% | 0.846 | S | S | * | * | trans | -102.3 | -23.5 | -163.9 | -98.4 | -179.4 | 175.9 | 162.4 | -0.1 | 122.7 | ||||
| 456 | N | 55.6 | Low | 48.3 | Very low | 162 Ų | 162 | 172 Ų | 172 | 87% | 0.866 | 84% | 0.843 | S | S | * | * | trans | -110.7 | 23.9 | -151.6 | -67 | 1.2 | 0 | 0 | 0 | 119.3 | ||||
| 457 | K | 53.8 | Low | 48.4 | Very low | 211 Ų | 211 | 175.1 Ų | 175.1 | 92% | 0.917 | 85% | 0.846 | S | S | * | * | trans | -103.4 | 4.5 | -165.4 | -99.7 | -175.5 | -179.9 | -178.5 | 0 | 119.8 | ||||
| 458 | V | 60.3 | Low | 48.9 | Very low | 138 Ų | 138 | 174.1 Ų | 174.1 | 84% | 0.836 | 84% | 0.841 | S | S | * | * | trans | -101.7 | -12 | -161.3 | 174.8 | 0 | 0 | 0 | 0 | 116.3 | Q460 | V458-Q460 PolarHBondContact O-N 2.99Š| ||
| 459 | Q | 49.7 | Very low | 49.8 | Very low | 191 Ų | 191 | 170.2 Ų | 170.2 | 89% | 0.893 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -93.3 | 4.9 | -153.3 | -156.5 | 166.4 | -9.7 | 0 | 0 | 118.1 | ||
| 460 | Q | 56.2 | Low | 50.3 | Low | 182 Ų | 182 | 168.5 Ų | 168.5 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | trans | -117.5 | 9.7 | -156.9 | -145.7 | 171.6 | 3.6 | 0 | 0 | 117.9 | V458 | V458-Q460 PolarHBondContact O-N 2.99Š| ||
| 461 | Q | 50.1 | Low | 50.6 | Low | 188 Ų | 188 | 166.3 Ų | 166.3 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -101.6 | 3.9 | -168.1 | -72.2 | -173.9 | -41.2 | 0 | 0 | 117.2 | ||||
| 462 | S | 42 | Very low | 52 | Low | 114 Ų | 114 | 167.8 Ų | 167.8 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -92 | -2.1 | -164.8 | 49.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 463 | S | 55.6 | Low | 53.3 | Low | 109 Ų | 109 | 165.4 Ų | 165.4 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -103.7 | 19.5 | -161 | 68.8 | 0 | 0 | 0 | 0 | 117.2 | ||
| 464 | Q | 48.7 | Very low | 54.2 | Low | 176 Ų | 176 | 164.6 Ų | 164.6 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -117 | 10.2 | -167.7 | -70.6 | -174.4 | -31.8 | 0 | 0 | 116.2 | ||
| 465 | L | 50.9 | Low | 55.3 | Low | 152 Ų | 152 | 161.9 Ų | 161.9 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -106.9 | -9.6 | -170.2 | -83.9 | 166.1 | 0 | 0 | 0 | 116.9 | ||
| 466 | E | 58.5 | Low | 56.5 | Low | 170 Ų | 170 | 154.1 Ų | 154.1 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -90.6 | -7.9 | -167.4 | -65.2 | -175.5 | 162.6 | 0 | 0 | 116 | ||
| 467 | E | 57.8 | Low | 57.1 | Low | 173 Ų | 173 | 151.2 Ų | 151.2 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -86.3 | -15.4 | -171.5 | -70.8 | 179.4 | 135 | 0 | 0 | 114.9 | ||
| 468 | L | 52.7 | Low | 57.5 | Low | 142 Ų | 142 | 146.9 Ų | 146.9 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -13.9 | -171.1 | -85.6 | 164.3 | 0 | 0 | 0 | 115.9 | ||
| 469 | E | 58.6 | Low | 57.7 | Low | 169 Ų | 169 | 146.5 Ų | 146.5 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -18.7 | -172.7 | -65 | -167.6 | 142 | 0 | 0 | 114.5 | Q471 | E469-Q471 PolarHBondContact O-N 3Š|
| 470 | R | 59.7 | Low | 58.5 | Low | 199 Ų | 199 | 143.7 Ų | 143.7 | 75% | 0.751 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -73.8 | -19.2 | -172.8 | -78.3 | -176.6 | 169 | 85.5 | -0.3 | 115.8 | K472 | R470-K472 PolarHBondContact O-N 3.46Š|
| 471 | Q | 52.3 | Low | 59 | Low | 151 Ų | 151 | 140.8 Ų | 140.8 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -86.6 | 0.5 | -172 | -68.7 | -179.4 | -16.6 | 0 | 0 | 114.9 | E469 | E469-Q471 PolarHBondContact O-N 3Š|
| 472 | K | 62.5 | Low | 59.4 | Low | 185 Ų | 185 | 137.1 Ų | 137.1 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -91.6 | -18.1 | -175.6 | -95.5 | -179 | 175.6 | 175.2 | 0 | 115.7 | R470 | R470-K472 PolarHBondContact O-N 3.46Š|
| 473 | T | 64.7 | Low | 60.8 | Low | 98 Ų | 98 | 138.1 Ų | 138.1 | 60% | 0.601 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -89.3 | -19.5 | -171.3 | 47 | 0 | 0 | 0 | 0 | 114.6 | I475 S476 | T473-I475 VanDerWaalsContact C-N 3.33Å; T473-I475 PolarHBondContact O-N 3.46Å; T473-S476 PolarHBondContact O-OG 2.98Å |
| 474 | E | 65.3 | Low | 61.6 | Low | 150 Ų | 150 | 138.7 Ų | 138.7 | 70% | 0.701 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -80.7 | -12.6 | -177.4 | -64.9 | 178.6 | 149.9 | 0 | 0 | 113.6 | ||
| 475 | I | 63.9 | Low | 62.6 | Low | 114 Ų | 114 | 135.2 Ų | 135.2 | 59% | 0.585 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -86.4 | -23.8 | -175.9 | -68.3 | 169.6 | 0 | 0 | 0 | 112.5 | T473 | T473-I475 VanDerWaalsContact C-N 3.33Å; T473-I475 PolarHBondContact O-N 3.46Å |
| 476 | S | 66.8 | Low | 63.6 | Low | 63 Ų | 63 | 131.6 Ų | 131.6 | 44% | 0.441 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -69.7 | -41 | 178.3 | 43.4 | 0 | 0 | 0 | 0 | 112.8 | T473 L478 Q479 | T473-S476 PolarHBondContact O-OG 2.98Å; S476-L478 VanDerWaalsContact C-N 3.34Å; S476-L478 PolarHBondContact O-N 3.13Å; S476-Q479 PolarHBondContact O-N 3.38Å; S476-Q479 VanDerWaalsContact O-N 3.13Å |
| 477 | D | 68.2 | Low | 64.4 | Low | 101 Ų | 101 | 128.5 Ų | 128.5 | 54% | 0.54 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -74.9 | -28.7 | -164.3 | -60.7 | 6.3 | 0 | 0 | 0 | 111.8 | Q479 | D477-Q479 VanDerWaalsContact C-N 3.31Å; D477-Q479 PolarHBondContact O-N 3.33Å |
| 478 | L | 62.8 | Low | 65.1 | Low | 119 Ų | 119 | 126 Ų | 126 | 62% | 0.623 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -73.5 | -17.8 | 174.3 | -68.3 | 171.7 | 0 | 0 | 0 | 113.7 | S476 | S476-L478 VanDerWaalsContact C-N 3.34Å; S476-L478 PolarHBondContact O-N 3.13Å |
| 479 | Q | 64.2 | Low | 65.9 | Low | 131 Ų | 131 | 124.7 Ų | 124.7 | 61% | 0.612 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -81.4 | -29.4 | 176.7 | -67 | -174.1 | -14.5 | 0 | 0 | 112.4 | S476 D477 | S476-Q479 PolarHBondContact O-N 3.38Å; S476-Q479 VanDerWaalsContact O-N 3.13Å; D477-Q479 VanDerWaalsContact C-N 3.31Å; D477-Q479 PolarHBondContact O-N 3.33Å |
| 480 | Q | 67.6 | Low | 66.6 | Low | 132 Ų | 132 | 118.1 Ų | 118.1 | 62% | 0.617 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -73.8 | -40.2 | -177.7 | -162.5 | 167.5 | -1 | 0 | 0 | 112.1 | N482 Q483 | Q480-N482 VanDerWaalsContact C-N 3.27Å; Q480-N482 PolarHBondContact O-N 3.34Å; Q480-Q483 PolarHBondContact O-N 3.01Å |
| 481 | Q | 66 | Low | 67.3 | Low | 120 Ų | 120 | 111.2 Ų | 111.2 | 56% | 0.561 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.9 | -28 | 178.6 | -65.5 | 179.3 | -5.8 | 0 | 0 | 113.7 | Q483 | Q481-Q483 VanDerWaalsContact C-N 3.32Å; Q481-Q483 PolarHBondContact O-N 3.13Å |
| 482 | N | 58.3 | Low | 68.1 | Low | 112 Ų | 112 | 109 Ų | 109 | 60% | 0.599 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -71.6 | -26.5 | 179.2 | -121.1 | -57.1 | 0 | 0 | 0 | 113 | Q480 S486 | Q480-N482 VanDerWaalsContact C-N 3.27Å; Q480-N482 PolarHBondContact O-N 3.34Å; N482-S486 PolarHBondContact O-OG 3.16Å |
| 483 | Q | 72.2 | Confident | 68.7 | Low | 135 Ų | 135 | 103.8 Ų | 103.8 | 63% | 0.631 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -78.1 | -37 | -179.4 | -65 | 178.4 | 0.2 | 0 | 0 | 111.6 | Q480 Q481 S486 V487 | Q480-Q483 PolarHBondContact O-N 3.01Å; Q481-Q483 VanDerWaalsContact C-N 3.32Å; Q481-Q483 PolarHBondContact O-N 3.13Å; Q483-S486 WeakPolarHBondContact O-CB 3.49Å; Q483-S486 PolarHBondContact O-N 3.45Å; Q483-V487 PolarHBondContact O-N 2.95Å |
| 484 | E | 72.8 | Confident | 69.3 | Low | 121 Ų | 121 | 107.4 Ų | 107.4 | 57% | 0.565 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.2 | -39.3 | 178.9 | -65.2 | -177.1 | 148.6 | 0 | 0 | 112.5 | S486 V487 Q488 | E484-S486 VanDerWaalsContact C-N 3.31Å; E484-S486 PolarHBondContact O-N 3.03Å; E484-V487 PolarHBondContact O-N 3.02Å; E484-Q488 PolarHBondContact O-N 3.45Å |
| 485 | L | 68.8 | Low | 69.8 | Low | 102 Ų | 102 | 102.7 Ų | 102.7 | 53% | 0.534 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.7 | -34 | 175 | -68.8 | 171.6 | 0 | 0 | 0 | 112.6 | V487 Q488 L489 | L485-V487 VanDerWaalsContact C-N 3.34Å; L485-V487 PolarHBondContact O-N 3.46Å; L485-Q488 PolarHBondContact O-N 3Å; L485-L489 PolarHBondContact O-N 2.89Å |
| 486 | S | 71.9 | Confident | 70.4 | Confident | 76 Ų | 76 | 103 Ų | 103 | 53% | 0.531 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.7 | -34.1 | 175.9 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | N482 Q483 E484 G490 | N482-S486 PolarHBondContact O-OG 3.16Å; Q483-S486 WeakPolarHBondContact O-CB 3.49Å; Q483-S486 PolarHBondContact O-N 3.45Å; E484-S486 VanDerWaalsContact C-N 3.31Å; E484-S486 PolarHBondContact O-N 3.03Å; S486-G490 PolarHBondContact O-N 3.41Å |
| 487 | V | 76.2 | Confident | 71.1 | Confident | 105 Ų | 105 | 101.4 Ų | 101.4 | 64% | 0.636 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.2 | -36.1 | 176.6 | 176 | 0 | 0 | 0 | 0 | 111.5 | Q483 E484 L485 G490 A491 | Q483-V487 PolarHBondContact O-N 2.95Å; E484-V487 PolarHBondContact O-N 3.02Å; L485-V487 VanDerWaalsContact C-N 3.34Å; L485-V487 PolarHBondContact O-N 3.46Å; V487-G490 PolarHBondContact O-N 2.99Å; V487-A491 PolarHBondContact O-N 3.4Å |
| 488 | Q | 72.3 | Confident | 71.7 | Confident | 122 Ų | 122 | 103.3 Ų | 103.3 | 57% | 0.57 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.1 | -41.8 | 177.6 | -66.6 | 177.8 | 13.2 | 0 | 0 | 112.2 | E484 L485 G490 A491 L492 | E484-Q488 PolarHBondContact O-N 3.45Å; L485-Q488 PolarHBondContact O-N 3Å; Q488-G490 VanDerWaalsContact C-N 3.31Å; Q488-G490 PolarHBondContact O-N 3.48Å; Q488-A491 PolarHBondContact O-N 3.08Å; Q488-A491 VanDerWaalsContact O-N 3.11Å; Q488-L492 PolarHBondContact O-N 3.32Å; Q488-L492 VanDerWaalsContact O-N 3.14Å |
| 489 | L | 69.3 | Low | 72.4 | Confident | 114 Ų | 114 | 103 Ų | 103 | 60% | 0.597 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.6 | -42.9 | 171.6 | -76.5 | 164.6 | 0 | 0 | 0 | 111.7 | L485 A491 L492 S493 | L485-L489 PolarHBondContact O-N 2.89Å; L489-A491 PolarHBondContact O-N 2.93Å; L489-L492 PolarHBondContact O-N 2.87Å; L489-S493 PolarHBondContact O-N 3.22Å; L489-S493 VanDerWaalsContact O-N 3.15Å |
| 490 | G | 73.4 | Confident | 73.3 | Confident | 30 Ų | 30 | 100.9 Ų | 100.9 | 31% | 0.309 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.6 | -10.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | S486 V487 Q488 R494 | S486-G490 PolarHBondContact O-N 3.41Å; V487-G490 PolarHBondContact O-N 2.99Å; Q488-G490 VanDerWaalsContact C-N 3.31Å; Q488-G490 PolarHBondContact O-N 3.48Å; G490-R494 PolarHBondContact O-NE 3.32Å; G490-R494 PolarHBondContact O-NH2 2.9Å; G490-R494 VanDerWaalsContact O-NH2 3.14Å |
| 491 | A | 73.6 | Confident | 74.1 | Confident | 55 Ų | 55 | 98.6 Ų | 98.6 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -90.8 | -41.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V487 Q488 L489 R494 S495 | V487-A491 PolarHBondContact O-N 3.4Å; Q488-A491 PolarHBondContact O-N 3.08Å; Q488-A491 VanDerWaalsContact O-N 3.11Å; L489-A491 PolarHBondContact O-N 2.93Å; A491-R494 PolarHBondContact O-N 2.91Å; A491-S495 PolarHBondContact O-N 3.49Å; A491-S495 VanDerWaalsContact O-N 3.16Å |
| 492 | L | 69.1 | Low | 74.7 | Confident | 105 Ų | 105 | 95.1 Ų | 95.1 | 55% | 0.55 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.5 | -48.5 | 177.6 | -70.5 | 169.9 | 0 | 0 | 0 | 111.7 | Q488 L489 R494 S495 E496 | Q488-L492 PolarHBondContact O-N 3.32Å; Q488-L492 VanDerWaalsContact O-N 3.14Å; L489-L492 PolarHBondContact O-N 2.87Å; L492-R494 PolarHBondContact O-N 3.44Å; L492-R494 VanDerWaalsContact O-N 3.16Å; L492-S495 PolarHBondContact O-N 3.17Å; L492-S495 PolarHBondContact O-OG 3.29Å; L492-E496 PolarHBondContact O-N 2.88Å |
| 493 | S | 76.5 | Confident | 75.7 | Confident | 74 Ų | 74 | 93.8 Ų | 93.8 | 52% | 0.517 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -20.9 | 178.1 | -60.6 | 0 | 0 | 0 | 0 | 114.4 | L489 G497 | L489-S493 PolarHBondContact O-N 3.22Å; L489-S493 VanDerWaalsContact O-N 3.15Å; S493-G497 PolarHBondContact O-N 2.99Å |
| 494 | R | 76.1 | Confident | 76.3 | Confident | 175 Ų | 175 | 93 Ų | 93 | 66% | 0.66 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -74.3 | -42.1 | 170 | -85.2 | -179.6 | -89.2 | -174.5 | -7.3 | 111.6 | G490 A491 L492 E496 G497 E498 | G490-R494 PolarHBondContact O-NE 3.32Å; G490-R494 PolarHBondContact O-NH2 2.9Å; G490-R494 VanDerWaalsContact O-NH2 3.14Å; A491-R494 PolarHBondContact O-N 2.91Å; L492-R494 PolarHBondContact O-N 3.44Å; L492-R494 VanDerWaalsContact O-N 3.16Å; R494-E496 VanDerWaalsContact C-N 3.33Å; R494-E496 PolarHBondContact O-N 3.06Å; R494-G497 PolarHBondContact O-N 2.68Å; R494-E498 PolarHBondContact O-N 2.97Å |
| 495 | S | 75.9 | Confident | 77 | Confident | 51 Ų | 51 | 95.3 Ų | 95.3 | 36% | 0.357 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.5 | -33.7 | 173.8 | 69.6 | 0 | 0 | 0 | 0 | 113.1 | A491 L492 L499 | A491-S495 PolarHBondContact O-N 3.49Å; A491-S495 VanDerWaalsContact O-N 3.16Å; L492-S495 PolarHBondContact O-N 3.17Å; L492-S495 PolarHBondContact O-OG 3.29Å; S495-L499 WeakPolarHBondContact O-CB 3.34Å; S495-L499 VanDerWaalsContact O-CG 3.31Å; S495-L499 WeakPolarHBondContact O-CG 3.47Å; S495-L499 PolarHBondContact O-N 3.08Å; S495-L499 VanDerWaalsContact O-N 3.09Å |
| 496 | E | 76.4 | Confident | 77.5 | Confident | 119 Ų | 119 | 95.9 Ų | 95.9 | 56% | 0.556 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.2 | -43.4 | 171.4 | -69.6 | 178.4 | 137.6 | 0 | 0 | 111.5 | L492 R494 L499 T500 | L492-E496 PolarHBondContact O-N 2.88Å; R494-E496 VanDerWaalsContact C-N 3.33Å; R494-E496 PolarHBondContact O-N 3.06Å; E496-L499 PolarHBondContact O-N 3.31Å; E496-T500 PolarHBondContact O-N 3.47Å; E496-T500 PolarHBondContact O-OG1 2.95Å |
| 497 | G | 81.3 | Confident | 78.1 | Confident | 30 Ų | 30 | 100.2 Ų | 100.2 | 31% | 0.309 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.5 | -49.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S493 R494 L499 T500 D501 | S493-G497 PolarHBondContact O-N 2.99Å; R494-G497 PolarHBondContact O-N 2.68Å; G497-L499 VanDerWaalsContact C-N 3.3Å; G497-L499 PolarHBondContact O-N 3Å; G497-T500 WeakPolarHBondContact CA-OG1 3.45Å; G497-T500 PolarHBondContact O-N 3.41Å; G497-T500 VanDerWaalsContact O-N 3.11Å; G497-T500 PolarHBondContact O-OG1 3.48Å; G497-D501 PolarHBondContact O-N 3.01Å |
| 498 | E | 82.1 | Confident | 78.6 | Confident | 142 Ų | 142 | 99.1 Ų | 99.1 | 66% | 0.664 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.2 | -37 | 177.1 | -70.3 | 175 | -172 | 0 | 0 | 112.4 | R494 A502 | R494-E498 PolarHBondContact O-N 2.97Å; E498-A502 WeakPolarHBondContact O-CB 3.36Å; E498-A502 PolarHBondContact O-N 3.47Å |
| 499 | L | 76.8 | Confident | 79.2 | Confident | 111 Ų | 111 | 96.6 Ų | 96.6 | 58% | 0.581 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -70.4 | -31.9 | 174.3 | -73.3 | 171.1 | 0 | 0 | 0 | 113.2 | S495 E496 G497 N503 | S495-L499 WeakPolarHBondContact O-CB 3.34Å; S495-L499 VanDerWaalsContact O-CG 3.31Å; S495-L499 WeakPolarHBondContact O-CG 3.47Å; S495-L499 PolarHBondContact O-N 3.08Å; S495-L499 VanDerWaalsContact O-N 3.09Å; E496-L499 PolarHBondContact O-N 3.31Å; G497-L499 VanDerWaalsContact C-N 3.3Å; G497-L499 PolarHBondContact O-N 3Å; L499-N503 WeakPolarHBondContact O-CB 3.28Å; L499-N503 PolarHBondContact O-N 3.49Å; L499-N503 VanDerWaalsContact O-N 3.09Å; L499-N503 PolarHBondContact O-ND2 3.33Å |
| 500 | T | 82.1 | Confident | 79.8 | Confident | 87 Ų | 87 | 95.5 Ų | 95.5 | 53% | 0.534 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71 | -42.5 | 172.5 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | E496 G497 A502 N503 Q504 | E496-T500 PolarHBondContact O-N 3.47Å; E496-T500 PolarHBondContact O-OG1 2.95Å; G497-T500 WeakPolarHBondContact CA-OG1 3.45Å; G497-T500 PolarHBondContact O-N 3.41Å; G497-T500 VanDerWaalsContact O-N 3.11Å; G497-T500 PolarHBondContact O-OG1 3.48Å; T500-A502 PolarHBondContact O-N 3.22Å; T500-N503 WeakPolarHBondContact O-CB 3.45Å; T500-N503 PolarHBondContact O-N 2.92Å; T500-Q504 PolarHBondContact O-N 2.95Å |
| 501 | D | 84.5 | Confident | 80.5 | Confident | 84 Ų | 84 | 97.5 Ų | 97.5 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 175.9 | -82.3 | -1.7 | 0 | 0 | 0 | 111.7 | G497 Q504 R505 | G497-D501 PolarHBondContact O-N 3.01Å; D501-Q504 PolarHBondContact O-N 3.49Å; D501-R505 WeakPolarHBondContact O-CG 3.45Å; D501-R505 PolarHBondContact O-N 3.16Å |
| 502 | A | 79.9 | Confident | 81.2 | Confident | 47 Ų | 47 | 101.3 Ų | 101.3 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | E498 T500 Q504 R505 L506 | E498-A502 WeakPolarHBondContact O-CB 3.36Å; E498-A502 PolarHBondContact O-N 3.47Å; T500-A502 PolarHBondContact O-N 3.22Å; A502-Q504 PolarHBondContact O-N 2.87Å; A502-R505 PolarHBondContact O-N 3.34Å; A502-L506 WeakPolarHBondContact O-CB 3.37Å; A502-L506 WeakPolarHBondContact O-CG 3.43Å; A502-L506 PolarHBondContact O-N 3.42Å |
| 503 | N | 78 | Confident | 81.9 | Confident | 85 Ų | 85 | 100 Ų | 100 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 174.3 | -97.7 | -76.2 | 0 | 0 | 0 | 112.6 | L499 T500 L506 R507 | L499-N503 WeakPolarHBondContact O-CB 3.28Å; L499-N503 PolarHBondContact O-N 3.49Å; L499-N503 VanDerWaalsContact O-N 3.09Å; L499-N503 PolarHBondContact O-ND2 3.33Å; T500-N503 WeakPolarHBondContact O-CB 3.45Å; T500-N503 PolarHBondContact O-N 2.92Å; N503-L506 PolarHBondContact O-N 3.37Å; N503-R507 WeakPolarHBondContact O-CG 3.27Å; N503-R507 PolarHBondContact O-N 3.13Å |
| 504 | Q | 85.8 | Confident | 82.4 | Confident | 118 Ų | 118 | 102.4 Ų | 102.4 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.7 | -44.1 | 178.8 | -174.8 | 162.3 | -24.5 | 0 | 0 | 111.5 | T500 D501 A502 L506 R507 E508 | T500-Q504 PolarHBondContact O-N 2.95Å; D501-Q504 PolarHBondContact O-N 3.49Å; A502-Q504 PolarHBondContact O-N 2.87Å; Q504-L506 VanDerWaalsContact C-N 3.34Å; Q504-L506 PolarHBondContact O-N 3.02Å; Q504-R507 WeakPolarHBondContact O-CB 3.16Å; Q504-R507 PolarHBondContact O-N 3.31Å; Q504-E508 PolarHBondContact O-N 3.03Å |
| 505 | R | 87 | Confident | 83 | Confident | 169 Ų | 169 | 99.7 Ų | 99.7 | 64% | 0.638 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.9 | -40.7 | 173.9 | -68.5 | 172.9 | -168.3 | -174.8 | 7.7 | 112.2 | D501 A502 E508 T509 | D501-R505 WeakPolarHBondContact O-CG 3.45Å; D501-R505 PolarHBondContact O-N 3.16Å; A502-R505 PolarHBondContact O-N 3.34Å; R505-E508 PolarHBondContact O-N 2.65Å; R505-T509 WeakPolarHBondContact O-CG2 3.36Å; R505-T509 PolarHBondContact O-N 3.05Å; R505-T509 PolarHBondContact O-OG1 3Å |
| 506 | L | 79.9 | Confident | 83.6 | Confident | 114 Ų | 114 | 103.2 Ų | 103.2 | 60% | 0.597 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.6 | -41.6 | 175 | -74.8 | 170.9 | 0 | 0 | 0 | 111.9 | A502 N503 Q504 T509 L510 | A502-L506 WeakPolarHBondContact O-CB 3.37Å; A502-L506 WeakPolarHBondContact O-CG 3.43Å; A502-L506 PolarHBondContact O-N 3.42Å; N503-L506 PolarHBondContact O-N 3.37Å; Q504-L506 VanDerWaalsContact C-N 3.34Å; Q504-L506 PolarHBondContact O-N 3.02Å; L506-T509 WeakPolarHBondContact CA-OG1 3.26Å; L506-T509 PolarHBondContact O-N 2.93Å; L506-T509 PolarHBondContact O-OG1 3.23Å; L506-L510 WeakPolarHBondContact O-CB 3.36Å; L506-L510 PolarHBondContact O-N 3.49Å |
| 507 | R | 84 | Confident | 83.8 | Confident | 167 Ų | 167 | 100.4 Ų | 100.4 | 63% | 0.63 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.4 | -46.1 | 174 | -71.3 | 171.2 | -175.8 | -173 | 1.8 | 112 | N503 Q504 T509 L510 D511 | N503-R507 WeakPolarHBondContact O-CG 3.27Å; N503-R507 PolarHBondContact O-N 3.13Å; Q504-R507 WeakPolarHBondContact O-CB 3.16Å; Q504-R507 PolarHBondContact O-N 3.31Å; R507-T509 VanDerWaalsContact C-N 3.34Å; R507-T509 PolarHBondContact O-N 3.44Å; R507-L510 WeakPolarHBondContact O-CB 3.47Å; R507-L510 PolarHBondContact O-N 2.85Å; R507-L510 VanDerWaalsContact O-N 3.13Å; R507-D511 PolarHBondContact O-N 2.92Å |
| 508 | E | 86.9 | Confident | 84.2 | Confident | 83 Ų | 83 | 106.4 Ų | 106.4 | 39% | 0.388 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 175.6 | -72 | 178.4 | -153.4 | 0 | 0 | 112.7 | Q504 R505 D511 R512 | Q504-E508 PolarHBondContact O-N 3.03Å; R505-E508 PolarHBondContact O-N 2.65Å; E508-D511 PolarHBondContact O-N 3Å; E508-R512 WeakPolarHBondContact O-CG 3.23Å; E508-R512 PolarHBondContact O-N 3.31Å; E508-R512 IonicContact OE2-CZ 3.91Å; E508-R512 IonicContact OE2-NH2 2.76Å; E508-R512 PolarHBondContact OE2-NH2 2.96Å |
| 509 | T | 84.9 | Confident | 84.5 | Confident | 68 Ų | 68 | 102.6 Ų | 102.6 | 42% | 0.417 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.1 | -37 | 174.6 | 55.8 | 0 | 0 | 0 | 0 | 112.5 | R505 L506 R507 D511 V513 | R505-T509 WeakPolarHBondContact O-CG2 3.36Å; R505-T509 PolarHBondContact O-N 3.05Å; R505-T509 PolarHBondContact O-OG1 3Å; L506-T509 WeakPolarHBondContact CA-OG1 3.26Å; L506-T509 PolarHBondContact O-N 2.93Å; L506-T509 PolarHBondContact O-OG1 3.23Å; R507-T509 VanDerWaalsContact C-N 3.34Å; R507-T509 PolarHBondContact O-N 3.44Å; T509-D511 VanDerWaalsContact C-N 3.35Å; T509-V513 WeakPolarHBondContact O-CB 3.37Å; T509-V513 VanDerWaalsContact O-CG2 3.31Å; T509-V513 WeakPolarHBondContact O-CG2 3.44Å; T509-V513 PolarHBondContact O-N 2.83Å |
| 510 | L | 81.2 | Confident | 84.9 | Confident | 91 Ų | 91 | 101.7 Ų | 101.7 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 176.6 | -166.7 | 83.9 | 0 | 0 | 0 | 111.2 | L506 R507 V513 R514 | L506-L510 WeakPolarHBondContact O-CB 3.36Å; L506-L510 PolarHBondContact O-N 3.49Å; R507-L510 WeakPolarHBondContact O-CB 3.47Å; R507-L510 PolarHBondContact O-N 2.85Å; R507-L510 VanDerWaalsContact O-N 3.13Å; L510-V513 PolarHBondContact O-N 3.12Å; L510-R514 VanDerWaalsContact CD2-CZ 3.48Å; L510-R514 WeakPolarHBondContact O-CB 3.41Å; L510-R514 WeakPolarHBondContact O-CD 3.28Å; L510-R514 WeakPolarHBondContact O-CG 3.47Å; L510-R514 PolarHBondContact O-N 3.32Å |
| 511 | D | 87.5 | Confident | 85.1 | Confident | 72 Ų | 72 | 105.2 Ų | 105.2 | 39% | 0.385 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.9 | -36.8 | -180 | -70.9 | -32.7 | 0 | 0 | 0 | 112.3 | R507 E508 T509 R514 E515 | R507-D511 PolarHBondContact O-N 2.92Å; E508-D511 PolarHBondContact O-N 3Å; T509-D511 VanDerWaalsContact C-N 3.35Å; D511-R514 WeakPolarHBondContact O-CB 3.42Å; D511-R514 PolarHBondContact O-N 3.42Å; D511-R514 VanDerWaalsContact OD1-CD 3.26Å; D511-R514 WeakPolarHBondContact OD1-CD 3.3Å; D511-R514 IonicContact OD1-CZ 3.17Å; D511-R514 IonicContact OD1-NE 3.39Å; D511-R514 IonicContact OD1-NH1 3.24Å; D511-R514 PolarHBondContact OD1-NH1 3.04Å; D511-E515 WeakPolarHBondContact O-CG 3.24Å; D511-E515 PolarHBondContact O-N 2.9Å |
| 512 | R | 89.8 | Confident | 85.3 | Confident | 135 Ų | 135 | 102.9 Ų | 102.9 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59 | -47.8 | 168.3 | -71.3 | 174.2 | -165.5 | 138.3 | 17.8 | 111.9 | E508 R514 E515 E516 | E508-R512 WeakPolarHBondContact O-CG 3.23Å; E508-R512 PolarHBondContact O-N 3.31Å; E508-R512 IonicContact OE2-CZ 3.91Å; E508-R512 IonicContact OE2-NH2 2.76Å; E508-R512 PolarHBondContact OE2-NH2 2.96Å; R512-R514 VanDerWaalsContact C-N 3.3Å; R512-R514 PolarHBondContact O-N 3.19Å; R512-E515 PolarHBondContact O-N 2.98Å; R512-E515 VanDerWaalsContact O-N 3.1Å; R512-E516 WeakPolarHBondContact O-CG 3.47Å; R512-E516 PolarHBondContact O-N 2.74Å |
| 513 | V | 82.9 | Confident | 85.7 | Confident | 79 Ų | 79 | 105.8 Ų | 105.8 | 48% | 0.479 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -35.8 | 176.2 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | T509 L510 E515 E516 V517 | T509-V513 WeakPolarHBondContact O-CB 3.37Å; T509-V513 VanDerWaalsContact O-CG2 3.31Å; T509-V513 WeakPolarHBondContact O-CG2 3.44Å; T509-V513 PolarHBondContact O-N 2.83Å; L510-V513 PolarHBondContact O-N 3.12Å; V513-E515 VanDerWaalsContact C-N 3.35Å; V513-E516 PolarHBondContact O-N 3.35Å; V513-V517 HydrophobicContact CG1-CG2 4.46Å; V513-V517 WeakPolarHBondContact O-CB 3.37Å; V513-V517 VanDerWaalsContact O-CG2 3.24Å; V513-V517 WeakPolarHBondContact O-CG2 3.34Å; V513-V517 PolarHBondContact O-N 3.39Å |
| 514 | R | 88.1 | Confident | 85.8 | Confident | 124 Ų | 124 | 104.3 Ų | 104.3 | 47% | 0.468 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -37.9 | 172.9 | -75.5 | 159.3 | 166.2 | -178.4 | -3.6 | 112.2 | L510 D511 R512 R518 | L510-R514 VanDerWaalsContact CD2-CZ 3.48Å; L510-R514 WeakPolarHBondContact O-CB 3.41Å; L510-R514 WeakPolarHBondContact O-CD 3.28Å; L510-R514 WeakPolarHBondContact O-CG 3.47Å; L510-R514 PolarHBondContact O-N 3.32Å; D511-R514 WeakPolarHBondContact O-CB 3.42Å; D511-R514 PolarHBondContact O-N 3.42Å; D511-R514 VanDerWaalsContact OD1-CD 3.26Å; D511-R514 WeakPolarHBondContact OD1-CD 3.3Å; D511-R514 IonicContact OD1-CZ 3.17Å; D511-R514 IonicContact OD1-NE 3.39Å; D511-R514 IonicContact OD1-NH1 3.24Å; D511-R514 PolarHBondContact OD1-NH1 3.04Å; R512-R514 VanDerWaalsContact C-N 3.3Å; R512-R514 PolarHBondContact O-N 3.19Å; R514-R518 VanDerWaalsContact O-CG 3.3Å; R514-R518 WeakPolarHBondContact O-CG 3.47Å; R514-R518 PolarHBondContact O-N 2.95Å |
| 515 | E | 88.1 | Confident | 86 | Confident | 118 Ų | 118 | 104 Ų | 104 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70.5 | -41 | 176 | -72.7 | 177.1 | 170.3 | 0 | 0 | 112.1 | D511 R512 V513 V517 R518 A519 | D511-E515 WeakPolarHBondContact O-CG 3.24Å; D511-E515 PolarHBondContact O-N 2.9Å; R512-E515 PolarHBondContact O-N 2.98Å; R512-E515 VanDerWaalsContact O-N 3.1Å; V513-E515 VanDerWaalsContact C-N 3.35Å; E515-V517 VanDerWaalsContact C-N 3.34Å; E515-V517 PolarHBondContact O-N 3.44Å; E515-R518 WeakPolarHBondContact O-CB 3.45Å; E515-R518 PolarHBondContact O-N 2.93Å; E515-R518 VanDerWaalsContact O-N 3.16Å; E515-A519 WeakPolarHBondContact O-CB 3.39Å; E515-A519 PolarHBondContact O-N 2.89Å |
| 516 | E | 87.4 | Confident | 86.1 | Confident | 125 Ų | 125 | 103 Ų | 103 | 58% | 0.584 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.8 | -41.6 | 171.2 | -71.1 | 170.4 | -172.8 | 0 | 0 | 111.7 | R512 V513 R518 A519 T520 | R512-E516 WeakPolarHBondContact O-CG 3.47Å; R512-E516 PolarHBondContact O-N 2.74Å; V513-E516 PolarHBondContact O-N 3.35Å; E516-R518 PolarHBondContact O-N 3.3Å; E516-A519 PolarHBondContact O-N 2.93Å; E516-T520 WeakPolarHBondContact O-CB 3.42Å; E516-T520 WeakPolarHBondContact O-CG2 3.47Å; E516-T520 PolarHBondContact O-N 3.27Å; E516-T520 PolarHBondContact O-OG1 3Å |
| 517 | V | 82.5 | Confident | 86.4 | Confident | 60 Ų | 60 | 100.6 Ų | 100.6 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.7 | -34.7 | 174 | 168.7 | 0 | 0 | 0 | 0 | 112 | V513 E515 T520 R521 | V513-V517 HydrophobicContact CG1-CG2 4.46Å; V513-V517 WeakPolarHBondContact O-CB 3.37Å; V513-V517 VanDerWaalsContact O-CG2 3.24Å; V513-V517 WeakPolarHBondContact O-CG2 3.34Å; V513-V517 PolarHBondContact O-N 3.39Å; E515-V517 VanDerWaalsContact C-N 3.34Å; E515-V517 PolarHBondContact O-N 3.44Å; V517-T520 WeakPolarHBondContact CA-OG1 3.46Å; V517-T520 PolarHBondContact O-OG1 3.12Å; V517-R521 WeakPolarHBondContact O-CB 3.16Å; V517-R521 WeakPolarHBondContact O-CD 3.39Å; V517-R521 WeakPolarHBondContact O-CG 3.31Å; V517-R521 PolarHBondContact O-N 3.47Å; V517-R521 VanDerWaalsContact O-N 3.14Å |
| 518 | R | 88.9 | Confident | 86.6 | Confident | 156 Ų | 156 | 97.9 Ų | 97.9 | 59% | 0.589 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -69.1 | -43.7 | 171.8 | -72.2 | 169.9 | -171.2 | 142.7 | -1.2 | 111.7 | R514 E515 E516 R521 A522 | R514-R518 VanDerWaalsContact O-CG 3.3Å; R514-R518 WeakPolarHBondContact O-CG 3.47Å; R514-R518 PolarHBondContact O-N 2.95Å; E515-R518 WeakPolarHBondContact O-CB 3.45Å; E515-R518 PolarHBondContact O-N 2.93Å; E515-R518 VanDerWaalsContact O-N 3.16Å; E516-R518 PolarHBondContact O-N 3.3Å; R518-R521 PolarHBondContact O-N 3.41Å; R518-A522 WeakPolarHBondContact O-CB 3.37Å; R518-A522 PolarHBondContact O-N 3.21Å |
| 519 | A | 87.9 | Confident | 86.7 | Confident | 62 Ų | 62 | 98.7 Ų | 98.7 | 51% | 0.512 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.7 | -44.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | E515 E516 A522 Q523 | E515-A519 WeakPolarHBondContact O-CB 3.39Å; E515-A519 PolarHBondContact O-N 2.89Å; E516-A519 PolarHBondContact O-N 2.93Å; A519-A522 PolarHBondContact O-N 2.87Å; A519-Q523 WeakPolarHBondContact O-CB 3.41Å; A519-Q523 PolarHBondContact O-N 2.86Å |
| 520 | T | 85.8 | Confident | 86.9 | Confident | 91 Ų | 91 | 100.8 Ų | 100.8 | 56% | 0.558 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66 | -37.8 | 175.1 | 48.4 | 0 | 0 | 0 | 0 | 112.5 | E516 V517 Q523 A524 | E516-T520 WeakPolarHBondContact O-CB 3.42Å; E516-T520 WeakPolarHBondContact O-CG2 3.47Å; E516-T520 PolarHBondContact O-N 3.27Å; E516-T520 PolarHBondContact O-OG1 3Å; V517-T520 WeakPolarHBondContact CA-OG1 3.46Å; V517-T520 PolarHBondContact O-OG1 3.12Å; T520-Q523 PolarHBondContact O-N 3.34Å; T520-A524 WeakPolarHBondContact O-CB 3.32Å; T520-A524 PolarHBondContact O-N 2.84Å |
| 521 | R | 86.6 | Confident | 87.1 | Confident | 162 Ų | 162 | 99.1 Ų | 99.1 | 61% | 0.611 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.7 | -48.8 | 170.4 | -76.7 | 172.9 | -174.9 | -172.3 | 1.9 | 112.3 | V517 R518 Q523 A524 E525 | V517-R521 WeakPolarHBondContact O-CB 3.16Å; V517-R521 WeakPolarHBondContact O-CD 3.39Å; V517-R521 WeakPolarHBondContact O-CG 3.31Å; V517-R521 PolarHBondContact O-N 3.47Å; V517-R521 VanDerWaalsContact O-N 3.14Å; R518-R521 PolarHBondContact O-N 3.41Å; R521-Q523 PolarHBondContact O-N 3.08Å; R521-A524 WeakPolarHBondContact O-CB 3.31Å; R521-A524 PolarHBondContact O-N 3.46Å; R521-A524 VanDerWaalsContact O-N 3.13Å; R521-E525 WeakPolarHBondContact O-CB 3.41Å; R521-E525 WeakPolarHBondContact O-CG 3.45Å; R521-E525 PolarHBondContact O-N 3.02Å |
| 522 | A | 87.4 | Confident | 87 | Confident | 34 Ų | 34 | 99.7 Ų | 99.7 | 28% | 0.281 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.4 | -33.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | R518 A519 R526 | R518-A522 WeakPolarHBondContact O-CB 3.37Å; R518-A522 PolarHBondContact O-N 3.21Å; A519-A522 PolarHBondContact O-N 2.87Å; A522-R526 VanDerWaalsContact O-CG 3.28Å; A522-R526 WeakPolarHBondContact O-CG 3.36Å; A522-R526 PolarHBondContact O-N 3.47Å; A522-R526 VanDerWaalsContact O-N 3.1Å |
| 523 | Q | 88.2 | Confident | 87.1 | Confident | 108 Ų | 108 | 100.5 Ų | 100.5 | 51% | 0.505 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.6 | -39.2 | 174.3 | -170.7 | 61 | 18.9 | 0 | 0 | 112.3 | A519 T520 R521 R526 S527 | A519-Q523 WeakPolarHBondContact O-CB 3.41Å; A519-Q523 PolarHBondContact O-N 2.86Å; T520-Q523 PolarHBondContact O-N 3.34Å; R521-Q523 PolarHBondContact O-N 3.08Å; Q523-R526 PolarHBondContact O-N 3.07Å; Q523-S527 PolarHBondContact O-N 3.36Å; Q523-S527 PolarHBondContact O-OG 2.86Å |
| 524 | A | 81.9 | Confident | 87.5 | Confident | 55 Ų | 55 | 101.5 Ų | 101.5 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T520 R521 R526 S527 Q528 | T520-A524 WeakPolarHBondContact O-CB 3.32Å; T520-A524 PolarHBondContact O-N 2.84Å; R521-A524 WeakPolarHBondContact O-CB 3.31Å; R521-A524 PolarHBondContact O-N 3.46Å; R521-A524 VanDerWaalsContact O-N 3.13Å; A524-R526 VanDerWaalsContact C-N 3.35Å; A524-R526 PolarHBondContact O-N 2.82Å; A524-S527 PolarHBondContact O-N 2.99Å; A524-S527 PolarHBondContact O-OG 3.47Å; A524-Q528 WeakPolarHBondContact O-CB 3.5Å; A524-Q528 PolarHBondContact O-N 3.06Å |
| 525 | E | 89.3 | Confident | 87.5 | Confident | 111 Ų | 111 | 100.1 Ų | 100.1 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -56.1 | -45.6 | 174.5 | -74.6 | 166.1 | -169.8 | 0 | 0 | 111.5 | R521 Q528 H529 | R521-E525 WeakPolarHBondContact O-CB 3.41Å; R521-E525 WeakPolarHBondContact O-CG 3.45Å; R521-E525 PolarHBondContact O-N 3.02Å; E525-Q528 WeakPolarHBondContact O-CB 3.46Å; E525-Q528 PolarHBondContact O-N 2.78Å; E525-H529 PolarHBondContact O-N 3.32Å; E525-H529 PolarHBondContact O-ND1 3.41Å |
| 526 | R | 89.4 | Confident | 87.6 | Confident | 149 Ų | 149 | 100.4 Ų | 100.4 | 56% | 0.562 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.6 | -48.4 | 174.6 | -73.4 | 167.7 | -173.1 | 165.7 | -0.1 | 112.3 | A522 Q523 A524 Q528 H529 E530 | A522-R526 VanDerWaalsContact O-CG 3.28Å; A522-R526 WeakPolarHBondContact O-CG 3.36Å; A522-R526 PolarHBondContact O-N 3.47Å; A522-R526 VanDerWaalsContact O-N 3.1Å; Q523-R526 PolarHBondContact O-N 3.07Å; A524-R526 VanDerWaalsContact C-N 3.35Å; A524-R526 PolarHBondContact O-N 2.82Å; R526-Q528 PolarHBondContact O-N 2.99Å; R526-H529 PolarHBondContact O-N 2.92Å; R526-E530 WeakPolarHBondContact O-CG 3.32Å; R526-E530 PolarHBondContact O-N 2.99Å |
| 527 | S | 86.4 | Confident | 87.7 | Confident | 63 Ų | 63 | 98.6 Ų | 98.6 | 44% | 0.441 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -30.6 | 178.4 | 68.8 | 0 | 0 | 0 | 0 | 112.9 | Q523 A524 A531 | Q523-S527 PolarHBondContact O-N 3.36Å; Q523-S527 PolarHBondContact O-OG 2.86Å; A524-S527 PolarHBondContact O-N 2.99Å; A524-S527 PolarHBondContact O-OG 3.47Å; S527-A531 WeakPolarHBondContact O-CB 3.28Å; S527-A531 PolarHBondContact O-N 2.68Å |
| 528 | Q | 86.8 | Confident | 88.1 | Confident | 109 Ų | 109 | 103.4 Ų | 103.4 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69 | -49.2 | 172.6 | -179 | -177.2 | -20.4 | 0 | 0 | 111.1 | A524 E525 R526 E530 A531 E532 | A524-Q528 WeakPolarHBondContact O-CB 3.5Å; A524-Q528 PolarHBondContact O-N 3.06Å; E525-Q528 WeakPolarHBondContact O-CB 3.46Å; E525-Q528 PolarHBondContact O-N 2.78Å; R526-Q528 PolarHBondContact O-N 2.99Å; Q528-E530 VanDerWaalsContact C-N 3.28Å; Q528-E530 PolarHBondContact O-N 3.4Å; Q528-A531 PolarHBondContact O-N 2.94Å; Q528-A531 VanDerWaalsContact O-N 3.14Å; Q528-E532 HydrophobicContact CG-CG 4.41Å; Q528-E532 WeakPolarHBondContact CG-OE1 3.36Å; Q528-E532 PolarHBondContact NE2-OE1 3.27Å; Q528-E532 WeakPolarHBondContact O-CB 3.47Å; Q528-E532 WeakPolarHBondContact O-CG 3.44Å; Q528-E532 PolarHBondContact O-N 2.93Å |
| 529 | H | 89.1 | Confident | 88.1 | Confident | 101 Ų | 101 | 104.2 Ų | 104.2 | 47% | 0.468 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -34.6 | 177.6 | -73.2 | 81.3 | 0 | 0 | 0 | 112.1 | E525 R526 R533 | E525-H529 PolarHBondContact O-N 3.32Å; E525-H529 PolarHBondContact O-ND1 3.41Å; R526-H529 PolarHBondContact O-N 2.92Å; H529-R533 VanDerWaalsContact O-CG 3.32Å; H529-R533 WeakPolarHBondContact O-CG 3.26Å; H529-R533 PolarHBondContact O-N 3.29Å |
| 530 | E | 90.3 | Very high | 88.2 | Confident | 112 Ų | 112 | 105 Ų | 105 | 52% | 0.523 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.9 | -43 | 173.2 | -73.7 | 167.2 | -172.3 | 0 | 0 | 111.4 | R526 Q528 R533 M534 | R526-E530 WeakPolarHBondContact O-CG 3.32Å; R526-E530 PolarHBondContact O-N 2.99Å; Q528-E530 VanDerWaalsContact C-N 3.28Å; Q528-E530 PolarHBondContact O-N 3.4Å; E530-R533 PolarHBondContact O-N 2.92Å; E530-M534 VanDerWaalsContact O-CG 3.3Å; E530-M534 WeakPolarHBondContact O-CG 3.32Å; E530-M534 PolarHBondContact O-N 3.13Å |
| 531 | A | 83.9 | Confident | 88.4 | Confident | 55 Ų | 55 | 106.7 Ų | 106.7 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S527 Q528 M534 V535 | S527-A531 WeakPolarHBondContact O-CB 3.28Å; S527-A531 PolarHBondContact O-N 2.68Å; Q528-A531 PolarHBondContact O-N 2.94Å; Q528-A531 VanDerWaalsContact O-N 3.14Å; A531-M534 PolarHBondContact O-N 3.35Å; A531-V535 WeakPolarHBondContact O-CG2 3.3Å; A531-V535 PolarHBondContact O-N 2.91Å |
| 532 | E | 86.8 | Confident | 88.7 | Confident | 85 Ų | 85 | 106.1 Ų | 106.1 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 175.4 | -75.1 | 168.4 | 179.8 | 0 | 0 | 111 | Q528 M534 V535 E536 | Q528-E532 HydrophobicContact CG-CG 4.41Å; Q528-E532 WeakPolarHBondContact CG-OE1 3.36Å; Q528-E532 PolarHBondContact NE2-OE1 3.27Å; Q528-E532 WeakPolarHBondContact O-CB 3.47Å; Q528-E532 WeakPolarHBondContact O-CG 3.44Å; Q528-E532 PolarHBondContact O-N 2.93Å; E532-M534 PolarHBondContact O-N 2.94Å; E532-V535 WeakPolarHBondContact O-CB 3.46Å; E532-V535 PolarHBondContact O-N 3.15Å; E532-V535 VanDerWaalsContact O-N 3.08Å; E532-E536 WeakPolarHBondContact O-CG 3.46Å; E532-E536 PolarHBondContact O-N 2.87Å |
| 533 | R | 92.5 | Very high | 88.8 | Confident | 152 Ų | 152 | 107.8 Ų | 107.8 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -57.7 | -46.6 | 173.2 | -72.7 | 174.8 | -166.7 | 161.1 | 6.1 | 112.4 | H529 E530 V535 E536 D537 | H529-R533 VanDerWaalsContact O-CG 3.32Å; H529-R533 WeakPolarHBondContact O-CG 3.26Å; H529-R533 PolarHBondContact O-N 3.29Å; E530-R533 PolarHBondContact O-N 2.92Å; R533-V535 PolarHBondContact O-N 3.29Å; R533-E536 CarbonylContact O-C 3.57Å; R533-E536 WeakPolarHBondContact O-CA 3.45Å; R533-E536 WeakPolarHBondContact O-CB 3.32Å; R533-E536 PolarHBondContact O-N 3.15Å; R533-D537 PolarHBondContact O-N 3.31Å |
| 534 | M | 90.6 | Very high | 88.8 | Confident | 99 Ų | 99 | 107.2 Ų | 107.2 | 49% | 0.488 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -25.8 | 177.3 | -71.7 | -61.7 | -51.1 | 0 | 0 | 113.3 | E530 A531 E532 R538 | E530-M534 VanDerWaalsContact O-CG 3.3Å; E530-M534 WeakPolarHBondContact O-CG 3.32Å; E530-M534 PolarHBondContact O-N 3.13Å; A531-M534 PolarHBondContact O-N 3.35Å; E532-M534 PolarHBondContact O-N 2.94Å; M534-R538 WeakPolarHBondContact O-CB 3.4Å; M534-R538 WeakPolarHBondContact O-CD 3.34Å; M534-R538 VanDerWaalsContact O-CG 3.24Å; M534-R538 WeakPolarHBondContact O-CG 3.39Å; M534-R538 PolarHBondContact O-N 3.48Å |
| 535 | V | 88.8 | Confident | 89.1 | Confident | 95 Ų | 95 | 110.1 Ų | 110.1 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -79.6 | -37.1 | 172.4 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | A531 E532 R533 R539 | A531-V535 WeakPolarHBondContact O-CG2 3.3Å; A531-V535 PolarHBondContact O-N 2.91Å; E532-V535 WeakPolarHBondContact O-CB 3.46Å; E532-V535 PolarHBondContact O-N 3.15Å; E532-V535 VanDerWaalsContact O-N 3.08Å; R533-V535 PolarHBondContact O-N 3.29Å; V535-R539 VanDerWaalsContact O-CB 3.28Å; V535-R539 WeakPolarHBondContact O-CB 3.41Å; V535-R539 PolarHBondContact O-N 3.4Å |
| 536 | E | 89.1 | Confident | 89 | Confident | 124 Ų | 124 | 108.8 Ų | 108.8 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.4 | -46.3 | 173.8 | -70 | -178.5 | 154 | 0 | 0 | 111.9 | E532 R533 R538 R539 V540 | E532-E536 WeakPolarHBondContact O-CG 3.46Å; E532-E536 PolarHBondContact O-N 2.87Å; R533-E536 CarbonylContact O-C 3.57Å; R533-E536 WeakPolarHBondContact O-CA 3.45Å; R533-E536 WeakPolarHBondContact O-CB 3.32Å; R533-E536 PolarHBondContact O-N 3.15Å; E536-R538 PolarHBondContact O-N 3.21Å; E536-R539 CarbonylContact O-C 3.6Å; E536-R539 WeakPolarHBondContact O-CA 3.48Å; E536-R539 WeakPolarHBondContact O-CB 3.3Å; E536-R539 PolarHBondContact O-N 2.72Å; E536-V540 WeakPolarHBondContact O-CG2 3.45Å; E536-V540 PolarHBondContact O-N 3.37Å |
| 537 | D | 90.2 | Very high | 89 | Confident | 88 Ų | 88 | 106.8 Ų | 106.8 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.5 | -50.3 | 177.2 | -67.8 | -29.1 | 0 | 0 | 0 | 110.9 | R533 R539 V540 E541 | R533-D537 PolarHBondContact O-N 3.31Å; D537-R539 PolarHBondContact O-N 2.93Å; D537-V540 WeakPolarHBondContact O-CA 3.33Å; D537-V540 WeakPolarHBondContact O-CB 3.39Å; D537-V540 PolarHBondContact O-N 2.94Å; D537-E541 WeakPolarHBondContact O-CG 3.36Å; D537-E541 PolarHBondContact O-N 3.24Å |
| 538 | R | 89.9 | Confident | 89.3 | Confident | 161 Ų | 161 | 110.4 Ų | 110.4 | 61% | 0.608 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.2 | -31 | 174.5 | -74.8 | 174.4 | 177.7 | 177.9 | 0.8 | 113.4 | M534 E536 W542 | M534-R538 WeakPolarHBondContact O-CB 3.4Å; M534-R538 WeakPolarHBondContact O-CD 3.34Å; M534-R538 VanDerWaalsContact O-CG 3.24Å; M534-R538 WeakPolarHBondContact O-CG 3.39Å; M534-R538 PolarHBondContact O-N 3.48Å; E536-R538 PolarHBondContact O-N 3.21Å; R538-W542 WeakPolarHBondContact O-CB 3.42Å; R538-W542 PolarHBondContact O-N 3.48Å |
| 539 | R | 89.8 | Confident | 89.1 | Confident | 172 Ų | 172 | 109.6 Ų | 109.6 | 65% | 0.649 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -72.9 | -34.5 | 175.7 | -177.3 | -178.8 | -179.7 | -173.6 | 0.1 | 111.3 | V535 E536 D537 L543 | V535-R539 VanDerWaalsContact O-CB 3.28Å; V535-R539 WeakPolarHBondContact O-CB 3.41Å; V535-R539 PolarHBondContact O-N 3.4Å; E536-R539 CarbonylContact O-C 3.6Å; E536-R539 WeakPolarHBondContact O-CA 3.48Å; E536-R539 WeakPolarHBondContact O-CB 3.3Å; E536-R539 PolarHBondContact O-N 2.72Å; D537-R539 PolarHBondContact O-N 2.93Å; R539-L543 HydrophobicContact CG-CD1 4.5Å; R539-L543 WeakPolarHBondContact O-CB 3.25Å; R539-L543 VanDerWaalsContact O-CG 3.24Å; R539-L543 WeakPolarHBondContact O-CG 3.44Å; R539-L543 PolarHBondContact O-N 2.91Å; R539-L543 VanDerWaalsContact O-N 3.08Å |
| 540 | V | 90.1 | Very high | 88.9 | Confident | 78 Ų | 78 | 109.3 Ų | 109.3 | 47% | 0.473 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.2 | -50.1 | 171.6 | 174.5 | 0 | 0 | 0 | 0 | 110.2 | E536 D537 W542 L543 E544 | E536-V540 WeakPolarHBondContact O-CG2 3.45Å; E536-V540 PolarHBondContact O-N 3.37Å; D537-V540 WeakPolarHBondContact O-CA 3.33Å; D537-V540 WeakPolarHBondContact O-CB 3.39Å; D537-V540 PolarHBondContact O-N 2.94Å; V540-W542 VanDerWaalsContact C-N 3.29Å; V540-W542 PolarHBondContact O-N 3.46Å; V540-L543 WeakPolarHBondContact O-CB 3.4Å; V540-L543 PolarHBondContact O-N 3.34Å; V540-E544 PolarHBondContact O-N 3.39Å |
| 541 | E | 89.4 | Confident | 88.8 | Confident | 128 Ų | 128 | 109.8 Ų | 109.8 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -52.5 | -46.6 | 175.4 | -69.1 | 174.9 | 156.7 | 0 | 0 | 111.9 | D537 L543 E544 E545 | D537-E541 WeakPolarHBondContact O-CG 3.36Å; D537-E541 PolarHBondContact O-N 3.24Å; E541-L543 PolarHBondContact O-N 2.85Å; E541-E544 PolarHBondContact O-N 3.47Å; E541-E545 PolarHBondContact O-N 3.29Å |
| 542 | W | 92.8 | Very high | 88.9 | Confident | 149 Ų | 149 | 114.5 Ų | 114.5 | 56% | 0.564 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.8 | -36.7 | 177 | 179.4 | 80.4 | 0 | 0 | 0 | 113.3 | R538 V540 K546 | R538-W542 WeakPolarHBondContact O-CB 3.42Å; R538-W542 PolarHBondContact O-N 3.48Å; V540-W542 VanDerWaalsContact C-N 3.29Å; V540-W542 PolarHBondContact O-N 3.46Å; W542-K546 HydrophobicContact CH2-CD 3.82Å; W542-K546 HydrophobicContact CZ2-CD 4.24Å; W542-K546 HydrophobicContact CZ3-CD 4.05Å; W542-K546 WeakPolarHBondContact O-CB 3.42Å; W542-K546 PolarHBondContact O-N 3.43Å |
| 543 | L | 88.7 | Confident | 88.8 | Confident | 69 Ų | 69 | 115.6 Ų | 115.6 | 36% | 0.361 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.9 | -39.9 | 175.3 | -75.6 | 169.9 | 0 | 0 | 0 | 111.5 | R539 V540 E541 K546 H547 | R539-L543 HydrophobicContact CG-CD1 4.5Å; R539-L543 WeakPolarHBondContact O-CB 3.25Å; R539-L543 VanDerWaalsContact O-CG 3.24Å; R539-L543 WeakPolarHBondContact O-CG 3.44Å; R539-L543 PolarHBondContact O-N 2.91Å; R539-L543 VanDerWaalsContact O-N 3.08Å; V540-L543 WeakPolarHBondContact O-CB 3.4Å; V540-L543 PolarHBondContact O-N 3.34Å; E541-L543 PolarHBondContact O-N 2.85Å; L543-K546 PolarHBondContact O-N 2.99Å; L543-H547 PolarHBondContact O-CD2 2.86Å; L543-H547 PolarHBondContact O-N 3.08Å |
| 544 | E | 89.7 | Confident | 88.6 | Confident | 97 Ų | 97 | 111 Ų | 111 | 45% | 0.453 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 174.2 | -69.9 | -171.9 | -172.8 | 0 | 0 | 112.2 | V540 E541 K546 H547 R548 | V540-E544 PolarHBondContact O-N 3.39Å; E541-E544 PolarHBondContact O-N 3.47Å; E544-K546 VanDerWaalsContact C-N 3.34Å; E544-K546 PolarHBondContact O-N 3.31Å; E544-H547 PolarHBondContact O-N 3.02Å; E544-R548 WeakPolarHBondContact O-CG 3.5Å; E544-R548 PolarHBondContact O-N 2.97Å; E544-R548 IonicContact OE2-NH2 3.99Å; E544-R548 PolarHBondContact OE2-NH2 2.91Å |
| 545 | E | 87.4 | Confident | 88.5 | Confident | 116 Ų | 116 | 111 Ų | 111 | 54% | 0.542 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 176.6 | -173.7 | 175.1 | -157.3 | 0 | 0 | 111.1 | E541 H547 R548 L549 | E541-E545 PolarHBondContact O-N 3.29Å; E545-H547 VanDerWaalsContact C-N 3.34Å; E545-H547 PolarHBondContact O-N 2.99Å; E545-R548 PolarHBondContact O-N 2.85Å; E545-L549 HydrophobicContact CG-CD1 4.25Å; E545-L549 WeakPolarHBondContact O-CG 3.37Å; E545-L549 PolarHBondContact O-N 3.34Å |
| 546 | K | 88.1 | Confident | 88.4 | Confident | 82 Ų | 82 | 111.9 Ų | 111.9 | 36% | 0.357 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.7 | -44.4 | 173.8 | -179.6 | -174.2 | 175.9 | -170.8 | 0 | 111.9 | W542 L543 E544 L549 Q550 | W542-K546 HydrophobicContact CH2-CD 3.82Å; W542-K546 HydrophobicContact CZ2-CD 4.24Å; W542-K546 HydrophobicContact CZ3-CD 4.05Å; W542-K546 WeakPolarHBondContact O-CB 3.42Å; W542-K546 PolarHBondContact O-N 3.43Å; L543-K546 PolarHBondContact O-N 2.99Å; E544-K546 VanDerWaalsContact C-N 3.34Å; E544-K546 PolarHBondContact O-N 3.31Å; K546-L549 PolarHBondContact O-N 2.94Å; K546-Q550 VanDerWaalsContact O-CG 3.3Å; K546-Q550 WeakPolarHBondContact O-CG 3.46Å; K546-Q550 PolarHBondContact O-N 2.89Å |
| 547 | H | 88.8 | Confident | 88.1 | Confident | 108 Ų | 108 | 111.3 Ų | 111.3 | 50% | 0.5 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 176.8 | -81.9 | -140.6 | 0 | 0 | 0 | 111.3 | L543 E544 E545 L549 Q550 E551 | L543-H547 PolarHBondContact O-CD2 2.86Å; L543-H547 PolarHBondContact O-N 3.08Å; E544-H547 PolarHBondContact O-N 3.02Å; E545-H547 VanDerWaalsContact C-N 3.34Å; E545-H547 PolarHBondContact O-N 2.99Å; H547-L549 VanDerWaalsContact C-N 3.27Å; H547-L549 PolarHBondContact O-N 2.96Å; H547-Q550 PolarHBondContact O-N 3.5Å; H547-Q550 VanDerWaalsContact O-N 3.09Å; H547-E551 WeakPolarHBondContact O-CG 3.24Å; H547-E551 PolarHBondContact O-N 3.45Å |
| 548 | R | 91.8 | Very high | 88 | Confident | 138 Ų | 138 | 112.6 Ų | 112.6 | 52% | 0.521 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.1 | -36.3 | 175.4 | -69.3 | 173.7 | -172.7 | 151.2 | 13.5 | 112.7 | E544 E545 R552 | E544-R548 WeakPolarHBondContact O-CG 3.5Å; E544-R548 PolarHBondContact O-N 2.97Å; E544-R548 IonicContact OE2-NH2 3.99Å; E544-R548 PolarHBondContact OE2-NH2 2.91Å; E545-R548 PolarHBondContact O-N 2.85Å; R548-R552 VanDerWaalsContact O-CG 3.27Å; R548-R552 WeakPolarHBondContact O-CG 3.46Å; R548-R552 PolarHBondContact O-N 2.9Å; R548-R552 VanDerWaalsContact O-N 3.17Å |
| 549 | L | 83.6 | Confident | 87.9 | Confident | 92 Ų | 92 | 110.1 Ų | 110.1 | 48% | 0.482 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.5 | -39.5 | 175 | -70.7 | 173.8 | 0 | 0 | 0 | 112 | E545 K546 H547 R552 E553 | E545-L549 HydrophobicContact CG-CD1 4.25Å; E545-L549 WeakPolarHBondContact O-CG 3.37Å; E545-L549 PolarHBondContact O-N 3.34Å; K546-L549 PolarHBondContact O-N 2.94Å; H547-L549 VanDerWaalsContact C-N 3.27Å; H547-L549 PolarHBondContact O-N 2.96Å; L549-R552 PolarHBondContact O-N 3.48Å; L549-E553 WeakPolarHBondContact O-CB 3.31Å; L549-E553 PolarHBondContact O-N 3.2Å |
| 550 | Q | 85.3 | Confident | 87.6 | Confident | 96 Ų | 96 | 109.7 Ų | 109.7 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.3 | -38 | 175.5 | -72.9 | 177 | -43.8 | 0 | 0 | 112.5 | K546 H547 E553 A554 | K546-Q550 VanDerWaalsContact O-CG 3.3Å; K546-Q550 WeakPolarHBondContact O-CG 3.46Å; K546-Q550 PolarHBondContact O-N 2.89Å; H547-Q550 PolarHBondContact O-N 3.5Å; H547-Q550 VanDerWaalsContact O-N 3.09Å; Q550-E553 PolarHBondContact O-N 2.85Å; Q550-A554 WeakPolarHBondContact O-CB 3.48Å; Q550-A554 PolarHBondContact O-N 3.28Å |
| 551 | E | 86.8 | Confident | 87.5 | Confident | 121 Ų | 121 | 108.4 Ų | 108.4 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62 | -47.6 | 172.8 | -72.1 | 169.7 | 168.6 | 0 | 0 | 111.3 | H547 E553 A554 E555 | H547-E551 WeakPolarHBondContact O-CG 3.24Å; H547-E551 PolarHBondContact O-N 3.45Å; E551-E553 VanDerWaalsContact C-N 3.32Å; E551-E553 PolarHBondContact O-N 3.36Å; E551-A554 PolarHBondContact O-N 2.91Å; E551-E555 PolarHBondContact O-N 3.41Å |
| 552 | R | 87.9 | Confident | 87.4 | Confident | 155 Ų | 155 | 106.5 Ų | 106.5 | 59% | 0.585 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.1 | -39 | 174.5 | -71.8 | 170 | -179.3 | 178.2 | 1.5 | 112.4 | R548 L549 L556 | R548-R552 VanDerWaalsContact O-CG 3.27Å; R548-R552 WeakPolarHBondContact O-CG 3.46Å; R548-R552 PolarHBondContact O-N 2.9Å; R548-R552 VanDerWaalsContact O-N 3.17Å; L549-R552 PolarHBondContact O-N 3.48Å; R552-L556 WeakPolarHBondContact O-CB 3.18Å; R552-L556 VanDerWaalsContact O-CG 3.27Å; R552-L556 WeakPolarHBondContact O-CG 3.47Å; R552-L556 PolarHBondContact O-N 3.49Å |
| 553 | E | 84.6 | Confident | 86.9 | Confident | 108 Ų | 108 | 101.9 Ų | 101.9 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.4 | -45.9 | 175.2 | -163.9 | -171.2 | 161.3 | 0 | 0 | 111 | L549 Q550 E551 E555 L556 Q557 | L549-E553 WeakPolarHBondContact O-CB 3.31Å; L549-E553 PolarHBondContact O-N 3.2Å; Q550-E553 PolarHBondContact O-N 2.85Å; E551-E553 VanDerWaalsContact C-N 3.32Å; E551-E553 PolarHBondContact O-N 3.36Å; E553-E555 PolarHBondContact O-N 2.91Å; E553-L556 PolarHBondContact O-N 3.46Å; E553-L556 VanDerWaalsContact O-N 3.16Å; E553-Q557 HydrophobicContact CG-CG 4.48Å; E553-Q557 WeakPolarHBondContact O-CB 3.36Å; E553-Q557 VanDerWaalsContact O-CG 3.29Å; E553-Q557 WeakPolarHBondContact O-CG 3.44Å; E553-Q557 PolarHBondContact O-N 2.98Å; E553-Q557 PolarHBondContact OE1-NE2 3.45Å |
| 554 | A | 86.3 | Confident | 86.8 | Confident | 56 Ų | 56 | 103.7 Ų | 103.7 | 46% | 0.463 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q550 E551 Q557 Q558 | Q550-A554 WeakPolarHBondContact O-CB 3.48Å; Q550-A554 PolarHBondContact O-N 3.28Å; E551-A554 PolarHBondContact O-N 2.91Å; A554-Q557 PolarHBondContact O-N 3.49Å; A554-Q558 WeakPolarHBondContact O-CB 3.38Å; A554-Q558 PolarHBondContact O-N 2.96Å |
| 555 | E | 89.7 | Confident | 86.6 | Confident | 98 Ų | 98 | 103.4 Ų | 103.4 | 46% | 0.458 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.1 | -44 | 172.2 | -78.7 | -170.1 | -155.2 | 0 | 0 | 112.6 | E551 E553 Q558 K559 | E551-E555 PolarHBondContact O-N 3.41Å; E553-E555 PolarHBondContact O-N 2.91Å; E555-Q558 PolarHBondContact O-N 2.89Å; E555-K559 WeakPolarHBondContact O-CB 3.49Å; E555-K559 WeakPolarHBondContact O-CD 3.42Å; E555-K559 VanDerWaalsContact O-CG 3.27Å; E555-K559 WeakPolarHBondContact O-CG 3.43Å; E555-K559 PolarHBondContact O-N 2.82Å; E555-K559 IonicContact OE2-NZ 3.11Å; E555-K559 PolarHBondContact OE2-NZ 2.97Å |
| 556 | L | 85.9 | Confident | 86.6 | Confident | 114 Ų | 114 | 104.8 Ų | 104.8 | 60% | 0.597 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.4 | -39.7 | 179 | -74.1 | 170.7 | 0 | 0 | 0 | 111.3 | R552 E553 Q558 K559 Y560 | R552-L556 WeakPolarHBondContact O-CB 3.18Å; R552-L556 VanDerWaalsContact O-CG 3.27Å; R552-L556 WeakPolarHBondContact O-CG 3.47Å; R552-L556 PolarHBondContact O-N 3.49Å; E553-L556 PolarHBondContact O-N 3.46Å; E553-L556 VanDerWaalsContact O-N 3.16Å; L556-Q558 VanDerWaalsContact C-N 3.33Å; L556-Q558 PolarHBondContact O-N 3.49Å; L556-K559 PolarHBondContact O-N 2.91Å; L556-Y560 VanDerWaalsContact O-CB 3.28Å; L556-Y560 WeakPolarHBondContact O-CB 3.47Å; L556-Y560 PolarHBondContact O-N 2.85Å |
| 557 | Q | 83.3 | Confident | 86.3 | Confident | 112 Ų | 112 | 106.9 Ų | 106.9 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 172.5 | -70.8 | 178.7 | 15.2 | 0 | 0 | 111.5 | E553 A554 Y560 S561 | E553-Q557 HydrophobicContact CG-CG 4.48Å; E553-Q557 WeakPolarHBondContact O-CB 3.36Å; E553-Q557 VanDerWaalsContact O-CG 3.29Å; E553-Q557 WeakPolarHBondContact O-CG 3.44Å; E553-Q557 PolarHBondContact O-N 2.98Å; E553-Q557 PolarHBondContact OE1-NE2 3.45Å; A554-Q557 PolarHBondContact O-N 3.49Å; Q557-Y560 PolarHBondContact O-N 3.47Å; Q557-S561 PolarHBondContact O-N 3.44Å; Q557-S561 PolarHBondContact O-OG 3.43Å |
| 558 | Q | 88.3 | Confident | 86 | Confident | 114 Ų | 114 | 107 Ų | 107 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.4 | -42.4 | 174.8 | -166.1 | -170.5 | 27.1 | 0 | 0 | 112.2 | A554 E555 L556 Y560 S561 Q562 | A554-Q558 WeakPolarHBondContact O-CB 3.38Å; A554-Q558 PolarHBondContact O-N 2.96Å; E555-Q558 PolarHBondContact O-N 2.89Å; L556-Q558 VanDerWaalsContact C-N 3.33Å; L556-Q558 PolarHBondContact O-N 3.49Å; Q558-Y560 VanDerWaalsContact C-N 3.31Å; Q558-Y560 PolarHBondContact O-N 3.36Å; Q558-S561 PolarHBondContact O-N 3.25Å; Q558-S561 PolarHBondContact O-OG 3.05Å; Q558-Q562 WeakPolarHBondContact O-CB 3.34Å; Q558-Q562 VanDerWaalsContact O-CG 3.28Å; Q558-Q562 WeakPolarHBondContact O-CG 3.34Å; Q558-Q562 PolarHBondContact O-N 2.94Å |
| 559 | K | 88.6 | Confident | 85.6 | Confident | 110 Ų | 110 | 108.4 Ų | 108.4 | 48% | 0.478 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.4 | -40 | 174.2 | -72.7 | 159.8 | -175.5 | 159.5 | 0 | 110.7 | E555 L556 A563 | E555-K559 WeakPolarHBondContact O-CB 3.49Å; E555-K559 WeakPolarHBondContact O-CD 3.42Å; E555-K559 VanDerWaalsContact O-CG 3.27Å; E555-K559 WeakPolarHBondContact O-CG 3.43Å; E555-K559 PolarHBondContact O-N 2.82Å; E555-K559 IonicContact OE2-NZ 3.11Å; E555-K559 PolarHBondContact OE2-NZ 2.97Å; L556-K559 PolarHBondContact O-N 2.91Å; K559-A563 WeakPolarHBondContact O-CB 3.49Å; K559-A563 PolarHBondContact O-N 3.24Å |
| 560 | Y | 83.4 | Confident | 85.4 | Confident | 162 Ų | 162 | 106.6 Ų | 106.6 | 64% | 0.635 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.9 | -44.2 | 175.2 | 176.6 | -109.2 | 0 | 0 | 0 | 112.8 | L556 Q557 Q558 A563 K564 | L556-Y560 VanDerWaalsContact O-CB 3.28Å; L556-Y560 WeakPolarHBondContact O-CB 3.47Å; L556-Y560 PolarHBondContact O-N 2.85Å; Q557-Y560 PolarHBondContact O-N 3.47Å; Q558-Y560 VanDerWaalsContact C-N 3.31Å; Q558-Y560 PolarHBondContact O-N 3.36Å; Y560-A563 PolarHBondContact O-N 3.49Å; Y560-K564 WeakPolarHBondContact O-CB 3.35Å; Y560-K564 PolarHBondContact O-N 3.13Å |
| 561 | S | 86.5 | Confident | 85.1 | Confident | 51 Ų | 51 | 104 Ų | 104 | 36% | 0.357 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 177.2 | 68 | 0 | 0 | 0 | 0 | 111.7 | Q557 Q558 A563 K564 E565 | Q557-S561 PolarHBondContact O-N 3.44Å; Q557-S561 PolarHBondContact O-OG 3.43Å; Q558-S561 PolarHBondContact O-N 3.25Å; Q558-S561 PolarHBondContact O-OG 3.05Å; S561-A563 PolarHBondContact O-N 3Å; S561-K564 WeakPolarHBondContact O-CB 3.27Å; S561-K564 PolarHBondContact O-N 3.32Å; S561-E565 PolarHBondContact O-N 3.1Å |
| 562 | Q | 87.1 | Confident | 85 | Confident | 88 Ų | 88 | 103 Ų | 103 | 41% | 0.411 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | 173.3 | -70.8 | 177.2 | 18.1 | 0 | 0 | 112.7 | Q558 E565 K566 | Q558-Q562 WeakPolarHBondContact O-CB 3.34Å; Q558-Q562 VanDerWaalsContact O-CG 3.28Å; Q558-Q562 WeakPolarHBondContact O-CG 3.34Å; Q558-Q562 PolarHBondContact O-N 2.94Å; Q562-E565 PolarHBondContact O-N 3.28Å; Q562-K566 WeakPolarHBondContact O-CB 3.26Å; Q562-K566 VanDerWaalsContact O-CG 3.32Å; Q562-K566 WeakPolarHBondContact O-CG 3.23Å; Q562-K566 PolarHBondContact O-N 3.33Å |
| 563 | A | 83.6 | Confident | 84.8 | Confident | 53 Ų | 53 | 97.9 Ų | 97.9 | 44% | 0.438 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K559 Y560 S561 K566 L567 | K559-A563 WeakPolarHBondContact O-CB 3.49Å; K559-A563 PolarHBondContact O-N 3.24Å; Y560-A563 PolarHBondContact O-N 3.49Å; S561-A563 PolarHBondContact O-N 3Å; A563-K566 PolarHBondContact O-N 2.91Å; A563-L567 WeakPolarHBondContact O-CB 3.4Å; A563-L567 PolarHBondContact O-N 2.67Å |
| 564 | K | 85.1 | Confident | 84.6 | Confident | 107 Ų | 107 | 99.5 Ų | 99.5 | 47% | 0.465 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 175.6 | -175.4 | 178.7 | 179.3 | -178.5 | 0 | 111.8 | Y560 S561 L567 Q568 | Y560-K564 WeakPolarHBondContact O-CB 3.35Å; Y560-K564 PolarHBondContact O-N 3.13Å; S561-K564 WeakPolarHBondContact O-CB 3.27Å; S561-K564 PolarHBondContact O-N 3.32Å; K564-L567 PolarHBondContact O-N 3.24Å; K564-Q568 WeakPolarHBondContact O-CB 3.4Å; K564-Q568 VanDerWaalsContact O-CG 3.32Å; K564-Q568 WeakPolarHBondContact O-CG 3.35Å; K564-Q568 PolarHBondContact O-N 2.89Å |
| 565 | E | 86.9 | Confident | 84.4 | Confident | 90 Ų | 90 | 104.3 Ų | 104.3 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64 | -45.1 | 173.9 | -79.3 | -169.5 | -143.9 | 0 | 0 | 112.6 | S561 Q562 L567 Q568 R569 | S561-E565 PolarHBondContact O-N 3.1Å; Q562-E565 PolarHBondContact O-N 3.28Å; E565-L567 VanDerWaalsContact C-N 3.3Å; E565-L567 PolarHBondContact O-N 3.14Å; E565-Q568 PolarHBondContact O-N 3.34Å; E565-R569 WeakPolarHBondContact O-CB 3.26Å; E565-R569 VanDerWaalsContact O-CG 3.27Å; E565-R569 WeakPolarHBondContact O-CG 3.31Å; E565-R569 PolarHBondContact O-N 2.97Å; E565-R569 IonicContact OE2-CZ 3.19Å; E565-R569 IonicContact OE2-NE 2.76Å; E565-R569 IonicContact OE2-NH2 2.73Å; E565-R569 PolarHBondContact OE2-NH2 3.3Å |
| 566 | K | 86.8 | Confident | 84.1 | Confident | 146 Ų | 146 | 106.5 Ų | 106.5 | 64% | 0.635 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.3 | -43.9 | 175.8 | -75.6 | 169.3 | 176.8 | 173.2 | 0 | 111.1 | Q562 A563 R569 A570 | Q562-K566 WeakPolarHBondContact O-CB 3.26Å; Q562-K566 VanDerWaalsContact O-CG 3.32Å; Q562-K566 WeakPolarHBondContact O-CG 3.23Å; Q562-K566 PolarHBondContact O-N 3.33Å; A563-K566 PolarHBondContact O-N 2.91Å; K566-R569 PolarHBondContact O-N 2.92Å; K566-A570 WeakPolarHBondContact O-CB 3.37Å; K566-A570 PolarHBondContact O-N 3.28Å |
| 567 | L | 82.2 | Confident | 83.8 | Confident | 125 Ų | 125 | 109.8 Ų | 109.8 | 65% | 0.654 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64 | -42.8 | 175.7 | -175.5 | 65.1 | 0 | 0 | 0 | 112.3 | A563 K564 E565 A570 A571 | A563-L567 WeakPolarHBondContact O-CB 3.4Å; A563-L567 PolarHBondContact O-N 2.67Å; K564-L567 PolarHBondContact O-N 3.24Å; E565-L567 VanDerWaalsContact C-N 3.3Å; E565-L567 PolarHBondContact O-N 3.14Å; L567-A570 PolarHBondContact O-N 2.88Å; L567-A571 WeakPolarHBondContact O-CB 3.38Å; L567-A571 PolarHBondContact O-N 3.37Å |
| 568 | Q | 81.9 | Confident | 83.9 | Confident | 110 Ų | 110 | 110.7 Ų | 110.7 | 51% | 0.514 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 175.6 | -76.3 | 178.1 | -12.3 | 0 | 0 | 112.2 | K564 E565 A570 A571 V572 | K564-Q568 WeakPolarHBondContact O-CB 3.4Å; K564-Q568 VanDerWaalsContact O-CG 3.32Å; K564-Q568 WeakPolarHBondContact O-CG 3.35Å; K564-Q568 PolarHBondContact O-N 2.89Å; E565-Q568 PolarHBondContact O-N 3.34Å; Q568-A570 VanDerWaalsContact C-N 3.35Å; Q568-A570 PolarHBondContact O-N 2.84Å; Q568-A571 PolarHBondContact O-N 2.86Å; Q568-V572 WeakPolarHBondContact O-CG2 3.45Å; Q568-V572 PolarHBondContact O-N 2.92Å |
| 569 | R | 83.4 | Confident | 83.6 | Confident | 168 Ų | 168 | 110.2 Ų | 110.2 | 63% | 0.634 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.9 | -42.2 | 175.2 | -67.4 | 173.2 | -160.9 | -165.7 | 7.4 | 111.1 | E565 K566 V572 A573 | E565-R569 WeakPolarHBondContact O-CB 3.26Å; E565-R569 VanDerWaalsContact O-CG 3.27Å; E565-R569 WeakPolarHBondContact O-CG 3.31Å; E565-R569 PolarHBondContact O-N 2.97Å; E565-R569 IonicContact OE2-CZ 3.19Å; E565-R569 IonicContact OE2-NE 2.76Å; E565-R569 IonicContact OE2-NH2 2.73Å; E565-R569 PolarHBondContact OE2-NH2 3.3Å; K566-R569 PolarHBondContact O-N 2.92Å; R569-V572 PolarHBondContact O-N 2.96Å; R569-A573 WeakPolarHBondContact O-CB 3.46Å; R569-A573 PolarHBondContact O-N 3.26Å |
| 570 | A | 79.5 | Confident | 83.2 | Confident | 55 Ų | 55 | 109.8 Ų | 109.8 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K566 L567 Q568 V572 A573 Q574 | K566-A570 WeakPolarHBondContact O-CB 3.37Å; K566-A570 PolarHBondContact O-N 3.28Å; L567-A570 PolarHBondContact O-N 2.88Å; Q568-A570 VanDerWaalsContact C-N 3.35Å; Q568-A570 PolarHBondContact O-N 2.84Å; A570-V572 PolarHBondContact O-N 2.9Å; A570-A573 PolarHBondContact O-N 3.42Å; A570-Q574 WeakPolarHBondContact O-CB 3.36Å; A570-Q574 PolarHBondContact O-N 3.3Å |
| 571 | A | 79.6 | Confident | 83.1 | Confident | 42 Ų | 42 | 105.1 Ų | 105.1 | 35% | 0.347 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L567 Q568 Q574 K575 | L567-A571 WeakPolarHBondContact O-CB 3.38Å; L567-A571 PolarHBondContact O-N 3.37Å; Q568-A571 PolarHBondContact O-N 2.86Å; A571-Q574 PolarHBondContact O-N 3.1Å; A571-K575 WeakPolarHBondContact O-CG 3.2Å; A571-K575 PolarHBondContact O-N 2.87Å |
| 572 | V | 83.9 | Confident | 83 | Confident | 99 Ų | 99 | 105.5 Ų | 105.5 | 60% | 0.6 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.5 | -42.2 | 173.3 | 171.3 | 0 | 0 | 0 | 0 | 111 | Q568 R569 A570 Q574 K575 K576 | Q568-V572 WeakPolarHBondContact O-CG2 3.45Å; Q568-V572 PolarHBondContact O-N 2.92Å; R569-V572 PolarHBondContact O-N 2.96Å; A570-V572 PolarHBondContact O-N 2.9Å; V572-Q574 VanDerWaalsContact C-N 3.33Å; V572-Q574 PolarHBondContact O-N 3.47Å; V572-K575 PolarHBondContact O-N 2.77Å; V572-K576 WeakPolarHBondContact O-CB 3.48Å; V572-K576 PolarHBondContact O-N 3.29Å |
| 573 | A | 83.7 | Confident | 82.9 | Confident | 48 Ų | 48 | 104 Ų | 104 | 40% | 0.397 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | R569 A570 K576 R577 | R569-A573 WeakPolarHBondContact O-CB 3.46Å; R569-A573 PolarHBondContact O-N 3.26Å; A570-A573 PolarHBondContact O-N 3.42Å; A573-K576 PolarHBondContact O-N 2.95Å; A573-R577 WeakPolarHBondContact O-CG 3.28Å; A573-R577 PolarHBondContact O-N 3.42Å |
| 574 | Q | 80.4 | Confident | 83 | Confident | 142 Ų | 142 | 109.8 Ų | 109.8 | 66% | 0.664 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.4 | -40.4 | 176.1 | -169 | 171.3 | 4.6 | 0 | 0 | 112.2 | A570 A571 V572 K576 R577 K578 | A570-Q574 WeakPolarHBondContact O-CB 3.36Å; A570-Q574 PolarHBondContact O-N 3.3Å; A571-Q574 PolarHBondContact O-N 3.1Å; V572-Q574 VanDerWaalsContact C-N 3.33Å; V572-Q574 PolarHBondContact O-N 3.47Å; Q574-K576 VanDerWaalsContact C-N 3.33Å; Q574-K576 PolarHBondContact O-N 2.84Å; Q574-R577 PolarHBondContact O-N 3.04Å; Q574-K578 WeakPolarHBondContact O-CB 3.49Å; Q574-K578 PolarHBondContact O-N 2.93Å |
| 575 | K | 83.1 | Confident | 82.7 | Confident | 157 Ų | 157 | 110.2 Ų | 110.2 | 68% | 0.683 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.5 | -42.2 | 170.5 | -76.3 | -179.2 | 179.9 | -176 | 0 | 111.7 | A571 V572 K578 H579 | A571-K575 WeakPolarHBondContact O-CG 3.2Å; A571-K575 PolarHBondContact O-N 2.87Å; V572-K575 PolarHBondContact O-N 2.77Å; K575-K578 PolarHBondContact O-N 3.41Å; K575-H579 WeakPolarHBondContact O-CB 3.21Å; K575-H579 PolarHBondContact O-N 2.96Å |
| 576 | K | 83.4 | Confident | 82.7 | Confident | 143 Ų | 143 | 111.5 Ų | 111.5 | 62% | 0.622 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.3 | -42.9 | 176.6 | -167.1 | 176.8 | -175.5 | 179.3 | 0 | 111.9 | V572 A573 Q574 H579 Q580 | V572-K576 WeakPolarHBondContact O-CB 3.48Å; V572-K576 PolarHBondContact O-N 3.29Å; A573-K576 PolarHBondContact O-N 2.95Å; Q574-K576 VanDerWaalsContact C-N 3.33Å; Q574-K576 PolarHBondContact O-N 2.84Å; K576-H579 PolarHBondContact O-N 3.47Å; K576-Q580 WeakPolarHBondContact O-CG 3.4Å; K576-Q580 PolarHBondContact O-N 3.4Å |
| 577 | R | 79.2 | Confident | 82.7 | Confident | 184 Ų | 184 | 112.1 Ų | 112.1 | 69% | 0.694 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.3 | -47.5 | 173.9 | -73.9 | 177.6 | 179.2 | -177.7 | -0.3 | 111.7 | A573 Q574 H579 Q580 T581 | A573-R577 WeakPolarHBondContact O-CG 3.28Å; A573-R577 PolarHBondContact O-N 3.42Å; Q574-R577 PolarHBondContact O-N 3.04Å; R577-H579 PolarHBondContact O-N 2.93Å; R577-Q580 WeakPolarHBondContact O-CB 3.45Å; R577-Q580 PolarHBondContact O-N 2.82Å; R577-Q580 VanDerWaalsContact O-N 3.11Å; R577-T581 PolarHBondContact O-N 3.15Å; R577-T581 PolarHBondContact O-OG1 3.26Å |
| 578 | K | 84.3 | Confident | 82.7 | Confident | 131 Ų | 131 | 111.3 Ų | 111.3 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.3 | -44.8 | 176.4 | 176.5 | 169.6 | 172.1 | 169 | 0 | 112.1 | Q574 K575 Q580 T581 E582 | Q574-K578 WeakPolarHBondContact O-CB 3.49Å; Q574-K578 PolarHBondContact O-N 2.93Å; K575-K578 PolarHBondContact O-N 3.41Å; K578-Q580 VanDerWaalsContact C-N 3.3Å; K578-Q580 PolarHBondContact O-N 2.87Å; K578-T581 PolarHBondContact O-N 3.21Å; K578-T581 PolarHBondContact O-OG1 3.03Å; K578-E582 WeakPolarHBondContact CE-OE1 3.27Å; K578-E582 HydrophobicContact CG-CG 4.36Å; K578-E582 WeakPolarHBondContact CG-OE1 3.44Å; K578-E582 IonicContact NZ-OE1 3.64Å; K578-E582 WeakPolarHBondContact O-CB 3.41Å; K578-E582 VanDerWaalsContact O-CG 3.3Å; K578-E582 WeakPolarHBondContact O-CG 3.42Å; K578-E582 PolarHBondContact O-N 3.23Å |
| 579 | H | 82.4 | Confident | 82.6 | Confident | 103 Ų | 103 | 111 Ų | 111 | 48% | 0.477 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.7 | -34 | 176.5 | -170.7 | 57.4 | 0 | 0 | 0 | 112.6 | K575 K576 R577 N583 | K575-H579 WeakPolarHBondContact O-CB 3.21Å; K575-H579 PolarHBondContact O-N 2.96Å; K576-H579 PolarHBondContact O-N 3.47Å; R577-H579 PolarHBondContact O-N 2.93Å; H579-N583 PolarHBondContact CD2-ND2 3.45Å; H579-N583 PolarHBondContact CE1-ND2 3.33Å; H579-N583 VanDerWaalsContact CE1-ND2 3.34Å; H579-N583 PolarHBondContact NE2-ND2 3.47Å; H579-N583 VanDerWaalsContact O-CB 3.28Å; H579-N583 WeakPolarHBondContact O-CB 3.44Å; H579-N583 PolarHBondContact O-N 2.9Å; H579-N583 PolarHBondContact O-ND2 2.82Å |
| 580 | Q | 80.9 | Confident | 82.8 | Confident | 101 Ų | 101 | 107.3 Ų | 107.3 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.9 | -37.1 | 173.7 | -74.8 | 175.2 | -16.8 | 0 | 0 | 112.9 | K576 R577 K578 R584 | K576-Q580 WeakPolarHBondContact O-CG 3.4Å; K576-Q580 PolarHBondContact O-N 3.4Å; R577-Q580 WeakPolarHBondContact O-CB 3.45Å; R577-Q580 PolarHBondContact O-N 2.82Å; R577-Q580 VanDerWaalsContact O-N 3.11Å; K578-Q580 VanDerWaalsContact C-N 3.3Å; K578-Q580 PolarHBondContact O-N 2.87Å; Q580-R584 VanDerWaalsContact O-CG 3.3Å; Q580-R584 WeakPolarHBondContact O-CG 3.38Å; Q580-R584 PolarHBondContact O-N 2.89Å; Q580-R584 VanDerWaalsContact O-N 3.14Å |
| 581 | T | 80.2 | Confident | 83.2 | Confident | 64 Ų | 64 | 111.1 Ų | 111.1 | 39% | 0.393 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.8 | -47.2 | 174.3 | 55.1 | 0 | 0 | 0 | 0 | 111.2 | R577 K578 N583 R584 E585 | R577-T581 PolarHBondContact O-N 3.15Å; R577-T581 PolarHBondContact O-OG1 3.26Å; K578-T581 PolarHBondContact O-N 3.21Å; K578-T581 PolarHBondContact O-OG1 3.03Å; T581-N583 VanDerWaalsContact C-N 3.27Å; T581-N583 PolarHBondContact O-N 2.93Å; T581-R584 CarbonylContact O-C 3.46Å; T581-R584 WeakPolarHBondContact O-CA 3.41Å; T581-R584 WeakPolarHBondContact O-CB 3.47Å; T581-R584 PolarHBondContact O-N 2.84Å; T581-E585 WeakPolarHBondContact O-CG 3.32Å; T581-E585 PolarHBondContact O-N 3.4Å |
| 582 | E | 84.8 | Confident | 83.4 | Confident | 60 Ų | 60 | 113 Ų | 113 | 28% | 0.28 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -55.7 | -39.9 | 174.7 | -74.1 | 172.6 | -180 | 0 | 0 | 112.3 | K578 K586 | K578-E582 WeakPolarHBondContact CE-OE1 3.27Å; K578-E582 HydrophobicContact CG-CG 4.36Å; K578-E582 WeakPolarHBondContact CG-OE1 3.44Å; K578-E582 IonicContact NZ-OE1 3.64Å; K578-E582 WeakPolarHBondContact O-CB 3.41Å; K578-E582 VanDerWaalsContact O-CG 3.3Å; K578-E582 WeakPolarHBondContact O-CG 3.42Å; K578-E582 PolarHBondContact O-N 3.23Å; E582-K586 WeakPolarHBondContact O-CB 3.29Å; E582-K586 VanDerWaalsContact O-CG 3.24Å; E582-K586 WeakPolarHBondContact O-CG 3.35Å; E582-K586 PolarHBondContact O-N 2.85Å |
| 583 | N | 84.9 | Confident | 83.3 | Confident | 57 Ų | 57 | 112.9 Ų | 112.9 | 31% | 0.305 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -73.1 | -26.7 | 176.8 | -73.3 | -17.9 | 0 | 0 | 0 | 113 | H579 T581 K587 | H579-N583 PolarHBondContact CD2-ND2 3.45Å; H579-N583 PolarHBondContact CE1-ND2 3.33Å; H579-N583 VanDerWaalsContact CE1-ND2 3.34Å; H579-N583 PolarHBondContact NE2-ND2 3.47Å; H579-N583 VanDerWaalsContact O-CB 3.28Å; H579-N583 WeakPolarHBondContact O-CB 3.44Å; H579-N583 PolarHBondContact O-N 2.9Å; H579-N583 PolarHBondContact O-ND2 2.82Å; T581-N583 VanDerWaalsContact C-N 3.27Å; T581-N583 PolarHBondContact O-N 2.93Å; N583-K587 VanDerWaalsContact O-CG 3.26Å; N583-K587 WeakPolarHBondContact O-CG 3.28Å; N583-K587 PolarHBondContact O-N 3.45Å |
| 584 | R | 87.1 | Confident | 83.3 | Confident | 173 Ų | 173 | 116.7 Ų | 116.7 | 65% | 0.653 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -73.5 | -45 | 170.9 | -75 | 170.7 | 178.2 | -176.8 | -1 | 110.6 | Q580 T581 K587 L588 | Q580-R584 VanDerWaalsContact O-CG 3.3Å; Q580-R584 WeakPolarHBondContact O-CG 3.38Å; Q580-R584 PolarHBondContact O-N 2.89Å; Q580-R584 VanDerWaalsContact O-N 3.14Å; T581-R584 CarbonylContact O-C 3.46Å; T581-R584 WeakPolarHBondContact O-CA 3.41Å; T581-R584 WeakPolarHBondContact O-CB 3.47Å; T581-R584 PolarHBondContact O-N 2.84Å; R584-K587 WeakPolarHBondContact O-CB 3.45Å; R584-K587 PolarHBondContact O-N 2.97Å; R584-L588 WeakPolarHBondContact O-CG 3.44Å; R584-L588 PolarHBondContact O-N 3.03Å |
| 585 | E | 78.9 | Confident | 83.3 | Confident | 117 Ų | 117 | 114.4 Ų | 114.4 | 55% | 0.547 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.6 | -48.2 | 174.6 | -72.4 | 160.7 | -167.7 | 0 | 0 | 111.3 | T581 K587 L588 H589 | T581-E585 WeakPolarHBondContact O-CG 3.32Å; T581-E585 PolarHBondContact O-N 3.4Å; E585-K587 VanDerWaalsContact C-N 3.34Å; E585-K587 PolarHBondContact O-N 3.09Å; E585-L588 PolarHBondContact O-N 2.83Å; E585-L588 VanDerWaalsContact O-N 3.16Å; E585-H589 WeakPolarHBondContact O-CB 3.44Å; E585-H589 PolarHBondContact O-N 3.17Å |
| 586 | K | 86 | Confident | 83.2 | Confident | 117 Ų | 117 | 111.8 Ų | 111.8 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.7 | -41 | 174.1 | -74.9 | 166.9 | -178.3 | 170.6 | 0 | 112.9 | E582 H589 N590 | E582-K586 WeakPolarHBondContact O-CB 3.29Å; E582-K586 VanDerWaalsContact O-CG 3.24Å; E582-K586 WeakPolarHBondContact O-CG 3.35Å; E582-K586 PolarHBondContact O-N 2.85Å; K586-H589 PolarHBondContact O-N 2.85Å; K586-N590 WeakPolarHBondContact O-CB 3.42Å; K586-N590 PolarHBondContact O-N 2.96Å; K586-N590 PolarHBondContact O-OD1 3.22Å |
| 587 | K | 86.5 | Confident | 83.1 | Confident | 158 Ų | 158 | 107.5 Ų | 107.5 | 69% | 0.687 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.1 | -39.6 | 175.4 | -76.4 | 175.2 | -179.1 | -170.2 | 0 | 112.3 | N583 R584 E585 K591 | N583-K587 VanDerWaalsContact O-CG 3.26Å; N583-K587 WeakPolarHBondContact O-CG 3.28Å; N583-K587 PolarHBondContact O-N 3.45Å; R584-K587 WeakPolarHBondContact O-CB 3.45Å; R584-K587 PolarHBondContact O-N 2.97Å; E585-K587 VanDerWaalsContact C-N 3.34Å; E585-K587 PolarHBondContact O-N 3.09Å; K587-K591 WeakPolarHBondContact O-CB 3.47Å; K587-K591 PolarHBondContact O-N 2.85Å; K587-K591 VanDerWaalsContact O-N 3.09Å |
| 588 | L | 82 | Confident | 83.3 | Confident | 109 Ų | 109 | 104.8 Ų | 104.8 | 57% | 0.571 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.7 | -42.4 | 175.7 | -69.1 | 172.1 | 0 | 0 | 0 | 111.4 | R584 E585 K591 I592 | R584-L588 WeakPolarHBondContact O-CG 3.44Å; R584-L588 PolarHBondContact O-N 3.03Å; E585-L588 PolarHBondContact O-N 2.83Å; E585-L588 VanDerWaalsContact O-N 3.16Å; L588-K591 CarbonylContact O-C 3.57Å; L588-K591 WeakPolarHBondContact O-CB 3.31Å; L588-K591 PolarHBondContact O-N 3.22Å; L588-K591 VanDerWaalsContact O-N 3.14Å; L588-I592 WeakPolarHBondContact O-CG1 3.14Å; L588-I592 PolarHBondContact O-N 3.46Å |
| 589 | H | 81 | Confident | 83 | Confident | 103 Ų | 103 | 102.9 Ų | 102.9 | 48% | 0.477 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 176.8 | -169.2 | 67.2 | 0 | 0 | 0 | 111.8 | E585 K586 K591 I592 Q593 | E585-H589 WeakPolarHBondContact O-CB 3.44Å; E585-H589 PolarHBondContact O-N 3.17Å; K586-H589 PolarHBondContact O-N 2.85Å; H589-K591 VanDerWaalsContact C-N 3.25Å; H589-K591 PolarHBondContact O-N 3.27Å; H589-I592 WeakPolarHBondContact O-CB 3.38Å; H589-I592 PolarHBondContact O-N 3.34Å; H589-I592 VanDerWaalsContact O-N 3.15Å; H589-Q593 PolarHBondContact CD2-NE2 2.99Å; H589-Q593 VanDerWaalsContact CD2-NE2 3.31Å; H589-Q593 PolarHBondContact NE2-NE2 2.88Å; H589-Q593 WeakPolarHBondContact O-CG 3.44Å; H589-Q593 PolarHBondContact O-N 3.33Å |
| 590 | N | 86.4 | Confident | 83.1 | Confident | 90 Ų | 90 | 103.9 Ų | 103.9 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.9 | -33.3 | 173.7 | -67 | 6.7 | 0 | 0 | 0 | 112.2 | K586 L594 | K586-N590 WeakPolarHBondContact O-CB 3.42Å; K586-N590 PolarHBondContact O-N 2.96Å; K586-N590 PolarHBondContact O-OD1 3.22Å; N590-L594 WeakPolarHBondContact O-CB 3.28Å; N590-L594 PolarHBondContact O-N 2.72Å |
| 591 | K | 89.4 | Confident | 82.9 | Confident | 135 Ų | 135 | 104.2 Ų | 104.2 | 59% | 0.587 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -72 | -35.9 | 175.3 | -169.8 | 176.8 | -178.4 | -177.5 | 0 | 112 | K587 L588 H589 L595 | K587-K591 WeakPolarHBondContact O-CB 3.47Å; K587-K591 PolarHBondContact O-N 2.85Å; K587-K591 VanDerWaalsContact O-N 3.09Å; L588-K591 CarbonylContact O-C 3.57Å; L588-K591 WeakPolarHBondContact O-CB 3.31Å; L588-K591 PolarHBondContact O-N 3.22Å; L588-K591 VanDerWaalsContact O-N 3.14Å; H589-K591 VanDerWaalsContact C-N 3.25Å; H589-K591 PolarHBondContact O-N 3.27Å; K591-L595 HydrophobicContact CG-CD1 4.44Å; K591-L595 VanDerWaalsContact O-CG 3.28Å; K591-L595 WeakPolarHBondContact O-CG 3.42Å; K591-L595 PolarHBondContact O-N 2.65Å |
| 592 | I | 81.9 | Confident | 82.8 | Confident | 83 Ų | 83 | 105.8 Ų | 105.8 | 43% | 0.426 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.2 | -52.2 | 172 | -72.4 | 158.7 | 0 | 0 | 0 | 109.5 | L588 H589 L594 L595 E596 | L588-I592 WeakPolarHBondContact O-CG1 3.14Å; L588-I592 PolarHBondContact O-N 3.46Å; H589-I592 WeakPolarHBondContact O-CB 3.38Å; H589-I592 PolarHBondContact O-N 3.34Å; H589-I592 VanDerWaalsContact O-N 3.15Å; I592-L594 VanDerWaalsContact C-N 3.29Å; I592-L594 PolarHBondContact O-N 2.71Å; I592-L595 CarbonylContact O-C 3.56Å; I592-L595 WeakPolarHBondContact O-CA 3.44Å; I592-L595 WeakPolarHBondContact O-CB 3.28Å; I592-L595 PolarHBondContact O-N 2.99Å; I592-E596 HydrophobicContact CG2-CG 4.18Å; I592-E596 VanDerWaalsContact CG2-OE1 3.32Å; I592-E596 WeakPolarHBondContact CG2-OE1 3.19Å; I592-E596 WeakPolarHBondContact O-CG 3.27Å; I592-E596 PolarHBondContact O-N 3.35Å |
| 593 | Q | 83.6 | Confident | 82.5 | Confident | 95 Ų | 95 | 109 Ų | 109 | 44% | 0.444 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -55.8 | -40 | 176.2 | -69.7 | 178.6 | -3.4 | 0 | 0 | 113.1 | H589 L595 E596 A597 | H589-Q593 PolarHBondContact CD2-NE2 2.99Å; H589-Q593 VanDerWaalsContact CD2-NE2 3.31Å; H589-Q593 PolarHBondContact NE2-NE2 2.88Å; H589-Q593 WeakPolarHBondContact O-CG 3.44Å; H589-Q593 PolarHBondContact O-N 3.33Å; Q593-L595 VanDerWaalsContact C-N 3.33Å; Q593-L595 PolarHBondContact O-N 2.89Å; Q593-E596 WeakPolarHBondContact CA-OE2 3.49Å; Q593-E596 PolarHBondContact O-N 2.86Å; Q593-A597 WeakPolarHBondContact O-CB 3.46Å; Q593-A597 PolarHBondContact O-N 3.25Å |
| 594 | L | 82.8 | Confident | 82.1 | Confident | 128 Ų | 128 | 112.3 Ų | 112.3 | 67% | 0.67 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.4 | -32 | 174.5 | -90.2 | 162.8 | 0 | 0 | 0 | 113.4 | N590 I592 K598 | N590-L594 WeakPolarHBondContact O-CB 3.28Å; N590-L594 PolarHBondContact O-N 2.72Å; I592-L594 VanDerWaalsContact C-N 3.29Å; I592-L594 PolarHBondContact O-N 2.71Å; L594-K598 VanDerWaalsContact O-CB 3.31Å; L594-K598 WeakPolarHBondContact O-CB 3.36Å; L594-K598 PolarHBondContact O-N 3.25Å |
| 595 | L | 81.1 | Confident | 81.5 | Confident | 94 Ų | 94 | 108.9 Ų | 108.9 | 49% | 0.492 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -78.1 | -39.2 | 175.2 | -71.5 | 169.2 | 0 | 0 | 0 | 111.2 | K591 I592 Q593 K598 I599 | K591-L595 HydrophobicContact CG-CD1 4.44Å; K591-L595 VanDerWaalsContact O-CG 3.28Å; K591-L595 WeakPolarHBondContact O-CG 3.42Å; K591-L595 PolarHBondContact O-N 2.65Å; I592-L595 CarbonylContact O-C 3.56Å; I592-L595 WeakPolarHBondContact O-CA 3.44Å; I592-L595 WeakPolarHBondContact O-CB 3.28Å; I592-L595 PolarHBondContact O-N 2.99Å; Q593-L595 VanDerWaalsContact C-N 3.33Å; Q593-L595 PolarHBondContact O-N 2.89Å; L595-K598 CarbonylContact O-C 3.55Å; L595-K598 PolarHBondContact O-N 3.49Å; L595-I599 VanDerWaalsContact O-CG1 3.29Å; L595-I599 WeakPolarHBondContact O-CG1 3.21Å; L595-I599 PolarHBondContact O-N 3.31Å |
| 596 | E | 81.4 | Confident | 81.1 | Confident | 103 Ų | 103 | 105.6 Ų | 105.6 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.5 | -52.2 | 173.1 | -70.8 | 167.2 | 160.6 | 0 | 0 | 110.6 | I592 Q593 K598 I599 E600 | I592-E596 HydrophobicContact CG2-CG 4.18Å; I592-E596 VanDerWaalsContact CG2-OE1 3.32Å; I592-E596 WeakPolarHBondContact CG2-OE1 3.19Å; I592-E596 WeakPolarHBondContact O-CG 3.27Å; I592-E596 PolarHBondContact O-N 3.35Å; Q593-E596 WeakPolarHBondContact CA-OE2 3.49Å; Q593-E596 PolarHBondContact O-N 2.86Å; E596-K598 PolarHBondContact O-N 2.78Å; E596-I599 WeakPolarHBondContact O-CA 3.32Å; E596-I599 WeakPolarHBondContact O-CB 3.39Å; E596-I599 PolarHBondContact O-N 3.22Å; E596-E600 PolarHBondContact O-N 3.44Å |
| 597 | A | 79.4 | Confident | 80.3 | Confident | 52 Ų | 52 | 102.1 Ų | 102.1 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.8 | -30.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q593 Q601 | Q593-A597 WeakPolarHBondContact O-CB 3.46Å; Q593-A597 PolarHBondContact O-N 3.25Å; A597-Q601 WeakPolarHBondContact O-CB 3.44Å; A597-Q601 PolarHBondContact O-N 3.05Å |
| 598 | K | 83.9 | Confident | 79.4 | Confident | 127 Ų | 127 | 96.7 Ų | 96.7 | 55% | 0.552 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -77.3 | -31.4 | 175.2 | -167.6 | 170.7 | -174.3 | 176.8 | 0 | 112.5 | L594 L595 E596 L602 | L594-K598 VanDerWaalsContact O-CB 3.31Å; L594-K598 WeakPolarHBondContact O-CB 3.36Å; L594-K598 PolarHBondContact O-N 3.25Å; L595-K598 CarbonylContact O-C 3.55Å; L595-K598 PolarHBondContact O-N 3.49Å; E596-K598 PolarHBondContact O-N 2.78Å; K598-L602 WeakPolarHBondContact O-CB 3.49Å; K598-L602 VanDerWaalsContact O-CG 3.26Å; K598-L602 WeakPolarHBondContact O-CG 3.35Å; K598-L602 PolarHBondContact O-N 2.85Å |
| 599 | I | 79.5 | Confident | 78.6 | Confident | 91 Ų | 91 | 94 Ų | 94 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.7 | -48.9 | 169.8 | -70.5 | 162.2 | 0 | 0 | 0 | 109.1 | L595 E596 Q601 L602 E603 | L595-I599 VanDerWaalsContact O-CG1 3.29Å; L595-I599 WeakPolarHBondContact O-CG1 3.21Å; L595-I599 PolarHBondContact O-N 3.31Å; E596-I599 WeakPolarHBondContact O-CA 3.32Å; E596-I599 WeakPolarHBondContact O-CB 3.39Å; E596-I599 PolarHBondContact O-N 3.22Å; I599-Q601 VanDerWaalsContact C-N 3.3Å; I599-Q601 PolarHBondContact O-N 2.94Å; I599-L602 CarbonylContact O-C 3.24Å; I599-L602 PolarHBondContact O-N 3.21Å; I599-E603 HydrophobicContact CG2-CG 4.3Å; I599-E603 WeakPolarHBondContact O-CG 3.25Å; I599-E603 PolarHBondContact O-N 3.37Å |
| 600 | E | 82.4 | Confident | 77.7 | Confident | 125 Ų | 125 | 94.7 Ų | 94.7 | 58% | 0.584 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -55.9 | -42.6 | 174.5 | -70.2 | -178 | 167.3 | 0 | 0 | 112 | E596 E603 L604 | E596-E600 PolarHBondContact O-N 3.44Å; E600-E603 PolarHBondContact O-N 2.75Å; E600-L604 WeakPolarHBondContact O-CB 3.27Å; E600-L604 VanDerWaalsContact O-CG 3.29Å; E600-L604 WeakPolarHBondContact O-CG 3.35Å; E600-L604 PolarHBondContact O-N 3.21Å |
| 601 | Q | 78.4 | Confident | 76.5 | Confident | 108 Ų | 108 | 97.6 Ų | 97.6 | 51% | 0.505 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 174 | -175.1 | -175.7 | -18.5 | 0 | 0 | 111.9 | A597 I599 E603 L604 E605 | A597-Q601 WeakPolarHBondContact O-CB 3.44Å; A597-Q601 PolarHBondContact O-N 3.05Å; I599-Q601 VanDerWaalsContact C-N 3.3Å; I599-Q601 PolarHBondContact O-N 2.94Å; Q601-E603 VanDerWaalsContact C-N 3.33Å; Q601-E603 PolarHBondContact O-N 3.47Å; Q601-L604 PolarHBondContact O-N 2.85Å; Q601-E605 WeakPolarHBondContact CG-OE1 3.41Å; Q601-E605 PolarHBondContact NE2-OE1 3.31Å; Q601-E605 WeakPolarHBondContact O-CB 3.38Å; Q601-E605 WeakPolarHBondContact O-CG 3.49Å; Q601-E605 PolarHBondContact O-N 2.86Å |
| 602 | L | 77.6 | Confident | 75.1 | Confident | 97 Ų | 97 | 100.5 Ų | 100.5 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.4 | -33.1 | 178.3 | -73.2 | 168.3 | 0 | 0 | 0 | 112.4 | K598 I599 E605 A606 | K598-L602 WeakPolarHBondContact O-CB 3.49Å; K598-L602 VanDerWaalsContact O-CG 3.26Å; K598-L602 WeakPolarHBondContact O-CG 3.35Å; K598-L602 PolarHBondContact O-N 2.85Å; I599-L602 CarbonylContact O-C 3.24Å; I599-L602 PolarHBondContact O-N 3.21Å; L602-E605 PolarHBondContact O-N 3.18Å; L602-A606 VanDerWaalsContact O-CB 3.25Å; L602-A606 WeakPolarHBondContact O-CB 3.48Å; L602-A606 PolarHBondContact O-N 2.88Å |
| 603 | E | 78.4 | Confident | 74 | Confident | 126 Ų | 126 | 106.4 Ų | 106.4 | 59% | 0.589 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.8 | -40 | 173 | -73.5 | -177.8 | 170.9 | 0 | 0 | 111.8 | I599 E600 Q601 A606 A607 | I599-E603 HydrophobicContact CG2-CG 4.3Å; I599-E603 WeakPolarHBondContact O-CG 3.25Å; I599-E603 PolarHBondContact O-N 3.37Å; E600-E603 PolarHBondContact O-N 2.75Å; Q601-E603 VanDerWaalsContact C-N 3.33Å; Q601-E603 PolarHBondContact O-N 3.47Å; E603-A606 PolarHBondContact O-N 2.82Å; E603-A607 VanDerWaalsContact O-CB 3.28Å; E603-A607 WeakPolarHBondContact O-CB 3.46Å; E603-A607 PolarHBondContact O-N 3.48Å |
| 604 | L | 75.6 | Confident | 72.7 | Confident | 127 Ų | 127 | 104.8 Ų | 104.8 | 67% | 0.665 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.6 | -40.1 | 172.4 | -71.9 | 170.5 | 0 | 0 | 0 | 111.9 | E600 Q601 A607 A608 | E600-L604 WeakPolarHBondContact O-CB 3.27Å; E600-L604 VanDerWaalsContact O-CG 3.29Å; E600-L604 WeakPolarHBondContact O-CG 3.35Å; E600-L604 PolarHBondContact O-N 3.21Å; Q601-L604 PolarHBondContact O-N 2.85Å; L604-A607 PolarHBondContact O-N 3.03Å; L604-A608 WeakPolarHBondContact O-CB 3.36Å; L604-A608 PolarHBondContact O-N 3.15Å |
| 605 | E | 74.3 | Confident | 71.6 | Confident | 102 Ų | 102 | 102.3 Ų | 102.3 | 48% | 0.477 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66 | -40.4 | 173.8 | -74.5 | 175.2 | -163.8 | 0 | 0 | 111.7 | Q601 L602 A608 A609 | Q601-E605 WeakPolarHBondContact CG-OE1 3.41Å; Q601-E605 PolarHBondContact NE2-OE1 3.31Å; Q601-E605 WeakPolarHBondContact O-CB 3.38Å; Q601-E605 WeakPolarHBondContact O-CG 3.49Å; Q601-E605 PolarHBondContact O-N 2.86Å; L602-E605 PolarHBondContact O-N 3.18Å; E605-A608 PolarHBondContact O-N 2.92Å; E605-A609 WeakPolarHBondContact O-CB 3.28Å; E605-A609 PolarHBondContact O-N 3.43Å |
| 606 | A | 70.4 | Confident | 70.5 | Confident | 47 Ų | 47 | 104.2 Ų | 104.2 | 39% | 0.388 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L602 E603 A608 A609 I610 | L602-A606 VanDerWaalsContact O-CB 3.25Å; L602-A606 WeakPolarHBondContact O-CB 3.48Å; L602-A606 PolarHBondContact O-N 2.88Å; E603-A606 PolarHBondContact O-N 2.82Å; A606-A608 VanDerWaalsContact C-N 3.31Å; A606-A608 PolarHBondContact O-N 3.42Å; A606-A609 WeakPolarHBondContact O-CB 3.43Å; A606-A609 PolarHBondContact O-N 3.09Å; A606-I610 VanDerWaalsContact O-CG1 3.29Å; A606-I610 WeakPolarHBondContact O-CG1 3.23Å; A606-I610 PolarHBondContact O-N 3.4Å |
| 607 | A | 70.2 | Confident | 69.4 | Low | 44 Ų | 44 | 103 Ų | 103 | 36% | 0.364 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.3 | -36.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E603 L604 I610 K611 | E603-A607 VanDerWaalsContact O-CB 3.28Å; E603-A607 WeakPolarHBondContact O-CB 3.46Å; E603-A607 PolarHBondContact O-N 3.48Å; L604-A607 PolarHBondContact O-N 3.03Å; A607-I610 PolarHBondContact O-N 2.82Å; A607-K611 WeakPolarHBondContact O-CG 3.47Å; A607-K611 PolarHBondContact O-N 2.89Å |
| 608 | A | 67.9 | Low | 68.5 | Low | 45 Ų | 45 | 106.7 Ų | 106.7 | 37% | 0.372 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.6 | -38.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L604 E605 A606 K611 R612 | L604-A608 WeakPolarHBondContact O-CB 3.36Å; L604-A608 PolarHBondContact O-N 3.15Å; E605-A608 PolarHBondContact O-N 2.92Å; A606-A608 VanDerWaalsContact C-N 3.31Å; A606-A608 PolarHBondContact O-N 3.42Å; A608-K611 PolarHBondContact O-N 3.17Å; A608-R612 WeakPolarHBondContact O-CG 3.5Å; A608-R612 PolarHBondContact O-N 3.3Å |
| 609 | A | 64.6 | Low | 67.5 | Low | 53 Ų | 53 | 105.4 Ų | 105.4 | 44% | 0.438 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66 | -37.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E605 A606 R612 R613 | E605-A609 WeakPolarHBondContact O-CB 3.28Å; E605-A609 PolarHBondContact O-N 3.43Å; A606-A609 WeakPolarHBondContact O-CB 3.43Å; A606-A609 PolarHBondContact O-N 3.09Å; A609-R612 PolarHBondContact O-N 2.86Å; A609-R613 PolarHBondContact O-N 3.38Å |
| 610 | I | 63 | Low | 66.5 | Low | 116 Ų | 116 | 106 Ų | 106 | 60% | 0.595 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64 | -44.1 | 172.5 | -69.4 | 163.7 | 0 | 0 | 0 | 110.4 | A606 A607 R612 R613 S614 | A606-I610 VanDerWaalsContact O-CG1 3.29Å; A606-I610 WeakPolarHBondContact O-CG1 3.23Å; A606-I610 PolarHBondContact O-N 3.4Å; A607-I610 PolarHBondContact O-N 2.82Å; I610-R612 VanDerWaalsContact C-N 3.34Å; I610-R612 PolarHBondContact O-N 3.49Å; I610-R613 WeakPolarHBondContact O-CB 3.1Å; I610-R613 PolarHBondContact O-N 3.49Å; I610-R613 VanDerWaalsContact O-N 3.17Å; I610-S614 PolarHBondContact O-N 2.74Å |
| 611 | K | 60.4 | Low | 65.6 | Low | 152 Ų | 152 | 101.8 Ų | 101.8 | 66% | 0.661 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.4 | -36.5 | 172.9 | -74.3 | 176.3 | 179.6 | 176.9 | 0 | 112.9 | A607 A608 S614 V615 | A607-K611 WeakPolarHBondContact O-CG 3.47Å; A607-K611 PolarHBondContact O-N 2.89Å; A608-K611 PolarHBondContact O-N 3.17Å; K611-S614 WeakPolarHBondContact CA-OG 3.34Å; K611-S614 PolarHBondContact O-N 2.91Å; K611-S614 PolarHBondContact O-OG 3.38Å; K611-V615 WeakPolarHBondContact O-CG2 3.44Å; K611-V615 PolarHBondContact O-N 3.49Å |
| 612 | R | 61.1 | Low | 65 | Low | 196 Ų | 196 | 101.7 Ų | 101.7 | 74% | 0.74 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.1 | -39 | 172.3 | -72.9 | 177.8 | -178.4 | -178.9 | 2.2 | 111.9 | A608 A609 I610 V615 F616 | A608-R612 WeakPolarHBondContact O-CG 3.5Å; A608-R612 PolarHBondContact O-N 3.3Å; A609-R612 PolarHBondContact O-N 2.86Å; I610-R612 VanDerWaalsContact C-N 3.34Å; I610-R612 PolarHBondContact O-N 3.49Å; R612-V615 PolarHBondContact O-N 2.9Å; R612-F616 PolarHBondContact O-N 3.43Å; R612-F616 VanDerWaalsContact O-N 3.08Å |
| 613 | R | 57.5 | Low | 64.5 | Low | 206 Ų | 206 | 102.4 Ų | 102.4 | 78% | 0.777 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.9 | -36.1 | 173.1 | -89.8 | -177.8 | 170.4 | 172 | -1.7 | 113.1 | A609 I610 F616 S617 | A609-R613 PolarHBondContact O-N 3.38Å; I610-R613 WeakPolarHBondContact O-CB 3.1Å; I610-R613 PolarHBondContact O-N 3.49Å; I610-R613 VanDerWaalsContact O-N 3.17Å; R613-F616 PolarHBondContact O-N 2.9Å; R613-S617 WeakPolarHBondContact O-CB 3.42Å; R613-S617 PolarHBondContact O-N 3.2Å |
| 614 | S | 56.8 | Low | 63.9 | Low | 62 Ų | 62 | 102.8 Ų | 102.8 | 43% | 0.434 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.7 | -40.5 | 175.8 | 61.5 | 0 | 0 | 0 | 0 | 112.1 | I610 K611 S617 E618 | I610-S614 PolarHBondContact O-N 2.74Å; K611-S614 WeakPolarHBondContact CA-OG 3.34Å; K611-S614 PolarHBondContact O-N 2.91Å; K611-S614 PolarHBondContact O-OG 3.38Å; S614-S617 WeakPolarHBondContact O-CB 3.48Å; S614-S617 PolarHBondContact O-N 3.02Å; S614-E618 PolarHBondContact O-N 2.89Å |
| 615 | V | 59.9 | Low | 63.8 | Low | 75 Ų | 75 | 105.2 Ų | 105.2 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 174 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | K611 R612 S617 E618 E619 | K611-V615 WeakPolarHBondContact O-CG2 3.44Å; K611-V615 PolarHBondContact O-N 3.49Å; R612-V615 PolarHBondContact O-N 2.9Å; V615-S617 VanDerWaalsContact C-N 3.26Å; V615-S617 PolarHBondContact O-N 3.43Å; V615-E618 PolarHBondContact O-N 2.99Å; V615-E618 VanDerWaalsContact O-N 3.16Å; V615-E619 PolarHBondContact O-N 3.45Å |
| 616 | F | 57.8 | Low | 63.7 | Low | 134 Ų | 134 | 108.7 Ų | 108.7 | 59% | 0.588 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.8 | -33.3 | 174.8 | -117.7 | -92.5 | 0 | 0 | 0 | 113.1 | R612 R613 Q620 | R612-F616 PolarHBondContact O-N 3.43Å; R612-F616 VanDerWaalsContact O-N 3.08Å; R613-F616 PolarHBondContact O-N 2.9Å; F616-Q620 WeakPolarHBondContact O-CG 3.44Å; F616-Q620 PolarHBondContact O-N 2.92Å |
| 617 | S | 58.9 | Low | 63.6 | Low | 78 Ų | 78 | 111.5 Ų | 111.5 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.8 | -40.5 | 175.1 | -171.5 | 0 | 0 | 0 | 0 | 112.1 | R613 S614 V615 Q620 A621 | R613-S617 WeakPolarHBondContact O-CB 3.42Å; R613-S617 PolarHBondContact O-N 3.2Å; S614-S617 WeakPolarHBondContact O-CB 3.48Å; S614-S617 PolarHBondContact O-N 3.02Å; V615-S617 VanDerWaalsContact C-N 3.26Å; V615-S617 PolarHBondContact O-N 3.43Å; S617-Q620 PolarHBondContact O-N 2.93Å; S617-A621 WeakPolarHBondContact O-CB 3.44Å; S617-A621 PolarHBondContact O-N 3.16Å |
| 618 | E | 60.7 | Low | 63.7 | Low | 130 Ų | 130 | 116.7 Ų | 116.7 | 61% | 0.607 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.2 | -40.3 | 175 | -70.6 | -171.1 | 133.5 | 0 | 0 | 112.2 | S614 V615 A621 Q622 | S614-E618 PolarHBondContact O-N 2.89Å; V615-E618 PolarHBondContact O-N 2.99Å; V615-E618 VanDerWaalsContact O-N 3.16Å; E618-A621 WeakPolarHBondContact O-CB 3.4Å; E618-A621 PolarHBondContact O-N 3.36Å; E618-Q622 WeakPolarHBondContact O-CG 3.36Å; E618-Q622 PolarHBondContact O-N 3.04Å |
| 619 | E | 62 | Low | 64.1 | Low | 99 Ų | 99 | 118.1 Ų | 118.1 | 46% | 0.463 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.1 | -43.7 | 173.8 | -71.4 | -178.3 | 166.9 | 0 | 0 | 111.9 | V615 A621 Q622 L623 | V615-E619 PolarHBondContact O-N 3.45Å; E619-A621 VanDerWaalsContact C-N 3.29Å; E619-A621 PolarHBondContact O-N 2.99Å; E619-Q622 PolarHBondContact O-N 2.93Å; E619-L623 WeakPolarHBondContact O-CB 3.32Å; E619-L623 PolarHBondContact O-N 3.32Å |
| 620 | Q | 57.7 | Low | 64.4 | Low | 104 Ų | 104 | 121.2 Ų | 121.2 | 49% | 0.486 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.8 | -35.8 | 171.9 | -77.3 | -166.7 | 11.4 | 0 | 0 | 112.6 | F616 S617 K624 | F616-Q620 WeakPolarHBondContact O-CG 3.44Å; F616-Q620 PolarHBondContact O-N 2.92Å; S617-Q620 PolarHBondContact O-N 2.93Å; Q620-K624 WeakPolarHBondContact O-CB 3.3Å; Q620-K624 VanDerWaalsContact O-CG 3.32Å; Q620-K624 WeakPolarHBondContact O-CG 3.41Å; Q620-K624 PolarHBondContact O-N 3.38Å |
| 621 | A | 63.4 | Low | 64.6 | Low | 36 Ų | 36 | 120.8 Ų | 120.8 | 30% | 0.298 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.9 | -39 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | S617 E618 E619 K624 R625 | S617-A621 WeakPolarHBondContact O-CB 3.44Å; S617-A621 PolarHBondContact O-N 3.16Å; E618-A621 WeakPolarHBondContact O-CB 3.4Å; E618-A621 PolarHBondContact O-N 3.36Å; E619-A621 VanDerWaalsContact C-N 3.29Å; E619-A621 PolarHBondContact O-N 2.99Å; A621-K624 PolarHBondContact O-N 3.35Å; A621-R625 WeakPolarHBondContact O-CG 3.37Å; A621-R625 PolarHBondContact O-N 3.39Å |
| 622 | Q | 67.4 | Low | 65.1 | Low | 106 Ų | 106 | 120.2 Ų | 120.2 | 50% | 0.495 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.9 | -41.4 | 174.5 | -69.4 | -176.6 | 25 | 0 | 0 | 112.2 | E618 E619 R625 R626 | E618-Q622 WeakPolarHBondContact O-CG 3.36Å; E618-Q622 PolarHBondContact O-N 3.04Å; E619-Q622 PolarHBondContact O-N 2.93Å; Q622-R625 PolarHBondContact O-N 2.94Å; Q622-R626 PolarHBondContact O-N 3.34Å |
| 623 | L | 65.9 | Low | 65.6 | Low | 113 Ų | 113 | 117.5 Ų | 117.5 | 59% | 0.592 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61 | -43.8 | 173 | -79.5 | 162.7 | 0 | 0 | 0 | 111.7 | E619 R625 R626 L627 | E619-L623 WeakPolarHBondContact O-CB 3.32Å; E619-L623 PolarHBondContact O-N 3.32Å; L623-R625 VanDerWaalsContact C-N 3.31Å; L623-R625 PolarHBondContact O-N 3.3Å; L623-R626 PolarHBondContact O-N 3.44Å; L623-L627 WeakPolarHBondContact O-CB 3.49Å; L623-L627 PolarHBondContact O-N 3.34Å |
| 624 | K | 66.1 | Low | 66 | Low | 134 Ų | 134 | 112.6 Ų | 112.6 | 58% | 0.583 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.4 | -33.7 | 174.3 | -77.7 | 171.4 | 178.4 | 169.8 | 0 | 113 | Q620 A621 K628 | Q620-K624 WeakPolarHBondContact O-CB 3.3Å; Q620-K624 VanDerWaalsContact O-CG 3.32Å; Q620-K624 WeakPolarHBondContact O-CG 3.41Å; Q620-K624 PolarHBondContact O-N 3.38Å; A621-K624 PolarHBondContact O-N 3.35Å; K624-K628 WeakPolarHBondContact O-CG 3.36Å; K624-K628 PolarHBondContact O-N 2.95Å |
| 625 | R | 74.1 | Confident | 66.3 | Low | 178 Ų | 178 | 114 Ų | 114 | 67% | 0.672 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.4 | -46.1 | 172.4 | -69.5 | 172.4 | -161.1 | 171.2 | 6.9 | 111.5 | A621 Q622 L623 L627 K628 E629 | A621-R625 WeakPolarHBondContact O-CG 3.37Å; A621-R625 PolarHBondContact O-N 3.39Å; Q622-R625 PolarHBondContact O-N 2.94Å; L623-R625 VanDerWaalsContact C-N 3.31Å; L623-R625 PolarHBondContact O-N 3.3Å; R625-L627 VanDerWaalsContact C-N 3.33Å; R625-L627 PolarHBondContact O-N 3.37Å; R625-K628 PolarHBondContact O-N 3.04Å; R625-E629 WeakPolarHBondContact O-CB 3.44Å; R625-E629 PolarHBondContact O-N 2.95Å |
| 626 | R | 71.3 | Confident | 66.3 | Low | 175 Ų | 175 | 114.4 Ų | 114.4 | 66% | 0.66 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62 | -37.6 | 176.3 | -73.3 | -177.6 | 176.2 | 178.2 | 0.7 | 112.7 | Q622 L623 E629 L630 | Q622-R626 PolarHBondContact O-N 3.34Å; L623-R626 PolarHBondContact O-N 3.44Å; R626-E629 PolarHBondContact O-N 3.41Å; R626-L630 WeakPolarHBondContact O-CB 3.43Å; R626-L630 PolarHBondContact O-N 3.47Å |
| 627 | L | 68.3 | Low | 66.3 | Low | 105 Ų | 105 | 115.5 Ų | 115.5 | 55% | 0.55 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 175.6 | -165.4 | 78.6 | 0 | 0 | 0 | 111.9 | L623 R625 L630 Q631 | L623-L627 WeakPolarHBondContact O-CB 3.49Å; L623-L627 PolarHBondContact O-N 3.34Å; R625-L627 VanDerWaalsContact C-N 3.33Å; R625-L627 PolarHBondContact O-N 3.37Å; L627-L630 PolarHBondContact O-N 2.97Å; L627-Q631 WeakPolarHBondContact O-CG 3.47Å; L627-Q631 PolarHBondContact O-N 3.36Å |
| 628 | K | 73.8 | Confident | 66.1 | Low | 153 Ų | 153 | 119.3 Ų | 119.3 | 67% | 0.665 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.3 | -38.4 | 175.8 | -76 | -175.2 | 174 | -170 | 0 | 112.7 | K624 R625 Q631 R632 | K624-K628 WeakPolarHBondContact O-CG 3.36Å; K624-K628 PolarHBondContact O-N 2.95Å; R625-K628 PolarHBondContact O-N 3.04Å; K628-Q631 PolarHBondContact O-N 2.99Å; K628-R632 WeakPolarHBondContact O-CB 3.38Å; K628-R632 PolarHBondContact O-N 3.25Å |
| 629 | E | 75.6 | Confident | 65.7 | Low | 76 Ų | 76 | 117.9 Ų | 117.9 | 36% | 0.355 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 174.4 | -175.3 | 69.7 | -165.7 | 0 | 0 | 111.5 | R625 R626 R632 R633 | R625-E629 WeakPolarHBondContact O-CB 3.44Å; R625-E629 PolarHBondContact O-N 2.95Å; R626-E629 PolarHBondContact O-N 3.41Å; E629-R632 PolarHBondContact O-N 2.87Å; E629-R633 WeakPolarHBondContact O-CG 3.47Å; E629-R633 PolarHBondContact O-N 2.85Å; E629-R633 IonicContact OE1-CZ 3.87Å; E629-R633 IonicContact OE1-NE 3.72Å; E629-R633 PolarHBondContact OE1-NE 3.09Å; E629-R633 VanDerWaalsContact OE1-NE 3.17Å; E629-R633 IonicContact OE1-NH2 3.73Å; E629-R633 PolarHBondContact OE1-NH2 2.94Å |
| 630 | L | 70.7 | Confident | 65.5 | Low | 117 Ų | 117 | 120.4 Ų | 120.4 | 61% | 0.613 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.5 | -41.3 | 173.5 | -88 | 160.9 | 0 | 0 | 0 | 112.7 | R626 L627 R633 H634 | R626-L630 WeakPolarHBondContact O-CB 3.43Å; R626-L630 PolarHBondContact O-N 3.47Å; L627-L630 PolarHBondContact O-N 2.97Å; L630-R633 PolarHBondContact O-N 3.38Å; L630-H634 WeakPolarHBondContact O-CB 3.42Å; L630-H634 PolarHBondContact O-N 3.33Å |
| 631 | Q | 67.3 | Low | 65 | Low | 107 Ų | 107 | 122.1 Ų | 122.1 | 50% | 0.5 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.6 | -45.2 | 173.2 | -75 | 175.6 | -45.6 | 0 | 0 | 111.1 | L627 K628 R633 H634 D635 | L627-Q631 WeakPolarHBondContact O-CG 3.47Å; L627-Q631 PolarHBondContact O-N 3.36Å; K628-Q631 PolarHBondContact O-N 2.99Å; Q631-R633 VanDerWaalsContact C-N 3.33Å; Q631-R633 PolarHBondContact O-N 2.75Å; Q631-H634 WeakPolarHBondContact O-CB 3.48Å; Q631-H634 PolarHBondContact O-N 2.71Å; Q631-H634 VanDerWaalsContact O-N 3.11Å; Q631-D635 PolarHBondContact O-N 2.97Å |
| 632 | R | 71.2 | Confident | 64.1 | Low | 141 Ų | 141 | 128 Ų | 128 | 53% | 0.532 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -57.9 | -44.2 | 176.2 | -151.2 | -168.1 | 98 | -172.2 | 9.6 | 112 | K628 E629 D635 E636 | K628-R632 WeakPolarHBondContact O-CB 3.38Å; K628-R632 PolarHBondContact O-N 3.25Å; E629-R632 PolarHBondContact O-N 2.87Å; R632-D635 PolarHBondContact O-N 2.87Å; R632-E636 IonicContact CZ-OE1 3.36Å; R632-E636 IonicContact NE-OE1 2.8Å; R632-E636 PolarHBondContact NE-OE1 3.42Å; R632-E636 IonicContact NH2-OE1 2.68Å; R632-E636 PolarHBondContact NH2-OE1 3.01Å; R632-E636 IonicContact NH2-OE2 3.9Å; R632-E636 WeakPolarHBondContact O-CB 3.36Å; R632-E636 WeakPolarHBondContact O-CG 3.27Å; R632-E636 PolarHBondContact O-N 3.04Å |
| 633 | R | 71.9 | Confident | 62.5 | Low | 139 Ų | 139 | 129.5 Ų | 129.5 | 53% | 0.525 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.8 | -31.8 | 176.6 | -69.8 | 175.3 | -166.4 | -164 | 2.4 | 113.2 | E629 L630 Q631 F637 | E629-R633 WeakPolarHBondContact O-CG 3.47Å; E629-R633 PolarHBondContact O-N 2.85Å; E629-R633 IonicContact OE1-CZ 3.87Å; E629-R633 IonicContact OE1-NE 3.72Å; E629-R633 PolarHBondContact OE1-NE 3.09Å; E629-R633 VanDerWaalsContact OE1-NE 3.17Å; E629-R633 IonicContact OE1-NH2 3.73Å; E629-R633 PolarHBondContact OE1-NH2 2.94Å; L630-R633 PolarHBondContact O-N 3.38Å; Q631-R633 VanDerWaalsContact C-N 3.33Å; Q631-R633 PolarHBondContact O-N 2.75Å; R633-F637 WeakPolarHBondContact O-CB 3.32Å; R633-F637 PolarHBondContact O-N 2.64Å |
| 634 | H | 66.3 | Low | 61.1 | Low | 102 Ų | 102 | 127.1 Ų | 127.1 | 47% | 0.472 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -71.8 | -36.6 | 175.2 | -166.8 | 69.3 | 0 | 0 | 0 | 111.9 | L630 Q631 F637 R638 | L630-H634 WeakPolarHBondContact O-CB 3.42Å; L630-H634 PolarHBondContact O-N 3.33Å; Q631-H634 WeakPolarHBondContact O-CB 3.48Å; Q631-H634 PolarHBondContact O-N 2.71Å; Q631-H634 VanDerWaalsContact O-N 3.11Å; H634-F637 PolarHBondContact O-N 3.35Å; H634-R638 PolarHBondContact CD2-NH1 2.86Å; H634-R638 VanDerWaalsContact NE2-CZ 3.33Å; H634-R638 PolarHBondContact NE2-NH2 3.11Å; H634-R638 WeakPolarHBondContact O-CG 3.37Å; H634-R638 PolarHBondContact O-N 3.09Å |
| 635 | D | 61.2 | Low | 59.6 | Low | 92 Ų | 92 | 130.4 Ų | 130.4 | 49% | 0.492 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -74.9 | -35.8 | 174.3 | -64.7 | -29.5 | 0 | 0 | 0 | 111.5 | Q631 R632 R638 S639 | Q631-D635 PolarHBondContact O-N 2.97Å; R632-D635 PolarHBondContact O-N 2.87Å; D635-R638 PolarHBondContact O-N 3.26Å; D635-R638 IonicContact OD1-NH1 3.22Å; D635-S639 WeakPolarHBondContact O-CB 3.37Å; D635-S639 PolarHBondContact O-N 3.33Å |
| 636 | E | 61.8 | Low | 57.6 | Low | 84 Ų | 84 | 125.5 Ų | 125.5 | 39% | 0.393 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -62.6 | -38.3 | 168.1 | -74.8 | 165.8 | 178.1 | 0 | 0 | 112 | R632 S639 | R632-E636 IonicContact CZ-OE1 3.36Å; R632-E636 IonicContact NE-OE1 2.8Å; R632-E636 PolarHBondContact NE-OE1 3.42Å; R632-E636 IonicContact NH2-OE1 2.68Å; R632-E636 PolarHBondContact NH2-OE1 3.01Å; R632-E636 IonicContact NH2-OE2 3.9Å; R632-E636 WeakPolarHBondContact O-CB 3.36Å; R632-E636 WeakPolarHBondContact O-CG 3.27Å; R632-E636 PolarHBondContact O-N 3.04Å; E636-S639 WeakPolarHBondContact O-CB 3.35Å; E636-S639 PolarHBondContact O-N 3.45Å |
| 637 | F | 56.7 | Low | 56.2 | Low | 157 Ų | 157 | 123 Ų | 123 | 69% | 0.689 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68.7 | -38.5 | 172.7 | -109.9 | -90.5 | 0 | 0 | 0 | 112.8 | R633 H634 S639 L640 | R633-F637 WeakPolarHBondContact O-CB 3.32Å; R633-F637 PolarHBondContact O-N 2.64Å; H634-F637 PolarHBondContact O-N 3.35Å; F637-S639 VanDerWaalsContact C-N 3.29Å; F637-S639 PolarHBondContact O-N 3.29Å; F637-L640 PolarHBondContact O-N 2.69Å |
| 638 | R | 54.4 | Low | 54.5 | Low | 158 Ų | 158 | 122.9 Ų | 122.9 | 60% | 0.596 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -65 | -34 | 173.5 | -78.8 | 170.6 | 164.2 | 166.1 | -5 | 112.2 | H634 D635 L640 | H634-R638 PolarHBondContact CD2-NH1 2.86Å; H634-R638 VanDerWaalsContact NE2-CZ 3.33Å; H634-R638 PolarHBondContact NE2-NH2 3.11Å; H634-R638 WeakPolarHBondContact O-CG 3.37Å; H634-R638 PolarHBondContact O-N 3.09Å; D635-R638 PolarHBondContact O-N 3.26Å; D635-R638 IonicContact OD1-NH1 3.22Å; R638-L640 PolarHBondContact O-N 3.43Å |
| 639 | S | 52.4 | Low | 52.4 | Low | 99 Ų | 99 | 122.9 Ų | 122.9 | 69% | 0.692 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -15.8 | 177.2 | -172.2 | 0 | 0 | 0 | 0 | 114.5 | D635 E636 F637 | D635-S639 WeakPolarHBondContact O-CB 3.37Å; D635-S639 PolarHBondContact O-N 3.33Å; E636-S639 WeakPolarHBondContact O-CB 3.35Å; E636-S639 PolarHBondContact O-N 3.45Å; F637-S639 VanDerWaalsContact C-N 3.29Å; F637-S639 PolarHBondContact O-N 3.29Å |
| 640 | L | 57.3 | Low | 50.2 | Low | 152 Ų | 152 | 126.7 Ų | 126.7 | 80% | 0.796 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | -4.9 | -175.3 | -83.8 | 168.1 | 0 | 0 | 0 | 115 | F637 R638 | F637-L640 PolarHBondContact O-N 2.69Å; R638-L640 PolarHBondContact O-N 3.43Å |
| 641 | L | 48.3 | Very low | 48 | Very low | 141 Ų | 141 | 126.9 Ų | 126.9 | 74% | 0.738 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.4 | -15.2 | -174.5 | -86.6 | 165.2 | 0 | 0 | 0 | 115.9 | ||
| 642 | L | 44.3 | Very low | 46.1 | Very low | 160 Ų | 160 | 126.5 Ų | 126.5 | 84% | 0.838 | 70% | 0.702 | S | S | * | * | trans | -139.2 | 91.2 | -177.5 | -71.1 | 173.5 | 0 | 0 | 0 | 113 | ||||
| 643 | S | 34.6 | Very low | 44.1 | Very low | 136 Ų | 136 | 130 Ų | 130 | 95% | 0.951 | 72% | 0.715 | S | S | * | * | trans | -80.3 | 109.5 | 161.3 | 155.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 644 | G | 35 | Very low | 42.1 | Very low | 64 Ų | 64 | 130.5 Ų | 130.5 | 66% | 0.66 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 130.9 | 110.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 645 | Q | 35 | Very low | 40.3 | Very low | 203 Ų | 203 | 130.1 Ų | 130.1 | 95% | 0.949 | 74% | 0.736 | S | S | * | * | trans | 57.8 | 117.3 | 153.5 | -61.2 | 177.2 | -7.9 | 0 | 0 | 118.8 | ||||
| 646 | G | 32.8 | Very low | 38.8 | Very low | 75 Ų | 75 | 134 Ų | 134 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | -96.1 | -161.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 647 | P | 41.7 | Very low | 37.2 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | cis | -126 | 148.4 | -3.7 | 37.7 | -22.5 | 0 | 0 | 0 | 115.4 | ||||
| 648 | A | 32.4 | Very low | 36 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | 39.7 | 107.5 | 147.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 649 | L | 30 | Very low | 34.8 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | trans | -113.8 | 148.3 | 145.3 | -108.8 | 88.2 | 0 | 0 | 0 | 109.5 | ||||
| 650 | M | 29 | Very low | 33.7 | Very low | 156 Ų | 156 | 131 Ų | 131 | 77% | 0.768 | 78% | 0.783 | S | S | * | * | trans | 34.9 | 143.7 | 132.4 | -50.7 | -53 | 169.6 | 0 | 0 | 119.2 | ||||
| 651 | T | 25.3 | Very low | 32.5 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | cis | -172.2 | 145.6 | 18 | 2.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 652 | S | 27 | Very low | 32 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | 41.5 | 134.3 | 125 | -131.6 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 653 | R | 28.1 | Very low | 31.5 | Very low | 215 Ų | 215 | 131.5 Ų | 131.5 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | 86.7 | 124.2 | 141.9 | -79.8 | 176.4 | -178.7 | -168 | 0.2 | 123.1 | ||||
| 654 | L | 31.6 | Very low | 32 | Very low | 150 Ų | 150 | 129.3 Ų | 129.3 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | 69.1 | 150 | 134 | -60.8 | 170.7 | 0 | 0 | 0 | 117.9 | ||||
| 655 | S | 28.5 | Very low | 32.5 | Very low | 94 Ų | 94 | 132.9 Ų | 132.9 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | cis | -174.5 | 169.6 | -8.5 | 44.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 656 | L | 29.7 | Very low | 33.2 | Very low | 174 Ų | 174 | 130.1 Ų | 130.1 | 91% | 0.911 | 77% | 0.769 | S | S | * | * | trans | 86.7 | 143.3 | 145.9 | -136.1 | 74 | 0 | 0 | 0 | 121.1 | ||||
| 657 | G | 27 | Very low | 34.1 | Very low | 66 Ų | 66 | 134.7 Ų | 134.7 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | trans | 136.1 | 92 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 658 | V | 30.7 | Very low | 34.7 | Very low | 119 Ų | 119 | 131 Ų | 131 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | 69.7 | 124.2 | 66 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 659 | E | 29.5 | Very low | 35.8 | Very low | 180 Ų | 180 | 133 Ų | 133 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | cis | -160.1 | 157.8 | 16.2 | -141.2 | 158.4 | -134.9 | 0 | 0 | 113.5 | ||||
| 660 | G | 29.7 | Very low | 36.9 | Very low | 68 Ų | 68 | 133 Ų | 133 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | trans | 57.2 | 120.9 | 139.3 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 661 | R | 33 | Very low | 38.7 | Very low | 230 Ų | 230 | 128.4 Ų | 128.4 | 87% | 0.868 | 72% | 0.724 | S | S | * | * | 179.8 | 137.1 | 107.5 | -98.8 | -176.2 | 168.2 | -155.9 | -3 | 115 | |||||
| 662 | L | 36.1 | Very low | 40.7 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | trans | 54.4 | 102.8 | 138.7 | -57.1 | 171 | 0 | 0 | 0 | 121 | ||||
| 663 | A | 34.3 | Very low | 42.7 | Very low | 95 Ų | 95 | 128.2 Ų | 128.2 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | 53.9 | 138 | 109.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 664 | A | 45.5 | Very low | 44.8 | Very low | 90 Ų | 90 | 123.5 Ų | 123.5 | 74% | 0.744 | 70% | 0.696 | S | S | * | * | trans | 84.2 | 154 | 157.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 665 | D | 44.7 | Very low | 46.9 | Very low | 138 Ų | 138 | 125.1 Ų | 125.1 | 74% | 0.738 | 69% | 0.692 | S | S | * | * | trans | 73.9 | 45.5 | 165.9 | -56.8 | -11.4 | 0 | 0 | 0 | 120.1 | ||||
| 666 | L | 50.7 | Low | 49.1 | Very low | 146 Ų | 146 | 129 Ų | 129 | 76% | 0.764 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -128 | -15.9 | 160.1 | -75.6 | 175.5 | 0 | 0 | 0 | 116.3 | ||
| 667 | E | 50.7 | Low | 51.3 | Low | 171 Ų | 171 | 126 Ų | 126 | 80% | 0.799 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -85.7 | -22.7 | 171.9 | -68.2 | -178.8 | 151.2 | 0 | 0 | 112.7 | S671 | E667-S671 WeakPolarHBondContact O-CB 3.48Å; E667-S671 PolarHBondContact O-N 2.92Å; E667-S671 PolarHBondContact O-OG 3.1Å |
| 668 | G | 55.3 | Low | 53.7 | Low | 46 Ų | 46 | 127.3 Ų | 127.3 | 47% | 0.474 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -65.2 | -47.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | S671 L672 | G668-S671 PolarHBondContact O-N 3.26Å; G668-L672 VanDerWaalsContact O-CB 3.26Å; G668-L672 WeakPolarHBondContact O-CB 3.47Å; G668-L672 PolarHBondContact O-N 2.89Å |
| 669 | E | 54.6 | Low | 56 | Low | 142 Ų | 142 | 124.8 Ų | 124.8 | 66% | 0.664 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67 | -39.4 | -177.8 | -62.8 | -161.3 | 146.6 | 0 | 0 | 112.5 | L672 L673 | E669-L672 PolarHBondContact O-N 2.97Å; E669-L673 WeakPolarHBondContact O-CB 3.36Å; E669-L673 PolarHBondContact O-N 3.35Å |
| 670 | F | 55 | Low | 58.4 | Low | 154 Ų | 154 | 120.9 Ų | 120.9 | 68% | 0.675 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.9 | -43.8 | 176.8 | -128.8 | -88.7 | 0 | 0 | 0 | 111.6 | L672 L673 Q674 | F670-L672 VanDerWaalsContact C-N 3.28Å; F670-L672 PolarHBondContact O-N 3.38Å; F670-L673 PolarHBondContact O-N 2.89Å; F670-Q674 WeakPolarHBondContact O-CB 3.47Å; F670-Q674 PolarHBondContact O-N 3.3Å |
| 671 | S | 65.4 | Low | 60.8 | Low | 59 Ų | 59 | 123.4 Ų | 123.4 | 41% | 0.413 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -62.6 | -34.5 | 174.9 | -56.4 | 0 | 0 | 0 | 0 | 112.7 | E667 G668 R675 | E667-S671 WeakPolarHBondContact O-CB 3.48Å; E667-S671 PolarHBondContact O-N 2.92Å; E667-S671 PolarHBondContact O-OG 3.1Å; G668-S671 PolarHBondContact O-N 3.26Å; S671-R675 PolarHBondContact O-N 3.32Å; S671-R675 VanDerWaalsContact O-N 3.07Å |
| 672 | L | 68 | Low | 63.1 | Low | 110 Ų | 110 | 116.7 Ų | 116.7 | 58% | 0.576 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -78.9 | -32.2 | 179.1 | -151.2 | 148.6 | 0 | 0 | 0 | 111.5 | G668 E669 F670 R676 | G668-L672 VanDerWaalsContact O-CB 3.26Å; G668-L672 WeakPolarHBondContact O-CB 3.47Å; G668-L672 PolarHBondContact O-N 2.89Å; E669-L672 PolarHBondContact O-N 2.97Å; F670-L672 VanDerWaalsContact C-N 3.28Å; F670-L672 PolarHBondContact O-N 3.38Å; L672-R676 WeakPolarHBondContact O-CB 3.4Å; L672-R676 PolarHBondContact O-N 2.95Å; L672-R676 VanDerWaalsContact O-N 3.17Å |
| 673 | L | 69.2 | Low | 65 | Low | 106 Ų | 106 | 112 Ų | 112 | 56% | 0.555 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.8 | -43.2 | 169.6 | -144.2 | 83 | 0 | 0 | 0 | 111.1 | E669 F670 R676 L677 | E669-L673 WeakPolarHBondContact O-CB 3.36Å; E669-L673 PolarHBondContact O-N 3.35Å; F670-L673 PolarHBondContact O-N 2.89Å; L673-R676 CarbonylContact O-C 3.53Å; L673-R676 PolarHBondContact O-N 2.93Å; L673-L677 PolarHBondContact O-N 3.2Å |
| 674 | Q | 72.6 | Confident | 66.8 | Low | 115 Ų | 115 | 112.8 Ų | 112.8 | 54% | 0.537 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.6 | -48.1 | -178.8 | -160 | 164.9 | 12.5 | 0 | 0 | 111.5 | F670 R676 L677 E678 | F670-Q674 WeakPolarHBondContact O-CB 3.47Å; F670-Q674 PolarHBondContact O-N 3.3Å; Q674-R676 PolarHBondContact O-N 3.03Å; Q674-L677 PolarHBondContact O-N 3.43Å; Q674-E678 WeakPolarHBondContact O-CG 3.34Å; Q674-E678 PolarHBondContact O-N 3.01Å |
| 675 | R | 74 | Confident | 68.1 | Low | 185 Ų | 185 | 113.6 Ų | 113.6 | 70% | 0.698 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59.9 | -30.4 | 171.1 | -77.4 | -175.4 | -172.9 | 146.5 | 7.1 | 113.9 | S671 S679 | S671-R675 PolarHBondContact O-N 3.32Å; S671-R675 VanDerWaalsContact O-N 3.07Å; R675-S679 VanDerWaalsContact O-CB 3.3Å; R675-S679 WeakPolarHBondContact O-CB 3.36Å; R675-S679 PolarHBondContact O-N 3.33Å; R675-S679 PolarHBondContact O-OG 2.94Å |
| 676 | R | 75.2 | Confident | 69.4 | Low | 175 Ų | 175 | 112.8 Ų | 112.8 | 66% | 0.66 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -82.7 | -24.5 | -178.3 | -164.6 | 172.6 | -170.9 | 179 | 2.3 | 112.3 | L672 L673 Q674 S679 L680 | L672-R676 WeakPolarHBondContact O-CB 3.4Å; L672-R676 PolarHBondContact O-N 2.95Å; L672-R676 VanDerWaalsContact O-N 3.17Å; L673-R676 CarbonylContact O-C 3.53Å; L673-R676 PolarHBondContact O-N 2.93Å; Q674-R676 PolarHBondContact O-N 3.03Å; R676-S679 WeakPolarHBondContact CA-OG 3.25Å; R676-S679 PolarHBondContact O-OG 3.07Å; R676-L680 WeakPolarHBondContact O-CB 3.41Å; R676-L680 PolarHBondContact O-N 3.42Å |
| 677 | L | 76.1 | Confident | 70.2 | Confident | 110 Ų | 110 | 111.6 Ų | 111.6 | 58% | 0.576 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -72.7 | -51.2 | 164.4 | -95 | 151.3 | 0 | 0 | 0 | 110.6 | L673 Q674 S679 L680 E681 | L673-L677 PolarHBondContact O-N 3.2Å; Q674-L677 PolarHBondContact O-N 3.43Å; L677-S679 VanDerWaalsContact C-N 3.29Å; L677-S679 PolarHBondContact O-N 3.29Å; L677-L680 WeakPolarHBondContact O-CA 3.25Å; L677-L680 WeakPolarHBondContact O-CB 3.5Å; L677-L680 PolarHBondContact O-N 2.91Å; L677-E681 WeakPolarHBondContact O-CB 3.36Å; L677-E681 PolarHBondContact O-N 2.91Å |
| 678 | E | 78.5 | Confident | 71.2 | Confident | 94 Ų | 94 | 109.3 Ų | 109.3 | 44% | 0.439 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -56.9 | -40 | 175.3 | -71.7 | 168.6 | 175.5 | 0 | 0 | 111.9 | Q674 L680 E681 N682 | Q674-E678 WeakPolarHBondContact O-CG 3.34Å; Q674-E678 PolarHBondContact O-N 3.01Å; E678-L680 VanDerWaalsContact C-N 3.32Å; E678-L680 PolarHBondContact O-N 3.22Å; E678-E681 PolarHBondContact O-N 3.16Å; E678-N682 WeakPolarHBondContact O-CB 3.36Å; E678-N682 PolarHBondContact O-N 3.06Å; E678-N682 PolarHBondContact O-ND2 3.43Å |
| 679 | S | 77.7 | Confident | 71.9 | Confident | 67 Ų | 67 | 113.9 Ų | 113.9 | 47% | 0.469 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.2 | -28.1 | 175.1 | 71.4 | 0 | 0 | 0 | 0 | 113.3 | R675 R676 L677 A683 | R675-S679 VanDerWaalsContact O-CB 3.3Å; R675-S679 WeakPolarHBondContact O-CB 3.36Å; R675-S679 PolarHBondContact O-N 3.33Å; R675-S679 PolarHBondContact O-OG 2.94Å; R676-S679 WeakPolarHBondContact CA-OG 3.25Å; R676-S679 PolarHBondContact O-OG 3.07Å; L677-S679 VanDerWaalsContact C-N 3.29Å; L677-S679 PolarHBondContact O-N 3.29Å; S679-A683 VanDerWaalsContact O-CB 3.22Å; S679-A683 WeakPolarHBondContact O-CB 3.49Å; S679-A683 PolarHBondContact O-N 3.3Å; S679-A683 VanDerWaalsContact O-N 3.1Å |
| 680 | L | 81.2 | Confident | 72.4 | Confident | 98 Ų | 98 | 113.2 Ų | 113.2 | 51% | 0.513 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -75.7 | -39.6 | 176 | -151.7 | 94.7 | 0 | 0 | 0 | 110.8 | R676 L677 E678 A683 Q684 | R676-L680 WeakPolarHBondContact O-CB 3.41Å; R676-L680 PolarHBondContact O-N 3.42Å; L677-L680 WeakPolarHBondContact O-CA 3.25Å; L677-L680 WeakPolarHBondContact O-CB 3.5Å; L677-L680 PolarHBondContact O-N 2.91Å; E678-L680 VanDerWaalsContact C-N 3.32Å; E678-L680 PolarHBondContact O-N 3.22Å; L680-A683 PolarHBondContact O-N 3.06Å; L680-Q684 WeakPolarHBondContact O-CB 3.4Å; L680-Q684 WeakPolarHBondContact O-CG 3.42Å; L680-Q684 PolarHBondContact O-N 3.35Å |
| 681 | E | 80.1 | Confident | 72.8 | Confident | 120 Ų | 120 | 111.5 Ų | 111.5 | 56% | 0.561 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67 | -46.6 | 177.3 | -169.1 | 167.1 | -152.6 | 0 | 0 | 110.9 | L677 E678 A683 Q684 Q685 | L677-E681 WeakPolarHBondContact O-CB 3.36Å; L677-E681 PolarHBondContact O-N 2.91Å; E678-E681 PolarHBondContact O-N 3.16Å; E681-A683 VanDerWaalsContact C-N 3.33Å; E681-A683 PolarHBondContact O-N 3.11Å; E681-Q684 PolarHBondContact O-N 3.14Å; E681-Q685 PolarHBondContact O-N 3.28Å |
| 682 | N | 80.6 | Confident | 72.7 | Confident | 90 Ų | 90 | 110.3 Ų | 110.3 | 48% | 0.481 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60 | -39.7 | 171.2 | -79.7 | -74 | 0 | 0 | 0 | 112.3 | E678 Q685 Q686 | E678-N682 WeakPolarHBondContact O-CB 3.36Å; E678-N682 PolarHBondContact O-N 3.06Å; E678-N682 PolarHBondContact O-ND2 3.43Å; N682-Q685 PolarHBondContact O-N 3.32Å; N682-Q686 WeakPolarHBondContact O-CB 3.38Å; N682-Q686 WeakPolarHBondContact O-CG 3.36Å; N682-Q686 PolarHBondContact O-N 2.96Å |
| 683 | A | 76.2 | Confident | 72.2 | Confident | 42 Ų | 42 | 108 Ų | 108 | 35% | 0.347 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.3 | -34.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S679 L680 E681 Q687 | S679-A683 VanDerWaalsContact O-CB 3.22Å; S679-A683 WeakPolarHBondContact O-CB 3.49Å; S679-A683 PolarHBondContact O-N 3.3Å; S679-A683 VanDerWaalsContact O-N 3.1Å; L680-A683 PolarHBondContact O-N 3.06Å; E681-A683 VanDerWaalsContact C-N 3.33Å; E681-A683 PolarHBondContact O-N 3.11Å; A683-Q687 WeakPolarHBondContact O-CB 3.42Å; A683-Q687 WeakPolarHBondContact O-CG 3.28Å; A683-Q687 PolarHBondContact O-N 2.92Å |
| 684 | Q | 70.9 | Confident | 71.5 | Confident | 111 Ų | 111 | 109 Ų | 109 | 52% | 0.519 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -72.6 | -36 | 174.5 | -76.3 | 179.9 | -15.5 | 0 | 0 | 112.2 | L680 E681 Q687 L688 | L680-Q684 WeakPolarHBondContact O-CB 3.4Å; L680-Q684 WeakPolarHBondContact O-CG 3.42Å; L680-Q684 PolarHBondContact O-N 3.35Å; E681-Q684 PolarHBondContact O-N 3.14Å; Q684-Q687 PolarHBondContact O-N 3.04Å; Q684-L688 WeakPolarHBondContact O-CG 3.49Å; Q684-L688 PolarHBondContact O-N 3.09Å |
| 685 | Q | 74 | Confident | 70.5 | Confident | 106 Ų | 106 | 108.8 Ų | 108.8 | 50% | 0.495 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.8 | -42.5 | 171.5 | -82.1 | 170.2 | -34.1 | 0 | 0 | 111.9 | E681 N682 Q687 L688 E689 | E681-Q685 PolarHBondContact O-N 3.28Å; N682-Q685 PolarHBondContact O-N 3.32Å; Q685-Q687 VanDerWaalsContact C-N 3.34Å; Q685-Q687 PolarHBondContact O-N 3.08Å; Q685-L688 PolarHBondContact O-N 2.71Å; Q685-L688 VanDerWaalsContact O-N 3.11Å; Q685-E689 WeakPolarHBondContact O-CG 3.48Å; Q685-E689 PolarHBondContact O-N 2.9Å |
| 686 | Q | 71.9 | Confident | 69.4 | Low | 121 Ų | 121 | 107.5 Ų | 107.5 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.5 | -40.3 | 173 | -75.1 | 175 | -5.5 | 0 | 0 | 112.2 | N682 L688 E689 E690 | N682-Q686 WeakPolarHBondContact O-CB 3.38Å; N682-Q686 WeakPolarHBondContact O-CG 3.36Å; N682-Q686 PolarHBondContact O-N 2.96Å; Q686-L688 VanDerWaalsContact C-N 3.31Å; Q686-L688 PolarHBondContact O-N 3.38Å; Q686-E689 PolarHBondContact O-N 2.94Å; Q686-E690 WeakPolarHBondContact O-CB 3.42Å; Q686-E690 WeakPolarHBondContact O-CG 3.48Å; Q686-E690 PolarHBondContact O-N 3.14Å |
| 687 | Q | 67.9 | Low | 68 | Low | 122 Ų | 122 | 108.1 Ų | 108.1 | 57% | 0.57 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.6 | -29.7 | 173.9 | -75.8 | -177.3 | -20.6 | 0 | 0 | 113.3 | A683 Q684 Q685 L691 | A683-Q687 WeakPolarHBondContact O-CB 3.42Å; A683-Q687 WeakPolarHBondContact O-CG 3.28Å; A683-Q687 PolarHBondContact O-N 2.92Å; Q684-Q687 PolarHBondContact O-N 3.04Å; Q685-Q687 VanDerWaalsContact C-N 3.34Å; Q685-Q687 PolarHBondContact O-N 3.08Å; Q687-L691 WeakPolarHBondContact O-CB 3.45Å; Q687-L691 WeakPolarHBondContact O-CD1 3.43Å; Q687-L691 VanDerWaalsContact O-CG 3.25Å; Q687-L691 WeakPolarHBondContact O-CG 3.32Å; Q687-L691 PolarHBondContact O-N 3.17Å; Q687-L691 VanDerWaalsContact O-N 3.17Å |
| 688 | L | 70.6 | Confident | 66.6 | Low | 123 Ų | 123 | 111.7 Ų | 111.7 | 64% | 0.644 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -75.4 | -36 | 172.9 | -77.1 | 167.4 | 0 | 0 | 0 | 112.4 | Q684 Q685 Q686 L691 G692 | Q684-L688 WeakPolarHBondContact O-CG 3.49Å; Q684-L688 PolarHBondContact O-N 3.09Å; Q685-L688 PolarHBondContact O-N 2.71Å; Q685-L688 VanDerWaalsContact O-N 3.11Å; Q686-L688 VanDerWaalsContact C-N 3.31Å; Q686-L688 PolarHBondContact O-N 3.38Å; L688-L691 PolarHBondContact O-N 3.34Å; L688-G692 PolarHBondContact O-N 3.4Å |
| 689 | E | 70.8 | Confident | 65.1 | Low | 141 Ų | 141 | 115.3 Ų | 115.3 | 66% | 0.659 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.1 | -37.3 | 173.4 | -71.9 | -178.8 | 161.6 | 0 | 0 | 112.3 | Q685 Q686 G692 S693 | Q685-E689 WeakPolarHBondContact O-CG 3.48Å; Q685-E689 PolarHBondContact O-N 2.9Å; Q686-E689 PolarHBondContact O-N 2.94Å; E689-G692 PolarHBondContact O-N 2.91Å; E689-S693 VanDerWaalsContact O-CB 3.28Å; E689-S693 WeakPolarHBondContact O-CB 3.4Å; E689-S693 PolarHBondContact O-N 3.1Å; E689-S693 PolarHBondContact O-OG 3.09Å |
| 690 | E | 65.1 | Low | 63.5 | Low | 129 Ų | 129 | 119.7 Ų | 119.7 | 60% | 0.603 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.2 | -38.1 | 172.4 | -76 | -176.9 | 167.6 | 0 | 0 | 112.1 | Q686 S693 L694 | Q686-E690 WeakPolarHBondContact O-CB 3.42Å; Q686-E690 WeakPolarHBondContact O-CG 3.48Å; Q686-E690 PolarHBondContact O-N 3.14Å; E690-S693 PolarHBondContact O-OG 3.37Å; E690-L694 PolarHBondContact O-N 3.41Å |
| 691 | L | 63.3 | Low | 61.5 | Low | 117 Ų | 117 | 124.2 Ų | 124.2 | 61% | 0.613 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.9 | -37.8 | 174 | -71.9 | 170.4 | 0 | 0 | 0 | 112.4 | Q687 L688 V695 | Q687-L691 WeakPolarHBondContact O-CB 3.45Å; Q687-L691 WeakPolarHBondContact O-CD1 3.43Å; Q687-L691 VanDerWaalsContact O-CG 3.25Å; Q687-L691 WeakPolarHBondContact O-CG 3.32Å; Q687-L691 PolarHBondContact O-N 3.17Å; Q687-L691 VanDerWaalsContact O-N 3.17Å; L688-L691 PolarHBondContact O-N 3.34Å; L691-V695 WeakPolarHBondContact O-CG2 3.47Å; L691-V695 PolarHBondContact O-N 3.18Å |
| 692 | G | 62.2 | Low | 59.8 | Low | 34 Ų | 34 | 123.4 Ų | 123.4 | 35% | 0.351 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67.2 | -39.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L688 E689 V695 Q696 | L688-G692 PolarHBondContact O-N 3.4Å; E689-G692 PolarHBondContact O-N 2.91Å; G692-V695 PolarHBondContact O-N 3.29Å; G692-Q696 PolarHBondContact O-N 3.39Å; G692-Q696 VanDerWaalsContact O-N 3.17Å |
| 693 | S | 57.9 | Low | 58.3 | Low | 62 Ų | 62 | 125.2 Ų | 125.2 | 43% | 0.434 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -75.2 | -19.9 | 179 | 58.8 | 0 | 0 | 0 | 0 | 114 | E689 E690 | E689-S693 VanDerWaalsContact O-CB 3.28Å; E689-S693 WeakPolarHBondContact O-CB 3.4Å; E689-S693 PolarHBondContact O-N 3.1Å; E689-S693 PolarHBondContact O-OG 3.09Å; E690-S693 PolarHBondContact O-OG 3.37Å |
| 694 | L | 54.3 | Low | 56.5 | Low | 126 Ų | 126 | 132.4 Ų | 132.4 | 66% | 0.66 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -69.9 | -43 | 165.4 | -112.7 | 80.9 | 0 | 0 | 0 | 111.7 | E690 Q696 K697 | E690-L694 PolarHBondContact O-N 3.41Å; L694-Q696 VanDerWaalsContact C-N 3.27Å; L694-Q696 PolarHBondContact O-N 2.7Å; L694-K697 PolarHBondContact O-N 2.95Å; L694-K697 VanDerWaalsContact O-N 3.14Å |
| 695 | V | 52.9 | Low | 54.8 | Low | 112 Ų | 112 | 135.8 Ų | 135.8 | 68% | 0.679 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -67.2 | -27.6 | -179.8 | 174.5 | 0 | 0 | 0 | 0 | 112.1 | L691 G692 | L691-V695 WeakPolarHBondContact O-CG2 3.47Å; L691-V695 PolarHBondContact O-N 3.18Å; G692-V695 PolarHBondContact O-N 3.29Å |
| 696 | Q | 49.1 | Very low | 53.4 | Low | 158 Ų | 158 | 138.3 Ų | 138.3 | 74% | 0.738 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -2.8 | 174.8 | -71.9 | -179.6 | -18.4 | 0 | 0 | 114.6 | G692 L694 | G692-Q696 PolarHBondContact O-N 3.39Å; G692-Q696 VanDerWaalsContact O-N 3.17Å; L694-Q696 VanDerWaalsContact C-N 3.27Å; L694-Q696 PolarHBondContact O-N 2.7Å |
| 697 | K | 47.7 | Very low | 52.3 | Low | 187 Ų | 187 | 137.6 Ų | 137.6 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | -1.4 | 178.4 | -95.7 | -178.3 | 176.8 | 174 | 0 | 115.7 | L694 | L694-K697 PolarHBondContact O-N 2.95Å; L694-K697 VanDerWaalsContact O-N 3.14Å |
| 698 | E | 44.7 | Very low | 50.8 | Low | 185 Ų | 185 | 139 Ų | 139 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -96.1 | 4.9 | 172.5 | -74.5 | -168 | 146.1 | 0 | 0 | 113.8 | ||
| 699 | H | 47.3 | Very low | 49.5 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 79% | 0.787 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -112.6 | 0.7 | -172 | -121.9 | -38.6 | 0 | 0 | 0 | 117.6 | ||
| 700 | D | 45 | Very low | 47.9 | Very low | 160 Ų | 160 | 138.1 Ų | 138.1 | 86% | 0.856 | 73% | 0.734 | S | S | * | * | trans | -121.1 | 81 | 177.5 | -86.8 | -39.3 | 0 | 0 | 0 | 112.8 | ||||
| 701 | E | 39.3 | Very low | 46.7 | Very low | 192 Ų | 192 | 139 Ų | 139 | 90% | 0.897 | 74% | 0.743 | S | S | * | * | trans | -140.1 | 142 | 147.2 | -109.4 | -161.7 | 145.4 | 0 | 0 | 110.5 | ||||
| 702 | P | 44.5 | Very low | 46.2 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | trans | -89.5 | 157.9 | -161.6 | 35 | -36.9 | 0 | 0 | 0 | 114.9 | ||||
| 703 | P | 49.3 | Very low | 45.2 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -78.2 | 143 | -173.8 | 32.1 | -36.2 | 0 | 0 | 0 | 113.4 | ||||
| 704 | K | 37.8 | Very low | 44.7 | Very low | 193 Ų | 193 | 146.9 Ų | 146.9 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -139.4 | 102.5 | 167.5 | -76.2 | -173.7 | 178.5 | 172.5 | 0 | 112.9 | ||||
| 705 | H | 35.8 | Very low | 44.3 | Very low | 183 Ų | 183 | 147.9 Ų | 147.9 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | trans | 35.3 | 109.3 | 144.6 | -80.8 | -77.8 | 0 | 0 | 0 | 120.4 | ||||
| 706 | D | 43 | Very low | 44 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -64.6 | 150.2 | 137.8 | -72.6 | -45.6 | 0 | 0 | 0 | 110.7 | ||||
| 707 | P | 49.8 | Very low | 43.5 | Very low | 105 Ų | 105 | 153.5 Ų | 153.5 | 68% | 0.682 | 82% | 0.824 | S | S | * | * | -141.8 | 145.7 | 127.8 | 34.8 | -20.3 | 0 | 0 | 0 | 115.3 | |||||
| 708 | L | 37.4 | Very low | 43.3 | Very low | 152 Ų | 152 | 151.9 Ų | 151.9 | 80% | 0.796 | 82% | 0.824 | S | S | * | * | trans | 78.3 | 96.5 | 149.2 | -63.6 | 160.7 | 0 | 0 | 0 | 120.2 | ||||
| 709 | T | 41.3 | Very low | 43.3 | Very low | 127 Ų | 127 | 150.1 Ų | 150.1 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | -0.8 | 130.8 | 120.4 | 50.7 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 710 | S | 38.2 | Very low | 43 | Very low | 118 Ų | 118 | 149 Ų | 149 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -154.2 | 152.7 | 140.3 | 41.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 711 | D | 40 | Very low | 42.9 | Very low | 149 Ų | 149 | 148.4 Ų | 148.4 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | trans | -81.1 | 165.1 | -157.6 | -67.3 | -67.6 | 0 | 0 | 0 | 116.8 | ||||
| 712 | P | 51.7 | Low | 43.2 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | trans | -74.9 | 138.9 | 165.4 | 32.4 | -34.6 | 0 | 0 | 0 | 111.7 | ||||
| 713 | V | 42.6 | Very low | 43.1 | Very low | 140 Ų | 140 | 148.4 Ų | 148.4 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | trans | -109.1 | 127.9 | 172.1 | 175.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 714 | T | 46.5 | Very low | 42.6 | Very low | 116 Ų | 116 | 149.9 Ų | 149.9 | 71% | 0.712 | 83% | 0.827 | S | S | * | * | trans | -111.5 | 143.6 | 169.2 | 44.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 715 | L | 45.7 | Very low | 43 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 78% | 0.775 | 83% | 0.826 | S | S | * | * | trans | 69.2 | 137.5 | 160.6 | -61.5 | 162.2 | 0 | 0 | 0 | 114.8 | ||||
| 716 | D | 46.5 | Very low | 43.6 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 75% | 0.749 | 83% | 0.825 | S | S | * | * | cis | -157.3 | 141.5 | 26.2 | -91.6 | -41.1 | 0 | 0 | 0 | 111 | ||||
| 717 | L | 40.4 | Very low | 43.6 | Very low | 248 Ų | 248 | 142.2 Ų | 142.2 | 100% | 1.298 | 82% | 0.822 | S | S | * | * | trans | 174.4 | 0 | 135.6 | -100.8 | 161.5 | 0 | 0 | 0 | 111.4 |
Retrieved 717 of 717 residues in 654.7 ms
(Link to these results)