| 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 | 35.3 | Very low | 35.2 | Very low | 249 Ų | 249 | 147.3 Ų | 147.3 | 100% | 1.227 | 79% | 0.791 | S | S | * | * | 0 | 135.4 | 0 | -49.5 | 177 | -160.4 | 0 | 0 | 106.7 | |||||
| 2 | A | 33.9 | Very low | 35.5 | Very low | 87 Ų | 87 | 144.4 Ų | 144.4 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | cis | -154 | 156.3 | -12.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 3 | T | 37.1 | Very low | 36.8 | Very low | 141 Ų | 141 | 140.8 Ų | 140.8 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | trans | 8.9 | 144.9 | 149.7 | 56 | 0 | 0 | 0 | 0 | 121 | ||||
| 4 | G | 37.1 | Very low | 36.8 | Very low | 66 Ų | 66 | 141.1 Ų | 141.1 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | cis | 150.2 | 173.5 | 0.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 5 | S | 38.6 | Very low | 36.8 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 96% | 0.958 | 78% | 0.779 | S | S | * | * | trans | 71 | 141.7 | 170 | -52.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 6 | G | 34.7 | Very low | 36.7 | Very low | 62 Ų | 62 | 140.9 Ų | 140.9 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | cis | 163.3 | 150 | -14.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 7 | W | 34.7 | Very low | 36.4 | Very low | 236 Ų | 236 | 136.8 Ų | 136.8 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | trans | 68.7 | 149.8 | 152.3 | -63.6 | 62.5 | 0 | 0 | 0 | 118.7 | ||||
| 8 | Q | 36.6 | Very low | 36.5 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | cis | -139.3 | -103.5 | 8.8 | -164.6 | 169.7 | -23.7 | 0 | 0 | 116.8 | ||||
| 9 | Q | 37 | Very low | 36.1 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 58% | 0.579 | 79% | 0.791 | S | S | * | * | trans | -147.6 | -164.2 | -159.6 | -63.2 | 164.2 | -61.6 | 0 | 0 | 112.1 | ||||
| 10 | Y | 32.6 | Very low | 36 | Very low | 173 Ų | 173 | 141.1 Ų | 141.1 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | cis | -171.2 | 171.7 | 14.9 | -135.5 | -18.1 | 0 | 0 | 0 | 115 | ||||
| 11 | Y | 30 | Very low | 36.7 | Very low | 198 Ų | 198 | 140 Ų | 140 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | 74.7 | 160.7 | 156.6 | -89.6 | -81.2 | 0 | 0 | 0 | 125.1 | ||||
| 12 | C | 38.5 | Very low | 36.3 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | -167 | -164.4 | -171.8 | -145.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 13 | P | 52.6 | Low | 36.2 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | cis | -144.9 | -155.5 | 0.3 | 43.9 | -20.1 | 0 | 0 | 0 | 117.2 | ||||
| 14 | T | 36.7 | Very low | 35.9 | Very low | 145 Ų | 145 | 136.3 Ų | 136.3 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | trans | 72.1 | 156.1 | 161.9 | 50.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 15 | G | 36.6 | Very low | 35.6 | Very low | 67 Ų | 67 | 137.3 Ų | 137.3 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | cis | 165.6 | 165.6 | -10.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 16 | Q | 35.4 | Very low | 35.2 | Very low | 212 Ų | 212 | 136.2 Ų | 136.2 | 99% | 0.991 | 76% | 0.763 | S | S | * | * | trans | 74.4 | 158.4 | 169.1 | -51.6 | -177.4 | -2.8 | 0 | 0 | 120.2 | ||||
| 17 | G | 32 | Very low | 35.1 | Very low | 71 Ų | 71 | 143.4 Ų | 143.4 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | cis | 161 | 135.4 | -20.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 18 | K | 37.2 | Very low | 34.9 | Very low | 188 Ų | 188 | 140.9 Ų | 140.9 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | trans | 74.4 | 165.7 | 161.4 | -58.9 | -175.2 | 177.9 | 179.5 | 0 | 119.3 | ||||
| 19 | F | 28.7 | Very low | 34.5 | Very low | 183 Ų | 183 | 139.9 Ų | 139.9 | 80% | 0.803 | 78% | 0.784 | S | S | * | * | cis | -156.3 | 168.5 | 30.1 | -110.6 | -78.1 | 0 | 0 | 0 | 116.2 | ||||
| 20 | T | 34.4 | Very low | 34.2 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | trans | -149.4 | 153.2 | 166.9 | 57.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 21 | P | 50.4 | Low | 34.6 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | -150.8 | -152.7 | 105.2 | 36.6 | -13.6 | 0 | 0 | 0 | 112.7 | |||||
| 22 | L | 28.4 | Very low | 34.8 | Very low | 162 Ų | 162 | 131 Ų | 131 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | cis | -156.4 | -156.8 | 5.1 | -157.6 | 80.9 | 0 | 0 | 0 | 110.9 | ||||
| 23 | S | 31.1 | Very low | 34.8 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | trans | -148.2 | 171.7 | -166.7 | -59.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 24 | T | 30.5 | Very low | 34.3 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | trans | 86.1 | 118 | 144.8 | 30.5 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 25 | A | 31.3 | Very low | 34.6 | Very low | 88 Ų | 88 | 140.8 Ų | 140.8 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | 89.3 | 132.5 | 121.3 | 0 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 26 | S | 30 | Very low | 35.2 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | 65.7 | 134 | 144.4 | -62.2 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 27 | F | 32.5 | Very low | 36.3 | Very low | 213 Ų | 213 | 141.4 Ų | 141.4 | 93% | 0.934 | 80% | 0.804 | S | S | * | * | -165.4 | 172.5 | 122.5 | -118.8 | -81.5 | 0 | 0 | 0 | 112.4 | |||||
| 28 | Q | 30.6 | Very low | 37.8 | Very low | 183 Ų | 183 | 142 Ų | 142 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -142.2 | 171.8 | -168.7 | -147 | -172.1 | 22.5 | 0 | 0 | 112.9 | ||||
| 29 | S | 28.7 | Very low | 39.2 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 88% | 0.881 | 77% | 0.77 | S | S | * | * | trans | 84.3 | 158.3 | 170.7 | -150.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 30 | G | 30.6 | Very low | 40.9 | Very low | 66 Ų | 66 | 134.4 Ų | 134.4 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | trans | -136.4 | 179.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 31 | V | 41 | Very low | 42.7 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 87% | 0.873 | 75% | 0.75 | S | S | * | * | trans | -132.7 | 134.7 | -179.4 | 178.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 32 | A | 33.2 | Very low | 43.8 | Very low | 98 Ų | 98 | 135.2 Ų | 135.2 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | trans | -90.8 | 130.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 33 | M | 38.9 | Very low | 45.8 | Very low | 173 Ų | 173 | 132.7 Ų | 132.7 | 85% | 0.852 | 73% | 0.727 | S | S | * | * | trans | -147.3 | 139.3 | 160.1 | -109.5 | -176.1 | 175.4 | 0 | 0 | 108.9 | Y35 | M33-Y35 PolarHBondContact O-N 3.17Š| ||
| 34 | E | 42.8 | Very low | 47.6 | Very low | 199 Ų | 199 | 130.7 Ų | 130.7 | 93% | 0.93 | 71% | 0.713 | S | S | * | * | trans | -71.7 | 111.8 | -176.5 | -63.8 | 179 | 119.7 | 0 | 0 | 110.7 | ||||
| 35 | Y | 43 | Very low | 49.7 | Very low | 190 Ų | 190 | 130.9 Ų | 130.9 | 75% | 0.745 | 70% | 0.703 | S | S | * | * | trans | -126.9 | 136.8 | 164.3 | -103.9 | -88.5 | 0 | 0 | 0 | 109.5 | M33 L39 | M33-Y35 PolarHBondContact O-N 3.17Å; Y35-L39 HydrophobicContact CD1-CD2 3.48Å; Y35-L39 VanDerWaalsContact CD1-CD2 3.48Å; Y35-L39 HydrophobicContact CE1-CD2 3.84Å; Y35-L39 HydrophobicContact CG-CD2 4.4Å | ||
| 36 | T | 47.8 | Very low | 52 | Low | 110 Ų | 110 | 133.1 Ų | 133.1 | 68% | 0.675 | 70% | 0.696 | S | S | * | * | trans | -64.5 | 142.7 | -168.6 | 50 | 0 | 0 | 0 | 0 | 112.5 | D38 L39 | T36-D38 PolarHBondContact O-N 2.89Å; T36-L39 PolarHBondContact O-N 2.84Å | ||
| 37 | Q | 59.6 | Low | 54.3 | Low | 183 Ų | 183 | 132.2 Ų | 132.2 | 86% | 0.855 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -56.7 | -22.9 | -167.6 | -165 | 171.2 | 3.1 | 0 | 0 | 114.7 | ||
| 38 | D | 62.1 | Low | 56.1 | Low | 84 Ų | 84 | 125 Ų | 125 | 45% | 0.449 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -73.4 | -32.6 | 176.5 | -174.7 | 52.6 | 0 | 0 | 0 | 113.6 | T36 L41 R42 | T36-D38 PolarHBondContact O-N 2.89Å; D38-L41 PolarHBondContact O-N 3.49Å; D38-R42 WeakPolarHBondContact O-CG 3.46Å; D38-R42 PolarHBondContact O-N 3.26Å; D38-R42 IonicContact OD1-NE 3.65Å; D38-R42 IonicContact OD1-NH2 3.03Å; D38-R42 IonicContact OD2-CZ 2.85Å; D38-R42 IonicContact OD2-NE 3.63Å; D38-R42 PolarHBondContact OD2-NE 3Å; D38-R42 IonicContact OD2-NH2 2.72Å; D38-R42 PolarHBondContact OD2-NH2 3.46Å |
| 39 | L | 67.9 | Low | 58.1 | Low | 76 Ų | 76 | 122.4 Ų | 122.4 | 40% | 0.398 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -68.1 | -43.1 | 179.8 | -175.7 | 64 | 0 | 0 | 0 | 111.4 | Y35 T36 L41 R42 M43 | Y35-L39 HydrophobicContact CD1-CD2 3.48Å; Y35-L39 VanDerWaalsContact CD1-CD2 3.48Å; Y35-L39 HydrophobicContact CE1-CD2 3.84Å; Y35-L39 HydrophobicContact CG-CD2 4.4Å; T36-L39 PolarHBondContact O-N 2.84Å; L39-L41 VanDerWaalsContact C-N 3.29Å; L39-L41 PolarHBondContact O-N 2.68Å; L39-R42 PolarHBondContact O-N 3.46Å; L39-M43 PolarHBondContact O-N 3.39Å |
| 40 | H | 64.8 | Low | 60.4 | Low | 134 Ų | 134 | 121.2 Ų | 121.2 | 62% | 0.62 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.5 | -37.7 | 179.2 | -157.3 | -60.9 | 0 | 0 | 0 | 111.4 | R42 M43 S44 | H40-R42 VanDerWaalsContact C-N 3.35Å; H40-R42 PolarHBondContact O-N 3.49Å; H40-M43 PolarHBondContact O-N 2.96Å; H40-S44 PolarHBondContact O-N 3.27Å; H40-S44 PolarHBondContact O-OG 3.4Å |
| 41 | L | 70.8 | Confident | 62.4 | Low | 100 Ų | 100 | 122.1 Ų | 122.1 | 52% | 0.524 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.7 | -38 | 176.6 | -157 | 80.5 | 0 | 0 | 0 | 112.2 | D38 L39 K45 | D38-L41 PolarHBondContact O-N 3.49Å; L39-L41 VanDerWaalsContact C-N 3.29Å; L39-L41 PolarHBondContact O-N 2.68Å; L41-K45 WeakPolarHBondContact O-CG 3.45Å; L41-K45 PolarHBondContact O-N 3.09Å; L41-K45 VanDerWaalsContact O-N 3.15Å |
| 42 | R | 74.7 | Confident | 64.2 | Low | 161 Ų | 161 | 123.1 Ų | 123.1 | 61% | 0.608 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.4 | -41.9 | 175.2 | -65.7 | 173.5 | -168 | -138.4 | 7.8 | 111.6 | D38 L39 H40 K45 K46 | D38-R42 WeakPolarHBondContact O-CG 3.46Å; D38-R42 PolarHBondContact O-N 3.26Å; D38-R42 IonicContact OD1-NE 3.65Å; D38-R42 IonicContact OD1-NH2 3.03Å; D38-R42 IonicContact OD2-CZ 2.85Å; D38-R42 IonicContact OD2-NE 3.63Å; D38-R42 PolarHBondContact OD2-NE 3Å; D38-R42 IonicContact OD2-NH2 2.72Å; D38-R42 PolarHBondContact OD2-NH2 3.46Å; L39-R42 PolarHBondContact O-N 3.46Å; H40-R42 VanDerWaalsContact C-N 3.35Å; H40-R42 PolarHBondContact O-N 3.49Å; R42-K45 PolarHBondContact O-N 3.23Å; R42-K46 PolarHBondContact O-N 3.34Å; R42-K46 VanDerWaalsContact O-N 3.07Å |
| 43 | M | 70.3 | Confident | 66.5 | Low | 109 Ų | 109 | 122.5 Ų | 122.5 | 54% | 0.537 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -61.4 | -50.6 | 173.4 | -81.1 | 179.9 | 60.9 | 0 | 0 | 112 | L39 H40 K45 K46 I47 | L39-M43 PolarHBondContact O-N 3.39Å; H40-M43 PolarHBondContact O-N 2.96Å; M43-K45 VanDerWaalsContact C-N 3.29Å; M43-K45 PolarHBondContact O-N 3.32Å; M43-K46 WeakPolarHBondContact O-CB 3.36Å; M43-K46 PolarHBondContact O-N 3.32Å; M43-I47 WeakPolarHBondContact O-CG1 3.43Å; M43-I47 PolarHBondContact O-N 3.19Å |
| 44 | S | 67.9 | Low | 68.3 | Low | 57 Ų | 57 | 118.7 Ų | 118.7 | 40% | 0.399 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -57.9 | -38.9 | 178.9 | -63 | 0 | 0 | 0 | 0 | 112.6 | H40 A48 | H40-S44 PolarHBondContact O-N 3.27Å; H40-S44 PolarHBondContact O-OG 3.4Å; S44-A48 WeakPolarHBondContact O-CB 3.47Å; S44-A48 PolarHBondContact O-N 3.26Å |
| 45 | K | 74.8 | Confident | 70.1 | Confident | 141 Ų | 141 | 117.4 Ų | 117.4 | 61% | 0.613 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.8 | -40.8 | 173 | -77.2 | 179.9 | 177.4 | 178.5 | 0 | 112.8 | L41 R42 M43 A48 Q49 | L41-K45 WeakPolarHBondContact O-CG 3.45Å; L41-K45 PolarHBondContact O-N 3.09Å; L41-K45 VanDerWaalsContact O-N 3.15Å; R42-K45 PolarHBondContact O-N 3.23Å; M43-K45 VanDerWaalsContact C-N 3.29Å; M43-K45 PolarHBondContact O-N 3.32Å; K45-A48 PolarHBondContact O-N 3.12Å; K45-Q49 PolarHBondContact O-N 3.19Å |
| 46 | K | 80.3 | Confident | 71.7 | Confident | 135 Ų | 135 | 111.2 Ų | 111.2 | 59% | 0.587 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67 | -42.3 | 178.3 | -151.3 | 76.6 | 174.7 | -177.8 | 0 | 111.6 | R42 M43 Q49 L50 | R42-K46 PolarHBondContact O-N 3.34Å; R42-K46 VanDerWaalsContact O-N 3.07Å; M43-K46 WeakPolarHBondContact O-CB 3.36Å; M43-K46 PolarHBondContact O-N 3.32Å; K46-Q49 PolarHBondContact O-N 2.93Å; K46-L50 WeakPolarHBondContact O-CG 3.26Å; K46-L50 PolarHBondContact O-N 3Å |
| 47 | I | 77.3 | Confident | 73.3 | Confident | 95 Ų | 95 | 111.3 Ų | 111.3 | 49% | 0.487 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.5 | -51.6 | 173.5 | -66.3 | 165.9 | 0 | 0 | 0 | 109.6 | M43 Q49 L50 T51 | M43-I47 WeakPolarHBondContact O-CG1 3.43Å; M43-I47 PolarHBondContact O-N 3.19Å; I47-Q49 VanDerWaalsContact C-N 3.31Å; I47-Q49 PolarHBondContact O-N 3.48Å; I47-L50 CarbonylContact O-C 3.57Å; I47-L50 PolarHBondContact O-N 3.28Å; I47-T51 PolarHBondContact O-N 3.36Å; I47-T51 PolarHBondContact O-OG1 3.41Å; I47-T51 VanDerWaalsContact O-OG1 3.05Å |
| 48 | A | 70.8 | Confident | 74.2 | Confident | 60 Ų | 60 | 106.9 Ų | 106.9 | 50% | 0.496 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60 | -36.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S44 K45 K52 | S44-A48 WeakPolarHBondContact O-CB 3.47Å; S44-A48 PolarHBondContact O-N 3.26Å; K45-A48 PolarHBondContact O-N 3.12Å; A48-K52 WeakPolarHBondContact O-CB 3.36Å; A48-K52 PolarHBondContact O-N 3.1Å |
| 49 | Q | 73.7 | Confident | 75 | Confident | 129 Ų | 129 | 104.9 Ų | 104.9 | 60% | 0.603 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.3 | -46.2 | 171.4 | -79.2 | -173 | -47.1 | 0 | 0 | 112 | K45 K46 I47 K52 V53 | K45-Q49 PolarHBondContact O-N 3.19Å; K46-Q49 PolarHBondContact O-N 2.93Å; I47-Q49 VanDerWaalsContact C-N 3.31Å; I47-Q49 PolarHBondContact O-N 3.48Å; Q49-K52 PolarHBondContact O-N 3.35Å; Q49-V53 WeakPolarHBondContact O-CG2 3.4Å; Q49-V53 PolarHBondContact O-N 3.22Å |
| 50 | L | 75.9 | Confident | 75.6 | Confident | 102 Ų | 102 | 106.7 Ų | 106.7 | 53% | 0.534 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 177 | -72.7 | 167.5 | 0 | 0 | 0 | 111.5 | K46 I47 K52 V53 I54 | K46-L50 WeakPolarHBondContact O-CG 3.26Å; K46-L50 PolarHBondContact O-N 3Å; I47-L50 CarbonylContact O-C 3.57Å; I47-L50 PolarHBondContact O-N 3.28Å; L50-K52 VanDerWaalsContact C-N 3.3Å; L50-K52 PolarHBondContact O-N 3.31Å; L50-V53 PolarHBondContact O-N 3.31Å; L50-V53 VanDerWaalsContact O-N 3.16Å; L50-I54 WeakPolarHBondContact O-CB 3.46Å; L50-I54 VanDerWaalsContact O-CG1 3.26Å; L50-I54 WeakPolarHBondContact O-CG1 3.45Å; L50-I54 PolarHBondContact O-N 3.36Å |
| 51 | T | 73.6 | Confident | 76.5 | Confident | 84 Ų | 84 | 104 Ų | 104 | 52% | 0.515 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.7 | -41 | 175 | -54.4 | 0 | 0 | 0 | 0 | 111.8 | I47 Y55 | I47-T51 PolarHBondContact O-N 3.36Å; I47-T51 PolarHBondContact O-OG1 3.41Å; I47-T51 VanDerWaalsContact O-OG1 3.05Å; T51-Y55 VanDerWaalsContact O-CB 3.31Å; T51-Y55 WeakPolarHBondContact O-CB 3.48Å; T51-Y55 PolarHBondContact O-N 3.42Å |
| 52 | K | 77.3 | Confident | 77.1 | Confident | 165 Ų | 165 | 103.7 Ų | 103.7 | 72% | 0.717 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.4 | -37.7 | 176.9 | -173.1 | 172.1 | -178.7 | 176.7 | 0 | 112.7 | A48 Q49 L50 A56 | A48-K52 WeakPolarHBondContact O-CB 3.36Å; A48-K52 PolarHBondContact O-N 3.1Å; Q49-K52 PolarHBondContact O-N 3.35Å; L50-K52 VanDerWaalsContact C-N 3.3Å; L50-K52 PolarHBondContact O-N 3.31Å; K52-A56 WeakPolarHBondContact O-CB 3.33Å; K52-A56 PolarHBondContact O-N 3.42Å |
| 53 | V | 81.6 | Confident | 77.4 | Confident | 85 Ų | 85 | 101.6 Ų | 101.6 | 52% | 0.515 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.3 | -41.8 | 176.4 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | Q49 L50 A56 L57 | Q49-V53 WeakPolarHBondContact O-CG2 3.4Å; Q49-V53 PolarHBondContact O-N 3.22Å; L50-V53 PolarHBondContact O-N 3.31Å; L50-V53 VanDerWaalsContact O-N 3.16Å; V53-A56 PolarHBondContact O-N 2.71Å; V53-L57 HydrophobicContact CG1-CD1 3.95Å; V53-L57 WeakPolarHBondContact O-CB 3.26Å; V53-L57 WeakPolarHBondContact O-CG 3.36Å; V53-L57 PolarHBondContact O-N 3.04Å |
| 54 | I | 78.2 | Confident | 78 | Confident | 94 Ų | 94 | 101.3 Ų | 101.3 | 48% | 0.482 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 174.8 | -68.7 | 163.5 | 0 | 0 | 0 | 110.2 | L50 A56 L57 N58 | L50-I54 WeakPolarHBondContact O-CB 3.46Å; L50-I54 VanDerWaalsContact O-CG1 3.26Å; L50-I54 WeakPolarHBondContact O-CG1 3.45Å; L50-I54 PolarHBondContact O-N 3.36Å; I54-A56 PolarHBondContact O-N 3.2Å; I54-L57 PolarHBondContact O-N 3.34Å; I54-N58 WeakPolarHBondContact O-CB 3.41Å; I54-N58 PolarHBondContact O-N 3.24Å; I54-N58 PolarHBondContact O-OD1 3.46Å |
| 55 | Y | 80.8 | Confident | 78.9 | Confident | 171 Ų | 171 | 104.2 Ų | 104.2 | 67% | 0.671 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.9 | -47.7 | 175.9 | -170.7 | -83 | 0 | 0 | 0 | 111.4 | T51 L57 N58 T59 | T51-Y55 VanDerWaalsContact O-CB 3.31Å; T51-Y55 WeakPolarHBondContact O-CB 3.48Å; T51-Y55 PolarHBondContact O-N 3.42Å; Y55-L57 VanDerWaalsContact C-N 3.33Å; Y55-L57 PolarHBondContact O-N 3.24Å; Y55-N58 PolarHBondContact O-N 2.99Å; Y55-T59 VanDerWaalsContact CE1-OG1 3.26Å; Y55-T59 WeakPolarHBondContact CE1-OG1 3.36Å; Y55-T59 PolarHBondContact O-N 3.2Å; Y55-T59 PolarHBondContact O-OG1 3.13Å; Y55-T59 VanDerWaalsContact O-OG1 3.07Å |
| 56 | A | 75.7 | Confident | 79.3 | Confident | 60 Ų | 60 | 100.2 Ų | 100.2 | 50% | 0.496 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.3 | -32.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K52 V53 I54 K60 | K52-A56 WeakPolarHBondContact O-CB 3.33Å; K52-A56 PolarHBondContact O-N 3.42Å; V53-A56 PolarHBondContact O-N 2.71Å; I54-A56 PolarHBondContact O-N 3.2Å; A56-K60 WeakPolarHBondContact O-CB 3.23Å; A56-K60 PolarHBondContact O-N 3.17Å |
| 57 | L | 80.9 | Confident | 79.4 | Confident | 112 Ų | 112 | 96.3 Ų | 96.3 | 59% | 0.586 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -72.3 | -43.1 | 173 | -81.2 | 167.8 | 0 | 0 | 0 | 111.9 | V53 I54 Y55 K60 N61 | V53-L57 HydrophobicContact CG1-CD1 3.95Å; V53-L57 WeakPolarHBondContact O-CB 3.26Å; V53-L57 WeakPolarHBondContact O-CG 3.36Å; V53-L57 PolarHBondContact O-N 3.04Å; I54-L57 PolarHBondContact O-N 3.34Å; Y55-L57 VanDerWaalsContact C-N 3.33Å; Y55-L57 PolarHBondContact O-N 3.24Å; L57-K60 PolarHBondContact O-N 3.49Å; L57-N61 WeakPolarHBondContact O-CB 3.38Å; L57-N61 PolarHBondContact O-N 2.91Å |
| 58 | N | 78.7 | Confident | 79.7 | Confident | 90 Ų | 90 | 96.2 Ų | 96.2 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -52.4 | 176.8 | -78.2 | 30.7 | 0 | 0 | 0 | 110.7 | I54 Y55 K60 N61 D62 | I54-N58 WeakPolarHBondContact O-CB 3.41Å; I54-N58 PolarHBondContact O-N 3.24Å; I54-N58 PolarHBondContact O-OD1 3.46Å; Y55-N58 PolarHBondContact O-N 2.99Å; N58-K60 PolarHBondContact O-N 3.48Å; N58-K60 VanDerWaalsContact O-N 3.16Å; N58-N61 CarbonylContact O-C 3.5Å; N58-N61 WeakPolarHBondContact O-CA 3.45Å; N58-N61 WeakPolarHBondContact O-CB 3.3Å; N58-N61 PolarHBondContact O-N 2.92Å; N58-D62 PolarHBondContact O-N 3.04Å |
| 59 | T | 79.6 | Confident | 80.3 | Confident | 43 Ų | 43 | 95.9 Ų | 95.9 | 26% | 0.264 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -55.1 | -39 | 176.8 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | Y55 D62 E63 | Y55-T59 VanDerWaalsContact CE1-OG1 3.26Å; Y55-T59 WeakPolarHBondContact CE1-OG1 3.36Å; Y55-T59 PolarHBondContact O-N 3.2Å; Y55-T59 PolarHBondContact O-OG1 3.13Å; Y55-T59 VanDerWaalsContact O-OG1 3.07Å; T59-D62 PolarHBondContact O-N 3.19Å; T59-E63 WeakPolarHBondContact O-CB 3.33Å; T59-E63 WeakPolarHBondContact O-CG 3.19Å; T59-E63 PolarHBondContact O-N 3.39Å |
| 60 | K | 79.8 | Confident | 80.8 | Confident | 114 Ų | 114 | 93.8 Ų | 93.8 | 50% | 0.496 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.8 | -31.4 | 175.1 | -170.6 | 171.4 | -178.5 | -178.4 | 0 | 113.4 | A56 L57 N58 H64 | A56-K60 WeakPolarHBondContact O-CB 3.23Å; A56-K60 PolarHBondContact O-N 3.17Å; L57-K60 PolarHBondContact O-N 3.49Å; N58-K60 PolarHBondContact O-N 3.48Å; N58-K60 VanDerWaalsContact O-N 3.16Å; K60-H64 VanDerWaalsContact CE-NE2 3.3Å; K60-H64 WeakPolarHBondContact CE-NE2 3.47Å; K60-H64 WeakPolarHBondContact O-CB 3.38Å; K60-H64 PolarHBondContact O-CD2 3.16Å; K60-H64 PolarHBondContact O-N 3.12Å |
| 61 | N | 83.5 | Confident | 81.2 | Confident | 78 Ų | 78 | 94.2 Ų | 94.2 | 42% | 0.417 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.2 | -42.5 | 171.9 | -171.3 | 85.1 | 0 | 0 | 0 | 111 | L57 N58 E63 H64 E65 | L57-N61 WeakPolarHBondContact O-CB 3.38Å; L57-N61 PolarHBondContact O-N 2.91Å; N58-N61 CarbonylContact O-C 3.5Å; N58-N61 WeakPolarHBondContact O-CA 3.45Å; N58-N61 WeakPolarHBondContact O-CB 3.3Å; N58-N61 PolarHBondContact O-N 2.92Å; N61-E63 VanDerWaalsContact C-N 3.34Å; N61-E63 PolarHBondContact O-N 3.49Å; N61-H64 CarbonylContact O-C 3.46Å; N61-H64 PolarHBondContact O-N 2.77Å; N61-H64 VanDerWaalsContact O-N 3.1Å; N61-E65 PolarHBondContact ND2-OE1 3.31Å; N61-E65 PolarHBondContact O-N 3.37Å |
| 62 | D | 83.6 | Confident | 81.8 | Confident | 92 Ų | 92 | 96.8 Ų | 96.8 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 174.6 | -51.9 | -30.2 | 0 | 0 | 0 | 110.6 | N58 T59 E65 A66 | N58-D62 PolarHBondContact O-N 3.04Å; T59-D62 PolarHBondContact O-N 3.19Å; D62-E65 PolarHBondContact O-N 3.18Å; D62-A66 VanDerWaalsContact O-CB 3.31Å; D62-A66 WeakPolarHBondContact O-CB 3.48Å; D62-A66 PolarHBondContact O-N 2.91Å |
| 63 | E | 82 | Confident | 82.2 | Confident | 118 Ų | 118 | 94.9 Ų | 94.9 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.1 | -41.4 | 171.1 | -76.5 | 167 | -175.8 | 0 | 0 | 112.3 | T59 N61 A67 | T59-E63 WeakPolarHBondContact O-CB 3.33Å; T59-E63 WeakPolarHBondContact O-CG 3.19Å; T59-E63 PolarHBondContact O-N 3.39Å; N61-E63 VanDerWaalsContact C-N 3.34Å; N61-E63 PolarHBondContact O-N 3.49Å; E63-A67 WeakPolarHBondContact O-CB 3.41Å; E63-A67 PolarHBondContact O-N 2.99Å |
| 64 | H | 82.8 | Confident | 82.3 | Confident | 102 Ų | 102 | 93 Ų | 93 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.5 | -38.7 | 177 | -76.9 | -45.9 | 0 | 0 | 0 | 112.9 | K60 N61 A67 I68 | K60-H64 VanDerWaalsContact CE-NE2 3.3Å; K60-H64 WeakPolarHBondContact CE-NE2 3.47Å; K60-H64 WeakPolarHBondContact O-CB 3.38Å; K60-H64 PolarHBondContact O-CD2 3.16Å; K60-H64 PolarHBondContact O-N 3.12Å; N61-H64 CarbonylContact O-C 3.46Å; N61-H64 PolarHBondContact O-N 2.77Å; N61-H64 VanDerWaalsContact O-N 3.1Å; H64-A67 PolarHBondContact O-N 3.01Å; H64-I68 VanDerWaalsContact O-CG1 3.29Å; H64-I68 WeakPolarHBondContact O-CG1 3.16Å; H64-I68 PolarHBondContact O-N 3.02Å |
| 65 | E | 85.4 | Confident | 82.6 | Confident | 119 Ų | 119 | 93.7 Ų | 93.7 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.3 | -39.5 | 174.9 | -74.6 | -175.5 | -157 | 0 | 0 | 111.3 | N61 D62 I68 A69 | N61-E65 PolarHBondContact ND2-OE1 3.31Å; N61-E65 PolarHBondContact O-N 3.37Å; D62-E65 PolarHBondContact O-N 3.18Å; E65-I68 PolarHBondContact O-N 3.5Å; E65-A69 WeakPolarHBondContact O-CB 3.23Å; E65-A69 PolarHBondContact O-N 3.44Å |
| 66 | A | 83.2 | Confident | 82.9 | Confident | 56 Ų | 56 | 91.9 Ų | 91.9 | 46% | 0.463 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D62 I68 A69 T70 | D62-A66 VanDerWaalsContact O-CB 3.31Å; D62-A66 WeakPolarHBondContact O-CB 3.48Å; D62-A66 PolarHBondContact O-N 2.91Å; A66-I68 VanDerWaalsContact C-N 3.31Å; A66-I68 PolarHBondContact O-N 3.34Å; A66-A69 WeakPolarHBondContact O-CB 3.47Å; A66-A69 PolarHBondContact O-N 2.92Å; A66-T70 PolarHBondContact O-N 3.33Å; A66-T70 VanDerWaalsContact O-N 3.07Å; A66-T70 PolarHBondContact O-OG1 3Å |
| 67 | A | 82.2 | Confident | 83.4 | Confident | 54 Ų | 54 | 95.4 Ų | 95.4 | 45% | 0.446 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.2 | -28.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E63 H64 T70 L71 | E63-A67 WeakPolarHBondContact O-CB 3.41Å; E63-A67 PolarHBondContact O-N 2.99Å; H64-A67 PolarHBondContact O-N 3.01Å; A67-T70 PolarHBondContact O-OG1 3.45Å; A67-L71 WeakPolarHBondContact O-CB 3.23Å; A67-L71 PolarHBondContact O-N 3.4Å |
| 68 | I | 83.9 | Confident | 83.6 | Confident | 93 Ų | 93 | 95.1 Ų | 95.1 | 48% | 0.477 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -76.6 | -33 | 172.5 | -70.8 | 165.7 | 0 | 0 | 0 | 111 | H64 E65 A66 K72 | H64-I68 VanDerWaalsContact O-CG1 3.29Å; H64-I68 WeakPolarHBondContact O-CG1 3.16Å; H64-I68 PolarHBondContact O-N 3.02Å; E65-I68 PolarHBondContact O-N 3.5Å; A66-I68 VanDerWaalsContact C-N 3.31Å; A66-I68 PolarHBondContact O-N 3.34Å; I68-K72 HydrophobicContact CG2-CD 4.39Å; I68-K72 WeakPolarHBondContact O-CG 3.24Å; I68-K72 PolarHBondContact O-N 2.94Å |
| 69 | A | 83.5 | Confident | 84 | Confident | 52 Ų | 52 | 94.8 Ų | 94.8 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.8 | -50.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E65 A66 L71 K72 E73 | E65-A69 WeakPolarHBondContact O-CB 3.23Å; E65-A69 PolarHBondContact O-N 3.44Å; A66-A69 WeakPolarHBondContact O-CB 3.47Å; A66-A69 PolarHBondContact O-N 2.92Å; A69-L71 VanDerWaalsContact C-N 3.31Å; A69-L71 PolarHBondContact O-N 2.98Å; A69-K72 WeakPolarHBondContact O-CB 3Å; A69-K72 PolarHBondContact O-N 3.31Å; A69-K72 VanDerWaalsContact O-N 3.12Å; A69-E73 PolarHBondContact O-N 2.79Å |
| 70 | T | 84.1 | Confident | 84.3 | Confident | 85 Ų | 85 | 99.1 Ų | 99.1 | 52% | 0.521 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.2 | -33.9 | 179.2 | 54.4 | 0 | 0 | 0 | 0 | 112.9 | A66 A67 E73 A74 | A66-T70 PolarHBondContact O-N 3.33Å; A66-T70 VanDerWaalsContact O-N 3.07Å; A66-T70 PolarHBondContact O-OG1 3Å; A67-T70 PolarHBondContact O-OG1 3.45Å; T70-E73 PolarHBondContact O-N 3.47Å; T70-A74 WeakPolarHBondContact O-CB 3.35Å; T70-A74 PolarHBondContact O-N 3.04Å |
| 71 | L | 84.9 | Confident | 84.6 | Confident | 111 Ų | 111 | 99.3 Ų | 99.3 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.2 | -33.3 | 174.7 | -171.6 | 67.1 | 0 | 0 | 0 | 112.7 | A67 A69 H75 | A67-L71 WeakPolarHBondContact O-CB 3.23Å; A67-L71 PolarHBondContact O-N 3.4Å; A69-L71 VanDerWaalsContact C-N 3.31Å; A69-L71 PolarHBondContact O-N 2.98Å; L71-H75 PolarHBondContact O-N 3.08Å |
| 72 | K | 85.4 | Confident | 84.8 | Confident | 139 Ų | 139 | 100.5 Ų | 100.5 | 60% | 0.604 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.5 | -44.7 | 173.2 | -75 | 171 | 178.5 | 176.4 | 0 | 111.7 | I68 A69 H75 E76 | I68-K72 HydrophobicContact CG2-CD 4.39Å; I68-K72 WeakPolarHBondContact O-CG 3.24Å; I68-K72 PolarHBondContact O-N 2.94Å; A69-K72 WeakPolarHBondContact O-CB 3Å; A69-K72 PolarHBondContact O-N 3.31Å; A69-K72 VanDerWaalsContact O-N 3.12Å; K72-H75 PolarHBondContact O-N 2.93Å; K72-E76 WeakPolarHBondContact O-CB 3.27Å; K72-E76 PolarHBondContact O-N 3.43Å |
| 73 | E | 85.7 | Confident | 84.8 | Confident | 125 Ų | 125 | 100.6 Ų | 100.6 | 58% | 0.584 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.1 | -48.7 | 178.4 | -166.2 | 163.9 | -144.8 | 0 | 0 | 110.4 | A69 T70 H75 E76 E77 | A69-E73 PolarHBondContact O-N 2.79Å; T70-E73 PolarHBondContact O-N 3.47Å; E73-H75 PolarHBondContact O-N 2.95Å; E73-E76 PolarHBondContact O-N 2.98Å; E73-E76 VanDerWaalsContact O-N 3.13Å; E73-E77 WeakPolarHBondContact O-CG 3.35Å; E73-E77 PolarHBondContact O-N 3.41Å |
| 74 | A | 84.1 | Confident | 84.9 | Confident | 45 Ų | 45 | 98.2 Ų | 98.2 | 37% | 0.372 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.2 | -42.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T70 E76 E77 E78 | T70-A74 WeakPolarHBondContact O-CB 3.35Å; T70-A74 PolarHBondContact O-N 3.04Å; A74-E76 VanDerWaalsContact C-N 3.35Å; A74-E77 PolarHBondContact O-N 2.86Å; A74-E78 WeakPolarHBondContact O-CG 3.31Å; A74-E78 PolarHBondContact O-N 2.8Å |
| 75 | H | 85 | Confident | 85.1 | Confident | 108 Ų | 108 | 96.6 Ų | 96.6 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.1 | -31.8 | 175.3 | -91.1 | -40 | 0 | 0 | 0 | 113.2 | L71 K72 E73 E78 V79 | L71-H75 PolarHBondContact O-N 3.08Å; K72-H75 PolarHBondContact O-N 2.93Å; E73-H75 PolarHBondContact O-N 2.95Å; H75-E78 IonicContact CE1-OE2 3Å; H75-E78 PolarHBondContact CE1-OE2 3.34Å; H75-E78 IonicContact CG-OE2 2.66Å; H75-E78 IonicContact ND1-OE2 2.67Å; H75-E78 PolarHBondContact ND1-OE2 3.33Å; H75-V79 VanDerWaalsContact O-CG2 3.31Å; H75-V79 WeakPolarHBondContact O-CG2 3.25Å; H75-V79 PolarHBondContact O-N 3.25Å |
| 76 | E | 87.3 | Confident | 85.1 | Confident | 133 Ų | 133 | 94 Ų | 94 | 62% | 0.621 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -74 | -32.9 | 177 | -165.2 | 154.2 | -148.4 | 0 | 0 | 111.3 | K72 E73 A74 Q80 | K72-E76 WeakPolarHBondContact O-CB 3.27Å; K72-E76 PolarHBondContact O-N 3.43Å; E73-E76 PolarHBondContact O-N 2.98Å; E73-E76 VanDerWaalsContact O-N 3.13Å; A74-E76 VanDerWaalsContact C-N 3.35Å; E76-Q80 WeakPolarHBondContact O-CG 3.19Å; E76-Q80 PolarHBondContact O-N 3.01Å; E76-Q80 VanDerWaalsContact O-N 3.12Å |
| 77 | E | 86.1 | Confident | 85.1 | Confident | 134 Ų | 134 | 100.1 Ų | 100.1 | 63% | 0.626 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.7 | -48.8 | 166.7 | -69.9 | -176.3 | 148.5 | 0 | 0 | 112.2 | E73 A74 V79 Q80 Q81 | E73-E77 WeakPolarHBondContact O-CG 3.35Å; E73-E77 PolarHBondContact O-N 3.41Å; A74-E77 PolarHBondContact O-N 2.86Å; E77-V79 VanDerWaalsContact C-N 3.32Å; E77-V79 PolarHBondContact O-N 3.46Å; E77-Q80 PolarHBondContact O-N 3.47Å; E77-Q80 VanDerWaalsContact O-N 3.15Å; E77-Q81 PolarHBondContact O-N 3.36Å |
| 78 | E | 85.5 | Confident | 85.3 | Confident | 107 Ų | 107 | 103 Ų | 103 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -54.9 | -45.6 | 175.5 | -77.5 | -179.8 | 159.7 | 0 | 0 | 112 | A74 H75 Q80 Q81 I82 | A74-E78 WeakPolarHBondContact O-CG 3.31Å; A74-E78 PolarHBondContact O-N 2.8Å; H75-E78 IonicContact CE1-OE2 3Å; H75-E78 PolarHBondContact CE1-OE2 3.34Å; H75-E78 IonicContact CG-OE2 2.66Å; H75-E78 IonicContact ND1-OE2 2.67Å; H75-E78 PolarHBondContact ND1-OE2 3.33Å; E78-Q80 PolarHBondContact O-N 2.96Å; E78-Q81 PolarHBondContact O-N 3.43Å; E78-I82 WeakPolarHBondContact O-CG1 3.28Å; E78-I82 PolarHBondContact O-N 2.89Å |
| 79 | V | 86.1 | Confident | 85.5 | Confident | 83 Ų | 83 | 103.1 Ų | 103.1 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 178.6 | 168.6 | 0 | 0 | 0 | 0 | 111.5 | H75 E77 I82 L83 | H75-V79 VanDerWaalsContact O-CG2 3.31Å; H75-V79 WeakPolarHBondContact O-CG2 3.25Å; H75-V79 PolarHBondContact O-N 3.25Å; E77-V79 VanDerWaalsContact C-N 3.32Å; E77-V79 PolarHBondContact O-N 3.46Å; V79-I82 PolarHBondContact O-N 3.31Å; V79-L83 HydrophobicContact CG1-CD1 4.11Å; V79-L83 VanDerWaalsContact O-CG 3.31Å; V79-L83 WeakPolarHBondContact O-CG 3.5Å; V79-L83 PolarHBondContact O-N 2.75Å; V79-L83 VanDerWaalsContact O-N 3.09Å |
| 80 | Q | 86 | Confident | 85.5 | Confident | 133 Ų | 133 | 105.2 Ų | 105.2 | 62% | 0.621 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.5 | -37.7 | 175.2 | -73.9 | -167 | 55.4 | 0 | 0 | 112.5 | E76 E77 E78 L83 S84 | E76-Q80 WeakPolarHBondContact O-CG 3.19Å; E76-Q80 PolarHBondContact O-N 3.01Å; E76-Q80 VanDerWaalsContact O-N 3.12Å; E77-Q80 PolarHBondContact O-N 3.47Å; E77-Q80 VanDerWaalsContact O-N 3.15Å; E78-Q80 PolarHBondContact O-N 2.96Å; Q80-L83 PolarHBondContact O-N 3.2Å; Q80-S84 PolarHBondContact O-N 2.96Å; Q80-S84 PolarHBondContact O-OG 3.43Å |
| 81 | Q | 87.2 | Confident | 85.6 | Confident | 119 Ų | 119 | 106.9 Ų | 106.9 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.1 | -46.1 | 173.5 | -177.8 | 177.8 | -29.8 | 0 | 0 | 111.8 | E77 E78 L83 S84 E85 | E77-Q81 PolarHBondContact O-N 3.36Å; E78-Q81 PolarHBondContact O-N 3.43Å; Q81-L83 VanDerWaalsContact C-N 3.25Å; Q81-L83 PolarHBondContact O-N 2.79Å; Q81-S84 PolarHBondContact O-N 3.46Å; Q81-S84 PolarHBondContact O-OG 2.8Å; Q81-E85 HydrophobicContact CG-CG 4.37Å; Q81-E85 PolarHBondContact NE2-OE1 3.37Å; Q81-E85 WeakPolarHBondContact O-CB 3.23Å; Q81-E85 WeakPolarHBondContact O-CG 3.43Å; Q81-E85 PolarHBondContact O-N 2.66Å |
| 82 | I | 86.4 | Confident | 85.6 | Confident | 103 Ų | 103 | 106 Ų | 106 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.6 | -39 | 177.6 | -68.8 | 164.7 | 0 | 0 | 0 | 110.9 | E78 V79 T86 | E78-I82 WeakPolarHBondContact O-CG1 3.28Å; E78-I82 PolarHBondContact O-N 2.89Å; V79-I82 PolarHBondContact O-N 3.31Å; I82-T86 VanDerWaalsContact O-CB 3.29Å; I82-T86 WeakPolarHBondContact O-CB 3.43Å; I82-T86 PolarHBondContact O-N 3.37Å; I82-T86 PolarHBondContact O-OG1 2.94Å |
| 83 | L | 84.1 | Confident | 85.6 | Confident | 94 Ų | 94 | 105.6 Ų | 105.6 | 49% | 0.492 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.3 | -36.1 | 178.6 | -72.9 | 172.2 | 0 | 0 | 0 | 113.6 | V79 Q80 Q81 R87 | V79-L83 HydrophobicContact CG1-CD1 4.11Å; V79-L83 VanDerWaalsContact O-CG 3.31Å; V79-L83 WeakPolarHBondContact O-CG 3.5Å; V79-L83 PolarHBondContact O-N 2.75Å; V79-L83 VanDerWaalsContact O-N 3.09Å; Q80-L83 PolarHBondContact O-N 3.2Å; Q81-L83 VanDerWaalsContact C-N 3.25Å; Q81-L83 PolarHBondContact O-N 2.79Å; L83-R87 WeakPolarHBondContact O-CG 3.41Å; L83-R87 PolarHBondContact O-N 3.12Å |
| 84 | S | 84.8 | Confident | 85.5 | Confident | 68 Ų | 68 | 106.8 Ų | 106.8 | 48% | 0.476 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.7 | -49.6 | 175.6 | 62.8 | 0 | 0 | 0 | 0 | 111 | Q80 Q81 T86 R87 E88 | Q80-S84 PolarHBondContact O-N 2.96Å; Q80-S84 PolarHBondContact O-OG 3.43Å; Q81-S84 PolarHBondContact O-N 3.46Å; Q81-S84 PolarHBondContact O-OG 2.8Å; S84-T86 VanDerWaalsContact C-N 3.25Å; S84-T86 PolarHBondContact O-N 3.38Å; S84-R87 PolarHBondContact O-N 2.77Å; S84-R87 VanDerWaalsContact O-N 3.13Å; S84-E88 PolarHBondContact O-N 3.09Å |
| 85 | E | 86.6 | Confident | 85.6 | Confident | 67 Ų | 67 | 107.9 Ų | 107.9 | 31% | 0.313 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -54.6 | -40.6 | 174.7 | -77.4 | -171.4 | -145.3 | 0 | 0 | 112.4 | Q81 E88 K89 | Q81-E85 HydrophobicContact CG-CG 4.37Å; Q81-E85 PolarHBondContact NE2-OE1 3.37Å; Q81-E85 WeakPolarHBondContact O-CB 3.23Å; Q81-E85 WeakPolarHBondContact O-CG 3.43Å; Q81-E85 PolarHBondContact O-N 2.66Å; E85-E88 PolarHBondContact O-N 2.96Å; E85-K89 WeakPolarHBondContact O-CB 3.43Å; E85-K89 VanDerWaalsContact O-CD 3.29Å; E85-K89 WeakPolarHBondContact O-CD 3.38Å; E85-K89 WeakPolarHBondContact O-CG 3.21Å; E85-K89 PolarHBondContact O-N 2.9Å; E85-K89 IonicContact OE2-NZ 2.75Å; E85-K89 PolarHBondContact OE2-NZ 2.86Å |
| 86 | T | 84.1 | Confident | 85.6 | Confident | 66 Ų | 66 | 108.4 Ų | 108.4 | 41% | 0.405 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.9 | -39.8 | -179.8 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | I82 S84 I90 | I82-T86 VanDerWaalsContact O-CB 3.29Å; I82-T86 WeakPolarHBondContact O-CB 3.43Å; I82-T86 PolarHBondContact O-N 3.37Å; I82-T86 PolarHBondContact O-OG1 2.94Å; S84-T86 VanDerWaalsContact C-N 3.25Å; S84-T86 PolarHBondContact O-N 3.38Å; T86-I90 HydrophobicContact CG2-CD1 4.32Å; T86-I90 WeakPolarHBondContact O-CG1 3.49Å; T86-I90 PolarHBondContact O-N 2.82Å |
| 87 | R | 85 | Confident | 85.4 | Confident | 183 Ų | 183 | 107.1 Ų | 107.1 | 69% | 0.691 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.1 | -40.5 | 175 | -73.4 | 174.1 | -179.8 | -179.5 | 3 | 111.8 | L83 S84 I90 L91 | L83-R87 WeakPolarHBondContact O-CG 3.41Å; L83-R87 PolarHBondContact O-N 3.12Å; S84-R87 PolarHBondContact O-N 2.77Å; S84-R87 VanDerWaalsContact O-N 3.13Å; R87-I90 PolarHBondContact O-N 3.29Å; R87-L91 PolarHBondContact O-N 2.78Å |
| 88 | E | 86.4 | Confident | 85.3 | Confident | 116 Ų | 116 | 103.9 Ų | 103.9 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.8 | -47.3 | 178.4 | -169.2 | 175.9 | -173.6 | 0 | 0 | 111.6 | S84 E85 I90 L91 Q92 | S84-E88 PolarHBondContact O-N 3.09Å; E85-E88 PolarHBondContact O-N 2.96Å; E88-I90 VanDerWaalsContact C-N 3.27Å; E88-I90 PolarHBondContact O-N 3.25Å; E88-L91 PolarHBondContact O-N 3.05Å; E88-Q92 WeakPolarHBondContact O-CG 3.46Å; E88-Q92 PolarHBondContact O-N 2.9Å |
| 89 | K | 87.8 | Confident | 85.4 | Confident | 95 Ų | 95 | 102.4 Ų | 102.4 | 41% | 0.413 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -54.7 | -41.5 | 174.8 | -70.9 | 159.9 | -165.9 | 167.1 | 0 | 111.7 | E85 Q92 F93 | E85-K89 WeakPolarHBondContact O-CB 3.43Å; E85-K89 VanDerWaalsContact O-CD 3.29Å; E85-K89 WeakPolarHBondContact O-CD 3.38Å; E85-K89 WeakPolarHBondContact O-CG 3.21Å; E85-K89 PolarHBondContact O-N 2.9Å; E85-K89 IonicContact OE2-NZ 2.75Å; E85-K89 PolarHBondContact OE2-NZ 2.86Å; K89-Q92 PolarHBondContact O-N 2.73Å; K89-F93 WeakPolarHBondContact O-CD2 3.46Å; K89-F93 PolarHBondContact O-N 3.43Å; K89-F93 VanDerWaalsContact O-N 3.13Å |
| 90 | I | 83.3 | Confident | 85.3 | Confident | 96 Ų | 96 | 103.5 Ų | 103.5 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 176.4 | -69.9 | 165.9 | 0 | 0 | 0 | 112.5 | T86 R87 E88 F93 K94 | T86-I90 HydrophobicContact CG2-CD1 4.32Å; T86-I90 WeakPolarHBondContact O-CG1 3.49Å; T86-I90 PolarHBondContact O-N 2.82Å; R87-I90 PolarHBondContact O-N 3.29Å; E88-I90 VanDerWaalsContact C-N 3.27Å; E88-I90 PolarHBondContact O-N 3.25Å; I90-F93 PolarHBondContact O-N 3.17Å; I90-K94 PolarHBondContact O-N 3.49Å |
| 91 | L | 85.4 | Confident | 85.3 | Confident | 120 Ų | 120 | 102.3 Ų | 102.3 | 63% | 0.628 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.5 | -41.2 | 177.7 | -72 | 169.4 | 0 | 0 | 0 | 111.7 | R87 E88 F93 K94 S95 | R87-L91 PolarHBondContact O-N 2.78Å; E88-L91 PolarHBondContact O-N 3.05Å; L91-F93 VanDerWaalsContact C-N 3.31Å; L91-F93 PolarHBondContact O-N 3.06Å; L91-K94 PolarHBondContact O-N 2.97Å; L91-K94 VanDerWaalsContact O-N 3.17Å; L91-S95 PolarHBondContact O-N 3Å; L91-S95 VanDerWaalsContact O-N 3.11Å |
| 92 | Q | 84.7 | Confident | 85.2 | Confident | 91 Ų | 91 | 100.6 Ų | 100.6 | 43% | 0.425 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.8 | -40 | 174.8 | -67.5 | 177.8 | 11.6 | 0 | 0 | 112.2 | E88 K89 S95 K96 | E88-Q92 WeakPolarHBondContact O-CG 3.46Å; E88-Q92 PolarHBondContact O-N 2.9Å; K89-Q92 PolarHBondContact O-N 2.73Å; Q92-S95 PolarHBondContact O-N 3.18Å; Q92-K96 WeakPolarHBondContact O-CG 3.44Å; Q92-K96 PolarHBondContact O-N 2.79Å |
| 93 | F | 85.3 | Confident | 85.3 | Confident | 132 Ų | 132 | 101 Ų | 101 | 58% | 0.579 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.1 | -39 | 175.2 | -74 | -59.4 | 0 | 0 | 0 | 113 | K89 I90 L91 S95 K96 I97 | K89-F93 WeakPolarHBondContact O-CD2 3.46Å; K89-F93 PolarHBondContact O-N 3.43Å; K89-F93 VanDerWaalsContact O-N 3.13Å; I90-F93 PolarHBondContact O-N 3.17Å; L91-F93 VanDerWaalsContact C-N 3.31Å; L91-F93 PolarHBondContact O-N 3.06Å; F93-S95 VanDerWaalsContact C-N 3.35Å; F93-S95 PolarHBondContact O-N 3.14Å; F93-K96 PolarHBondContact O-N 2.83Å; F93-I97 WeakPolarHBondContact O-CG1 3.4Å; F93-I97 PolarHBondContact O-N 3Å |
| 94 | K | 83.6 | Confident | 85.3 | Confident | 149 Ų | 149 | 101.9 Ų | 101.9 | 65% | 0.648 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.1 | -38.8 | 175.7 | -77.6 | -171.6 | 173.5 | -174.5 | 0 | 112.8 | I90 L91 S98 | I90-K94 PolarHBondContact O-N 3.49Å; L91-K94 PolarHBondContact O-N 2.97Å; L91-K94 VanDerWaalsContact O-N 3.17Å; K94-S98 PolarHBondContact O-N 2.93Å |
| 95 | S | 86.1 | Confident | 85.4 | Confident | 69 Ų | 69 | 104.1 Ų | 104.1 | 48% | 0.483 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -48.8 | 176.1 | -160.1 | 0 | 0 | 0 | 0 | 111.5 | L91 Q92 F93 I97 S98 D99 | L91-S95 PolarHBondContact O-N 3Å; L91-S95 VanDerWaalsContact O-N 3.11Å; Q92-S95 PolarHBondContact O-N 3.18Å; F93-S95 VanDerWaalsContact C-N 3.35Å; F93-S95 PolarHBondContact O-N 3.14Å; S95-I97 VanDerWaalsContact C-N 3.26Å; S95-I97 PolarHBondContact O-N 2.97Å; S95-S98 WeakPolarHBondContact O-CB 3.38Å; S95-S98 PolarHBondContact O-N 2.85Å; S95-D99 PolarHBondContact O-N 2.96Å; S95-D99 VanDerWaalsContact O-N 3.09Å |
| 96 | K | 85.8 | Confident | 85.4 | Confident | 118 Ų | 118 | 108.5 Ų | 108.5 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.1 | -35.9 | -179.1 | -70.7 | 168.7 | -177.3 | 174.7 | 0 | 113.2 | Q92 F93 S98 D99 E100 | Q92-K96 WeakPolarHBondContact O-CG 3.44Å; Q92-K96 PolarHBondContact O-N 2.79Å; F93-K96 PolarHBondContact O-N 2.83Å; K96-S98 VanDerWaalsContact C-N 3.34Å; K96-D99 PolarHBondContact O-N 3.1Å; K96-E100 PolarHBondContact O-N 2.78Å; K96-E100 VanDerWaalsContact O-N 3.1Å |
| 97 | I | 83.9 | Confident | 85.4 | Confident | 107 Ų | 107 | 109.6 Ų | 109.6 | 55% | 0.549 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.3 | -35.5 | 176 | -67.6 | 165.8 | 0 | 0 | 0 | 111.5 | F93 S95 M101 | F93-I97 WeakPolarHBondContact O-CG1 3.4Å; F93-I97 PolarHBondContact O-N 3Å; S95-I97 VanDerWaalsContact C-N 3.26Å; S95-I97 PolarHBondContact O-N 2.97Å; I97-M101 WeakPolarHBondContact O-CG 3.48Å; I97-M101 PolarHBondContact O-N 2.85Å |
| 98 | S | 84.3 | Confident | 85.4 | Confident | 65 Ų | 65 | 106.1 Ų | 106.1 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.4 | -45 | 175.4 | -159.7 | 0 | 0 | 0 | 0 | 111.4 | K94 S95 K96 E100 M101 D102 | K94-S98 PolarHBondContact O-N 2.93Å; S95-S98 WeakPolarHBondContact O-CB 3.38Å; S95-S98 PolarHBondContact O-N 2.85Å; K96-S98 VanDerWaalsContact C-N 3.34Å; S98-E100 VanDerWaalsContact C-N 3.29Å; S98-E100 PolarHBondContact O-N 3.43Å; S98-M101 PolarHBondContact O-N 2.89Å; S98-D102 PolarHBondContact O-N 2.66Å |
| 99 | D | 86.6 | Confident | 85.3 | Confident | 77 Ų | 77 | 103.2 Ų | 103.2 | 41% | 0.412 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.9 | -41.4 | 178.2 | -63.9 | -16.1 | 0 | 0 | 0 | 111.5 | S95 K96 M101 D102 L103 | S95-D99 PolarHBondContact O-N 2.96Å; S95-D99 VanDerWaalsContact O-N 3.09Å; K96-D99 PolarHBondContact O-N 3.1Å; D99-M101 VanDerWaalsContact C-N 3.34Å; D99-M101 PolarHBondContact O-N 3.15Å; D99-D102 PolarHBondContact O-N 3.01Å; D99-L103 WeakPolarHBondContact O-CB 3.49Å; D99-L103 WeakPolarHBondContact O-CG 2.98Å; D99-L103 PolarHBondContact O-N 2.87Å |
| 100 | E | 84.6 | Confident | 85.2 | Confident | 105 Ų | 105 | 102.8 Ų | 102.8 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.8 | -39.2 | 173.6 | -90.9 | -161.9 | -151.9 | 0 | 0 | 113.5 | K96 S98 K104 | K96-E100 PolarHBondContact O-N 2.78Å; K96-E100 VanDerWaalsContact O-N 3.1Å; S98-E100 VanDerWaalsContact C-N 3.29Å; S98-E100 PolarHBondContact O-N 3.43Å; E100-K104 WeakPolarHBondContact O-CD 3.3Å; E100-K104 VanDerWaalsContact O-CG 3.3Å; E100-K104 WeakPolarHBondContact O-CG 3.27Å; E100-K104 PolarHBondContact O-N 3.38Å; E100-K104 IonicContact OE2-NZ 3.5Å; E100-K104 PolarHBondContact OE2-NZ 3.48Å |
| 101 | M | 84.8 | Confident | 85.3 | Confident | 109 Ų | 109 | 103.4 Ų | 103.4 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.6 | -36.2 | -177.7 | -74.2 | -174.7 | 67.5 | 0 | 0 | 112.1 | I97 S98 D99 K105 | I97-M101 WeakPolarHBondContact O-CG 3.48Å; I97-M101 PolarHBondContact O-N 2.85Å; S98-M101 PolarHBondContact O-N 2.89Å; D99-M101 VanDerWaalsContact C-N 3.34Å; D99-M101 PolarHBondContact O-N 3.15Å; M101-K105 WeakPolarHBondContact O-CG 3.38Å; M101-K105 PolarHBondContact O-N 3.17Å |
| 102 | D | 85.9 | Confident | 85.4 | Confident | 83 Ų | 83 | 103.5 Ų | 103.5 | 44% | 0.444 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -81.2 | -30.8 | 178.2 | -70.7 | -35.4 | 0 | 0 | 0 | 112.6 | S98 D99 K104 K105 R106 | S98-D102 PolarHBondContact O-N 2.66Å; D99-D102 PolarHBondContact O-N 3.01Å; D102-K104 VanDerWaalsContact C-N 3.35Å; D102-K105 PolarHBondContact O-N 2.92Å; D102-K105 WeakPolarHBondContact OD1-CD 3.4Å; D102-K105 WeakPolarHBondContact OD1-CE 3.11Å; D102-K105 IonicContact OD1-NZ 2.86Å; D102-K105 PolarHBondContact OD1-NZ 3.27Å; D102-R106 PolarHBondContact O-N 3.47Å |
| 103 | L | 87.3 | Confident | 85.3 | Confident | 111 Ų | 111 | 102 Ų | 102 | 58% | 0.581 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59 | -44.5 | 166.5 | -78.2 | 168.2 | 0 | 0 | 0 | 111.8 | D99 K105 R106 I107 | D99-L103 WeakPolarHBondContact O-CB 3.49Å; D99-L103 WeakPolarHBondContact O-CG 2.98Å; D99-L103 PolarHBondContact O-N 2.87Å; L103-K105 PolarHBondContact O-N 2.84Å; L103-R106 PolarHBondContact O-N 2.95Å; L103-R106 VanDerWaalsContact O-N 3.14Å; L103-I107 WeakPolarHBondContact O-CG1 3.44Å; L103-I107 PolarHBondContact O-N 2.85Å |
| 104 | K | 84.6 | Confident | 85.3 | Confident | 113 Ų | 113 | 102.1 Ų | 102.1 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 177.1 | -76.5 | 160 | -179.5 | 156.8 | 0 | 112.2 | E100 D102 R106 I107 Q108 | E100-K104 WeakPolarHBondContact O-CD 3.3Å; E100-K104 VanDerWaalsContact O-CG 3.3Å; E100-K104 WeakPolarHBondContact O-CG 3.27Å; E100-K104 PolarHBondContact O-N 3.38Å; E100-K104 IonicContact OE2-NZ 3.5Å; E100-K104 PolarHBondContact OE2-NZ 3.48Å; D102-K104 VanDerWaalsContact C-N 3.35Å; K104-R106 VanDerWaalsContact C-N 3.33Å; K104-R106 PolarHBondContact O-N 3.48Å; K104-I107 PolarHBondContact O-N 3.44Å; K104-Q108 WeakPolarHBondContact O-CG 3.04Å; K104-Q108 PolarHBondContact O-N 2.75Å; K104-Q108 VanDerWaalsContact O-N 3.11Å |
| 105 | K | 86.6 | Confident | 85.4 | Confident | 114 Ų | 114 | 99.5 Ų | 99.5 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 173.8 | -63.8 | 167.7 | -161.5 | 164.1 | 0 | 112.5 | M101 D102 L103 Q108 S109 | M101-K105 WeakPolarHBondContact O-CG 3.38Å; M101-K105 PolarHBondContact O-N 3.17Å; D102-K105 PolarHBondContact O-N 2.92Å; D102-K105 WeakPolarHBondContact OD1-CD 3.4Å; D102-K105 WeakPolarHBondContact OD1-CE 3.11Å; D102-K105 IonicContact OD1-NZ 2.86Å; D102-K105 PolarHBondContact OD1-NZ 3.27Å; L103-K105 PolarHBondContact O-N 2.84Å; K105-Q108 PolarHBondContact O-N 2.77Å; K105-S109 PolarHBondContact O-N 3.44Å; K105-S109 VanDerWaalsContact O-N 3.09Å |
| 106 | R | 88.1 | Confident | 85.5 | Confident | 160 Ų | 160 | 101 Ų | 101 | 60% | 0.604 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70.3 | -33.6 | -179.5 | -172.2 | 57 | 175.7 | -177 | 3.1 | 112.3 | D102 L103 K104 L110 | D102-R106 PolarHBondContact O-N 3.47Å; L103-R106 PolarHBondContact O-N 2.95Å; L103-R106 VanDerWaalsContact O-N 3.14Å; K104-R106 VanDerWaalsContact C-N 3.33Å; K104-R106 PolarHBondContact O-N 3.48Å; R106-L110 WeakPolarHBondContact O-CG 3.03Å; R106-L110 PolarHBondContact O-N 3.29Å |
| 107 | I | 82.5 | Confident | 85.5 | Confident | 88 Ų | 88 | 102 Ų | 102 | 45% | 0.451 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -52 | 171.9 | -70.2 | 164.5 | 0 | 0 | 0 | 109.8 | L103 K104 S109 L110 E111 | L103-I107 WeakPolarHBondContact O-CG1 3.44Å; L103-I107 PolarHBondContact O-N 2.85Å; K104-I107 PolarHBondContact O-N 3.44Å; I107-S109 VanDerWaalsContact C-N 3.34Å; I107-S109 PolarHBondContact O-N 3.46Å; I107-L110 WeakPolarHBondContact O-CA 3.39Å; I107-L110 WeakPolarHBondContact O-CB 3.12Å; I107-L110 PolarHBondContact O-N 3.39Å; I107-E111 HydrophobicContact CG2-CG 4.19Å; I107-E111 WeakPolarHBondContact CG2-OE1 3.28Å; I107-E111 WeakPolarHBondContact O-CG 2.9Å; I107-E111 PolarHBondContact O-N 2.83Å |
| 108 | Q | 84.9 | Confident | 85.4 | Confident | 111 Ų | 111 | 101.4 Ų | 101.4 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -54.6 | -46.1 | 178.1 | -69.8 | -178.7 | -62.3 | 0 | 0 | 112.8 | K104 K105 L110 E111 E112 | K104-Q108 WeakPolarHBondContact O-CG 3.04Å; K104-Q108 PolarHBondContact O-N 2.75Å; K104-Q108 VanDerWaalsContact O-N 3.11Å; K105-Q108 PolarHBondContact O-N 2.77Å; Q108-L110 VanDerWaalsContact C-N 3.26Å; Q108-L110 PolarHBondContact O-N 3.02Å; Q108-E111 WeakPolarHBondContact CA-OE2 3.12Å; Q108-E111 PolarHBondContact O-N 3.19Å; Q108-E112 WeakPolarHBondContact O-CB 3.34Å; Q108-E112 VanDerWaalsContact O-CG 3.31Å; Q108-E112 WeakPolarHBondContact O-CG 3.42Å; Q108-E112 PolarHBondContact O-N 2.88Å |
| 109 | S | 85.8 | Confident | 85.5 | Confident | 55 Ų | 55 | 104.6 Ų | 104.6 | 39% | 0.385 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -27.3 | 177.4 | 173.7 | 0 | 0 | 0 | 0 | 113.8 | K105 I107 S113 | K105-S109 PolarHBondContact O-N 3.44Å; K105-S109 VanDerWaalsContact O-N 3.09Å; I107-S109 VanDerWaalsContact C-N 3.34Å; I107-S109 PolarHBondContact O-N 3.46Å; S109-S113 WeakPolarHBondContact O-CB 3.35Å; S109-S113 PolarHBondContact O-N 2.83Å |
| 110 | L | 84.9 | Confident | 85.5 | Confident | 86 Ų | 86 | 106.5 Ų | 106.5 | 45% | 0.45 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -78.9 | -41.6 | 173.5 | -72.8 | 168.8 | 0 | 0 | 0 | 111.2 | R106 I107 Q108 S113 M114 | R106-L110 WeakPolarHBondContact O-CG 3.03Å; R106-L110 PolarHBondContact O-N 3.29Å; I107-L110 WeakPolarHBondContact O-CA 3.39Å; I107-L110 WeakPolarHBondContact O-CB 3.12Å; I107-L110 PolarHBondContact O-N 3.39Å; Q108-L110 VanDerWaalsContact C-N 3.26Å; Q108-L110 PolarHBondContact O-N 3.02Å; L110-S113 PolarHBondContact O-N 3.22Å; L110-S113 PolarHBondContact O-OG 3Å; L110-M114 PolarHBondContact O-N 2.86Å |
| 111 | E | 85.5 | Confident | 85.6 | Confident | 108 Ų | 108 | 108 Ų | 108 | 51% | 0.505 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.9 | -50.5 | 174.1 | -68.5 | 168.5 | 152.1 | 0 | 0 | 110.8 | I107 Q108 S113 M114 E115 | I107-E111 HydrophobicContact CG2-CG 4.19Å; I107-E111 WeakPolarHBondContact CG2-OE1 3.28Å; I107-E111 WeakPolarHBondContact O-CG 2.9Å; I107-E111 PolarHBondContact O-N 2.83Å; Q108-E111 WeakPolarHBondContact CA-OE2 3.12Å; Q108-E111 PolarHBondContact O-N 3.19Å; E111-S113 VanDerWaalsContact C-N 3.29Å; E111-S113 PolarHBondContact O-N 3.44Å; E111-M114 PolarHBondContact O-N 3.3Å; E111-M114 VanDerWaalsContact O-N 3.12Å; E111-E115 WeakPolarHBondContact O-CG 3.47Å; E111-E115 PolarHBondContact O-N 2.82Å |
| 112 | E | 86.6 | Confident | 85.7 | Confident | 123 Ų | 123 | 109.8 Ų | 109.8 | 58% | 0.575 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -54.3 | -42.2 | 173.4 | -72.7 | 170 | 175.5 | 0 | 0 | 112.5 | Q108 L116 | Q108-E112 WeakPolarHBondContact O-CB 3.34Å; Q108-E112 VanDerWaalsContact O-CG 3.31Å; Q108-E112 WeakPolarHBondContact O-CG 3.42Å; Q108-E112 PolarHBondContact O-N 2.88Å; E112-L116 WeakPolarHBondContact O-CB 3.15Å; E112-L116 PolarHBondContact O-N 2.95Å |
| 113 | S | 84.3 | Confident | 85.7 | Confident | 60 Ų | 60 | 111.2 Ų | 111.2 | 42% | 0.42 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.2 | -34.6 | 178.9 | 78.4 | 0 | 0 | 0 | 0 | 112.9 | S109 L110 E111 H117 | S109-S113 WeakPolarHBondContact O-CB 3.35Å; S109-S113 PolarHBondContact O-N 2.83Å; L110-S113 PolarHBondContact O-N 3.22Å; L110-S113 PolarHBondContact O-OG 3Å; E111-S113 VanDerWaalsContact C-N 3.29Å; E111-S113 PolarHBondContact O-N 3.44Å; S113-H117 PolarHBondContact O-N 3.02Å |
| 114 | M | 84.3 | Confident | 85.6 | Confident | 134 Ų | 134 | 108.6 Ų | 108.6 | 66% | 0.66 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.1 | -45.3 | 174 | -78.6 | -176.2 | 56.1 | 0 | 0 | 111.1 | L110 E111 L116 H117 E118 | L110-M114 PolarHBondContact O-N 2.86Å; E111-M114 PolarHBondContact O-N 3.3Å; E111-M114 VanDerWaalsContact O-N 3.12Å; M114-L116 VanDerWaalsContact C-N 3.28Å; M114-L116 PolarHBondContact O-N 3.36Å; M114-H117 PolarHBondContact O-N 3.36Å; M114-E118 WeakPolarHBondContact O-CG 3.45Å; M114-E118 PolarHBondContact O-N 2.82Å |
| 115 | E | 86.8 | Confident | 85.6 | Confident | 94 Ų | 94 | 107.5 Ų | 107.5 | 44% | 0.439 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.1 | -41.5 | 174.2 | -68.1 | -166.8 | 152 | 0 | 0 | 111.6 | E111 E118 R119 | E111-E115 WeakPolarHBondContact O-CG 3.47Å; E111-E115 PolarHBondContact O-N 2.82Å; E115-E118 PolarHBondContact O-N 2.82Å; E115-R119 VanDerWaalsContact CB-NH1 3.26Å; E115-R119 WeakPolarHBondContact O-CB 3.11Å; E115-R119 WeakPolarHBondContact O-CG 3.49Å; E115-R119 PolarHBondContact O-N 2.7Å; E115-R119 IonicContact OE1-NH2 2.68Å; E115-R119 IonicContact OE2-CZ 2.66Å; E115-R119 IonicContact OE2-NH1 3.43Å; E115-R119 PolarHBondContact OE2-NH1 3.2Å; E115-R119 IonicContact OE2-NH2 2.66Å; E115-R119 PolarHBondContact OE2-NH2 2.74Å |
| 116 | L | 87 | Confident | 85.7 | Confident | 100 Ų | 100 | 104.5 Ų | 104.5 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 176.1 | -177.2 | 62.5 | 0 | 0 | 0 | 111.4 | E112 M114 E118 R119 M120 | E112-L116 WeakPolarHBondContact O-CB 3.15Å; E112-L116 PolarHBondContact O-N 2.95Å; M114-L116 VanDerWaalsContact C-N 3.28Å; M114-L116 PolarHBondContact O-N 3.36Å; L116-E118 VanDerWaalsContact C-N 3.34Å; L116-E118 PolarHBondContact O-N 3.3Å; L116-R119 WeakPolarHBondContact O-CB 3.41Å; L116-R119 PolarHBondContact O-N 3.11Å; L116-M120 HydrophobicContact CG-SD 4.48Å; L116-M120 WeakPolarHBondContact O-CG 3.26Å; L116-M120 PolarHBondContact O-N 3.11Å |
| 117 | H | 86.1 | Confident | 85.7 | Confident | 138 Ų | 138 | 101.8 Ų | 101.8 | 64% | 0.639 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.3 | -35 | 177.9 | -161.8 | -29.6 | 0 | 0 | 0 | 112.2 | S113 M114 K121 | S113-H117 PolarHBondContact O-N 3.02Å; M114-H117 PolarHBondContact O-N 3.36Å; H117-K121 WeakPolarHBondContact O-CB 3.49Å; H117-K121 PolarHBondContact O-N 2.83Å |
| 118 | E | 81.6 | Confident | 86 | Confident | 96 Ų | 96 | 103.9 Ų | 103.9 | 45% | 0.449 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.8 | -40.7 | 171.2 | -69.5 | -153.6 | 137.1 | 0 | 0 | 112.5 | M114 E115 L116 K121 R122 | M114-E118 WeakPolarHBondContact O-CG 3.45Å; M114-E118 PolarHBondContact O-N 2.82Å; E115-E118 PolarHBondContact O-N 2.82Å; L116-E118 VanDerWaalsContact C-N 3.34Å; L116-E118 PolarHBondContact O-N 3.3Å; E118-K121 PolarHBondContact O-N 2.73Å; E118-R122 VanDerWaalsContact CB-NH1 3.29Å; E118-R122 WeakPolarHBondContact O-CB 2.89Å; E118-R122 WeakPolarHBondContact O-CG 3.06Å; E118-R122 PolarHBondContact O-N 2.7Å; E118-R122 IonicContact OE1-NH2 3.46Å; E118-R122 IonicContact OE2-CZ 3.17Å; E118-R122 IonicContact OE2-NH1 2.77Å; E118-R122 PolarHBondContact OE2-NH1 2.9Å; E118-R122 IonicContact OE2-NH2 3.87Å; E118-R122 PolarHBondContact OE2-NH2 2.84Å |
| 119 | R | 87.7 | Confident | 86 | Confident | 132 Ų | 132 | 104 Ų | 104 | 50% | 0.498 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 174.6 | -75.6 | 165.9 | -176.3 | 126.5 | 9.6 | 110.3 | E115 L116 K121 R122 Q123 | E115-R119 VanDerWaalsContact CB-NH1 3.26Å; E115-R119 WeakPolarHBondContact O-CB 3.11Å; E115-R119 WeakPolarHBondContact O-CG 3.49Å; E115-R119 PolarHBondContact O-N 2.7Å; E115-R119 IonicContact OE1-NH2 2.68Å; E115-R119 IonicContact OE2-CZ 2.66Å; E115-R119 IonicContact OE2-NH1 3.43Å; E115-R119 PolarHBondContact OE2-NH1 3.2Å; E115-R119 IonicContact OE2-NH2 2.66Å; E115-R119 PolarHBondContact OE2-NH2 2.74Å; L116-R119 WeakPolarHBondContact O-CB 3.41Å; L116-R119 PolarHBondContact O-N 3.11Å; R119-K121 VanDerWaalsContact C-N 3.34Å; R119-K121 PolarHBondContact O-N 3.45Å; R119-R122 PolarHBondContact O-N 2.73Å; R119-Q123 WeakPolarHBondContact O-CB 3.18Å; R119-Q123 PolarHBondContact O-N 2.81Å |
| 120 | M | 85.7 | Confident | 86 | Confident | 116 Ų | 116 | 103.7 Ų | 103.7 | 57% | 0.571 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.7 | -40 | 174.4 | -69 | 178.6 | 73.6 | 0 | 0 | 112.3 | L116 Q123 A124 | L116-M120 HydrophobicContact CG-SD 4.48Å; L116-M120 WeakPolarHBondContact O-CG 3.26Å; L116-M120 PolarHBondContact O-N 3.11Å; M120-Q123 PolarHBondContact O-N 3.13Å; M120-A124 WeakPolarHBondContact O-CB 3.21Å; M120-A124 PolarHBondContact O-N 3.37Å |
| 121 | K | 87.4 | Confident | 86 | Confident | 137 Ų | 137 | 106.4 Ų | 106.4 | 60% | 0.596 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.5 | -44 | 175.7 | -176.4 | -177.4 | 175.5 | -174 | 0 | 112.2 | H117 E118 R119 Q123 A124 L125 | H117-K121 WeakPolarHBondContact O-CB 3.49Å; H117-K121 PolarHBondContact O-N 2.83Å; E118-K121 PolarHBondContact O-N 2.73Å; R119-K121 VanDerWaalsContact C-N 3.34Å; R119-K121 PolarHBondContact O-N 3.45Å; K121-Q123 VanDerWaalsContact C-N 3.35Å; K121-A124 PolarHBondContact O-N 2.85Å; K121-L125 HydrophobicContact CG-CD1 4.27Å; K121-L125 WeakPolarHBondContact O-CG 3.43Å; K121-L125 PolarHBondContact O-N 2.83Å; K121-L125 VanDerWaalsContact O-N 3.08Å |
| 122 | R | 85.9 | Confident | 86.3 | Confident | 147 Ų | 147 | 107.2 Ų | 107.2 | 56% | 0.555 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.6 | -42.4 | 175.6 | -72.3 | 176.4 | -176.9 | 107.1 | 10.2 | 111 | E118 R119 L125 A126 | E118-R122 VanDerWaalsContact CB-NH1 3.29Å; E118-R122 WeakPolarHBondContact O-CB 2.89Å; E118-R122 WeakPolarHBondContact O-CG 3.06Å; E118-R122 PolarHBondContact O-N 2.7Å; E118-R122 IonicContact OE1-NH2 3.46Å; E118-R122 IonicContact OE2-CZ 3.17Å; E118-R122 IonicContact OE2-NH1 2.77Å; E118-R122 PolarHBondContact OE2-NH1 2.9Å; E118-R122 IonicContact OE2-NH2 3.87Å; E118-R122 PolarHBondContact OE2-NH2 2.84Å; R119-R122 PolarHBondContact O-N 2.73Å; R122-L125 PolarHBondContact O-N 3.14Å; R122-A126 WeakPolarHBondContact O-CB 3.33Å; R122-A126 PolarHBondContact O-N 2.91Å |
| 123 | Q | 85.9 | Confident | 86.3 | Confident | 113 Ų | 113 | 106.6 Ų | 106.6 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -49.1 | 176.3 | -179 | 175.9 | -15.5 | 0 | 0 | 111.9 | R119 M120 K121 L125 A126 E127 | R119-Q123 WeakPolarHBondContact O-CB 3.18Å; R119-Q123 PolarHBondContact O-N 2.81Å; M120-Q123 PolarHBondContact O-N 3.13Å; K121-Q123 VanDerWaalsContact C-N 3.35Å; Q123-L125 VanDerWaalsContact C-N 3.27Å; Q123-L125 PolarHBondContact O-N 2.78Å; Q123-A126 PolarHBondContact O-N 3.48Å; Q123-E127 HydrophobicContact CG-CG 4.34Å; Q123-E127 VanDerWaalsContact CG-OE1 3.24Å; Q123-E127 WeakPolarHBondContact CG-OE1 3.23Å; Q123-E127 PolarHBondContact NE2-OE1 2.83Å; Q123-E127 WeakPolarHBondContact O-CB 2.99Å; Q123-E127 WeakPolarHBondContact O-CG 3.44Å; Q123-E127 PolarHBondContact O-N 3.28Å |
| 124 | A | 84.8 | Confident | 86.5 | Confident | 55 Ų | 55 | 110.6 Ų | 110.6 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -33.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | M120 K121 F128 | M120-A124 WeakPolarHBondContact O-CB 3.21Å; M120-A124 PolarHBondContact O-N 3.37Å; K121-A124 PolarHBondContact O-N 2.85Å; A124-F128 WeakPolarHBondContact O-CB 3.22Å; A124-F128 PolarHBondContact O-N 3.32Å |
| 125 | L | 86 | Confident | 86.5 | Confident | 90 Ų | 90 | 106.2 Ų | 106.2 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.6 | -47 | 172.6 | -72.5 | 168.8 | 0 | 0 | 0 | 111.7 | K121 R122 Q123 E127 F128 E129 | K121-L125 HydrophobicContact CG-CD1 4.27Å; K121-L125 WeakPolarHBondContact O-CG 3.43Å; K121-L125 PolarHBondContact O-N 2.83Å; K121-L125 VanDerWaalsContact O-N 3.08Å; R122-L125 PolarHBondContact O-N 3.14Å; Q123-L125 VanDerWaalsContact C-N 3.27Å; Q123-L125 PolarHBondContact O-N 2.78Å; L125-E127 VanDerWaalsContact C-N 3.32Å; L125-E127 PolarHBondContact O-N 3.49Å; L125-F128 PolarHBondContact O-N 3.33Å; L125-E129 WeakPolarHBondContact O-CG 3.42Å; L125-E129 PolarHBondContact O-N 3.04Å |
| 126 | A | 88.1 | Confident | 86.6 | Confident | 52 Ų | 52 | 105.1 Ų | 105.1 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.5 | -36.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R122 Q123 S130 | R122-A126 WeakPolarHBondContact O-CB 3.33Å; R122-A126 PolarHBondContact O-N 2.91Å; Q123-A126 PolarHBondContact O-N 3.48Å; A126-S130 WeakPolarHBondContact O-CB 3.48Å; A126-S130 PolarHBondContact O-N 2.79Å |
| 127 | E | 88.7 | Confident | 86.6 | Confident | 102 Ų | 102 | 104 Ų | 104 | 48% | 0.477 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.2 | -43 | 173.2 | -75.8 | 173.5 | -170.3 | 0 | 0 | 111.2 | Q123 L125 S130 Y131 | Q123-E127 HydrophobicContact CG-CG 4.34Å; Q123-E127 VanDerWaalsContact CG-OE1 3.24Å; Q123-E127 WeakPolarHBondContact CG-OE1 3.23Å; Q123-E127 PolarHBondContact NE2-OE1 2.83Å; Q123-E127 WeakPolarHBondContact O-CB 2.99Å; Q123-E127 WeakPolarHBondContact O-CG 3.44Å; Q123-E127 PolarHBondContact O-N 3.28Å; L125-E127 VanDerWaalsContact C-N 3.32Å; L125-E127 PolarHBondContact O-N 3.49Å; E127-S130 PolarHBondContact O-N 2.92Å; E127-S130 PolarHBondContact O-OG 2.88Å; E127-Y131 WeakPolarHBondContact O-CB 3.33Å; E127-Y131 PolarHBondContact O-N 3.26Å |
| 128 | F | 87.3 | Confident | 86.6 | Confident | 132 Ų | 132 | 103.3 Ų | 103.3 | 58% | 0.579 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.7 | -43 | 174.4 | -178.4 | -97 | 0 | 0 | 0 | 112.7 | A124 L125 Y131 R132 | A124-F128 WeakPolarHBondContact O-CB 3.22Å; A124-F128 PolarHBondContact O-N 3.32Å; L125-F128 PolarHBondContact O-N 3.33Å; F128-Y131 PolarHBondContact O-N 3.3Å; F128-Y131 VanDerWaalsContact O-N 3.17Å; F128-R132 PolarHBondContact O-N 2.88Å |
| 129 | E | 86.7 | Confident | 86.5 | Confident | 115 Ų | 115 | 103.8 Ų | 103.8 | 54% | 0.537 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 174.1 | -73.4 | 170.2 | 174.2 | 0 | 0 | 111 | L125 Y131 R132 Q133 | L125-E129 WeakPolarHBondContact O-CG 3.42Å; L125-E129 PolarHBondContact O-N 3.04Å; E129-Y131 VanDerWaalsContact C-N 3.25Å; E129-Y131 PolarHBondContact O-N 2.92Å; E129-R132 PolarHBondContact O-N 3.43Å; E129-Q133 WeakPolarHBondContact O-CB 3.42Å; E129-Q133 PolarHBondContact O-N 3.36Å |
| 130 | S | 85.6 | Confident | 86.5 | Confident | 48 Ų | 48 | 102.6 Ų | 102.6 | 34% | 0.336 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.4 | -29.5 | 174.6 | 84.1 | 0 | 0 | 0 | 0 | 113.2 | A126 E127 R134 | A126-S130 WeakPolarHBondContact O-CB 3.48Å; A126-S130 PolarHBondContact O-N 2.79Å; E127-S130 PolarHBondContact O-N 2.92Å; E127-S130 PolarHBondContact O-OG 2.88Å; S130-R134 WeakPolarHBondContact O-CB 3.27Å; S130-R134 VanDerWaalsContact O-CG 3.29Å; S130-R134 WeakPolarHBondContact O-CG 3.31Å; S130-R134 PolarHBondContact O-N 3.21Å; S130-R134 VanDerWaalsContact O-N 3.13Å; S130-R134 PolarHBondContact O-NE 2.78Å; S130-R134 PolarHBondContact OG-NH2 3.36Å |
| 131 | Y | 84.7 | Confident | 86.5 | Confident | 142 Ų | 142 | 100.4 Ų | 100.4 | 56% | 0.557 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -76.1 | -45.6 | 176.1 | 176.8 | -95.7 | 0 | 0 | 0 | 110.6 | E127 F128 E129 Q133 R134 V135 | E127-Y131 WeakPolarHBondContact O-CB 3.33Å; E127-Y131 PolarHBondContact O-N 3.26Å; F128-Y131 PolarHBondContact O-N 3.3Å; F128-Y131 VanDerWaalsContact O-N 3.17Å; E129-Y131 VanDerWaalsContact C-N 3.25Å; E129-Y131 PolarHBondContact O-N 2.92Å; Y131-Q133 VanDerWaalsContact C-N 3.33Å; Y131-Q133 PolarHBondContact O-N 3.37Å; Y131-R134 PolarHBondContact O-N 3.26Å; Y131-V135 HydrophobicContact CD1-CG2 4.36Å; Y131-V135 HydrophobicContact CE1-CG2 3.87Å; Y131-V135 HydrophobicContact CE2-CG2 4.32Å; Y131-V135 WeakPolarHBondContact O-CG2 3.11Å; Y131-V135 PolarHBondContact O-N 3Å |
| 132 | R | 90.8 | Very high | 86.2 | Confident | 126 Ų | 126 | 96.8 Ų | 96.8 | 48% | 0.475 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -56.3 | -48.6 | 174.7 | -159 | -160.1 | 82.1 | -148.4 | -5.6 | 110.5 | F128 E129 R134 V135 E136 | F128-R132 PolarHBondContact O-N 2.88Å; E129-R132 PolarHBondContact O-N 3.43Å; R132-R134 PolarHBondContact O-N 3.07Å; R132-V135 WeakPolarHBondContact O-CB 3.27Å; R132-V135 PolarHBondContact O-N 3.36Å; R132-V135 VanDerWaalsContact O-N 3.1Å; R132-E136 WeakPolarHBondContact CD-OE1 3.28Å; R132-E136 IonicContact CZ-OE1 2.79Å; R132-E136 IonicContact CZ-OE2 3.18Å; R132-E136 VanDerWaalsContact NE-CD 3.3Å; R132-E136 IonicContact NE-OE1 2.98Å; R132-E136 PolarHBondContact NE-OE1 3.38Å; R132-E136 IonicContact NE-OE2 3.09Å; R132-E136 PolarHBondContact NE-OE2 3.29Å; R132-E136 IonicContact NH2-OE1 3.99Å; R132-E136 PolarHBondContact NH2-OE1 3.07Å; R132-E136 IonicContact NH2-OE2 3.17Å; R132-E136 PolarHBondContact NH2-OE2 2.83Å; R132-E136 WeakPolarHBondContact O-CG 3.4Å; R132-E136 PolarHBondContact O-N 3.33Å |
| 133 | Q | 86.3 | Confident | 85.9 | Confident | 109 Ų | 109 | 95.6 Ų | 95.6 | 51% | 0.509 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 179.1 | -170.3 | 160 | 4 | 0 | 0 | 112.4 | E129 Y131 V135 E136 D137 | E129-Q133 WeakPolarHBondContact O-CB 3.42Å; E129-Q133 PolarHBondContact O-N 3.36Å; Y131-Q133 VanDerWaalsContact C-N 3.33Å; Y131-Q133 PolarHBondContact O-N 3.37Å; Q133-V135 VanDerWaalsContact C-N 3.28Å; Q133-V135 PolarHBondContact O-N 3.05Å; Q133-E136 PolarHBondContact O-N 3.34Å; Q133-D137 WeakPolarHBondContact O-CB 3.37Å; Q133-D137 PolarHBondContact O-N 2.93Å |
| 134 | R | 89.1 | Confident | 85.7 | Confident | 144 Ų | 144 | 92.8 Ų | 92.8 | 54% | 0.543 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.3 | -30 | 171.5 | -81.4 | 176.5 | -73.3 | 159 | -6.8 | 113.7 | S130 Y131 R132 M138 | S130-R134 WeakPolarHBondContact O-CB 3.27Å; S130-R134 VanDerWaalsContact O-CG 3.29Å; S130-R134 WeakPolarHBondContact O-CG 3.31Å; S130-R134 PolarHBondContact O-N 3.21Å; S130-R134 VanDerWaalsContact O-N 3.13Å; S130-R134 PolarHBondContact O-NE 2.78Å; S130-R134 PolarHBondContact OG-NH2 3.36Å; Y131-R134 PolarHBondContact O-N 3.26Å; R132-R134 PolarHBondContact O-N 3.07Å; R134-M138 WeakPolarHBondContact O-CB 3.37Å; R134-M138 PolarHBondContact O-N 2.95Å; R134-M138 VanDerWaalsContact O-N 3.08Å |
| 135 | V | 85.4 | Confident | 85.5 | Confident | 43 Ų | 43 | 94.4 Ų | 94.4 | 26% | 0.261 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -74.6 | -41.8 | 173.1 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | Y131 R132 Q133 M138 Q139 | Y131-V135 HydrophobicContact CD1-CG2 4.36Å; Y131-V135 HydrophobicContact CE1-CG2 3.87Å; Y131-V135 HydrophobicContact CE2-CG2 4.32Å; Y131-V135 WeakPolarHBondContact O-CG2 3.11Å; Y131-V135 PolarHBondContact O-N 3Å; R132-V135 WeakPolarHBondContact O-CB 3.27Å; R132-V135 PolarHBondContact O-N 3.36Å; R132-V135 VanDerWaalsContact O-N 3.1Å; Q133-V135 VanDerWaalsContact C-N 3.28Å; Q133-V135 PolarHBondContact O-N 3.05Å; V135-M138 PolarHBondContact O-N 3.16Å; V135-Q139 WeakPolarHBondContact O-CB 3.37Å; V135-Q139 VanDerWaalsContact O-CG 3.3Å; V135-Q139 WeakPolarHBondContact O-CG 3.41Å; V135-Q139 PolarHBondContact O-N 3.24Å |
| 136 | E | 87.6 | Confident | 85.1 | Confident | 70 Ų | 70 | 95.4 Ų | 95.4 | 33% | 0.327 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.1 | -50 | 174.6 | -70.3 | 164.3 | 170.1 | 0 | 0 | 111 | R132 Q133 M138 Q139 L140 | R132-E136 WeakPolarHBondContact CD-OE1 3.28Å; R132-E136 IonicContact CZ-OE1 2.79Å; R132-E136 IonicContact CZ-OE2 3.18Å; R132-E136 VanDerWaalsContact NE-CD 3.3Å; R132-E136 IonicContact NE-OE1 2.98Å; R132-E136 PolarHBondContact NE-OE1 3.38Å; R132-E136 IonicContact NE-OE2 3.09Å; R132-E136 PolarHBondContact NE-OE2 3.29Å; R132-E136 IonicContact NH2-OE1 3.99Å; R132-E136 PolarHBondContact NH2-OE1 3.07Å; R132-E136 IonicContact NH2-OE2 3.17Å; R132-E136 PolarHBondContact NH2-OE2 2.83Å; R132-E136 WeakPolarHBondContact O-CG 3.4Å; R132-E136 PolarHBondContact O-N 3.33Å; Q133-E136 PolarHBondContact O-N 3.34Å; E136-M138 VanDerWaalsContact C-N 3.34Å; E136-M138 PolarHBondContact O-N 3.27Å; E136-Q139 PolarHBondContact O-N 3.05Å; E136-L140 WeakPolarHBondContact O-CB 3.09Å; E136-L140 WeakPolarHBondContact O-CG 3.26Å; E136-L140 PolarHBondContact O-N 3.02Å |
| 137 | D | 87.9 | Confident | 84.9 | Confident | 78 Ų | 78 | 97.1 Ų | 97.1 | 42% | 0.417 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 175.5 | -69 | -28.4 | 0 | 0 | 0 | 111.9 | Q133 C141 | Q133-D137 WeakPolarHBondContact O-CB 3.37Å; Q133-D137 PolarHBondContact O-N 2.93Å; D137-C141 WeakPolarHBondContact O-CB 3.23Å; D137-C141 PolarHBondContact O-N 3.48Å; D137-C141 PolarHBondContact O-SG 3.32Å |
| 138 | M | 84.7 | Confident | 84.6 | Confident | 122 Ų | 122 | 98.9 Ų | 98.9 | 60% | 0.601 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -71.4 | -36.7 | 178.5 | -177.5 | 157.4 | 51.7 | 0 | 0 | 112.3 | R134 V135 E136 C141 T142 | R134-M138 WeakPolarHBondContact O-CB 3.37Å; R134-M138 PolarHBondContact O-N 2.95Å; R134-M138 VanDerWaalsContact O-N 3.08Å; V135-M138 PolarHBondContact O-N 3.16Å; E136-M138 VanDerWaalsContact C-N 3.34Å; E136-M138 PolarHBondContact O-N 3.27Å; M138-C141 PolarHBondContact O-N 2.83Å; M138-T142 WeakPolarHBondContact O-CG2 3.36Å; M138-T142 PolarHBondContact O-N 2.8Å; M138-T142 PolarHBondContact O-OG1 2.77Å |
| 139 | Q | 81.2 | Confident | 84.5 | Confident | 107 Ų | 107 | 99.1 Ų | 99.1 | 50% | 0.5 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61 | -51.6 | 170.9 | -77.6 | 173.2 | -13.2 | 0 | 0 | 110.3 | V135 E136 C141 T142 E143 | V135-Q139 WeakPolarHBondContact O-CB 3.37Å; V135-Q139 VanDerWaalsContact O-CG 3.3Å; V135-Q139 WeakPolarHBondContact O-CG 3.41Å; V135-Q139 PolarHBondContact O-N 3.24Å; E136-Q139 PolarHBondContact O-N 3.05Å; Q139-C141 VanDerWaalsContact C-N 3.28Å; Q139-C141 PolarHBondContact O-N 3.21Å; Q139-T142 PolarHBondContact O-N 3.38Å; Q139-T142 PolarHBondContact O-OG1 2.77Å; Q139-E143 WeakPolarHBondContact O-CG 3.16Å; Q139-E143 PolarHBondContact O-N 3.15Å |
| 140 | L | 86.4 | Confident | 84.3 | Confident | 106 Ų | 106 | 98 Ų | 98 | 56% | 0.555 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -56.7 | -39.7 | 175 | -71.1 | 170.1 | 0 | 0 | 0 | 112.4 | E136 E143 A144 | E136-L140 WeakPolarHBondContact O-CB 3.09Å; E136-L140 WeakPolarHBondContact O-CG 3.26Å; E136-L140 PolarHBondContact O-N 3.02Å; L140-E143 PolarHBondContact O-N 2.82Å; L140-A144 WeakPolarHBondContact O-CB 3.44Å; L140-A144 PolarHBondContact O-N 2.84Å |
| 141 | C | 86.3 | Confident | 84.4 | Confident | 71 Ų | 71 | 100.4 Ų | 100.4 | 48% | 0.48 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 174.1 | -72.8 | 0 | 0 | 0 | 0 | 112.6 | D137 M138 Q139 Q145 | D137-C141 WeakPolarHBondContact O-CB 3.23Å; D137-C141 PolarHBondContact O-N 3.48Å; D137-C141 PolarHBondContact O-SG 3.32Å; M138-C141 PolarHBondContact O-N 2.83Å; Q139-C141 VanDerWaalsContact C-N 3.28Å; Q139-C141 PolarHBondContact O-N 3.21Å; C141-Q145 WeakPolarHBondContact O-CB 3.28Å; C141-Q145 VanDerWaalsContact O-CG 3.3Å; C141-Q145 WeakPolarHBondContact O-CG 3.15Å; C141-Q145 PolarHBondContact O-N 3.29Å |
| 142 | T | 81 | Confident | 84.4 | Confident | 61 Ų | 61 | 96.4 Ų | 96.4 | 37% | 0.374 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.2 | -40.6 | 175.1 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | M138 Q139 Q145 H146 | M138-T142 WeakPolarHBondContact O-CG2 3.36Å; M138-T142 PolarHBondContact O-N 2.8Å; M138-T142 PolarHBondContact O-OG1 2.77Å; Q139-T142 PolarHBondContact O-N 3.38Å; Q139-T142 PolarHBondContact O-OG1 2.77Å; T142-Q145 PolarHBondContact O-N 2.72Å; T142-H146 WeakPolarHBondContact O-CB 3.4Å; T142-H146 PolarHBondContact O-CD2 3.02Å; T142-H146 PolarHBondContact O-N 3.41Å |
| 143 | E | 80.6 | Confident | 84 | Confident | 121 Ų | 121 | 96.3 Ų | 96.3 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.5 | -40 | 175.7 | -69.7 | -179.5 | 176.2 | 0 | 0 | 111.9 | Q139 L140 H146 T147 | Q139-E143 WeakPolarHBondContact O-CG 3.16Å; Q139-E143 PolarHBondContact O-N 3.15Å; L140-E143 PolarHBondContact O-N 2.82Å; E143-H146 PolarHBondContact O-N 3.11Å; E143-T147 WeakPolarHBondContact O-CB 3.09Å; E143-T147 WeakPolarHBondContact O-CG2 3.25Å; E143-T147 PolarHBondContact O-N 3.13Å; E143-T147 PolarHBondContact O-OG1 2.91Å |
| 144 | A | 79.9 | Confident | 83.5 | Confident | 54 Ų | 54 | 94.1 Ų | 94.1 | 45% | 0.446 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L140 T147 Q148 | L140-A144 WeakPolarHBondContact O-CB 3.44Å; L140-A144 PolarHBondContact O-N 2.84Å; A144-T147 WeakPolarHBondContact CA-OG1 3.3Å; A144-T147 PolarHBondContact O-OG1 3.38Å; A144-T147 VanDerWaalsContact O-OG1 3.07Å; A144-Q148 WeakPolarHBondContact O-CB 3.33Å; A144-Q148 PolarHBondContact O-N 3.43Å |
| 145 | Q | 80.8 | Confident | 83.4 | Confident | 90 Ų | 90 | 94.7 Ų | 94.7 | 42% | 0.421 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 175.2 | -75.3 | 179.8 | 31.6 | 0 | 0 | 112.8 | C141 T142 R149 | C141-Q145 WeakPolarHBondContact O-CB 3.28Å; C141-Q145 VanDerWaalsContact O-CG 3.3Å; C141-Q145 WeakPolarHBondContact O-CG 3.15Å; C141-Q145 PolarHBondContact O-N 3.29Å; T142-Q145 PolarHBondContact O-N 2.72Å; Q145-R149 WeakPolarHBondContact O-CB 3.43Å; Q145-R149 VanDerWaalsContact O-CG 3.25Å; Q145-R149 WeakPolarHBondContact O-CG 3.48Å; Q145-R149 PolarHBondContact O-N 2.86Å |
| 146 | H | 79.1 | Confident | 83.4 | Confident | 111 Ų | 111 | 96.9 Ų | 96.9 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.6 | -46 | 177.1 | -78.3 | -63.8 | 0 | 0 | 0 | 111.4 | T142 E143 R149 V150 | T142-H146 WeakPolarHBondContact O-CB 3.4Å; T142-H146 PolarHBondContact O-CD2 3.02Å; T142-H146 PolarHBondContact O-N 3.41Å; E143-H146 PolarHBondContact O-N 3.11Å; H146-R149 PolarHBondContact O-N 2.81Å; H146-V150 WeakPolarHBondContact O-CG2 3.39Å; H146-V150 PolarHBondContact O-N 3.08Å |
| 147 | T | 83.1 | Confident | 83.2 | Confident | 88 Ų | 88 | 97.8 Ų | 97.8 | 54% | 0.54 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 174.9 | 50.3 | 0 | 0 | 0 | 0 | 111.8 | E143 A144 R149 V150 V151 | E143-T147 WeakPolarHBondContact O-CB 3.09Å; E143-T147 WeakPolarHBondContact O-CG2 3.25Å; E143-T147 PolarHBondContact O-N 3.13Å; E143-T147 PolarHBondContact O-OG1 2.91Å; A144-T147 WeakPolarHBondContact CA-OG1 3.3Å; A144-T147 PolarHBondContact O-OG1 3.38Å; A144-T147 VanDerWaalsContact O-OG1 3.07Å; T147-R149 PolarHBondContact O-N 3.09Å; T147-V150 PolarHBondContact O-N 2.84Å; T147-V151 WeakPolarHBondContact O-CG2 3.11Å; T147-V151 PolarHBondContact O-N 3.02Å |
| 148 | Q | 82.9 | Confident | 83.1 | Confident | 139 Ų | 139 | 98.6 Ų | 98.6 | 65% | 0.65 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.8 | -42.3 | 174.3 | -174.3 | -179.9 | 12.5 | 0 | 0 | 112.6 | A144 V151 S152 | A144-Q148 WeakPolarHBondContact O-CB 3.33Å; A144-Q148 PolarHBondContact O-N 3.43Å; Q148-V151 PolarHBondContact O-N 3.12Å; Q148-S152 PolarHBondContact O-N 3.14Å |
| 149 | R | 84.6 | Confident | 83.2 | Confident | 136 Ų | 136 | 96.8 Ų | 96.8 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 175.2 | -72.1 | 174.5 | -143.3 | 175.4 | 7.8 | 111.8 | Q145 H146 T147 S152 M153 | Q145-R149 WeakPolarHBondContact O-CB 3.43Å; Q145-R149 VanDerWaalsContact O-CG 3.25Å; Q145-R149 WeakPolarHBondContact O-CG 3.48Å; Q145-R149 PolarHBondContact O-N 2.86Å; H146-R149 PolarHBondContact O-N 2.81Å; T147-R149 PolarHBondContact O-N 3.09Å; R149-S152 PolarHBondContact O-N 3.48Å; R149-M153 WeakPolarHBondContact O-CG 3.38Å; R149-M153 PolarHBondContact O-N 3.33Å |
| 150 | V | 82.4 | Confident | 83.3 | Confident | 92 Ų | 92 | 96.6 Ų | 96.6 | 56% | 0.558 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.3 | -45 | 174.3 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | H146 T147 S152 M153 S154 | H146-V150 WeakPolarHBondContact O-CG2 3.39Å; H146-V150 PolarHBondContact O-N 3.08Å; T147-V150 PolarHBondContact O-N 2.84Å; V150-S152 PolarHBondContact O-N 3.33Å; V150-M153 PolarHBondContact O-N 2.95Å; V150-S154 WeakPolarHBondContact O-CB 3.46Å; V150-S154 PolarHBondContact O-N 2.72Å; V150-S154 PolarHBondContact O-OG 3.48Å |
| 151 | V | 86.8 | Confident | 83.3 | Confident | 99 Ų | 99 | 99.1 Ų | 99.1 | 60% | 0.6 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.7 | -38.2 | 177 | 169.7 | 0 | 0 | 0 | 0 | 112.1 | T147 Q148 R155 | T147-V151 WeakPolarHBondContact O-CG2 3.11Å; T147-V151 PolarHBondContact O-N 3.02Å; Q148-V151 PolarHBondContact O-N 3.12Å; V151-R155 VanDerWaalsContact O-CB 3.31Å; V151-R155 WeakPolarHBondContact O-CB 3.47Å; V151-R155 PolarHBondContact O-N 2.91Å |
| 152 | S | 86.7 | Confident | 83.3 | Confident | 57 Ų | 57 | 101.7 Ų | 101.7 | 40% | 0.399 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -52.7 | 172.8 | -160.7 | 0 | 0 | 0 | 0 | 111 | Q148 R149 V150 S154 R155 E156 | Q148-S152 PolarHBondContact O-N 3.14Å; R149-S152 PolarHBondContact O-N 3.48Å; V150-S152 PolarHBondContact O-N 3.33Å; S152-S154 VanDerWaalsContact C-N 3.34Å; S152-S154 PolarHBondContact O-N 3.2Å; S152-R155 CarbonylContact O-C 3.56Å; S152-R155 WeakPolarHBondContact O-CA 3.42Å; S152-R155 WeakPolarHBondContact O-CB 3.17Å; S152-R155 PolarHBondContact O-N 3.12Å; S152-E156 WeakPolarHBondContact CB-OE1 3.49Å; S152-E156 VanDerWaalsContact O-CG 3.3Å; S152-E156 WeakPolarHBondContact O-CG 3.38Å; S152-E156 PolarHBondContact O-N 2.9Å; S152-E156 PolarHBondContact OG-OE1 3.4Å |
| 153 | M | 80.6 | Confident | 83.7 | Confident | 124 Ų | 124 | 100.5 Ų | 100.5 | 61% | 0.611 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.9 | -39.8 | 178.6 | -71 | -175.4 | 70.3 | 0 | 0 | 112.8 | R149 V150 E156 V157 | R149-M153 WeakPolarHBondContact O-CG 3.38Å; R149-M153 PolarHBondContact O-N 3.33Å; V150-M153 PolarHBondContact O-N 2.95Å; M153-E156 PolarHBondContact O-N 3.21Å; M153-V157 WeakPolarHBondContact O-CB 3.42Å; M153-V157 VanDerWaalsContact O-CG2 3.27Å; M153-V157 WeakPolarHBondContact O-CG2 3.34Å; M153-V157 PolarHBondContact O-N 3.23Å |
| 154 | S | 76.4 | Confident | 83.8 | Confident | 63 Ų | 63 | 100.9 Ų | 100.9 | 44% | 0.441 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 173.2 | -68.6 | 0 | 0 | 0 | 0 | 111.4 | V150 S152 V157 E158 | V150-S154 WeakPolarHBondContact O-CB 3.46Å; V150-S154 PolarHBondContact O-N 2.72Å; V150-S154 PolarHBondContact O-OG 3.48Å; S152-S154 VanDerWaalsContact C-N 3.34Å; S152-S154 PolarHBondContact O-N 3.2Å; S154-V157 PolarHBondContact O-N 3.28Å; S154-E158 WeakPolarHBondContact O-CG 3.22Å; S154-E158 PolarHBondContact O-N 3.32Å |
| 155 | R | 86.7 | Confident | 84.1 | Confident | 156 Ų | 156 | 102.6 Ų | 102.6 | 59% | 0.589 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.9 | -43.7 | 176.5 | 179.9 | -179.6 | 174.7 | 132.9 | 13.2 | 112.1 | V151 S152 V157 E158 E159 | V151-R155 VanDerWaalsContact O-CB 3.31Å; V151-R155 WeakPolarHBondContact O-CB 3.47Å; V151-R155 PolarHBondContact O-N 2.91Å; S152-R155 CarbonylContact O-C 3.56Å; S152-R155 WeakPolarHBondContact O-CA 3.42Å; S152-R155 WeakPolarHBondContact O-CB 3.17Å; S152-R155 PolarHBondContact O-N 3.12Å; R155-V157 VanDerWaalsContact C-N 3.34Å; R155-V157 PolarHBondContact O-N 2.83Å; R155-E158 PolarHBondContact O-N 2.87Å; R155-E159 HydrophobicContact CG-CG 4.43Å; R155-E159 IonicContact CZ-OE1 2.74Å; R155-E159 IonicContact NE-OE1 2.84Å; R155-E159 PolarHBondContact NE-OE1 3.24Å; R155-E159 IonicContact NH2-OE1 3.2Å; R155-E159 PolarHBondContact NH2-OE1 2.79Å; R155-E159 WeakPolarHBondContact O-CB 3.24Å; R155-E159 WeakPolarHBondContact O-CG 3.32Å; R155-E159 PolarHBondContact O-N 3.5Å |
| 156 | E | 85 | Confident | 84.5 | Confident | 90 Ų | 90 | 104.7 Ų | 104.7 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 176.6 | -69.6 | 155 | -134.1 | 0 | 0 | 111.3 | S152 M153 E159 M160 | S152-E156 WeakPolarHBondContact CB-OE1 3.49Å; S152-E156 VanDerWaalsContact O-CG 3.3Å; S152-E156 WeakPolarHBondContact O-CG 3.38Å; S152-E156 PolarHBondContact O-N 2.9Å; S152-E156 PolarHBondContact OG-OE1 3.4Å; M153-E156 PolarHBondContact O-N 3.21Å; E156-E159 PolarHBondContact O-N 2.84Å; E156-M160 WeakPolarHBondContact O-CB 3.29Å; E156-M160 WeakPolarHBondContact O-CG 3.34Å; E156-M160 PolarHBondContact O-N 3.29Å |
| 157 | V | 83.5 | Confident | 85 | Confident | 88 Ų | 88 | 105.3 Ų | 105.3 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 173.4 | 168.6 | 0 | 0 | 0 | 0 | 111.8 | M153 S154 R155 M160 R161 | M153-V157 WeakPolarHBondContact O-CB 3.42Å; M153-V157 VanDerWaalsContact O-CG2 3.27Å; M153-V157 WeakPolarHBondContact O-CG2 3.34Å; M153-V157 PolarHBondContact O-N 3.23Å; S154-V157 PolarHBondContact O-N 3.28Å; R155-V157 VanDerWaalsContact C-N 3.34Å; R155-V157 PolarHBondContact O-N 2.83Å; V157-M160 HydrophobicContact CG2-CE 4.15Å; V157-R161 VanDerWaalsContact O-CB 3.27Å; V157-R161 WeakPolarHBondContact O-CB 3.18Å; V157-R161 PolarHBondContact O-N 2.89Å |
| 158 | E | 85.4 | Confident | 85 | Confident | 95 Ų | 95 | 106.6 Ų | 106.6 | 44% | 0.444 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.1 | -39.6 | 173.4 | -74.7 | -179 | -171.4 | 0 | 0 | 113.1 | S154 R155 R161 R162 | S154-E158 WeakPolarHBondContact O-CG 3.22Å; S154-E158 PolarHBondContact O-N 3.32Å; R155-E158 PolarHBondContact O-N 2.87Å; E158-R161 PolarHBondContact O-N 2.84Å; E158-R162 VanDerWaalsContact O-CG 3.3Å; E158-R162 WeakPolarHBondContact O-CG 3.41Å; E158-R162 PolarHBondContact O-N 3.43Å; E158-R162 IonicContact OE2-CZ 2.65Å; E158-R162 IonicContact OE2-NH1 2.71Å; E158-R162 IonicContact OE2-NH2 3.67Å; E158-R162 PolarHBondContact OE2-NH2 3.03Å |
| 159 | E | 88 | Confident | 85.4 | Confident | 84 Ų | 84 | 108 Ų | 108 | 39% | 0.393 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.1 | -39.8 | 177.1 | -73 | 177.7 | -178.4 | 0 | 0 | 111 | R155 E156 R162 S163 | R155-E159 HydrophobicContact CG-CG 4.43Å; R155-E159 IonicContact CZ-OE1 2.74Å; R155-E159 IonicContact NE-OE1 2.84Å; R155-E159 PolarHBondContact NE-OE1 3.24Å; R155-E159 IonicContact NH2-OE1 3.2Å; R155-E159 PolarHBondContact NH2-OE1 2.79Å; R155-E159 WeakPolarHBondContact O-CB 3.24Å; R155-E159 WeakPolarHBondContact O-CG 3.32Å; R155-E159 PolarHBondContact O-N 3.5Å; E156-E159 PolarHBondContact O-N 2.84Å; E159-R162 PolarHBondContact O-N 3.12Å; E159-S163 PolarHBondContact O-N 2.76Å |
| 160 | M | 83.9 | Confident | 85.5 | Confident | 103 Ų | 103 | 105.1 Ų | 105.1 | 51% | 0.507 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 167.2 | -78.2 | -171 | -75.7 | 0 | 0 | 111.4 | E156 V157 R162 S163 F164 | E156-M160 WeakPolarHBondContact O-CB 3.29Å; E156-M160 WeakPolarHBondContact O-CG 3.34Å; E156-M160 PolarHBondContact O-N 3.29Å; V157-M160 HydrophobicContact CG2-CE 4.15Å; M160-R162 PolarHBondContact O-N 2.78Å; M160-S163 WeakPolarHBondContact O-CB 3.48Å; M160-S163 PolarHBondContact O-N 2.8Å; M160-S163 VanDerWaalsContact O-N 3.13Å; M160-S163 PolarHBondContact O-OG 2.62Å; M160-F164 VanDerWaalsContact O-CD2 3.24Å; M160-F164 WeakPolarHBondContact O-CD2 3.47Å; M160-F164 PolarHBondContact O-N 2.77Å |
| 161 | R | 84.7 | Confident | 85.7 | Confident | 159 Ų | 159 | 107.3 Ų | 107.3 | 60% | 0.6 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.6 | -47.6 | 178 | 178.4 | -178.9 | 165.1 | -163.1 | -11.5 | 111.8 | V157 E158 S163 F164 E165 | V157-R161 VanDerWaalsContact O-CB 3.27Å; V157-R161 WeakPolarHBondContact O-CB 3.18Å; V157-R161 PolarHBondContact O-N 2.89Å; E158-R161 PolarHBondContact O-N 2.84Å; R161-S163 VanDerWaalsContact C-N 3.29Å; R161-S163 PolarHBondContact O-N 3.36Å; R161-F164 PolarHBondContact O-N 3.43Å; R161-F164 VanDerWaalsContact O-N 3.07Å; R161-E165 HydrophobicContact CG-CG 4.44Å; R161-E165 IonicContact CZ-OE1 3.85Å; R161-E165 IonicContact NE-OE1 3.41Å; R161-E165 PolarHBondContact NE-OE1 3.08Å; R161-E165 IonicContact NE-OE2 2.76Å; R161-E165 IonicContact NH2-OE1 3.19Å; R161-E165 PolarHBondContact NH2-OE1 2.89Å; R161-E165 WeakPolarHBondContact O-CG 3.4Å; R161-E165 PolarHBondContact O-N 3.23Å |
| 162 | R | 87.2 | Confident | 85.5 | Confident | 125 Ų | 125 | 105.9 Ų | 105.9 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.9 | -43 | 174.3 | -71.6 | 173.4 | -163.2 | 109.4 | 9.8 | 110.9 | E158 E159 M160 F164 E165 E166 | E158-R162 VanDerWaalsContact O-CG 3.3Å; E158-R162 WeakPolarHBondContact O-CG 3.41Å; E158-R162 PolarHBondContact O-N 3.43Å; E158-R162 IonicContact OE2-CZ 2.65Å; E158-R162 IonicContact OE2-NH1 2.71Å; E158-R162 IonicContact OE2-NH2 3.67Å; E158-R162 PolarHBondContact OE2-NH2 3.03Å; E159-R162 PolarHBondContact O-N 3.12Å; M160-R162 PolarHBondContact O-N 2.78Å; R162-F164 VanDerWaalsContact C-N 3.3Å; R162-F164 PolarHBondContact O-N 2.86Å; R162-E165 PolarHBondContact O-N 2.77Å; R162-E166 VanDerWaalsContact O-CB 3.32Å; R162-E166 WeakPolarHBondContact O-CB 3.5Å; R162-E166 PolarHBondContact O-N 2.79Å |
| 163 | S | 88.8 | Confident | 85.5 | Confident | 37 Ų | 37 | 107.7 Ų | 107.7 | 26% | 0.259 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.6 | -31 | 176.8 | 87.8 | 0 | 0 | 0 | 0 | 113.4 | E159 M160 R161 K167 | E159-S163 PolarHBondContact O-N 2.76Å; M160-S163 WeakPolarHBondContact O-CB 3.48Å; M160-S163 PolarHBondContact O-N 2.8Å; M160-S163 VanDerWaalsContact O-N 3.13Å; M160-S163 PolarHBondContact O-OG 2.62Å; R161-S163 VanDerWaalsContact C-N 3.29Å; R161-S163 PolarHBondContact O-N 3.36Å; S163-K167 WeakPolarHBondContact O-CB 3.39Å; S163-K167 WeakPolarHBondContact O-CD 3.41Å; S163-K167 WeakPolarHBondContact O-CG 3.47Å; S163-K167 PolarHBondContact O-N 3.28Å |
| 164 | F | 83.1 | Confident | 85.8 | Confident | 128 Ų | 128 | 103.4 Ų | 103.4 | 56% | 0.561 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -75.9 | -41.3 | 173.5 | -81.1 | -69 | 0 | 0 | 0 | 112 | M160 R161 R162 E166 K167 L168 | M160-F164 VanDerWaalsContact O-CD2 3.24Å; M160-F164 WeakPolarHBondContact O-CD2 3.47Å; M160-F164 PolarHBondContact O-N 2.77Å; R161-F164 PolarHBondContact O-N 3.43Å; R161-F164 VanDerWaalsContact O-N 3.07Å; R162-F164 VanDerWaalsContact C-N 3.3Å; R162-F164 PolarHBondContact O-N 2.86Å; F164-E166 VanDerWaalsContact C-N 3.31Å; F164-E166 PolarHBondContact O-N 3.21Å; F164-K167 PolarHBondContact O-N 3.43Å; F164-L168 WeakPolarHBondContact O-CB 3.33Å; F164-L168 VanDerWaalsContact O-CG 3.27Å; F164-L168 WeakPolarHBondContact O-CG 3.33Å; F164-L168 PolarHBondContact O-N 2.93Å |
| 165 | E | 87.3 | Confident | 86.1 | Confident | 91 Ų | 91 | 104.8 Ų | 104.8 | 43% | 0.425 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 174.4 | -71 | 173.6 | 167.5 | 0 | 0 | 111.5 | R161 R162 R169 | R161-E165 HydrophobicContact CG-CG 4.44Å; R161-E165 IonicContact CZ-OE1 3.85Å; R161-E165 IonicContact NE-OE1 3.41Å; R161-E165 PolarHBondContact NE-OE1 3.08Å; R161-E165 IonicContact NE-OE2 2.76Å; R161-E165 IonicContact NH2-OE1 3.19Å; R161-E165 PolarHBondContact NH2-OE1 2.89Å; R161-E165 WeakPolarHBondContact O-CG 3.4Å; R161-E165 PolarHBondContact O-N 3.23Å; R162-E165 PolarHBondContact O-N 2.77Å; E165-R169 WeakPolarHBondContact O-CB 3.49Å; E165-R169 PolarHBondContact O-N 2.8Å |
| 166 | E | 87.9 | Confident | 86 | Confident | 133 Ų | 133 | 100 Ų | 100 | 62% | 0.621 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.7 | -45.4 | 172.9 | -173.8 | 166.8 | -140 | 0 | 0 | 112.2 | R162 F164 L168 R169 T170 | R162-E166 VanDerWaalsContact O-CB 3.32Å; R162-E166 WeakPolarHBondContact O-CB 3.5Å; R162-E166 PolarHBondContact O-N 2.79Å; F164-E166 VanDerWaalsContact C-N 3.31Å; F164-E166 PolarHBondContact O-N 3.21Å; E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 PolarHBondContact O-N 2.7Å; E166-R169 WeakPolarHBondContact O-CB 3.44Å; E166-R169 PolarHBondContact O-N 2.88Å; E166-R169 VanDerWaalsContact O-N 3.15Å; E166-T170 PolarHBondContact O-N 3.43Å; E166-T170 PolarHBondContact O-OG1 3.1Å |
| 167 | K | 88.9 | Confident | 86 | Confident | 125 Ų | 125 | 101.2 Ų | 101.2 | 54% | 0.543 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 173.2 | -77.6 | 164.8 | -173.4 | 165.5 | 0 | 112 | S163 F164 T170 F171 | S163-K167 WeakPolarHBondContact O-CB 3.39Å; S163-K167 WeakPolarHBondContact O-CD 3.41Å; S163-K167 WeakPolarHBondContact O-CG 3.47Å; S163-K167 PolarHBondContact O-N 3.28Å; F164-K167 PolarHBondContact O-N 3.43Å; K167-T170 WeakPolarHBondContact CA-OG1 3.14Å; K167-T170 PolarHBondContact O-N 3.31Å; K167-T170 PolarHBondContact O-OG1 2.98Å; K167-F171 WeakPolarHBondContact O-CB 3.45Å; K167-F171 PolarHBondContact O-N 3.27Å |
| 168 | L | 84.8 | Confident | 86.1 | Confident | 114 Ų | 114 | 104 Ų | 104 | 60% | 0.597 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.9 | -43.9 | 174.2 | -75.6 | 168.6 | 0 | 0 | 0 | 111.3 | F164 E166 F171 S172 | F164-L168 WeakPolarHBondContact O-CB 3.33Å; F164-L168 VanDerWaalsContact O-CG 3.27Å; F164-L168 WeakPolarHBondContact O-CG 3.33Å; F164-L168 PolarHBondContact O-N 2.93Å; E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 PolarHBondContact O-N 2.7Å; L168-F171 PolarHBondContact O-N 2.75Å; L168-S172 PolarHBondContact O-N 2.78Å; L168-S172 PolarHBondContact O-OG 2.85Å |
| 169 | R | 90.2 | Very high | 86 | Confident | 170 Ų | 170 | 103.2 Ų | 103.2 | 64% | 0.642 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.7 | -45.6 | 174.4 | 175.7 | 176.6 | 169.2 | 144.3 | -4.1 | 112.2 | E165 E166 F171 S172 Q173 | E165-R169 WeakPolarHBondContact O-CB 3.49Å; E165-R169 PolarHBondContact O-N 2.8Å; E166-R169 WeakPolarHBondContact O-CB 3.44Å; E166-R169 PolarHBondContact O-N 2.88Å; E166-R169 VanDerWaalsContact O-N 3.15Å; R169-F171 VanDerWaalsContact C-N 3.32Å; R169-F171 PolarHBondContact O-N 3.04Å; R169-S172 PolarHBondContact O-N 2.84Å; R169-Q173 WeakPolarHBondContact O-CB 3.29Å; R169-Q173 WeakPolarHBondContact O-CG 3.48Å; R169-Q173 PolarHBondContact O-N 2.81Å |
| 170 | T | 87.8 | Confident | 86 | Confident | 75 Ų | 75 | 105.9 Ų | 105.9 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.5 | -35.9 | 176.5 | 56 | 0 | 0 | 0 | 0 | 112 | E166 K167 Q173 A174 | E166-T170 PolarHBondContact O-N 3.43Å; E166-T170 PolarHBondContact O-OG1 3.1Å; K167-T170 WeakPolarHBondContact CA-OG1 3.14Å; K167-T170 PolarHBondContact O-N 3.31Å; K167-T170 PolarHBondContact O-OG1 2.98Å; T170-Q173 PolarHBondContact O-N 3.01Å; T170-A174 WeakPolarHBondContact O-CB 3.24Å; T170-A174 PolarHBondContact O-N 2.82Å |
| 171 | F | 86.3 | Confident | 86.1 | Confident | 137 Ų | 137 | 106.5 Ų | 106.5 | 60% | 0.601 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.3 | -44.5 | 174.9 | -179.9 | -93.8 | 0 | 0 | 0 | 111.7 | K167 L168 R169 Q173 A174 Q175 | K167-F171 WeakPolarHBondContact O-CB 3.45Å; K167-F171 PolarHBondContact O-N 3.27Å; L168-F171 PolarHBondContact O-N 2.75Å; R169-F171 VanDerWaalsContact C-N 3.32Å; R169-F171 PolarHBondContact O-N 3.04Å; F171-Q173 VanDerWaalsContact C-N 3.31Å; F171-Q173 PolarHBondContact O-N 3.3Å; F171-A174 PolarHBondContact O-N 3.46Å; F171-Q175 WeakPolarHBondContact O-CB 3.18Å; F171-Q175 PolarHBondContact O-N 3.39Å |
| 172 | S | 83.3 | Confident | 86.2 | Confident | 69 Ų | 69 | 105.8 Ų | 105.8 | 48% | 0.483 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.7 | -33.8 | 174.3 | -62.9 | 0 | 0 | 0 | 0 | 112.8 | L168 R169 A176 | L168-S172 PolarHBondContact O-N 2.78Å; L168-S172 PolarHBondContact O-OG 2.85Å; R169-S172 PolarHBondContact O-N 2.84Å; S172-A176 WeakPolarHBondContact O-CB 3.27Å; S172-A176 PolarHBondContact O-N 3.36Å |
| 173 | Q | 86.5 | Confident | 86.1 | Confident | 96 Ų | 96 | 105.6 Ų | 105.6 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.5 | -44.3 | 172.4 | -74.7 | 177.6 | -35.3 | 0 | 0 | 111.7 | R169 T170 F171 A176 Q177 | R169-Q173 WeakPolarHBondContact O-CB 3.29Å; R169-Q173 WeakPolarHBondContact O-CG 3.48Å; R169-Q173 PolarHBondContact O-N 2.81Å; T170-Q173 PolarHBondContact O-N 3.01Å; F171-Q173 VanDerWaalsContact C-N 3.31Å; F171-Q173 PolarHBondContact O-N 3.3Å; Q173-A176 PolarHBondContact O-N 3.3Å; Q173-Q177 WeakPolarHBondContact O-CG 3.39Å; Q173-Q177 PolarHBondContact O-N 2.81Å |
| 174 | A | 86.1 | Confident | 85.9 | Confident | 33 Ų | 33 | 106.5 Ų | 106.5 | 27% | 0.273 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T170 F171 A176 Q177 F178 | T170-A174 WeakPolarHBondContact O-CB 3.24Å; T170-A174 PolarHBondContact O-N 2.82Å; F171-A174 PolarHBondContact O-N 3.46Å; A174-A176 PolarHBondContact O-N 2.83Å; A174-Q177 WeakPolarHBondContact O-CB 3.3Å; A174-Q177 PolarHBondContact O-N 3.31Å; A174-F178 WeakPolarHBondContact O-CD2 3.42Å; A174-F178 PolarHBondContact O-N 2.85Å |
| 175 | Q | 82.1 | Confident | 86.1 | Confident | 93 Ų | 93 | 103 Ų | 103 | 44% | 0.435 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 173 | -175.7 | -170.3 | -29.5 | 0 | 0 | 111.1 | F171 Q177 F178 E179 | F171-Q175 WeakPolarHBondContact O-CB 3.18Å; F171-Q175 PolarHBondContact O-N 3.39Å; Q175-Q177 VanDerWaalsContact C-N 3.3Å; Q175-Q177 PolarHBondContact O-N 2.83Å; Q175-F178 PolarHBondContact O-N 2.69Å; Q175-E179 PolarHBondContact NE2-OE1 2.78Å; Q175-E179 WeakPolarHBondContact O-CB 3.36Å; Q175-E179 WeakPolarHBondContact O-CG 3.39Å; Q175-E179 PolarHBondContact O-N 3.2Å |
| 176 | A | 85.1 | Confident | 85.9 | Confident | 56 Ų | 56 | 102.6 Ų | 102.6 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -37.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | S172 Q173 A174 Q180 | S172-A176 WeakPolarHBondContact O-CB 3.27Å; S172-A176 PolarHBondContact O-N 3.36Å; Q173-A176 PolarHBondContact O-N 3.3Å; A174-A176 PolarHBondContact O-N 2.83Å; A176-Q180 VanDerWaalsContact O-CB 3.29Å; A176-Q180 WeakPolarHBondContact O-CB 3.47Å; A176-Q180 PolarHBondContact O-N 2.76Å |
| 177 | Q | 85.6 | Confident | 85.8 | Confident | 115 Ų | 115 | 100.4 Ų | 100.4 | 54% | 0.537 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.2 | -52.7 | 172.7 | -74.2 | 169.1 | -28.2 | 0 | 0 | 111.5 | Q173 A174 Q175 E179 Q180 E181 | Q173-Q177 WeakPolarHBondContact O-CG 3.39Å; Q173-Q177 PolarHBondContact O-N 2.81Å; A174-Q177 WeakPolarHBondContact O-CB 3.3Å; A174-Q177 PolarHBondContact O-N 3.31Å; Q175-Q177 VanDerWaalsContact C-N 3.3Å; Q175-Q177 PolarHBondContact O-N 2.83Å; Q177-E179 VanDerWaalsContact C-N 3.28Å; Q177-E179 PolarHBondContact O-N 3.18Å; Q177-Q180 CarbonylContact O-C 3.59Å; Q177-Q180 WeakPolarHBondContact O-CA 3.31Å; Q177-Q180 WeakPolarHBondContact O-CB 3.48Å; Q177-Q180 PolarHBondContact O-N 2.77Å; Q177-E181 WeakPolarHBondContact O-CB 3.39Å; Q177-E181 WeakPolarHBondContact O-CG 3.34Å; Q177-E181 PolarHBondContact O-N 3.42Å |
| 178 | F | 84.9 | Confident | 85.8 | Confident | 145 Ų | 145 | 100.1 Ų | 100.1 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59 | -37 | 175.8 | -79.5 | -59.3 | 0 | 0 | 0 | 112.8 | A174 Q175 K182 | A174-F178 WeakPolarHBondContact O-CD2 3.42Å; A174-F178 PolarHBondContact O-N 2.85Å; Q175-F178 PolarHBondContact O-N 2.69Å; F178-K182 WeakPolarHBondContact O-CB 3.24Å; F178-K182 PolarHBondContact O-N 3.25Å |
| 179 | E | 84.7 | Confident | 85.8 | Confident | 79 Ų | 79 | 99.7 Ų | 99.7 | 37% | 0.369 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.6 | -36 | 173 | -84.1 | -167.4 | -138.7 | 0 | 0 | 112.9 | Q175 Q177 K183 | Q175-E179 PolarHBondContact NE2-OE1 2.78Å; Q175-E179 WeakPolarHBondContact O-CB 3.36Å; Q175-E179 WeakPolarHBondContact O-CG 3.39Å; Q175-E179 PolarHBondContact O-N 3.2Å; Q177-E179 VanDerWaalsContact C-N 3.28Å; Q177-E179 PolarHBondContact O-N 3.18Å; E179-K183 WeakPolarHBondContact O-CB 3.38Å; E179-K183 WeakPolarHBondContact O-CD 3.39Å; E179-K183 WeakPolarHBondContact O-CE 3.31Å; E179-K183 WeakPolarHBondContact O-CG 3.4Å; E179-K183 PolarHBondContact O-N 2.76Å; E179-K183 IonicContact OE2-NZ 3.58Å; E179-K183 PolarHBondContact OE2-NZ 3.36Å |
| 180 | Q | 86.9 | Confident | 85.6 | Confident | 141 Ų | 141 | 96.4 Ų | 96.4 | 66% | 0.659 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -72.4 | -43.3 | 176.8 | -177.7 | 172.8 | -7 | 0 | 0 | 111.4 | A176 Q177 K183 A184 | A176-Q180 VanDerWaalsContact O-CB 3.29Å; A176-Q180 WeakPolarHBondContact O-CB 3.47Å; A176-Q180 PolarHBondContact O-N 2.76Å; Q177-Q180 CarbonylContact O-C 3.59Å; Q177-Q180 WeakPolarHBondContact O-CA 3.31Å; Q177-Q180 WeakPolarHBondContact O-CB 3.48Å; Q177-Q180 PolarHBondContact O-N 2.77Å; Q180-K183 PolarHBondContact O-N 3.5Å; Q180-A184 WeakPolarHBondContact O-CB 3.39Å; Q180-A184 PolarHBondContact O-N 2.75Å |
| 181 | E | 85.6 | Confident | 85.4 | Confident | 115 Ų | 115 | 94.6 Ų | 94.6 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 173.2 | -71.9 | 171.3 | -175.5 | 0 | 0 | 111 | Q177 K183 A184 A185 | Q177-E181 WeakPolarHBondContact O-CB 3.39Å; Q177-E181 WeakPolarHBondContact O-CG 3.34Å; Q177-E181 PolarHBondContact O-N 3.42Å; E181-K183 VanDerWaalsContact C-N 3.33Å; E181-K183 PolarHBondContact O-N 3.38Å; E181-A184 PolarHBondContact O-N 3.5Å; E181-A185 WeakPolarHBondContact O-CB 3.19Å; E181-A185 PolarHBondContact O-N 2.82Å |
| 182 | K | 87 | Confident | 85.2 | Confident | 145 Ų | 145 | 92 Ų | 92 | 63% | 0.63 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.3 | -40 | 172.2 | 179.6 | 173 | 179.6 | 174.2 | 0 | 112.3 | F178 L186 | F178-K182 WeakPolarHBondContact O-CB 3.24Å; F178-K182 PolarHBondContact O-N 3.25Å; K182-L186 HydrophobicContact CG-CD1 4.08Å; K182-L186 VanDerWaalsContact O-CB 3.27Å; K182-L186 WeakPolarHBondContact O-CB 3.31Å; K182-L186 WeakPolarHBondContact O-CD1 3.43Å; K182-L186 WeakPolarHBondContact O-CG 3.26Å; K182-L186 PolarHBondContact O-N 3.35Å |
| 183 | K | 85.4 | Confident | 85 | Confident | 121 Ų | 121 | 93.5 Ų | 93.5 | 53% | 0.526 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.9 | -39 | 175.1 | -73.2 | 157.7 | -162.8 | 157.9 | 0 | 111.3 | E179 Q180 E181 E187 | E179-K183 WeakPolarHBondContact O-CB 3.38Å; E179-K183 WeakPolarHBondContact O-CD 3.39Å; E179-K183 WeakPolarHBondContact O-CE 3.31Å; E179-K183 WeakPolarHBondContact O-CG 3.4Å; E179-K183 PolarHBondContact O-N 2.76Å; E179-K183 IonicContact OE2-NZ 3.58Å; E179-K183 PolarHBondContact OE2-NZ 3.36Å; Q180-K183 PolarHBondContact O-N 3.5Å; E181-K183 VanDerWaalsContact C-N 3.33Å; E181-K183 PolarHBondContact O-N 3.38Å; K183-E187 PolarHBondContact O-N 2.81Å |
| 184 | A | 85.4 | Confident | 85 | Confident | 56 Ų | 56 | 94.5 Ų | 94.5 | 46% | 0.463 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.6 | -52.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q180 E181 L186 E187 E188 | Q180-A184 WeakPolarHBondContact O-CB 3.39Å; Q180-A184 PolarHBondContact O-N 2.75Å; E181-A184 PolarHBondContact O-N 3.5Å; A184-L186 VanDerWaalsContact C-N 3.26Å; A184-L186 PolarHBondContact O-N 3.48Å; A184-E187 CarbonylContact O-C 3.58Å; A184-E187 PolarHBondContact O-N 2.99Å; A184-E188 WeakPolarHBondContact O-CB 3.34Å; A184-E188 PolarHBondContact O-N 3.15Å |
| 185 | A | 85.5 | Confident | 84.8 | Confident | 55 Ų | 55 | 98.2 Ų | 98.2 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.4 | -34.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E181 L189 | E181-A185 WeakPolarHBondContact O-CB 3.19Å; E181-A185 PolarHBondContact O-N 2.82Å; A185-L189 WeakPolarHBondContact O-CB 3.3Å; A185-L189 PolarHBondContact O-N 2.89Å |
| 186 | L | 84.3 | Confident | 84.7 | Confident | 82 Ų | 82 | 98.8 Ų | 98.8 | 43% | 0.429 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.1 | -35.7 | 173.3 | -77.1 | 170.4 | 0 | 0 | 0 | 113.3 | K182 A184 K190 | K182-L186 HydrophobicContact CG-CD1 4.08Å; K182-L186 VanDerWaalsContact O-CB 3.27Å; K182-L186 WeakPolarHBondContact O-CB 3.31Å; K182-L186 WeakPolarHBondContact O-CD1 3.43Å; K182-L186 WeakPolarHBondContact O-CG 3.26Å; K182-L186 PolarHBondContact O-N 3.35Å; A184-L186 VanDerWaalsContact C-N 3.26Å; A184-L186 PolarHBondContact O-N 3.48Å; L186-K190 WeakPolarHBondContact O-CB 3.49Å; L186-K190 WeakPolarHBondContact O-CD 3.43Å; L186-K190 WeakPolarHBondContact O-CG 3.35Å; L186-K190 PolarHBondContact O-N 3.12Å |
| 187 | E | 86.4 | Confident | 84.6 | Confident | 86 Ų | 86 | 99.6 Ų | 99.6 | 40% | 0.402 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -77.1 | -29.3 | 172.8 | -78.3 | -53.9 | 138.3 | 0 | 0 | 113.1 | K183 A184 K190 A191 R194 | K183-E187 PolarHBondContact O-N 2.81Å; A184-E187 CarbonylContact O-C 3.58Å; A184-E187 PolarHBondContact O-N 2.99Å; E187-K190 CarbonylContact O-C 3.51Å; E187-K190 VanDerWaalsContact OE1-CD 3.27Å; E187-K190 WeakPolarHBondContact OE1-CD 3.25Å; E187-K190 WeakPolarHBondContact OE1-CE 3.36Å; E187-K190 IonicContact OE1-NZ 2.73Å; E187-K190 PolarHBondContact OE1-NZ 3.14Å; E187-A191 VanDerWaalsContact O-CB 3.23Å; E187-A191 WeakPolarHBondContact O-CB 3.45Å; E187-A191 PolarHBondContact O-N 2.83Å; E187-R194 PolarHBondContact O-NH2 3.31Å; E187-R194 IonicContact OE2-CZ 3.83Å; E187-R194 IonicContact OE2-NH1 2.76Å; E187-R194 PolarHBondContact OE2-NH1 3.1Å; E187-R194 IonicContact OE2-NH2 3.18Å; E187-R194 PolarHBondContact OE2-NH2 3.18Å |
| 188 | E | 88.1 | Confident | 84.4 | Confident | 119 Ų | 119 | 99 Ų | 99 | 56% | 0.556 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.2 | -48.6 | 171.2 | -176.1 | 171 | -171.1 | 0 | 0 | 110.9 | A184 K190 A191 Q192 | A184-E188 WeakPolarHBondContact O-CB 3.34Å; A184-E188 PolarHBondContact O-N 3.15Å; E188-K190 VanDerWaalsContact C-N 3.3Å; E188-K190 PolarHBondContact O-N 3Å; E188-A191 CarbonylContact O-C 3.6Å; E188-A191 WeakPolarHBondContact O-CA 3.35Å; E188-A191 WeakPolarHBondContact O-CB 3.35Å; E188-A191 PolarHBondContact O-N 3.5Å; E188-Q192 WeakPolarHBondContact O-CG 3.48Å; E188-Q192 PolarHBondContact O-N 2.83Å |
| 189 | L | 85.3 | Confident | 84.2 | Confident | 106 Ų | 106 | 98 Ų | 98 | 56% | 0.555 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.9 | -39.2 | 174.1 | -175.9 | 65.2 | 0 | 0 | 0 | 111.4 | A185 A191 H193 | A185-L189 WeakPolarHBondContact O-CB 3.3Å; A185-L189 PolarHBondContact O-N 2.89Å; L189-A191 VanDerWaalsContact C-N 3.32Å; L189-H193 VanDerWaalsContact O-CB 3.23Å; L189-H193 WeakPolarHBondContact O-CB 3.48Å; L189-H193 PolarHBondContact O-N 2.87Å |
| 190 | K | 85.1 | Confident | 83.9 | Confident | 100 Ų | 100 | 99.9 Ų | 99.9 | 44% | 0.435 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.4 | -32.2 | 169.6 | -71.4 | 167.1 | -161.2 | 175.1 | 0 | 112.2 | L186 E187 E188 R194 | L186-K190 WeakPolarHBondContact O-CB 3.49Å; L186-K190 WeakPolarHBondContact O-CD 3.43Å; L186-K190 WeakPolarHBondContact O-CG 3.35Å; L186-K190 PolarHBondContact O-N 3.12Å; E187-K190 CarbonylContact O-C 3.51Å; E187-K190 VanDerWaalsContact OE1-CD 3.27Å; E187-K190 WeakPolarHBondContact OE1-CD 3.25Å; E187-K190 WeakPolarHBondContact OE1-CE 3.36Å; E187-K190 IonicContact OE1-NZ 2.73Å; E187-K190 PolarHBondContact OE1-NZ 3.14Å; E188-K190 VanDerWaalsContact C-N 3.3Å; E188-K190 PolarHBondContact O-N 3Å; K190-R194 VanDerWaalsContact C-NE 3.34Å; K190-R194 VanDerWaalsContact CB-NH2 3.27Å; K190-R194 WeakPolarHBondContact O-CB 3.49Å; K190-R194 WeakPolarHBondContact O-CD 3.3Å; K190-R194 WeakPolarHBondContact O-CG 3.25Å; K190-R194 PolarHBondContact O-N 2.77Å; K190-R194 PolarHBondContact O-NE 3.41Å |
| 191 | A | 84.3 | Confident | 83.4 | Confident | 38 Ų | 38 | 97.5 Ų | 97.5 | 31% | 0.314 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71 | -46 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | E187 E188 L189 R194 Q195 | E187-A191 VanDerWaalsContact O-CB 3.23Å; E187-A191 WeakPolarHBondContact O-CB 3.45Å; E187-A191 PolarHBondContact O-N 2.83Å; E188-A191 CarbonylContact O-C 3.6Å; E188-A191 WeakPolarHBondContact O-CA 3.35Å; E188-A191 WeakPolarHBondContact O-CB 3.35Å; E188-A191 PolarHBondContact O-N 3.5Å; L189-A191 VanDerWaalsContact C-N 3.32Å; A191-R194 CarbonylContact O-C 3.54Å; A191-R194 PolarHBondContact O-N 3.34Å; A191-Q195 WeakPolarHBondContact O-CG 3.26Å; A191-Q195 PolarHBondContact O-N 3.11Å |
| 192 | Q | 82.9 | Confident | 83 | Confident | 83 Ų | 83 | 99.2 Ų | 99.2 | 39% | 0.388 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -55.7 | -51.9 | 169.5 | -68.1 | 170.1 | 1.8 | 0 | 0 | 109.9 | E188 R194 Q195 E196 | E188-Q192 WeakPolarHBondContact O-CG 3.48Å; E188-Q192 PolarHBondContact O-N 2.83Å; Q192-R194 VanDerWaalsContact C-N 3.32Å; Q192-R194 PolarHBondContact O-N 3.49Å; Q192-Q195 CarbonylContact O-C 3.57Å; Q192-Q195 WeakPolarHBondContact O-CA 3.46Å; Q192-Q195 WeakPolarHBondContact O-CB 3.48Å; Q192-Q195 PolarHBondContact O-N 2.79Å; Q192-E196 WeakPolarHBondContact O-CG 3.45Å; Q192-E196 PolarHBondContact O-N 3.47Å |
| 193 | H | 78.1 | Confident | 82.2 | Confident | 100 Ų | 100 | 94.6 Ų | 94.6 | 46% | 0.463 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63 | -33.8 | 176.9 | -168.4 | 53.8 | 0 | 0 | 0 | 113.8 | L189 Q195 E196 I197 | L189-H193 VanDerWaalsContact O-CB 3.23Å; L189-H193 WeakPolarHBondContact O-CB 3.48Å; L189-H193 PolarHBondContact O-N 2.87Å; H193-Q195 VanDerWaalsContact C-N 3.35Å; H193-E196 IonicContact CG-OE2 2.69Å; H193-E196 IonicContact ND1-OE2 3.17Å; H193-E196 PolarHBondContact ND1-OE2 2.81Å; H193-I197 WeakPolarHBondContact O-CB 3.33Å; H193-I197 VanDerWaalsContact O-CG1 3.27Å; H193-I197 WeakPolarHBondContact O-CG1 3.39Å; H193-I197 PolarHBondContact O-N 2.73Å |
| 194 | R | 85.9 | Confident | 81.5 | Confident | 116 Ų | 116 | 94 Ų | 94 | 44% | 0.438 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.3 | -32.5 | 171.1 | -77.2 | 170.4 | -68.8 | -148.9 | 2.2 | 111.8 | E187 K190 A191 Q192 Q198 | E187-R194 PolarHBondContact O-NH2 3.31Å; E187-R194 IonicContact OE2-CZ 3.83Å; E187-R194 IonicContact OE2-NH1 2.76Å; E187-R194 PolarHBondContact OE2-NH1 3.1Å; E187-R194 IonicContact OE2-NH2 3.18Å; E187-R194 PolarHBondContact OE2-NH2 3.18Å; K190-R194 VanDerWaalsContact C-NE 3.34Å; K190-R194 VanDerWaalsContact CB-NH2 3.27Å; K190-R194 WeakPolarHBondContact O-CB 3.49Å; K190-R194 WeakPolarHBondContact O-CD 3.3Å; K190-R194 WeakPolarHBondContact O-CG 3.25Å; K190-R194 PolarHBondContact O-N 2.77Å; K190-R194 PolarHBondContact O-NE 3.41Å; A191-R194 CarbonylContact O-C 3.54Å; A191-R194 PolarHBondContact O-N 3.34Å; Q192-R194 VanDerWaalsContact C-N 3.32Å; Q192-R194 PolarHBondContact O-N 3.49Å; R194-Q198 WeakPolarHBondContact O-CB 3.27Å; R194-Q198 VanDerWaalsContact O-CG 3.23Å; R194-Q198 WeakPolarHBondContact O-CG 3.24Å; R194-Q198 PolarHBondContact O-N 3.29Å; R194-Q198 VanDerWaalsContact O-N 3.11Å |
| 195 | Q | 82.7 | Confident | 80.9 | Confident | 111 Ų | 111 | 97.3 Ų | 97.3 | 52% | 0.519 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -73.1 | -48.6 | 172.6 | -74 | 174.1 | -60.2 | 0 | 0 | 111.1 | A191 Q192 H193 I197 Q198 E199 | A191-Q195 WeakPolarHBondContact O-CG 3.26Å; A191-Q195 PolarHBondContact O-N 3.11Å; Q192-Q195 CarbonylContact O-C 3.57Å; Q192-Q195 WeakPolarHBondContact O-CA 3.46Å; Q192-Q195 WeakPolarHBondContact O-CB 3.48Å; Q192-Q195 PolarHBondContact O-N 2.79Å; H193-Q195 VanDerWaalsContact C-N 3.35Å; Q195-I197 VanDerWaalsContact C-N 3.32Å; Q195-I197 PolarHBondContact O-N 3.38Å; Q195-Q198 CarbonylContact O-C 3.59Å; Q195-Q198 WeakPolarHBondContact O-CA 3.35Å; Q195-Q198 WeakPolarHBondContact O-CB 3.26Å; Q195-Q198 PolarHBondContact O-N 2.79Å; Q195-E199 WeakPolarHBondContact O-CB 3.37Å; Q195-E199 WeakPolarHBondContact O-CG 3.3Å; Q195-E199 PolarHBondContact O-N 2.67Å |
| 196 | E | 79.4 | Confident | 80.4 | Confident | 105 Ų | 105 | 97.4 Ų | 97.4 | 49% | 0.491 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -53.1 | -46.9 | 172.3 | -70.2 | 171.8 | 168.5 | 0 | 0 | 111.4 | Q192 H193 Q198 E199 L200 | Q192-E196 WeakPolarHBondContact O-CG 3.45Å; Q192-E196 PolarHBondContact O-N 3.47Å; H193-E196 IonicContact CG-OE2 2.69Å; H193-E196 IonicContact ND1-OE2 3.17Å; H193-E196 PolarHBondContact ND1-OE2 2.81Å; E196-Q198 VanDerWaalsContact C-N 3.34Å; E196-Q198 PolarHBondContact O-N 3.29Å; E196-E199 PolarHBondContact O-N 2.82Å; E196-L200 VanDerWaalsContact O-CB 3.23Å; E196-L200 WeakPolarHBondContact O-CB 3.19Å; E196-L200 VanDerWaalsContact O-CG 3.24Å; E196-L200 WeakPolarHBondContact O-CG 3.45Å; E196-L200 PolarHBondContact O-N 3.36Å |
| 197 | I | 83.1 | Confident | 79.5 | Confident | 73 Ų | 73 | 98.7 Ų | 98.7 | 37% | 0.374 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 174.8 | -74 | 168.7 | 0 | 0 | 0 | 110.9 | H193 Q195 E199 L201 | H193-I197 WeakPolarHBondContact O-CB 3.33Å; H193-I197 VanDerWaalsContact O-CG1 3.27Å; H193-I197 WeakPolarHBondContact O-CG1 3.39Å; H193-I197 PolarHBondContact O-N 2.73Å; Q195-I197 VanDerWaalsContact C-N 3.32Å; Q195-I197 PolarHBondContact O-N 3.38Å; I197-E199 VanDerWaalsContact C-N 3.35Å; I197-L201 HydrophobicContact CG2-CD1 3.8Å; I197-L201 HydrophobicContact CG2-CG 4.38Å; I197-L201 WeakPolarHBondContact O-CB 3.42Å; I197-L201 WeakPolarHBondContact O-CD1 3.42Å; I197-L201 WeakPolarHBondContact O-CG 3.18Å; I197-L201 PolarHBondContact O-N 3.45Å |
| 198 | Q | 80.9 | Confident | 78.6 | Confident | 103 Ų | 103 | 99.1 Ų | 99.1 | 48% | 0.481 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.9 | -29.7 | 176 | -76 | 176.2 | 33.7 | 0 | 0 | 113.3 | R194 Q195 E196 R202 | R194-Q198 WeakPolarHBondContact O-CB 3.27Å; R194-Q198 VanDerWaalsContact O-CG 3.23Å; R194-Q198 WeakPolarHBondContact O-CG 3.24Å; R194-Q198 PolarHBondContact O-N 3.29Å; R194-Q198 VanDerWaalsContact O-N 3.11Å; Q195-Q198 CarbonylContact O-C 3.59Å; Q195-Q198 WeakPolarHBondContact O-CA 3.35Å; Q195-Q198 WeakPolarHBondContact O-CB 3.26Å; Q195-Q198 PolarHBondContact O-N 2.79Å; E196-Q198 VanDerWaalsContact C-N 3.34Å; E196-Q198 PolarHBondContact O-N 3.29Å; Q198-R202 VanDerWaalsContact O-CB 3.27Å; Q198-R202 WeakPolarHBondContact O-CB 3.38Å; Q198-R202 VanDerWaalsContact O-CG 3.24Å; Q198-R202 WeakPolarHBondContact O-CG 3.35Å; Q198-R202 PolarHBondContact O-N 2.75Å |
| 199 | E | 80.9 | Confident | 77.6 | Confident | 123 Ų | 123 | 95.5 Ų | 95.5 | 58% | 0.575 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -82.4 | -35.6 | 177.9 | -73.7 | -178 | -177 | 0 | 0 | 111.6 | Q195 E196 I197 R202 S203 | Q195-E199 WeakPolarHBondContact O-CB 3.37Å; Q195-E199 WeakPolarHBondContact O-CG 3.3Å; Q195-E199 PolarHBondContact O-N 2.67Å; E196-E199 PolarHBondContact O-N 2.82Å; I197-E199 VanDerWaalsContact C-N 3.35Å; E199-R202 PolarHBondContact O-N 2.87Å; E199-S203 WeakPolarHBondContact O-CA 3.34Å; E199-S203 WeakPolarHBondContact O-CB 3.44Å; E199-S203 PolarHBondContact O-N 3.21Å |
| 200 | L | 78.4 | Confident | 77 | Confident | 119 Ų | 119 | 94.3 Ų | 94.3 | 62% | 0.623 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65.9 | -40.2 | 166.4 | -72.8 | 169.6 | 0 | 0 | 0 | 111 | E196 S203 H204 | E196-L200 VanDerWaalsContact O-CB 3.23Å; E196-L200 WeakPolarHBondContact O-CB 3.19Å; E196-L200 VanDerWaalsContact O-CG 3.24Å; E196-L200 WeakPolarHBondContact O-CG 3.45Å; E196-L200 PolarHBondContact O-N 3.36Å; L200-S203 PolarHBondContact O-N 3.4Å; L200-H204 WeakPolarHBondContact O-CB 3.16Å; L200-H204 PolarHBondContact O-N 2.9Å |
| 201 | L | 76 | Confident | 76 | Confident | 91 Ų | 91 | 97.9 Ų | 97.9 | 48% | 0.476 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.6 | -39.8 | 173.3 | -75.4 | 170.1 | 0 | 0 | 0 | 112 | I197 Q205 | I197-L201 HydrophobicContact CG2-CD1 3.8Å; I197-L201 HydrophobicContact CG2-CG 4.38Å; I197-L201 WeakPolarHBondContact O-CB 3.42Å; I197-L201 WeakPolarHBondContact O-CD1 3.42Å; I197-L201 WeakPolarHBondContact O-CG 3.18Å; I197-L201 PolarHBondContact O-N 3.45Å; L201-Q205 WeakPolarHBondContact O-CB 3.45Å; L201-Q205 WeakPolarHBondContact O-CG 3.25Å; L201-Q205 PolarHBondContact O-N 3.21Å |
| 202 | R | 78.5 | Confident | 75.3 | Confident | 152 Ų | 152 | 99.3 Ų | 99.3 | 57% | 0.574 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.1 | -38.4 | 172.2 | -81.4 | 179 | -178.3 | 124.2 | 2.1 | 112.3 | Q198 E199 Q205 S206 | Q198-R202 VanDerWaalsContact O-CB 3.27Å; Q198-R202 WeakPolarHBondContact O-CB 3.38Å; Q198-R202 VanDerWaalsContact O-CG 3.24Å; Q198-R202 WeakPolarHBondContact O-CG 3.35Å; Q198-R202 PolarHBondContact O-N 2.75Å; E199-R202 PolarHBondContact O-N 2.87Å; R202-Q205 PolarHBondContact O-N 2.75Å; R202-S206 VanDerWaalsContact O-CB 3.27Å; R202-S206 WeakPolarHBondContact O-CB 3.39Å; R202-S206 PolarHBondContact O-N 2.64Å; R202-S206 PolarHBondContact O-OG 3.1Å |
| 203 | S | 70.4 | Confident | 74.7 | Confident | 47 Ų | 47 | 100.7 Ų | 100.7 | 33% | 0.329 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.8 | -49.7 | 175.8 | -176 | 0 | 0 | 0 | 0 | 109.8 | E199 L200 Q205 S206 Q207 | E199-S203 WeakPolarHBondContact O-CA 3.34Å; E199-S203 WeakPolarHBondContact O-CB 3.44Å; E199-S203 PolarHBondContact O-N 3.21Å; L200-S203 PolarHBondContact O-N 3.4Å; S203-Q205 VanDerWaalsContact C-N 3.33Å; S203-Q205 PolarHBondContact O-N 2.92Å; S203-S206 PolarHBondContact O-N 3.3Å; S203-S206 PolarHBondContact O-OG 2.79Å; S203-Q207 VanDerWaalsContact O-CB 3.23Å; S203-Q207 WeakPolarHBondContact O-CB 3.44Å; S203-Q207 VanDerWaalsContact O-CG 3.23Å; S203-Q207 WeakPolarHBondContact O-CG 3.25Å; S203-Q207 PolarHBondContact O-N 3.32Å |
| 204 | H | 70.8 | Confident | 74 | Confident | 110 Ų | 110 | 99.8 Ų | 99.8 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.7 | -36.3 | 174 | -173.1 | -71.4 | 0 | 0 | 0 | 112.3 | L200 N208 | L200-H204 WeakPolarHBondContact O-CB 3.16Å; L200-H204 PolarHBondContact O-N 2.9Å; H204-N208 VanDerWaalsContact O-CB 3.27Å; H204-N208 WeakPolarHBondContact O-CB 3.26Å; H204-N208 PolarHBondContact O-N 3.12Å |
| 205 | Q | 72.1 | Confident | 73 | Confident | 125 Ų | 125 | 101 Ų | 101 | 58% | 0.584 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -70.8 | -36.7 | 173.9 | -77.1 | 170.2 | 6.5 | 0 | 0 | 112.5 | L201 R202 S203 A209 | L201-Q205 WeakPolarHBondContact O-CB 3.45Å; L201-Q205 WeakPolarHBondContact O-CG 3.25Å; L201-Q205 PolarHBondContact O-N 3.21Å; R202-Q205 PolarHBondContact O-N 2.75Å; S203-Q205 VanDerWaalsContact C-N 3.33Å; S203-Q205 PolarHBondContact O-N 2.92Å; Q205-A209 VanDerWaalsContact O-CB 3.23Å; Q205-A209 WeakPolarHBondContact O-CB 3.13Å; Q205-A209 PolarHBondContact O-N 3.46Å |
| 206 | S | 74.3 | Confident | 72.3 | Confident | 56 Ų | 56 | 100.9 Ų | 100.9 | 39% | 0.392 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74.8 | -35.7 | 176.1 | 75.5 | 0 | 0 | 0 | 0 | 111.6 | R202 S203 A209 N210 | R202-S206 VanDerWaalsContact O-CB 3.27Å; R202-S206 WeakPolarHBondContact O-CB 3.39Å; R202-S206 PolarHBondContact O-N 2.64Å; R202-S206 PolarHBondContact O-OG 3.1Å; S203-S206 PolarHBondContact O-N 3.3Å; S203-S206 PolarHBondContact O-OG 2.79Å; S206-A209 PolarHBondContact O-N 3.24Å; S206-N210 VanDerWaalsContact O-CB 3.29Å; S206-N210 WeakPolarHBondContact O-CB 3.22Å; S206-N210 PolarHBondContact O-N 3.41Å; S206-N210 PolarHBondContact O-ND2 2.88Å |
| 207 | Q | 65.3 | Low | 72 | Confident | 110 Ų | 110 | 101.2 Ų | 101.2 | 51% | 0.514 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 170 | -73 | 178.5 | 2 | 0 | 0 | 110.9 | S203 N210 Y211 | S203-Q207 VanDerWaalsContact O-CB 3.23Å; S203-Q207 WeakPolarHBondContact O-CB 3.44Å; S203-Q207 VanDerWaalsContact O-CG 3.23Å; S203-Q207 WeakPolarHBondContact O-CG 3.25Å; S203-Q207 PolarHBondContact O-N 3.32Å; Q207-N210 PolarHBondContact O-N 3.38Å; Q207-Y211 VanDerWaalsContact O-CB 3.31Å; Q207-Y211 WeakPolarHBondContact O-CB 3.19Å; Q207-Y211 PolarHBondContact O-N 3.16Å |
| 208 | N | 68.6 | Low | 71.6 | Confident | 95 Ų | 95 | 101.9 Ų | 101.9 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.5 | -36.4 | 170.5 | -100.1 | -3.2 | 0 | 0 | 0 | 112.3 | H204 N210 S212 | H204-N208 VanDerWaalsContact O-CB 3.27Å; H204-N208 WeakPolarHBondContact O-CB 3.26Å; H204-N208 PolarHBondContact O-N 3.12Å; N208-N210 VanDerWaalsContact C-N 3.34Å; N208-S212 WeakPolarHBondContact O-CA 3.38Å; N208-S212 WeakPolarHBondContact O-CB 3.29Å; N208-S212 PolarHBondContact O-N 2.96Å |
| 209 | A | 67.8 | Low | 71.2 | Confident | 42 Ų | 42 | 98.8 Ų | 98.8 | 35% | 0.347 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.5 | -33.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q205 S206 K213 | Q205-A209 VanDerWaalsContact O-CB 3.23Å; Q205-A209 WeakPolarHBondContact O-CB 3.13Å; Q205-A209 PolarHBondContact O-N 3.46Å; S206-A209 PolarHBondContact O-N 3.24Å; A209-K213 WeakPolarHBondContact O-CB 3.49Å; A209-K213 WeakPolarHBondContact O-CD 3.4Å; A209-K213 WeakPolarHBondContact O-CG 3.33Å; A209-K213 PolarHBondContact O-N 2.74Å |
| 210 | N | 72.3 | Confident | 70.9 | Confident | 82 Ų | 82 | 98.4 Ų | 98.4 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -76.1 | -47.4 | 174.2 | -70.2 | -15.3 | 0 | 0 | 0 | 110.9 | S206 Q207 N208 S212 K213 D214 | S206-N210 VanDerWaalsContact O-CB 3.29Å; S206-N210 WeakPolarHBondContact O-CB 3.22Å; S206-N210 PolarHBondContact O-N 3.41Å; S206-N210 PolarHBondContact O-ND2 2.88Å; Q207-N210 PolarHBondContact O-N 3.38Å; N208-N210 VanDerWaalsContact C-N 3.34Å; N210-S212 VanDerWaalsContact C-N 3.29Å; N210-S212 PolarHBondContact O-N 2.78Å; N210-K213 CarbonylContact O-C 3.56Å; N210-K213 PolarHBondContact O-N 3.42Å; N210-K213 VanDerWaalsContact O-N 3.08Å; N210-D214 VanDerWaalsContact O-CB 3.31Å; N210-D214 WeakPolarHBondContact O-CB 3.14Å; N210-D214 VanDerWaalsContact O-CG 3.24Å; N210-D214 PolarHBondContact O-N 2.78Å |
| 211 | Y | 64.1 | Low | 70.7 | Confident | 175 Ų | 175 | 98.2 Ų | 98.2 | 69% | 0.686 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -56.1 | -42.2 | 170.4 | -104.4 | -85.8 | 0 | 0 | 0 | 111.6 | Q207 D214 Q215 | Q207-Y211 VanDerWaalsContact O-CB 3.31Å; Q207-Y211 WeakPolarHBondContact O-CB 3.19Å; Q207-Y211 PolarHBondContact O-N 3.16Å; Y211-D214 PolarHBondContact O-N 2.84Å; Y211-Q215 WeakPolarHBondContact O-CA 3.35Å; Y211-Q215 WeakPolarHBondContact O-CB 3.42Å; Y211-Q215 PolarHBondContact O-N 3.03Å |
| 212 | S | 68.8 | Low | 70.6 | Confident | 67 Ų | 67 | 98.8 Ų | 98.8 | 47% | 0.469 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 175.4 | -179.7 | 0 | 0 | 0 | 0 | 111.5 | N208 N210 E216 | N208-S212 WeakPolarHBondContact O-CA 3.38Å; N208-S212 WeakPolarHBondContact O-CB 3.29Å; N208-S212 PolarHBondContact O-N 2.96Å; N210-S212 VanDerWaalsContact C-N 3.29Å; N210-S212 PolarHBondContact O-N 2.78Å; S212-E216 WeakPolarHBondContact O-CB 3.36Å; S212-E216 PolarHBondContact O-N 2.75Å |
| 213 | K | 69.9 | Low | 70.8 | Confident | 113 Ų | 113 | 97.3 Ų | 97.3 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.8 | -32.3 | 174.3 | -78.4 | 170 | -177.9 | 174.2 | 0 | 113.3 | A209 N210 K217 | A209-K213 WeakPolarHBondContact O-CB 3.49Å; A209-K213 WeakPolarHBondContact O-CD 3.4Å; A209-K213 WeakPolarHBondContact O-CG 3.33Å; A209-K213 PolarHBondContact O-N 2.74Å; N210-K213 CarbonylContact O-C 3.56Å; N210-K213 PolarHBondContact O-N 3.42Å; N210-K213 VanDerWaalsContact O-N 3.08Å; K213-K217 WeakPolarHBondContact O-CB 3.44Å; K213-K217 WeakPolarHBondContact O-CG 3.21Å; K213-K217 PolarHBondContact O-N 3.3Å |
| 214 | D | 64.4 | Low | 71.2 | Confident | 80 Ų | 80 | 97.6 Ų | 97.6 | 43% | 0.428 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -85.4 | -31.5 | -178.2 | -67.3 | -27.9 | 0 | 0 | 0 | 110.9 | N210 Y211 K217 L218 | N210-D214 VanDerWaalsContact O-CB 3.31Å; N210-D214 WeakPolarHBondContact O-CB 3.14Å; N210-D214 VanDerWaalsContact O-CG 3.24Å; N210-D214 PolarHBondContact O-N 2.78Å; Y211-D214 PolarHBondContact O-N 2.84Å; D214-K217 WeakPolarHBondContact OD1-CD 3.37Å; D214-K217 WeakPolarHBondContact OD1-CE 3.23Å; D214-K217 IonicContact OD1-NZ 2.78Å; D214-K217 PolarHBondContact OD1-NZ 3.29Å; D214-L218 WeakPolarHBondContact O-CB 3.31Å; D214-L218 PolarHBondContact O-N 2.86Å |
| 215 | Q | 64.3 | Low | 71.6 | Confident | 141 Ų | 141 | 98 Ų | 98 | 66% | 0.659 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68 | -35.3 | 164 | -174.2 | 178.4 | 18.4 | 0 | 0 | 111.3 | Y211 G219 | Y211-Q215 WeakPolarHBondContact O-CA 3.35Å; Y211-Q215 WeakPolarHBondContact O-CB 3.42Å; Y211-Q215 PolarHBondContact O-N 3.03Å; Q215-G219 WeakPolarHBondContact O-CA 3.4Å; Q215-G219 PolarHBondContact O-N 3.09Å |
| 216 | E | 68 | Low | 72 | Confident | 109 Ų | 109 | 96.5 Ų | 96.5 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71 | -44.4 | 172.7 | -176 | 178 | -161.9 | 0 | 0 | 111.3 | S212 G219 Q220 | S212-E216 WeakPolarHBondContact O-CB 3.36Å; S212-E216 PolarHBondContact O-N 2.75Å; E216-G219 CarbonylContact O-C 3.58Å; E216-G219 PolarHBondContact O-N 2.8Å; E216-Q220 WeakPolarHBondContact O-CB 3.32Å; E216-Q220 VanDerWaalsContact O-CG 3.24Å; E216-Q220 WeakPolarHBondContact O-CG 3.49Å; E216-Q220 PolarHBondContact O-N 2.93Å; E216-Q220 PolarHBondContact OE1-NE2 2.78Å |
| 217 | K | 72.8 | Confident | 72.3 | Confident | 112 Ų | 112 | 98.6 Ų | 98.6 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 170.9 | -74.3 | 166.3 | -154.6 | 164.5 | 0 | 111.5 | K213 D214 G219 Q220 L221 | K213-K217 WeakPolarHBondContact O-CB 3.44Å; K213-K217 WeakPolarHBondContact O-CG 3.21Å; K213-K217 PolarHBondContact O-N 3.3Å; D214-K217 WeakPolarHBondContact OD1-CD 3.37Å; D214-K217 WeakPolarHBondContact OD1-CE 3.23Å; D214-K217 IonicContact OD1-NZ 2.78Å; D214-K217 PolarHBondContact OD1-NZ 3.29Å; K217-G219 VanDerWaalsContact C-N 3.31Å; K217-Q220 CarbonylContact O-C 3.54Å; K217-Q220 PolarHBondContact O-N 2.68Å; K217-L221 WeakPolarHBondContact O-CB 3.42Å; K217-L221 VanDerWaalsContact O-CG 3.28Å; K217-L221 WeakPolarHBondContact O-CG 3.27Å; K217-L221 PolarHBondContact O-N 2.64Å |
| 218 | L | 75.1 | Confident | 73.2 | Confident | 88 Ų | 88 | 96.7 Ų | 96.7 | 46% | 0.461 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.3 | -37.7 | 177.1 | -174.4 | 64.8 | 0 | 0 | 0 | 110.9 | D214 L221 H222 | D214-L218 WeakPolarHBondContact O-CB 3.31Å; D214-L218 PolarHBondContact O-N 2.86Å; L218-L221 PolarHBondContact O-N 3.24Å; L218-H222 VanDerWaalsContact O-CB 3.29Å; L218-H222 WeakPolarHBondContact O-CB 3.2Å; L218-H222 PolarHBondContact O-N 3.48Å; L218-H222 PolarHBondContact O-ND1 2.85Å |
| 219 | G | 71.4 | Confident | 73.8 | Confident | 38 Ų | 38 | 97.2 Ų | 97.2 | 39% | 0.392 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q215 E216 K217 K223 | Q215-G219 WeakPolarHBondContact O-CA 3.4Å; Q215-G219 PolarHBondContact O-N 3.09Å; E216-G219 CarbonylContact O-C 3.58Å; E216-G219 PolarHBondContact O-N 2.8Å; K217-G219 VanDerWaalsContact C-N 3.31Å; G219-K223 WeakPolarHBondContact O-CB 3.16Å; G219-K223 PolarHBondContact O-N 3.39Å |
| 220 | Q | 74.7 | Confident | 74.3 | Confident | 114 Ų | 114 | 97.8 Ų | 97.8 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71 | -37.4 | 174.9 | -73.4 | 173.5 | 15 | 0 | 0 | 111.8 | E216 K217 K223 A224 | E216-Q220 WeakPolarHBondContact O-CB 3.32Å; E216-Q220 VanDerWaalsContact O-CG 3.24Å; E216-Q220 WeakPolarHBondContact O-CG 3.49Å; E216-Q220 PolarHBondContact O-N 2.93Å; E216-Q220 PolarHBondContact OE1-NE2 2.78Å; K217-Q220 CarbonylContact O-C 3.54Å; K217-Q220 PolarHBondContact O-N 2.68Å; Q220-K223 PolarHBondContact O-N 2.78Å; Q220-A224 VanDerWaalsContact O-CB 3.28Å; Q220-A224 WeakPolarHBondContact O-CB 3.27Å; Q220-A224 PolarHBondContact O-N 3.05Å |
| 221 | L | 76 | Confident | 74.9 | Confident | 115 Ų | 115 | 100.5 Ų | 100.5 | 60% | 0.602 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.2 | -51.9 | 174.3 | -74.9 | 169.2 | 0 | 0 | 0 | 111 | K217 L218 K223 A224 E225 | K217-L221 WeakPolarHBondContact O-CB 3.42Å; K217-L221 VanDerWaalsContact O-CG 3.28Å; K217-L221 WeakPolarHBondContact O-CG 3.27Å; K217-L221 PolarHBondContact O-N 2.64Å; L218-L221 PolarHBondContact O-N 3.24Å; L221-K223 PolarHBondContact O-N 2.81Å; L221-A224 PolarHBondContact O-N 3.23Å; L221-E225 VanDerWaalsContact O-CB 3.24Å; L221-E225 WeakPolarHBondContact O-CB 3.47Å; L221-E225 PolarHBondContact O-N 3.22Å |
| 222 | H | 73.4 | Confident | 75.8 | Confident | 103 Ų | 103 | 98.5 Ų | 98.5 | 48% | 0.477 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.1 | -36.3 | 173.1 | -69.4 | 160.1 | 0 | 0 | 0 | 111.7 | L218 V226 | L218-H222 VanDerWaalsContact O-CB 3.29Å; L218-H222 WeakPolarHBondContact O-CB 3.2Å; L218-H222 PolarHBondContact O-N 3.48Å; L218-H222 PolarHBondContact O-ND1 2.85Å; H222-V226 VanDerWaalsContact O-CB 3.25Å; H222-V226 WeakPolarHBondContact O-CB 3.26Å; H222-V226 WeakPolarHBondContact O-CG2 3.33Å; H222-V226 PolarHBondContact O-N 3.5Å |
| 223 | K | 81.6 | Confident | 76.4 | Confident | 122 Ų | 122 | 98.9 Ų | 98.9 | 53% | 0.53 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.2 | -48.6 | 174.7 | 179.3 | 178.5 | 170.3 | -175.7 | 0 | 111.5 | G219 Q220 L221 E225 V226 E227 | G219-K223 WeakPolarHBondContact O-CB 3.16Å; G219-K223 PolarHBondContact O-N 3.39Å; Q220-K223 PolarHBondContact O-N 2.78Å; L221-K223 PolarHBondContact O-N 2.81Å; K223-E225 VanDerWaalsContact C-N 3.29Å; K223-E225 PolarHBondContact O-N 2.83Å; K223-V226 PolarHBondContact O-N 2.78Å; K223-E227 VanDerWaalsContact CE-CD 3.41Å; K223-E227 WeakPolarHBondContact CE-OE1 3.21Å; K223-E227 HydrophobicContact CG-CG 4.36Å; K223-E227 IonicContact NZ-OE1 2.83Å; K223-E227 WeakPolarHBondContact O-CB 3.24Å; K223-E227 VanDerWaalsContact O-CG 3.3Å; K223-E227 WeakPolarHBondContact O-CG 3.31Å; K223-E227 PolarHBondContact O-N 3Å |
| 224 | A | 79.3 | Confident | 77 | Confident | 53 Ų | 53 | 97.6 Ų | 97.6 | 44% | 0.438 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.9 | -33.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q220 L221 S228 | Q220-A224 VanDerWaalsContact O-CB 3.28Å; Q220-A224 WeakPolarHBondContact O-CB 3.27Å; Q220-A224 PolarHBondContact O-N 3.05Å; L221-A224 PolarHBondContact O-N 3.23Å; A224-S228 WeakPolarHBondContact O-CB 3.39Å; A224-S228 PolarHBondContact O-N 2.94Å |
| 225 | E | 80.4 | Confident | 78 | Confident | 118 Ų | 118 | 98.2 Ų | 98.2 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -71.8 | -40.1 | 174.4 | -171 | 168.1 | -140 | 0 | 0 | 111.4 | L221 K223 L229 | L221-E225 VanDerWaalsContact O-CB 3.24Å; L221-E225 WeakPolarHBondContact O-CB 3.47Å; L221-E225 PolarHBondContact O-N 3.22Å; K223-E225 VanDerWaalsContact C-N 3.29Å; K223-E225 PolarHBondContact O-N 2.83Å; E225-L229 HydrophobicContact CG-CD1 4.26Å; E225-L229 VanDerWaalsContact O-CB 3.24Å; E225-L229 WeakPolarHBondContact O-CB 3.32Å; E225-L229 WeakPolarHBondContact O-CG 3.17Å; E225-L229 PolarHBondContact O-N 3.09Å |
| 226 | V | 79.7 | Confident | 79 | Confident | 94 Ų | 94 | 96.1 Ų | 96.1 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.3 | -38.4 | 171.5 | 165.7 | 0 | 0 | 0 | 0 | 112 | H222 K223 L229 A230 | H222-V226 VanDerWaalsContact O-CB 3.25Å; H222-V226 WeakPolarHBondContact O-CB 3.26Å; H222-V226 WeakPolarHBondContact O-CG2 3.33Å; H222-V226 PolarHBondContact O-N 3.5Å; K223-V226 PolarHBondContact O-N 2.78Å; V226-L229 PolarHBondContact O-N 2.81Å; V226-A230 VanDerWaalsContact O-CB 3.23Å; V226-A230 WeakPolarHBondContact O-CB 3.39Å; V226-A230 PolarHBondContact O-N 3.38Å |
| 227 | E | 81 | Confident | 79.5 | Confident | 99 Ų | 99 | 96 Ų | 96 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.6 | -45.3 | 175.6 | -75.2 | 172 | 159.9 | 0 | 0 | 110.4 | K223 L229 A230 E231 | K223-E227 VanDerWaalsContact CE-CD 3.41Å; K223-E227 WeakPolarHBondContact CE-OE1 3.21Å; K223-E227 HydrophobicContact CG-CG 4.36Å; K223-E227 IonicContact NZ-OE1 2.83Å; K223-E227 WeakPolarHBondContact O-CB 3.24Å; K223-E227 VanDerWaalsContact O-CG 3.3Å; K223-E227 WeakPolarHBondContact O-CG 3.31Å; K223-E227 PolarHBondContact O-N 3Å; E227-L229 PolarHBondContact O-N 2.76Å; E227-A230 WeakPolarHBondContact O-CB 3.42Å; E227-A230 PolarHBondContact O-N 3.08Å; E227-A230 VanDerWaalsContact O-N 3.16Å; E227-E231 WeakPolarHBondContact O-CG 3.22Å; E227-E231 PolarHBondContact O-N 3.1Å |
| 228 | S | 84.1 | Confident | 80.1 | Confident | 71 Ų | 71 | 95.1 Ų | 95.1 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 172.2 | 178.5 | 0 | 0 | 0 | 0 | 112.7 | A224 A230 E231 R232 | A224-S228 WeakPolarHBondContact O-CB 3.39Å; A224-S228 PolarHBondContact O-N 2.94Å; S228-A230 VanDerWaalsContact C-N 3.34Å; S228-E231 PolarHBondContact O-N 2.92Å; S228-R232 VanDerWaalsContact O-CB 3.26Å; S228-R232 WeakPolarHBondContact O-CB 3.48Å; S228-R232 PolarHBondContact O-N 2.8Å |
| 229 | L | 81.7 | Confident | 80.5 | Confident | 105 Ų | 105 | 94.5 Ų | 94.5 | 55% | 0.55 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.2 | -33.9 | 173.9 | -75 | 168.8 | 0 | 0 | 0 | 112.1 | E225 V226 E227 V233 | E225-L229 HydrophobicContact CG-CD1 4.26Å; E225-L229 VanDerWaalsContact O-CB 3.24Å; E225-L229 WeakPolarHBondContact O-CB 3.32Å; E225-L229 WeakPolarHBondContact O-CG 3.17Å; E225-L229 PolarHBondContact O-N 3.09Å; V226-L229 PolarHBondContact O-N 2.81Å; E227-L229 PolarHBondContact O-N 2.76Å; L229-V233 VanDerWaalsContact O-CB 3.27Å; L229-V233 WeakPolarHBondContact O-CB 3.48Å; L229-V233 VanDerWaalsContact O-CG2 3.22Å; L229-V233 WeakPolarHBondContact O-CG2 3.48Å; L229-V233 PolarHBondContact O-N 2.64Å |
| 230 | A | 77.1 | Confident | 81.1 | Confident | 54 Ų | 54 | 99.8 Ų | 99.8 | 45% | 0.446 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.3 | -43.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V226 E227 S228 V233 E234 | V226-A230 VanDerWaalsContact O-CB 3.23Å; V226-A230 WeakPolarHBondContact O-CB 3.39Å; V226-A230 PolarHBondContact O-N 3.38Å; E227-A230 WeakPolarHBondContact O-CB 3.42Å; E227-A230 PolarHBondContact O-N 3.08Å; E227-A230 VanDerWaalsContact O-N 3.16Å; S228-A230 VanDerWaalsContact C-N 3.34Å; A230-V233 PolarHBondContact O-N 3.26Å; A230-E234 PolarHBondContact O-N 2.8Å |
| 231 | E | 84.3 | Confident | 81.6 | Confident | 139 Ų | 139 | 100.6 Ų | 100.6 | 65% | 0.65 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.6 | -48.7 | 171.2 | -73 | -177.5 | 161.3 | 0 | 0 | 110.8 | E227 S228 V233 E234 E235 | E227-E231 WeakPolarHBondContact O-CG 3.22Å; E227-E231 PolarHBondContact O-N 3.1Å; S228-E231 PolarHBondContact O-N 2.92Å; E231-V233 VanDerWaalsContact C-N 3.29Å; E231-V233 PolarHBondContact O-N 2.74Å; E231-E234 CarbonylContact O-C 3.58Å; E231-E234 WeakPolarHBondContact O-CA 3.42Å; E231-E234 PolarHBondContact O-N 2.79Å; E231-E235 WeakPolarHBondContact O-CG 3.34Å; E231-E235 PolarHBondContact O-N 3.01Å |
| 232 | R | 83.4 | Confident | 82.2 | Confident | 134 Ų | 134 | 101.5 Ų | 101.5 | 51% | 0.506 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.6 | -37.4 | 176.2 | -162.1 | 76.9 | -174.4 | 112.9 | 3.8 | 112.6 | S228 E235 L236 | S228-R232 VanDerWaalsContact O-CB 3.26Å; S228-R232 WeakPolarHBondContact O-CB 3.48Å; S228-R232 PolarHBondContact O-N 2.8Å; R232-E235 WeakPolarHBondContact CD-OE2 3.46Å; R232-E235 IonicContact CZ-OE2 3.24Å; R232-E235 IonicContact NE-OE2 2.91Å; R232-E235 IonicContact NH1-OE2 2.7Å; R232-E235 PolarHBondContact NH1-OE2 3.06Å; R232-L236 WeakPolarHBondContact O-CB 3.48Å; R232-L236 WeakPolarHBondContact O-CD1 3.34Å; R232-L236 WeakPolarHBondContact O-CG 3.49Å; R232-L236 PolarHBondContact O-N 2.9Å |
| 233 | V | 82 | Confident | 82.9 | Confident | 74 Ų | 74 | 100.8 Ų | 100.8 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.4 | -35.9 | 173.9 | 159.8 | 0 | 0 | 0 | 0 | 111.4 | L229 A230 E231 L236 K237 | L229-V233 VanDerWaalsContact O-CB 3.27Å; L229-V233 WeakPolarHBondContact O-CB 3.48Å; L229-V233 VanDerWaalsContact O-CG2 3.22Å; L229-V233 WeakPolarHBondContact O-CG2 3.48Å; L229-V233 PolarHBondContact O-N 2.64Å; A230-V233 PolarHBondContact O-N 3.26Å; E231-V233 VanDerWaalsContact C-N 3.29Å; E231-V233 PolarHBondContact O-N 2.74Å; V233-L236 PolarHBondContact O-N 3Å; V233-K237 VanDerWaalsContact O-CG 3.31Å; V233-K237 WeakPolarHBondContact O-CG 3.35Å; V233-K237 PolarHBondContact O-N 3.35Å |
| 234 | E | 82.6 | Confident | 83 | Confident | 87 Ų | 87 | 97.8 Ų | 97.8 | 41% | 0.407 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -74.5 | -36.7 | 176.7 | -155.2 | 61 | -134.8 | 0 | 0 | 112.3 | A230 E231 K237 Q238 | A230-E234 PolarHBondContact O-N 2.8Å; E231-E234 CarbonylContact O-C 3.58Å; E231-E234 WeakPolarHBondContact O-CA 3.42Å; E231-E234 PolarHBondContact O-N 2.79Å; E234-K237 PolarHBondContact O-N 3.3Å; E234-K237 WeakPolarHBondContact OE1-CD 3.1Å; E234-K237 WeakPolarHBondContact OE2-CD 3.4Å; E234-K237 IonicContact OE2-NZ 3.61Å; E234-K237 PolarHBondContact OE2-NZ 3.32Å; E234-Q238 WeakPolarHBondContact O-CG 3.39Å; E234-Q238 PolarHBondContact O-N 2.88Å |
| 235 | E | 85.8 | Confident | 83.4 | Confident | 92 Ų | 92 | 98.9 Ų | 98.9 | 43% | 0.43 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.2 | -50.7 | 165.9 | -71.7 | -176.1 | 140.6 | 0 | 0 | 110.7 | E231 R232 K237 Q238 D239 | E231-E235 WeakPolarHBondContact O-CG 3.34Å; E231-E235 PolarHBondContact O-N 3.01Å; R232-E235 WeakPolarHBondContact CD-OE2 3.46Å; R232-E235 IonicContact CZ-OE2 3.24Å; R232-E235 IonicContact NE-OE2 2.91Å; R232-E235 IonicContact NH1-OE2 2.7Å; R232-E235 PolarHBondContact NH1-OE2 3.06Å; E235-K237 VanDerWaalsContact C-N 3.3Å; E235-K237 PolarHBondContact O-N 2.8Å; E235-Q238 CarbonylContact O-C 3.52Å; E235-Q238 WeakPolarHBondContact O-CB 3.25Å; E235-Q238 PolarHBondContact O-N 3.39Å; E235-D239 PolarHBondContact O-N 2.84Å |
| 236 | L | 83.8 | Confident | 83.6 | Confident | 97 Ų | 97 | 98.2 Ų | 98.2 | 51% | 0.508 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.1 | -29.7 | 178.9 | -73.2 | 169.3 | 0 | 0 | 0 | 112.9 | R232 V233 K240 | R232-L236 WeakPolarHBondContact O-CB 3.48Å; R232-L236 WeakPolarHBondContact O-CD1 3.34Å; R232-L236 WeakPolarHBondContact O-CG 3.49Å; R232-L236 PolarHBondContact O-N 2.9Å; V233-L236 PolarHBondContact O-N 3Å; L236-K240 WeakPolarHBondContact O-CB 3.5Å; L236-K240 PolarHBondContact O-N 3.46Å |
| 237 | K | 80.1 | Confident | 83.8 | Confident | 106 Ų | 106 | 100.7 Ų | 100.7 | 46% | 0.461 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.8 | -42.7 | 168.6 | -73.6 | 171 | -158 | 159.3 | 0 | 111.6 | V233 E234 E235 K240 K241 | V233-K237 VanDerWaalsContact O-CG 3.31Å; V233-K237 WeakPolarHBondContact O-CG 3.35Å; V233-K237 PolarHBondContact O-N 3.35Å; E234-K237 PolarHBondContact O-N 3.3Å; E234-K237 WeakPolarHBondContact OE1-CD 3.1Å; E234-K237 WeakPolarHBondContact OE2-CD 3.4Å; E234-K237 IonicContact OE2-NZ 3.61Å; E234-K237 PolarHBondContact OE2-NZ 3.32Å; E235-K237 VanDerWaalsContact C-N 3.3Å; E235-K237 PolarHBondContact O-N 2.8Å; K237-K240 PolarHBondContact O-N 2.78Å; K237-K241 WeakPolarHBondContact O-CB 3.26Å; K237-K241 PolarHBondContact O-N 3.48Å |
| 238 | Q | 84.4 | Confident | 84 | Confident | 95 Ų | 95 | 101.4 Ų | 101.4 | 44% | 0.444 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 177.6 | -73.7 | 178.9 | 49.2 | 0 | 0 | 111.6 | E234 E235 K241 R242 | E234-Q238 WeakPolarHBondContact O-CG 3.39Å; E234-Q238 PolarHBondContact O-N 2.88Å; E235-Q238 CarbonylContact O-C 3.52Å; E235-Q238 WeakPolarHBondContact O-CB 3.25Å; E235-Q238 PolarHBondContact O-N 3.39Å; Q238-K241 WeakPolarHBondContact O-CB 3.15Å; Q238-K241 PolarHBondContact O-N 2.63Å; Q238-R242 VanDerWaalsContact O-CG 3.27Å; Q238-R242 WeakPolarHBondContact O-CG 3.48Å; Q238-R242 PolarHBondContact O-N 2.88Å |
| 239 | D | 83.1 | Confident | 84 | Confident | 75 Ų | 75 | 100.1 Ų | 100.1 | 40% | 0.401 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.1 | -39.1 | 175.7 | -77.1 | -18.5 | 0 | 0 | 0 | 112 | E235 K241 R242 L243 | E235-D239 PolarHBondContact O-N 2.84Å; D239-K241 VanDerWaalsContact C-N 3.27Å; D239-K241 PolarHBondContact O-N 2.91Å; D239-R242 PolarHBondContact O-N 3.13Å; D239-R242 WeakPolarHBondContact OD1-CD 3.42Å; D239-R242 IonicContact OD1-CZ 3.81Å; D239-R242 IonicContact OD1-NE 2.72Å; D239-R242 IonicContact OD1-NH1 3.17Å; D239-R242 PolarHBondContact OD1-NH1 2.85Å; D239-L243 WeakPolarHBondContact O-CB 3.49Å; D239-L243 PolarHBondContact O-N 2.77Å |
| 240 | K | 84.3 | Confident | 84.2 | Confident | 149 Ų | 149 | 99.7 Ų | 99.7 | 65% | 0.648 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -57.6 | -42.2 | 168.4 | 178.5 | 179.6 | 176.1 | -178.2 | 0 | 111.2 | L236 K237 L243 V244 | L236-K240 WeakPolarHBondContact O-CB 3.5Å; L236-K240 PolarHBondContact O-N 3.46Å; K237-K240 PolarHBondContact O-N 2.78Å; K240-L243 PolarHBondContact O-N 3.39Å; K240-V244 VanDerWaalsContact O-CG2 3.31Å; K240-V244 WeakPolarHBondContact O-CG2 3.28Å; K240-V244 PolarHBondContact O-N 2.88Å |
| 241 | K | 86.4 | Confident | 84.4 | Confident | 131 Ų | 131 | 102 Ų | 102 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.4 | -52.1 | 177.2 | -172.7 | -174.7 | 172.4 | -175.7 | 0 | 111.1 | K237 Q238 D239 L243 V244 D245 | K237-K241 WeakPolarHBondContact O-CB 3.26Å; K237-K241 PolarHBondContact O-N 3.48Å; Q238-K241 WeakPolarHBondContact O-CB 3.15Å; Q238-K241 PolarHBondContact O-N 2.63Å; D239-K241 VanDerWaalsContact C-N 3.27Å; D239-K241 PolarHBondContact O-N 2.91Å; K241-L243 PolarHBondContact O-N 3.27Å; K241-V244 CarbonylContact O-C 3.56Å; K241-V244 WeakPolarHBondContact O-CA 3.14Å; K241-V244 PolarHBondContact O-N 3.27Å; K241-D245 WeakPolarHBondContact O-CB 3.5Å; K241-D245 PolarHBondContact O-N 3.43Å |
| 242 | R | 87.9 | Confident | 84.4 | Confident | 134 Ų | 134 | 98.5 Ų | 98.5 | 51% | 0.506 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -52.6 | -42.2 | 175.2 | -70.6 | 164.5 | -175.2 | 156.5 | 2.8 | 111.5 | Q238 D239 D245 E246 | Q238-R242 VanDerWaalsContact O-CG 3.27Å; Q238-R242 WeakPolarHBondContact O-CG 3.48Å; Q238-R242 PolarHBondContact O-N 2.88Å; D239-R242 PolarHBondContact O-N 3.13Å; D239-R242 WeakPolarHBondContact OD1-CD 3.42Å; D239-R242 IonicContact OD1-CZ 3.81Å; D239-R242 IonicContact OD1-NE 2.72Å; D239-R242 IonicContact OD1-NH1 3.17Å; D239-R242 PolarHBondContact OD1-NH1 2.85Å; R242-D245 PolarHBondContact O-N 2.8Å; R242-E246 VanDerWaalsContact O-CB 3.28Å; R242-E246 WeakPolarHBondContact O-CB 3.47Å; R242-E246 WeakPolarHBondContact O-CG 3.12Å; R242-E246 PolarHBondContact O-N 2.8Å |
| 243 | L | 87 | Confident | 84.5 | Confident | 87 Ų | 87 | 99.3 Ų | 99.3 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.9 | -38.3 | 179.1 | -171.5 | 63.9 | 0 | 0 | 0 | 112.3 | D239 K240 K241 Y247 | D239-L243 WeakPolarHBondContact O-CB 3.49Å; D239-L243 PolarHBondContact O-N 2.77Å; K240-L243 PolarHBondContact O-N 3.39Å; K241-L243 PolarHBondContact O-N 3.27Å; L243-Y247 HydrophobicContact CD1-CD2 3.99Å; L243-Y247 HydrophobicContact CD1-CE2 3.52Å; L243-Y247 HydrophobicContact CD2-CE2 4.23Å; L243-Y247 HydrophobicContact CG-CD2 3.85Å; L243-Y247 HydrophobicContact CG-CE2 3.65Å; L243-Y247 WeakPolarHBondContact O-CB 3.34Å; L243-Y247 WeakPolarHBondContact O-CD2 3.49Å; L243-Y247 PolarHBondContact O-N 3.45Å |
| 244 | V | 84.9 | Confident | 84.3 | Confident | 60 Ų | 60 | 97.7 Ų | 97.7 | 36% | 0.364 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65 | -52.6 | 170.7 | 167.5 | 0 | 0 | 0 | 0 | 110.6 | K240 K241 E246 Y247 E248 | K240-V244 VanDerWaalsContact O-CG2 3.31Å; K240-V244 WeakPolarHBondContact O-CG2 3.28Å; K240-V244 PolarHBondContact O-N 2.88Å; K241-V244 CarbonylContact O-C 3.56Å; K241-V244 WeakPolarHBondContact O-CA 3.14Å; K241-V244 PolarHBondContact O-N 3.27Å; V244-E246 PolarHBondContact O-N 2.72Å; V244-Y247 CarbonylContact O-C 3.52Å; V244-Y247 PolarHBondContact O-N 3.5Å; V244-E248 HydrophobicContact CG1-CG 4.25Å; V244-E248 WeakPolarHBondContact CG1-OE1 3.43Å; V244-E248 WeakPolarHBondContact O-CB 3.27Å; V244-E248 WeakPolarHBondContact O-CG 3.48Å; V244-E248 PolarHBondContact O-N 3.29Å |
| 245 | D | 87 | Confident | 84 | Confident | 76 Ų | 76 | 98.1 Ų | 98.1 | 41% | 0.406 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -54.5 | -39.4 | 177.1 | -61.1 | -16.3 | 0 | 0 | 0 | 110.7 | K241 R242 A249 | K241-D245 WeakPolarHBondContact O-CB 3.5Å; K241-D245 PolarHBondContact O-N 3.43Å; R242-D245 PolarHBondContact O-N 2.8Å; D245-A249 WeakPolarHBondContact O-CB 3.45Å; D245-A249 PolarHBondContact O-N 3.06Å |
| 246 | E | 85.7 | Confident | 83.8 | Confident | 103 Ų | 103 | 95 Ų | 95 | 48% | 0.481 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68 | -43.2 | 173.2 | -91.7 | -163.2 | -136.8 | 0 | 0 | 113.8 | R242 V244 A249 K250 | R242-E246 VanDerWaalsContact O-CB 3.28Å; R242-E246 WeakPolarHBondContact O-CB 3.47Å; R242-E246 WeakPolarHBondContact O-CG 3.12Å; R242-E246 PolarHBondContact O-N 2.8Å; V244-E246 PolarHBondContact O-N 2.72Å; E246-A249 PolarHBondContact O-N 3.3Å; E246-K250 WeakPolarHBondContact O-CB 3.49Å; E246-K250 VanDerWaalsContact O-CD 3.26Å; E246-K250 WeakPolarHBondContact O-CD 3.25Å; E246-K250 WeakPolarHBondContact O-CG 3.46Å; E246-K250 PolarHBondContact O-N 2.77Å; E246-K250 WeakPolarHBondContact OE2-CE 3.45Å; E246-K250 IonicContact OE2-NZ 3.56Å; E246-K250 PolarHBondContact OE2-NZ 3.08Å |
| 247 | Y | 83.3 | Confident | 83.8 | Confident | 146 Ų | 146 | 95.9 Ų | 95.9 | 57% | 0.573 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -70.6 | -36.6 | 178.2 | -83.2 | -58 | 0 | 0 | 0 | 111.9 | L243 V244 K250 L251 | L243-Y247 HydrophobicContact CD1-CD2 3.99Å; L243-Y247 HydrophobicContact CD1-CE2 3.52Å; L243-Y247 HydrophobicContact CD2-CE2 4.23Å; L243-Y247 HydrophobicContact CG-CD2 3.85Å; L243-Y247 HydrophobicContact CG-CE2 3.65Å; L243-Y247 WeakPolarHBondContact O-CB 3.34Å; L243-Y247 WeakPolarHBondContact O-CD2 3.49Å; L243-Y247 PolarHBondContact O-N 3.45Å; V244-Y247 CarbonylContact O-C 3.52Å; V244-Y247 PolarHBondContact O-N 3.5Å; Y247-K250 HydrophobicContact CD1-CD 4.15Å; Y247-K250 PolarHBondContact O-N 2.84Å; Y247-L251 VanDerWaalsContact O-CB 3.28Å; Y247-L251 WeakPolarHBondContact O-CB 3.28Å; Y247-L251 PolarHBondContact O-N 2.67Å |
| 248 | E | 84.9 | Confident | 83.9 | Confident | 115 Ų | 115 | 98 Ų | 98 | 54% | 0.537 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 169.9 | -71.2 | -176.9 | -174.3 | 0 | 0 | 110.5 | V244 K250 L251 S252 | V244-E248 HydrophobicContact CG1-CG 4.25Å; V244-E248 WeakPolarHBondContact CG1-OE1 3.43Å; V244-E248 WeakPolarHBondContact O-CB 3.27Å; V244-E248 WeakPolarHBondContact O-CG 3.48Å; V244-E248 PolarHBondContact O-N 3.29Å; E248-K250 VanDerWaalsContact C-N 3.28Å; E248-K250 PolarHBondContact O-N 3.16Å; E248-L251 CarbonylContact O-C 3.15Å; E248-L251 WeakPolarHBondContact O-CB 3.36Å; E248-L251 PolarHBondContact O-N 2.85Å; E248-L251 VanDerWaalsContact O-N 3.1Å; E248-S252 PolarHBondContact O-N 3.44Å; E248-S252 PolarHBondContact O-OG 2.84Å |
| 249 | A | 83.9 | Confident | 83.8 | Confident | 43 Ų | 43 | 99.6 Ų | 99.6 | 36% | 0.355 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.4 | -32.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D245 E246 K253 | D245-A249 WeakPolarHBondContact O-CB 3.45Å; D245-A249 PolarHBondContact O-N 3.06Å; E246-A249 PolarHBondContact O-N 3.3Å; A249-K253 WeakPolarHBondContact O-CB 3.18Å; A249-K253 VanDerWaalsContact O-CD 3.32Å; A249-K253 WeakPolarHBondContact O-CD 3.4Å; A249-K253 WeakPolarHBondContact O-CG 3.18Å; A249-K253 PolarHBondContact O-N 2.87Å |
| 250 | K | 86.4 | Confident | 83.8 | Confident | 97 Ų | 97 | 104.2 Ų | 104.2 | 42% | 0.422 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.4 | -41.6 | 171.9 | -70.7 | 157.7 | -162.9 | 165 | 0 | 111 | E246 Y247 E248 K253 A254 | E246-K250 WeakPolarHBondContact O-CB 3.49Å; E246-K250 VanDerWaalsContact O-CD 3.26Å; E246-K250 WeakPolarHBondContact O-CD 3.25Å; E246-K250 WeakPolarHBondContact O-CG 3.46Å; E246-K250 PolarHBondContact O-N 2.77Å; E246-K250 WeakPolarHBondContact OE2-CE 3.45Å; E246-K250 IonicContact OE2-NZ 3.56Å; E246-K250 PolarHBondContact OE2-NZ 3.08Å; Y247-K250 HydrophobicContact CD1-CD 4.15Å; Y247-K250 PolarHBondContact O-N 2.84Å; E248-K250 VanDerWaalsContact C-N 3.28Å; E248-K250 PolarHBondContact O-N 3.16Å; K250-K253 PolarHBondContact O-N 2.79Å; K250-A254 PolarHBondContact O-N 3.37Å |
| 251 | L | 81.4 | Confident | 83.4 | Confident | 102 Ų | 102 | 102.1 Ų | 102.1 | 53% | 0.534 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.3 | -48.1 | 177.6 | -169.3 | 74.3 | 0 | 0 | 0 | 111.4 | Y247 E248 K253 A254 Q255 | Y247-L251 VanDerWaalsContact O-CB 3.28Å; Y247-L251 WeakPolarHBondContact O-CB 3.28Å; Y247-L251 PolarHBondContact O-N 2.67Å; E248-L251 CarbonylContact O-C 3.15Å; E248-L251 WeakPolarHBondContact O-CB 3.36Å; E248-L251 PolarHBondContact O-N 2.85Å; E248-L251 VanDerWaalsContact O-N 3.1Å; L251-K253 VanDerWaalsContact C-N 3.31Å; L251-K253 PolarHBondContact O-N 3.25Å; L251-A254 CarbonylContact O-C 3.56Å; L251-A254 WeakPolarHBondContact O-CB 3.38Å; L251-A254 PolarHBondContact O-N 3.38Å; L251-A254 VanDerWaalsContact O-N 3.12Å; L251-Q255 WeakPolarHBondContact O-CB 3.45Å; L251-Q255 WeakPolarHBondContact O-CG 3.46Å; L251-Q255 PolarHBondContact O-N 2.82Å |
| 252 | S | 83.2 | Confident | 83 | Confident | 65 Ų | 65 | 100.6 Ų | 100.6 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.5 | -32.2 | 176.7 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | E248 A256 | E248-S252 PolarHBondContact O-N 3.44Å; E248-S252 PolarHBondContact O-OG 2.84Å; S252-A256 VanDerWaalsContact O-CB 3.22Å; S252-A256 WeakPolarHBondContact O-CB 3.5Å; S252-A256 PolarHBondContact O-N 3.35Å |
| 253 | K | 86.3 | Confident | 82.7 | Confident | 152 Ų | 152 | 98.5 Ų | 98.5 | 66% | 0.661 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67 | -39.5 | 170.4 | -77 | 169 | -173.3 | 172 | 0 | 112 | A249 K250 L251 F257 | A249-K253 WeakPolarHBondContact O-CB 3.18Å; A249-K253 VanDerWaalsContact O-CD 3.32Å; A249-K253 WeakPolarHBondContact O-CD 3.4Å; A249-K253 WeakPolarHBondContact O-CG 3.18Å; A249-K253 PolarHBondContact O-N 2.87Å; K250-K253 PolarHBondContact O-N 2.79Å; L251-K253 VanDerWaalsContact C-N 3.31Å; L251-K253 PolarHBondContact O-N 3.25Å; K253-F257 WeakPolarHBondContact O-CB 3.11Å; K253-F257 PolarHBondContact O-N 2.72Å |
| 254 | A | 78.9 | Confident | 82.4 | Confident | 39 Ų | 39 | 96.4 Ų | 96.4 | 32% | 0.322 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.6 | -43.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K250 L251 F257 Y258 | K250-A254 PolarHBondContact O-N 3.37Å; L251-A254 CarbonylContact O-C 3.56Å; L251-A254 WeakPolarHBondContact O-CB 3.38Å; L251-A254 PolarHBondContact O-N 3.38Å; L251-A254 VanDerWaalsContact O-N 3.12Å; A254-F257 WeakPolarHBondContact O-CB 3.31Å; A254-F257 PolarHBondContact O-N 3.37Å; A254-F257 VanDerWaalsContact O-N 3.15Å; A254-Y258 HydrophobicContact CB-CE2 4.38Å; A254-Y258 WeakPolarHBondContact O-CD2 3.4Å; A254-Y258 PolarHBondContact O-N 3.18Å |
| 255 | Q | 75.7 | Confident | 81.9 | Confident | 97 Ų | 97 | 98.9 Ų | 98.9 | 45% | 0.453 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.1 | -52.2 | 173 | -73 | 167.5 | -26.9 | 0 | 0 | 110.6 | L251 F257 Y258 E259 | L251-Q255 WeakPolarHBondContact O-CB 3.45Å; L251-Q255 WeakPolarHBondContact O-CG 3.46Å; L251-Q255 PolarHBondContact O-N 2.82Å; Q255-F257 PolarHBondContact O-N 3Å; Q255-Y258 PolarHBondContact O-N 2.79Å; Q255-Y258 VanDerWaalsContact O-N 3.12Å; Q255-E259 WeakPolarHBondContact O-CB 3.44Å; Q255-E259 WeakPolarHBondContact O-CG 3.46Å; Q255-E259 PolarHBondContact O-N 3.09Å |
| 256 | A | 81.4 | Confident | 81.6 | Confident | 27 Ų | 27 | 101.3 Ų | 101.3 | 22% | 0.223 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -65.6 | -18.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | S252 R260 | S252-A256 VanDerWaalsContact O-CB 3.22Å; S252-A256 WeakPolarHBondContact O-CB 3.5Å; S252-A256 PolarHBondContact O-N 3.35Å; A256-R260 VanDerWaalsContact O-CD 3.26Å; A256-R260 WeakPolarHBondContact O-CD 3.31Å; A256-R260 WeakPolarHBondContact O-CG 3.47Å; A256-R260 PolarHBondContact O-N 2.8Å |
| 257 | F | 83.6 | Confident | 81.2 | Confident | 114 Ų | 114 | 103.1 Ų | 103.1 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -77.4 | -51.8 | 168.1 | 178.8 | -93.2 | 0 | 0 | 0 | 110.6 | K253 A254 Q255 E259 R260 E261 | K253-F257 WeakPolarHBondContact O-CB 3.11Å; K253-F257 PolarHBondContact O-N 2.72Å; A254-F257 WeakPolarHBondContact O-CB 3.31Å; A254-F257 PolarHBondContact O-N 3.37Å; A254-F257 VanDerWaalsContact O-N 3.15Å; Q255-F257 PolarHBondContact O-N 3Å; F257-E259 VanDerWaalsContact C-N 3.32Å; F257-E259 PolarHBondContact O-N 3.19Å; F257-R260 PolarHBondContact O-N 3.4Å; F257-R260 VanDerWaalsContact O-N 3.11Å; F257-E261 HydrophobicContact CD1-CG 4.09Å; F257-E261 HydrophobicContact CE1-CG 3.63Å; F257-E261 HydrophobicContact CZ-CG 3.9Å; F257-E261 PolarHBondContact O-N 3.16Å |
| 258 | Y | 81.2 | Confident | 80.6 | Confident | 152 Ų | 152 | 99.8 Ų | 99.8 | 60% | 0.596 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.9 | -33 | 178.3 | -69.4 | -55.7 | 0 | 0 | 0 | 113.3 | A254 Q255 E261 L262 | A254-Y258 HydrophobicContact CB-CE2 4.38Å; A254-Y258 WeakPolarHBondContact O-CD2 3.4Å; A254-Y258 PolarHBondContact O-N 3.18Å; Q255-Y258 PolarHBondContact O-N 2.79Å; Q255-Y258 VanDerWaalsContact O-N 3.12Å; Y258-E261 PolarHBondContact O-N 3.31Å; Y258-L262 VanDerWaalsContact O-CB 3.29Å; Y258-L262 WeakPolarHBondContact O-CB 3.16Å; Y258-L262 PolarHBondContact O-N 3.39Å |
| 259 | E | 83 | Confident | 79.9 | Confident | 127 Ų | 127 | 100.2 Ų | 100.2 | 59% | 0.593 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.9 | -40.4 | 172.1 | -74.6 | 179 | 152.2 | 0 | 0 | 111.6 | Q255 F257 L262 E263 | Q255-E259 WeakPolarHBondContact O-CB 3.44Å; Q255-E259 WeakPolarHBondContact O-CG 3.46Å; Q255-E259 PolarHBondContact O-N 3.09Å; F257-E259 VanDerWaalsContact C-N 3.32Å; F257-E259 PolarHBondContact O-N 3.19Å; E259-L262 PolarHBondContact O-N 3Å; E259-E263 WeakPolarHBondContact O-CG 3.13Å; E259-E263 PolarHBondContact O-N 3.23Å |
| 260 | R | 82.8 | Confident | 79.6 | Confident | 173 Ų | 173 | 103.7 Ų | 103.7 | 65% | 0.653 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.3 | -38.4 | 174.9 | -74.1 | 172.8 | -174.3 | 134.9 | -0.5 | 112.3 | A256 F257 E263 A264 | A256-R260 VanDerWaalsContact O-CD 3.26Å; A256-R260 WeakPolarHBondContact O-CD 3.31Å; A256-R260 WeakPolarHBondContact O-CG 3.47Å; A256-R260 PolarHBondContact O-N 2.8Å; F257-R260 PolarHBondContact O-N 3.4Å; F257-R260 VanDerWaalsContact O-N 3.11Å; R260-E263 PolarHBondContact O-N 3.23Å; R260-A264 VanDerWaalsContact O-CB 3.24Å; R260-A264 WeakPolarHBondContact O-CB 3.16Å; R260-A264 PolarHBondContact O-N 3.1Å |
| 261 | E | 76.9 | Confident | 79.2 | Confident | 105 Ų | 105 | 104.1 Ų | 104.1 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 169.4 | -76.3 | -94.5 | 105.9 | 0 | 0 | 111.1 | F257 Y258 A264 M265 | F257-E261 HydrophobicContact CD1-CG 4.09Å; F257-E261 HydrophobicContact CE1-CG 3.63Å; F257-E261 HydrophobicContact CZ-CG 3.9Å; F257-E261 PolarHBondContact O-N 3.16Å; Y258-E261 PolarHBondContact O-N 3.31Å; E261-A264 PolarHBondContact O-N 2.7Å; E261-M265 WeakPolarHBondContact O-CB 3.45Å; E261-M265 WeakPolarHBondContact O-CG 3.19Å; E261-M265 PolarHBondContact O-N 3.43Å |
| 262 | L | 77.7 | Confident | 78.9 | Confident | 99 Ų | 99 | 103.1 Ų | 103.1 | 52% | 0.518 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 175.7 | -99 | 151.3 | 0 | 0 | 0 | 112.5 | Y258 E259 K266 | Y258-L262 VanDerWaalsContact O-CB 3.29Å; Y258-L262 WeakPolarHBondContact O-CB 3.16Å; Y258-L262 PolarHBondContact O-N 3.39Å; E259-L262 PolarHBondContact O-N 3Å; L262-K266 VanDerWaalsContact O-CB 3.31Å; L262-K266 WeakPolarHBondContact O-CB 3.26Å; L262-K266 WeakPolarHBondContact O-CD 3.46Å; L262-K266 WeakPolarHBondContact O-CG 3.49Å; L262-K266 PolarHBondContact O-N 3.21Å |
| 263 | E | 82 | Confident | 78.3 | Confident | 90 Ų | 90 | 102 Ų | 102 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.5 | -39.8 | 172.2 | -74.7 | -156.8 | 145.1 | 0 | 0 | 112.3 | E259 R260 K266 R267 | E259-E263 WeakPolarHBondContact O-CG 3.13Å; E259-E263 PolarHBondContact O-N 3.23Å; R260-E263 PolarHBondContact O-N 3.23Å; E263-K266 PolarHBondContact O-N 3.31Å; E263-R267 VanDerWaalsContact CD-NH2 3.26Å; E263-R267 WeakPolarHBondContact O-CB 3.47Å; E263-R267 VanDerWaalsContact O-CG 3.24Å; E263-R267 WeakPolarHBondContact O-CG 3.2Å; E263-R267 PolarHBondContact O-N 3.5Å; E263-R267 IonicContact OE1-NH2 3.67Å; E263-R267 PolarHBondContact OE1-NH2 3.49Å; E263-R267 IonicContact OE2-CZ 3.85Å; E263-R267 IonicContact OE2-NH1 3.56Å; E263-R267 PolarHBondContact OE2-NH1 2.82Å; E263-R267 IonicContact OE2-NH2 3.52Å; E263-R267 PolarHBondContact OE2-NH2 3.49Å |
| 264 | A | 80.3 | Confident | 78 | Confident | 43 Ų | 43 | 98.4 Ų | 98.4 | 36% | 0.355 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | R260 E261 R267 T268 | R260-A264 VanDerWaalsContact O-CB 3.24Å; R260-A264 WeakPolarHBondContact O-CB 3.16Å; R260-A264 PolarHBondContact O-N 3.1Å; E261-A264 PolarHBondContact O-N 2.7Å; A264-R267 PolarHBondContact O-N 2.75Å; A264-T268 WeakPolarHBondContact O-CB 3.42Å; A264-T268 PolarHBondContact O-N 2.79Å; A264-T268 PolarHBondContact O-OG1 2.83Å |
| 265 | M | 73.7 | Confident | 77.7 | Confident | 111 Ų | 111 | 101.5 Ų | 101.5 | 55% | 0.547 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 172.6 | -83.5 | -69.5 | -75.4 | 0 | 0 | 112.1 | E261 T268 Q269 | E261-M265 WeakPolarHBondContact O-CB 3.45Å; E261-M265 WeakPolarHBondContact O-CG 3.19Å; E261-M265 PolarHBondContact O-N 3.43Å; M265-T268 PolarHBondContact O-N 3.48Å; M265-Q269 WeakPolarHBondContact O-CB 3.37Å; M265-Q269 WeakPolarHBondContact O-CG 3.22Å; M265-Q269 PolarHBondContact O-N 3.48Å |
| 266 | K | 80.8 | Confident | 77.8 | Confident | 127 Ų | 127 | 101.3 Ų | 101.3 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 173.2 | -75.5 | 164.7 | -174.6 | 173.9 | 0 | 112 | L262 E263 T268 Q269 Q270 | L262-K266 VanDerWaalsContact O-CB 3.31Å; L262-K266 WeakPolarHBondContact O-CB 3.26Å; L262-K266 WeakPolarHBondContact O-CD 3.46Å; L262-K266 WeakPolarHBondContact O-CG 3.49Å; L262-K266 PolarHBondContact O-N 3.21Å; E263-K266 PolarHBondContact O-N 3.31Å; K266-T268 VanDerWaalsContact C-N 3.34Å; K266-Q269 PolarHBondContact O-N 2.85Å; K266-Q270 WeakPolarHBondContact O-CB 3.41Å; K266-Q270 PolarHBondContact O-N 3.47Å |
| 267 | R | 78.1 | Confident | 77.6 | Confident | 142 Ų | 142 | 104.1 Ų | 104.1 | 54% | 0.536 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.4 | -37 | 174.9 | -72.4 | 169.2 | -175 | 124.4 | 12.2 | 111.6 | E263 A264 Q270 L271 | E263-R267 VanDerWaalsContact CD-NH2 3.26Å; E263-R267 WeakPolarHBondContact O-CB 3.47Å; E263-R267 VanDerWaalsContact O-CG 3.24Å; E263-R267 WeakPolarHBondContact O-CG 3.2Å; E263-R267 PolarHBondContact O-N 3.5Å; E263-R267 IonicContact OE1-NH2 3.67Å; E263-R267 PolarHBondContact OE1-NH2 3.49Å; E263-R267 IonicContact OE2-CZ 3.85Å; E263-R267 IonicContact OE2-NH1 3.56Å; E263-R267 PolarHBondContact OE2-NH1 2.82Å; E263-R267 IonicContact OE2-NH2 3.52Å; E263-R267 PolarHBondContact OE2-NH2 3.49Å; A264-R267 PolarHBondContact O-N 2.75Å; R267-Q270 PolarHBondContact O-N 2.76Å; R267-L271 WeakPolarHBondContact O-CB 3.38Å; R267-L271 PolarHBondContact O-N 3.27Å |
| 268 | T | 69.8 | Low | 77.3 | Confident | 76 Ų | 76 | 100.7 Ų | 100.7 | 47% | 0.466 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.7 | -38.1 | 175.4 | -52.7 | 0 | 0 | 0 | 0 | 111.9 | A264 M265 K266 L271 T272 | A264-T268 WeakPolarHBondContact O-CB 3.42Å; A264-T268 PolarHBondContact O-N 2.79Å; A264-T268 PolarHBondContact O-OG1 2.83Å; M265-T268 PolarHBondContact O-N 3.48Å; K266-T268 VanDerWaalsContact C-N 3.34Å; T268-L271 PolarHBondContact O-N 2.84Å; T268-T272 WeakPolarHBondContact O-CB 2.79Å; T268-T272 WeakPolarHBondContact O-CG2 3.3Å; T268-T272 PolarHBondContact O-N 3.36Å; T268-T272 PolarHBondContact O-OG1 2.95Å |
| 269 | Q | 71.9 | Confident | 76.9 | Confident | 124 Ų | 124 | 101.2 Ų | 101.2 | 58% | 0.579 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.8 | -41.1 | 170.5 | -80.1 | -174.9 | -18.7 | 0 | 0 | 111.9 | M265 K266 T272 A273 | M265-Q269 WeakPolarHBondContact O-CB 3.37Å; M265-Q269 WeakPolarHBondContact O-CG 3.22Å; M265-Q269 PolarHBondContact O-N 3.48Å; K266-Q269 PolarHBondContact O-N 2.85Å; Q269-T272 WeakPolarHBondContact CA-OG1 3.26Å; Q269-T272 PolarHBondContact O-N 3.33Å; Q269-T272 PolarHBondContact O-OG1 2.79Å; Q269-A273 VanDerWaalsContact O-CB 3.25Å; Q269-A273 WeakPolarHBondContact O-CB 3.49Å; Q269-A273 PolarHBondContact O-N 3.29Å |
| 270 | Q | 76.6 | Confident | 76.6 | Confident | 115 Ų | 115 | 100.7 Ų | 100.7 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -49.6 | 173.9 | -170.4 | 62.6 | 50.2 | 0 | 0 | 110.9 | K266 R267 T272 A273 D274 | K266-Q270 WeakPolarHBondContact O-CB 3.41Å; K266-Q270 PolarHBondContact O-N 3.47Å; R267-Q270 PolarHBondContact O-N 2.76Å; Q270-T272 PolarHBondContact O-N 3.23Å; Q270-A273 PolarHBondContact O-N 2.75Å; Q270-D274 PolarHBondContact NE2-OD2 2.98Å; Q270-D274 VanDerWaalsContact NE2-OD2 3.12Å; Q270-D274 WeakPolarHBondContact O-CB 3.34Å; Q270-D274 PolarHBondContact O-N 3.46Å |
| 271 | L | 77.4 | Confident | 76.4 | Confident | 106 Ų | 106 | 99.7 Ų | 99.7 | 56% | 0.555 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.6 | -39.2 | 175.8 | -85.9 | 162.2 | 0 | 0 | 0 | 113 | R267 T268 N275 | R267-L271 WeakPolarHBondContact O-CB 3.38Å; R267-L271 PolarHBondContact O-N 3.27Å; T268-L271 PolarHBondContact O-N 2.84Å; L271-N275 WeakPolarHBondContact O-CB 3.48Å; L271-N275 PolarHBondContact O-N 2.75Å; L271-N275 PolarHBondContact O-ND2 2.66Å; L271-N275 VanDerWaalsContact O-ND2 3.13Å |
| 272 | T | 75.1 | Confident | 76.4 | Confident | 81 Ų | 81 | 97.8 Ų | 97.8 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -74.2 | -31.2 | 176.2 | 46.7 | 0 | 0 | 0 | 0 | 112.7 | T268 Q269 Q270 L276 | T268-T272 WeakPolarHBondContact O-CB 2.79Å; T268-T272 WeakPolarHBondContact O-CG2 3.3Å; T268-T272 PolarHBondContact O-N 3.36Å; T268-T272 PolarHBondContact O-OG1 2.95Å; Q269-T272 WeakPolarHBondContact CA-OG1 3.26Å; Q269-T272 PolarHBondContact O-N 3.33Å; Q269-T272 PolarHBondContact O-OG1 2.79Å; Q270-T272 PolarHBondContact O-N 3.23Å; T272-L276 WeakPolarHBondContact O-CB 3.22Å; T272-L276 PolarHBondContact O-N 3.46Å |
| 273 | A | 71.8 | Confident | 76.2 | Confident | 43 Ų | 43 | 95.8 Ų | 95.8 | 36% | 0.355 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.6 | -44.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q269 Q270 L276 L277 | Q269-A273 VanDerWaalsContact O-CB 3.25Å; Q269-A273 WeakPolarHBondContact O-CB 3.49Å; Q269-A273 PolarHBondContact O-N 3.29Å; Q270-A273 PolarHBondContact O-N 2.75Å; A273-L276 PolarHBondContact O-N 2.66Å; A273-L277 WeakPolarHBondContact O-CB 3.22Å; A273-L277 WeakPolarHBondContact O-CG 3.45Å; A273-L277 PolarHBondContact O-N 2.76Å |
| 274 | D | 78.8 | Confident | 76 | Confident | 76 Ų | 76 | 93.3 Ų | 93.3 | 41% | 0.406 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 177.2 | -71.5 | -38.2 | 0 | 0 | 0 | 111.5 | Q270 L277 A278 | Q270-D274 PolarHBondContact NE2-OD2 2.98Å; Q270-D274 VanDerWaalsContact NE2-OD2 3.12Å; Q270-D274 WeakPolarHBondContact O-CB 3.34Å; Q270-D274 PolarHBondContact O-N 3.46Å; D274-L277 PolarHBondContact O-N 3.46Å; D274-A278 PolarHBondContact O-N 2.78Å |
| 275 | N | 73 | Confident | 76 | Confident | 103 Ų | 103 | 96.4 Ų | 96.4 | 55% | 0.551 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.6 | -39 | 170.6 | -76 | -28.4 | 0 | 0 | 0 | 112 | L271 L277 A278 W279 | L271-N275 WeakPolarHBondContact O-CB 3.48Å; L271-N275 PolarHBondContact O-N 2.75Å; L271-N275 PolarHBondContact O-ND2 2.66Å; L271-N275 VanDerWaalsContact O-ND2 3.13Å; N275-L277 VanDerWaalsContact C-N 3.34Å; N275-A278 WeakPolarHBondContact O-CB 3.28Å; N275-A278 PolarHBondContact O-N 2.75Å; N275-W279 WeakPolarHBondContact O-CB 3.23Å; N275-W279 PolarHBondContact O-N 3.25Å |
| 276 | L | 77.3 | Confident | 76.1 | Confident | 94 Ų | 94 | 95 Ų | 95 | 49% | 0.492 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.1 | -33.5 | 175.1 | -177.4 | 64.6 | 0 | 0 | 0 | 111.8 | T272 A273 W279 K280 | T272-L276 WeakPolarHBondContact O-CB 3.22Å; T272-L276 PolarHBondContact O-N 3.46Å; A273-L276 PolarHBondContact O-N 2.66Å; L276-W279 PolarHBondContact O-N 2.75Å; L276-K280 WeakPolarHBondContact O-CB 3.27Å; L276-K280 VanDerWaalsContact O-CG 3.31Å; L276-K280 WeakPolarHBondContact O-CG 3.21Å; L276-K280 PolarHBondContact O-N 3.5Å |
| 277 | L | 77.9 | Confident | 76.1 | Confident | 86 Ų | 86 | 95.4 Ų | 95.4 | 45% | 0.45 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.4 | -36.1 | 171.6 | -73.7 | 170.4 | 0 | 0 | 0 | 111.9 | A273 D274 N275 R281 | A273-L277 WeakPolarHBondContact O-CB 3.22Å; A273-L277 WeakPolarHBondContact O-CG 3.45Å; A273-L277 PolarHBondContact O-N 2.76Å; D274-L277 PolarHBondContact O-N 3.46Å; N275-L277 VanDerWaalsContact C-N 3.34Å; L277-R281 WeakPolarHBondContact O-CG 3.44Å; L277-R281 PolarHBondContact O-N 3.29Å |
| 278 | A | 77.1 | Confident | 76.2 | Confident | 42 Ų | 42 | 96.4 Ų | 96.4 | 35% | 0.347 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.7 | -46.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D274 N275 K280 R281 T282 | D274-A278 PolarHBondContact O-N 2.78Å; N275-A278 WeakPolarHBondContact O-CB 3.28Å; N275-A278 PolarHBondContact O-N 2.75Å; A278-K280 VanDerWaalsContact C-N 3.32Å; A278-K280 PolarHBondContact O-N 2.79Å; A278-R281 WeakPolarHBondContact O-CB 3.48Å; A278-R281 PolarHBondContact O-N 3.19Å; A278-T282 PolarHBondContact O-N 3.27Å; A278-T282 PolarHBondContact O-OG1 3.49Å |
| 279 | W | 72.6 | Confident | 76.5 | Confident | 163 Ų | 163 | 97.7 Ų | 97.7 | 62% | 0.617 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.7 | -38.8 | 179.5 | -142.8 | 96.1 | 0 | 0 | 0 | 112.1 | N275 L276 R281 T282 E283 | N275-W279 WeakPolarHBondContact O-CB 3.23Å; N275-W279 PolarHBondContact O-N 3.25Å; L276-W279 PolarHBondContact O-N 2.75Å; W279-R281 VanDerWaalsContact C-N 3.31Å; W279-R281 PolarHBondContact O-N 3.39Å; W279-T282 WeakPolarHBondContact CA-OG1 3.42Å; W279-T282 PolarHBondContact O-N 3.31Å; W279-T282 PolarHBondContact O-OG1 3.26Å; W279-E283 HydrophobicContact CE3-CB 3.95Å; W279-E283 HydrophobicContact CE3-CG 4.36Å; W279-E283 HydrophobicContact CZ3-CB 3.95Å; W279-E283 HydrophobicContact CZ3-CG 3.92Å; W279-E283 WeakPolarHBondContact O-CB 3.25Å; W279-E283 PolarHBondContact O-N 3.13Å |
| 280 | K | 77.3 | Confident | 76.6 | Confident | 116 Ų | 116 | 98 Ų | 98 | 50% | 0.504 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.9 | -27.9 | 173.2 | -78 | 175.7 | 177.5 | 180 | 0 | 113.7 | L276 A278 A284 | L276-K280 WeakPolarHBondContact O-CB 3.27Å; L276-K280 VanDerWaalsContact O-CG 3.31Å; L276-K280 WeakPolarHBondContact O-CG 3.21Å; L276-K280 PolarHBondContact O-N 3.5Å; A278-K280 VanDerWaalsContact C-N 3.32Å; A278-K280 PolarHBondContact O-N 2.79Å; K280-A284 WeakPolarHBondContact O-CB 3.45Å; K280-A284 PolarHBondContact O-N 3.28Å; K280-A284 VanDerWaalsContact O-N 3.12Å |
| 281 | R | 79.3 | Confident | 76.7 | Confident | 152 Ų | 152 | 98.8 Ų | 98.8 | 57% | 0.574 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -71.1 | -50.7 | 171.6 | -67.9 | 171.2 | -169.8 | 117 | -1.5 | 110.2 | L277 A278 W279 E283 A284 E285 | L277-R281 WeakPolarHBondContact O-CG 3.44Å; L277-R281 PolarHBondContact O-N 3.29Å; A278-R281 WeakPolarHBondContact O-CB 3.48Å; A278-R281 PolarHBondContact O-N 3.19Å; W279-R281 VanDerWaalsContact C-N 3.31Å; W279-R281 PolarHBondContact O-N 3.39Å; R281-E283 VanDerWaalsContact C-N 3.29Å; R281-E283 PolarHBondContact O-N 3.43Å; R281-A284 CarbonylContact O-C 3.59Å; R281-A284 PolarHBondContact O-N 3.21Å; R281-E285 WeakPolarHBondContact O-CG 3.19Å; R281-E285 PolarHBondContact O-N 3.49Å |
| 282 | T | 77.2 | Confident | 76.6 | Confident | 64 Ų | 64 | 98.4 Ų | 98.4 | 39% | 0.393 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.6 | -33.6 | 177.2 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | A278 W279 E285 L286 | A278-T282 PolarHBondContact O-N 3.27Å; A278-T282 PolarHBondContact O-OG1 3.49Å; W279-T282 WeakPolarHBondContact CA-OG1 3.42Å; W279-T282 PolarHBondContact O-N 3.31Å; W279-T282 PolarHBondContact O-OG1 3.26Å; T282-E285 PolarHBondContact O-N 3.48Å; T282-L286 VanDerWaalsContact O-CB 3.3Å; T282-L286 WeakPolarHBondContact O-CB 3.35Å; T282-L286 VanDerWaalsContact O-CG 3.27Å; T282-L286 WeakPolarHBondContact O-CG 3.28Å; T282-L286 PolarHBondContact O-N 3.35Å |
| 283 | E | 72.9 | Confident | 76.6 | Confident | 57 Ų | 57 | 99.3 Ų | 99.3 | 27% | 0.266 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.8 | -37.5 | 173 | -168.1 | -162.4 | -156.8 | 0 | 0 | 111.7 | W279 R281 R287 | W279-E283 HydrophobicContact CE3-CB 3.95Å; W279-E283 HydrophobicContact CE3-CG 4.36Å; W279-E283 HydrophobicContact CZ3-CB 3.95Å; W279-E283 HydrophobicContact CZ3-CG 3.92Å; W279-E283 WeakPolarHBondContact O-CB 3.25Å; W279-E283 PolarHBondContact O-N 3.13Å; R281-E283 VanDerWaalsContact C-N 3.29Å; R281-E283 PolarHBondContact O-N 3.43Å; E283-R287 VanDerWaalsContact CD-CZ 3.43Å; E283-R287 VanDerWaalsContact CD-NH2 3.32Å; E283-R287 VanDerWaalsContact O-CB 3.31Å; E283-R287 WeakPolarHBondContact O-CB 3.24Å; E283-R287 VanDerWaalsContact O-CG 3.3Å; E283-R287 WeakPolarHBondContact O-CG 3.24Å; E283-R287 PolarHBondContact O-N 3.36Å; E283-R287 IonicContact OE1-CZ 2.78Å; E283-R287 VanDerWaalsContact OE1-CZ 3.27Å; E283-R287 IonicContact OE1-NH1 2.71Å; E283-R287 PolarHBondContact OE1-NH1 3.46Å; E283-R287 IonicContact OE1-NH2 2.75Å; E283-R287 PolarHBondContact OE1-NH2 3.38Å; E283-R287 IonicContact OE2-CZ 2.61Å; E283-R287 IonicContact OE2-NH1 2.73Å; E283-R287 PolarHBondContact OE2-NH1 3.06Å; E283-R287 IonicContact OE2-NH2 2.69Å |
| 284 | A | 77.6 | Confident | 76.7 | Confident | 38 Ų | 38 | 102.4 Ų | 102.4 | 31% | 0.314 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -74.7 | -23.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | K280 R281 R288 | K280-A284 WeakPolarHBondContact O-CB 3.45Å; K280-A284 PolarHBondContact O-N 3.28Å; K280-A284 VanDerWaalsContact O-N 3.12Å; R281-A284 CarbonylContact O-C 3.59Å; R281-A284 PolarHBondContact O-N 3.21Å; A284-R288 WeakPolarHBondContact O-CG 3.37Å; A284-R288 PolarHBondContact O-NH1 2.82Å |
| 285 | E | 79.4 | Confident | 76.4 | Confident | 108 Ų | 108 | 101.6 Ų | 101.6 | 51% | 0.505 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -76.3 | -53.4 | 170.5 | -73.1 | 155.9 | -177.3 | 0 | 0 | 109.9 | R281 T282 R287 R288 E289 | R281-E285 WeakPolarHBondContact O-CG 3.19Å; R281-E285 PolarHBondContact O-N 3.49Å; T282-E285 PolarHBondContact O-N 3.48Å; E285-R287 VanDerWaalsContact C-N 3.29Å; E285-R287 PolarHBondContact O-N 3.32Å; E285-R288 WeakPolarHBondContact O-CA 3.46Å; E285-R288 WeakPolarHBondContact O-CB 3.46Å; E285-R288 PolarHBondContact O-N 3.05Å; E285-E289 PolarHBondContact O-N 2.97Å; E285-E289 VanDerWaalsContact O-N 3.07Å |
| 286 | L | 76.9 | Confident | 76.5 | Confident | 81 Ų | 81 | 99.5 Ų | 99.5 | 42% | 0.424 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -55.9 | -38.2 | 173.6 | -74 | 167.7 | 0 | 0 | 0 | 112.6 | T282 R288 E289 F290 | T282-L286 VanDerWaalsContact O-CB 3.3Å; T282-L286 WeakPolarHBondContact O-CB 3.35Å; T282-L286 VanDerWaalsContact O-CG 3.27Å; T282-L286 WeakPolarHBondContact O-CG 3.28Å; T282-L286 PolarHBondContact O-N 3.35Å; L286-R288 VanDerWaalsContact C-N 3.3Å; L286-R288 PolarHBondContact O-N 2.8Å; L286-E289 PolarHBondContact O-N 2.8Å; L286-F290 HydrophobicContact CB-CD2 4.5Å; L286-F290 WeakPolarHBondContact O-CB 3.41Å; L286-F290 VanDerWaalsContact O-CD2 3.31Å; L286-F290 WeakPolarHBondContact O-CD2 3.25Å; L286-F290 PolarHBondContact O-N 3.04Å |
| 287 | R | 80.4 | Confident | 76.2 | Confident | 137 Ų | 137 | 99.8 Ų | 99.8 | 52% | 0.517 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -35.5 | 174 | -85 | -174.6 | -179.2 | 108.2 | 12.3 | 113 | E283 E285 Q291 | E283-R287 VanDerWaalsContact CD-CZ 3.43Å; E283-R287 VanDerWaalsContact CD-NH2 3.32Å; E283-R287 VanDerWaalsContact O-CB 3.31Å; E283-R287 WeakPolarHBondContact O-CB 3.24Å; E283-R287 VanDerWaalsContact O-CG 3.3Å; E283-R287 WeakPolarHBondContact O-CG 3.24Å; E283-R287 PolarHBondContact O-N 3.36Å; E283-R287 IonicContact OE1-CZ 2.78Å; E283-R287 VanDerWaalsContact OE1-CZ 3.27Å; E283-R287 IonicContact OE1-NH1 2.71Å; E283-R287 PolarHBondContact OE1-NH1 3.46Å; E283-R287 IonicContact OE1-NH2 2.75Å; E283-R287 PolarHBondContact OE1-NH2 3.38Å; E283-R287 IonicContact OE2-CZ 2.61Å; E283-R287 IonicContact OE2-NH1 2.73Å; E283-R287 PolarHBondContact OE2-NH1 3.06Å; E283-R287 IonicContact OE2-NH2 2.69Å; E285-R287 VanDerWaalsContact C-N 3.29Å; E285-R287 PolarHBondContact O-N 3.32Å; R287-Q291 WeakPolarHBondContact O-CB 3.17Å; R287-Q291 VanDerWaalsContact O-CG 3.26Å; R287-Q291 WeakPolarHBondContact O-CG 3.14Å; R287-Q291 PolarHBondContact O-N 2.82Å |
| 288 | R | 79.6 | Confident | 76 | Confident | 162 Ų | 162 | 101.3 Ų | 101.3 | 61% | 0.611 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.8 | -41.3 | 174.8 | -69.1 | 179.4 | -178.2 | 101 | -11.7 | 111.1 | A284 E285 L286 Q291 T292 | A284-R288 WeakPolarHBondContact O-CG 3.37Å; A284-R288 PolarHBondContact O-NH1 2.82Å; E285-R288 WeakPolarHBondContact O-CA 3.46Å; E285-R288 WeakPolarHBondContact O-CB 3.46Å; E285-R288 PolarHBondContact O-N 3.05Å; L286-R288 VanDerWaalsContact C-N 3.3Å; L286-R288 PolarHBondContact O-N 2.8Å; R288-Q291 PolarHBondContact O-N 3.08Å; R288-T292 PolarHBondContact O-N 3Å |
| 289 | E | 76.3 | Confident | 75.7 | Confident | 104 Ų | 104 | 107.2 Ų | 107.2 | 49% | 0.486 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 175.6 | -64.7 | -175.6 | 164.7 | 0 | 0 | 111.8 | E285 L286 Q291 T292 Q293 | E285-E289 PolarHBondContact O-N 2.97Å; E285-E289 VanDerWaalsContact O-N 3.07Å; L286-E289 PolarHBondContact O-N 2.8Å; E289-Q291 VanDerWaalsContact C-N 3.33Å; E289-Q291 PolarHBondContact O-N 3.26Å; E289-T292 PolarHBondContact O-N 2.79Å; E289-T292 PolarHBondContact O-OG1 3.4Å; E289-Q293 WeakPolarHBondContact O-CB 3.04Å; E289-Q293 VanDerWaalsContact O-CG 3.32Å; E289-Q293 WeakPolarHBondContact O-CG 3.19Å; E289-Q293 PolarHBondContact O-N 2.82Å |
| 290 | F | 74.5 | Confident | 75.7 | Confident | 131 Ų | 131 | 102.6 Ų | 102.6 | 58% | 0.575 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.8 | -38.8 | 173.6 | -88.6 | -68.4 | 0 | 0 | 0 | 112.2 | L286 T292 Q293 E294 | L286-F290 HydrophobicContact CB-CD2 4.5Å; L286-F290 WeakPolarHBondContact O-CB 3.41Å; L286-F290 VanDerWaalsContact O-CD2 3.31Å; L286-F290 WeakPolarHBondContact O-CD2 3.25Å; L286-F290 PolarHBondContact O-N 3.04Å; F290-T292 PolarHBondContact O-N 3.4Å; F290-Q293 PolarHBondContact O-N 3.3Å; F290-E294 VanDerWaalsContact O-CB 3.25Å; F290-E294 WeakPolarHBondContact O-CB 3.27Å; F290-E294 PolarHBondContact O-N 2.82Å |
| 291 | Q | 78.1 | Confident | 75.3 | Confident | 131 Ų | 131 | 100.7 Ų | 100.7 | 61% | 0.612 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.6 | -36.9 | 174.6 | -77.7 | 173.7 | -17.6 | 0 | 0 | 112.8 | R287 R288 E289 A295 | R287-Q291 WeakPolarHBondContact O-CB 3.17Å; R287-Q291 VanDerWaalsContact O-CG 3.26Å; R287-Q291 WeakPolarHBondContact O-CG 3.14Å; R287-Q291 PolarHBondContact O-N 2.82Å; R288-Q291 PolarHBondContact O-N 3.08Å; E289-Q291 VanDerWaalsContact C-N 3.33Å; E289-Q291 PolarHBondContact O-N 3.26Å; Q291-A295 WeakPolarHBondContact O-CB 3.24Å; Q291-A295 PolarHBondContact O-N 2.83Å; Q291-A295 VanDerWaalsContact O-N 3.16Å |
| 292 | T | 74.9 | Confident | 74.9 | Confident | 98 Ų | 98 | 96 Ų | 96 | 60% | 0.601 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -73.7 | -35 | 174.9 | 59.6 | 0 | 0 | 0 | 0 | 112.5 | R288 E289 F290 A296 | R288-T292 PolarHBondContact O-N 3Å; E289-T292 PolarHBondContact O-N 2.79Å; E289-T292 PolarHBondContact O-OG1 3.4Å; F290-T292 PolarHBondContact O-N 3.4Å; T292-A296 PolarHBondContact O-N 3.09Å |
| 293 | Q | 76.6 | Confident | 74.7 | Confident | 100 Ų | 100 | 100 Ų | 100 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.2 | -41.2 | 173.2 | -69.9 | 179.3 | 29.2 | 0 | 0 | 112.3 | E289 F290 A296 L297 | E289-Q293 WeakPolarHBondContact O-CB 3.04Å; E289-Q293 VanDerWaalsContact O-CG 3.32Å; E289-Q293 WeakPolarHBondContact O-CG 3.19Å; E289-Q293 PolarHBondContact O-N 2.82Å; F290-Q293 PolarHBondContact O-N 3.3Å; Q293-A296 WeakPolarHBondContact O-CB 3.26Å; Q293-A296 PolarHBondContact O-N 3.46Å; Q293-A296 VanDerWaalsContact O-N 3.12Å; Q293-L297 WeakPolarHBondContact O-CG 3.18Å; Q293-L297 PolarHBondContact O-N 2.68Å |
| 294 | E | 72.6 | Confident | 74.5 | Confident | 107 Ų | 107 | 102 Ų | 102 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 178.1 | -164.8 | -169.3 | 160.1 | 0 | 0 | 110.9 | F290 A296 L297 Q298 | F290-E294 VanDerWaalsContact O-CB 3.25Å; F290-E294 WeakPolarHBondContact O-CB 3.27Å; F290-E294 PolarHBondContact O-N 2.82Å; E294-A296 PolarHBondContact O-N 3.35Å; E294-L297 PolarHBondContact O-N 3.23Å; E294-L297 VanDerWaalsContact O-N 3.09Å; E294-Q298 HydrophobicContact CG-CG 4.3Å; E294-Q298 WeakPolarHBondContact O-CG 3.46Å; E294-Q298 PolarHBondContact O-N 2.65Å; E294-Q298 PolarHBondContact OE1-NE2 3.03Å |
| 295 | A | 72.6 | Confident | 74.4 | Confident | 60 Ų | 60 | 108.8 Ų | 108.8 | 50% | 0.496 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59 | -33.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q291 | Q291-A295 WeakPolarHBondContact O-CB 3.24Å; Q291-A295 PolarHBondContact O-N 2.83Å; Q291-A295 VanDerWaalsContact O-N 3.16Å |
| 296 | A | 75.7 | Confident | 73.6 | Confident | 58 Ų | 58 | 107.4 Ų | 107.4 | 48% | 0.479 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -73.9 | -40 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T292 Q293 E294 K299 T300 | T292-A296 PolarHBondContact O-N 3.09Å; Q293-A296 WeakPolarHBondContact O-CB 3.26Å; Q293-A296 PolarHBondContact O-N 3.46Å; Q293-A296 VanDerWaalsContact O-N 3.12Å; E294-A296 PolarHBondContact O-N 3.35Å; A296-K299 WeakPolarHBondContact O-CB 3.43Å; A296-K299 PolarHBondContact O-N 2.76Å; A296-T300 PolarHBondContact O-N 2.66Å |
| 297 | L | 70.5 | Confident | 73.2 | Confident | 101 Ų | 101 | 109.6 Ų | 109.6 | 53% | 0.529 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -72.8 | -36 | -179.6 | -72.2 | 172.2 | 0 | 0 | 0 | 113.2 | Q293 E294 K299 T300 L301 | Q293-L297 WeakPolarHBondContact O-CG 3.18Å; Q293-L297 PolarHBondContact O-N 2.68Å; E294-L297 PolarHBondContact O-N 3.23Å; E294-L297 VanDerWaalsContact O-N 3.09Å; L297-K299 PolarHBondContact O-N 3.42Å; L297-T300 PolarHBondContact O-N 2.71Å; L297-T300 VanDerWaalsContact O-N 3.14Å; L297-T300 PolarHBondContact O-OG1 2.72Å; L297-L301 WeakPolarHBondContact O-CB 3.4Å; L297-L301 WeakPolarHBondContact O-CG 3.26Å; L297-L301 PolarHBondContact O-N 3.46Å |
| 298 | Q | 74.8 | Confident | 72.5 | Confident | 118 Ų | 118 | 109 Ų | 109 | 55% | 0.551 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.3 | -35.8 | 171.2 | -69.7 | 179.7 | 11.3 | 0 | 0 | 110.7 | E294 T300 G302 | E294-Q298 HydrophobicContact CG-CG 4.3Å; E294-Q298 WeakPolarHBondContact O-CG 3.46Å; E294-Q298 PolarHBondContact O-N 2.65Å; E294-Q298 PolarHBondContact OE1-NE2 3.03Å; Q298-T300 PolarHBondContact O-N 2.79Å; Q298-G302 PolarHBondContact O-N 3Å; Q298-G302 VanDerWaalsContact O-N 3.08Å |
| 299 | K | 71.2 | Confident | 72 | Confident | 166 Ų | 166 | 104.4 Ų | 104.4 | 72% | 0.722 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -72.8 | -19.1 | 176.6 | -165.8 | 174.8 | -177.6 | 176.8 | 0 | 114.1 | A296 L297 | A296-K299 WeakPolarHBondContact O-CB 3.43Å; A296-K299 PolarHBondContact O-N 2.76Å; L297-K299 PolarHBondContact O-N 3.42Å |
| 300 | T | 72.4 | Confident | 71.3 | Confident | 65 Ų | 65 | 107.6 Ų | 107.6 | 40% | 0.399 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -95.9 | -37.1 | 172.2 | 57.5 | 0 | 0 | 0 | 0 | 112.6 | A296 L297 Q298 G302 K303 L304 | A296-T300 PolarHBondContact O-N 2.66Å; L297-T300 PolarHBondContact O-N 2.71Å; L297-T300 VanDerWaalsContact O-N 3.14Å; L297-T300 PolarHBondContact O-OG1 2.72Å; Q298-T300 PolarHBondContact O-N 2.79Å; T300-G302 PolarHBondContact O-N 2.79Å; T300-K303 WeakPolarHBondContact O-CA 3.21Å; T300-K303 WeakPolarHBondContact O-CB 3.39Å; T300-K303 PolarHBondContact O-N 3.34Å; T300-L304 PolarHBondContact O-N 3.12Å; T300-L304 VanDerWaalsContact O-N 3.11Å |
| 301 | L | 68.1 | Low | 71.1 | Confident | 77 Ų | 77 | 105 Ų | 105 | 40% | 0.403 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.5 | -34.1 | 170.9 | -79.1 | 167.9 | 0 | 0 | 0 | 112.3 | L297 K303 L304 R305 | L297-L301 WeakPolarHBondContact O-CB 3.4Å; L297-L301 WeakPolarHBondContact O-CG 3.26Å; L297-L301 PolarHBondContact O-N 3.46Å; L301-K303 PolarHBondContact O-N 2.74Å; L301-L304 PolarHBondContact O-N 3.49Å; L301-R305 WeakPolarHBondContact O-CB 3.45Å; L301-R305 VanDerWaalsContact O-CG 3.3Å; L301-R305 WeakPolarHBondContact O-CG 3.18Å; L301-R305 PolarHBondContact O-N 3.45Å |
| 302 | G | 71.3 | Confident | 70.5 | Confident | 53 Ų | 53 | 102.9 Ų | 102.9 | 55% | 0.546 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.2 | -21.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q298 T300 | Q298-G302 PolarHBondContact O-N 3Å; Q298-G302 VanDerWaalsContact O-N 3.08Å; T300-G302 PolarHBondContact O-N 2.79Å |
| 303 | K | 72.1 | Confident | 70.1 | Confident | 149 Ų | 149 | 104.7 Ų | 104.7 | 65% | 0.648 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -88 | -52.4 | 172.7 | -56.3 | -176.9 | 179.6 | -174.7 | 0 | 111.1 | T300 L301 R305 A306 | T300-K303 WeakPolarHBondContact O-CA 3.21Å; T300-K303 WeakPolarHBondContact O-CB 3.39Å; T300-K303 PolarHBondContact O-N 3.34Å; L301-K303 PolarHBondContact O-N 2.74Å; K303-R305 PolarHBondContact O-N 2.59Å; K303-A306 WeakPolarHBondContact O-CB 3.16Å; K303-A306 PolarHBondContact O-N 3.4Å |
| 304 | L | 69.6 | Low | 69.5 | Low | 97 Ų | 97 | 106 Ų | 106 | 51% | 0.508 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.7 | -30.5 | -176.1 | -69.9 | 169.2 | 0 | 0 | 0 | 113.4 | T300 L301 A306 E307 L308 | T300-L304 PolarHBondContact O-N 3.12Å; T300-L304 VanDerWaalsContact O-N 3.11Å; L301-L304 PolarHBondContact O-N 3.49Å; L304-A306 PolarHBondContact O-N 3.01Å; L304-E307 PolarHBondContact O-N 3.18Å; L304-E307 VanDerWaalsContact O-N 3.1Å; L304-L308 PolarHBondContact O-N 3Å |
| 305 | R | 75.8 | Confident | 69.1 | Low | 181 Ų | 181 | 103.9 Ų | 103.9 | 68% | 0.683 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.4 | -24.7 | 174.1 | -76.7 | 173.6 | 177.7 | 160.6 | 0.5 | 113.6 | L301 K303 | L301-R305 WeakPolarHBondContact O-CB 3.45Å; L301-R305 VanDerWaalsContact O-CG 3.3Å; L301-R305 WeakPolarHBondContact O-CG 3.18Å; L301-R305 PolarHBondContact O-N 3.45Å; K303-R305 PolarHBondContact O-N 2.59Å |
| 306 | A | 61.2 | Low | 69.2 | Low | 79 Ų | 79 | 112 Ų | 112 | 65% | 0.653 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -78.8 | -22.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K303 L304 | K303-A306 WeakPolarHBondContact O-CB 3.16Å; K303-A306 PolarHBondContact O-N 3.4Å; L304-A306 PolarHBondContact O-N 3.01Å |
| 307 | E | 70.1 | Confident | 68.6 | Low | 127 Ų | 127 | 117.6 Ų | 117.6 | 59% | 0.593 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -90.3 | -39.6 | 178.7 | -72.1 | 175.6 | 116.3 | 0 | 0 | 112.7 | L304 A309 R310 | L304-E307 PolarHBondContact O-N 3.18Å; L304-E307 VanDerWaalsContact O-N 3.1Å; E307-A309 VanDerWaalsContact C-N 3.27Å; E307-A309 PolarHBondContact O-N 3.11Å; E307-R310 VanDerWaalsContact O-CB 3.27Å; E307-R310 WeakPolarHBondContact O-CB 3.33Å; E307-R310 PolarHBondContact O-N 3.11Å |
| 308 | L | 63.9 | Low | 67.6 | Low | 125 Ų | 125 | 118.7 Ų | 118.7 | 65% | 0.654 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -60.5 | -36.5 | -176.6 | -165.5 | 77.7 | 0 | 0 | 0 | 112.7 | L304 R310 V311 | L304-L308 PolarHBondContact O-N 3Å; L308-R310 PolarHBondContact O-N 3.06Å; L308-R310 VanDerWaalsContact O-N 3.1Å; L308-V311 PolarHBondContact O-N 3.19Å; L308-V311 VanDerWaalsContact O-N 3.14Å |
| 309 | A | 70.3 | Confident | 67.2 | Low | 66 Ų | 66 | 123.1 Ų | 123.1 | 55% | 0.545 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.2 | -15.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E307 | E307-A309 VanDerWaalsContact C-N 3.27Å; E307-A309 PolarHBondContact O-N 3.11Å |
| 310 | R | 61.6 | Low | 67.1 | Low | 170 Ų | 170 | 124.6 Ų | 124.6 | 64% | 0.642 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -4.6 | 178.9 | -149.3 | -163.8 | 66.2 | 66.8 | 1.9 | 113.9 | E307 L308 E314 | E307-R310 VanDerWaalsContact O-CB 3.27Å; E307-R310 WeakPolarHBondContact O-CB 3.33Å; E307-R310 PolarHBondContact O-N 3.11Å; L308-R310 PolarHBondContact O-N 3.06Å; L308-R310 VanDerWaalsContact O-N 3.1Å; R310-E314 IonicContact NH1-OE1 3.86Å |
| 311 | V | 70.1 | Confident | 65.9 | Low | 76 Ų | 76 | 130.7 Ų | 130.7 | 46% | 0.461 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -118.5 | -27.4 | -169.3 | -178.9 | 0 | 0 | 0 | 0 | 112.8 | L308 D313 E314 | L308-V311 PolarHBondContact O-N 3.19Å; L308-V311 VanDerWaalsContact O-N 3.14Å; V311-D313 PolarHBondContact O-N 3.3Å; V311-E314 PolarHBondContact O-N 2.78Å |
| 312 | T | 66.1 | Low | 64.5 | Low | 88 Ų | 88 | 131.3 Ų | 131.3 | 54% | 0.54 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.7 | -26.3 | -177.5 | 39.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 313 | D | 65.9 | Low | 64.2 | Low | 136 Ų | 136 | 137.2 Ų | 137.2 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -23.5 | -173.5 | -61.1 | -8.4 | 0 | 0 | 0 | 112.4 | V311 | V311-D313 PolarHBondContact O-N 3.3Š|
| 314 | E | 63.7 | Low | 63.2 | Low | 128 Ų | 128 | 140 Ų | 140 | 60% | 0.598 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -21.1 | -176 | -61.7 | 177 | 170.1 | 0 | 0 | 113.2 | R310 V311 | R310-E314 IonicContact NH1-OE1 3.86Å; V311-E314 PolarHBondContact O-N 2.78Å |
| 315 | A | 64.8 | Low | 61.8 | Low | 62 Ų | 62 | 143.5 Ų | 143.5 | 51% | 0.512 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -94.1 | -9.1 | -163 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 316 | R | 74.6 | Confident | 60.7 | Low | 229 Ų | 229 | 144 Ų | 144 | 86% | 0.864 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -78.7 | -24.6 | -166.8 | -165.3 | 170.6 | -176.1 | 158 | 0.8 | 114.4 | N318 | R316-N318 VanDerWaalsContact C-N 3.34Å; R316-N318 PolarHBondContact O-N 2.73Å |
| 317 | E | 62.1 | Low | 59.9 | Low | 176 Ų | 176 | 145.2 Ų | 145.2 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -74 | -12.7 | -162.3 | -155.2 | 171.9 | -171.1 | 0 | 0 | 115.7 | ||
| 318 | N | 49.7 | Very low | 58.3 | Low | 124 Ų | 124 | 144.1 Ų | 144.1 | 66% | 0.663 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -99.5 | -13.3 | -159.8 | -85.1 | -63.5 | 0 | 0 | 0 | 118.1 | R316 | R316-N318 VanDerWaalsContact C-N 3.34Å; R316-N318 PolarHBondContact O-N 2.73Å |
| 319 | R | 65.8 | Low | 56.6 | Low | 211 Ų | 211 | 146.6 Ų | 146.6 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | trans | -87.3 | -19.3 | -158.2 | -77.2 | -167.3 | 174.9 | 95.4 | -2 | 118.6 | K321 | R319-K321 VanDerWaalsContact C-N 3.33Å; R319-K321 PolarHBondContact O-N 3.17Å; R319-K321 VanDerWaalsContact O-N 3.08Å | ||
| 320 | E | 69 | Low | 55.5 | Low | 198 Ų | 198 | 147.3 Ų | 147.3 | 93% | 0.925 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 4 | -155.6 | -59.5 | -173.2 | 136.1 | 0 | 0 | 117.5 | ||
| 321 | K | 47.9 | Very low | 54.4 | Low | 193 Ų | 193 | 146 Ų | 146 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -2.3 | -156.7 | -65.5 | 174.9 | -178.6 | 167.1 | 0 | 117.9 | R319 | R319-K321 VanDerWaalsContact C-N 3.33Å; R319-K321 PolarHBondContact O-N 3.17Å; R319-K321 VanDerWaalsContact O-N 3.08Å |
| 322 | S | 39.8 | Very low | 52.5 | Low | 90 Ų | 90 | 146.1 Ų | 146.1 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | trans | -100.9 | -28.5 | -149.3 | -158 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 323 | H | 63.7 | Low | 50.7 | Low | 176 Ų | 176 | 150.9 Ų | 150.9 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | trans | -117.5 | 44.1 | -146.9 | -86.8 | -66.8 | 0 | 0 | 0 | 119.8 | ||||
| 324 | K | 52.6 | Low | 49.5 | Very low | 208 Ų | 208 | 147.6 Ų | 147.6 | 90% | 0.904 | 80% | 0.798 | S | S | * | * | trans | -108.2 | 20.3 | -172 | -73 | -172.1 | 174.3 | -179.3 | 0 | 119 | ||||
| 325 | L | 39.8 | Very low | 48.2 | Very low | 171 Ų | 171 | 147.3 Ų | 147.3 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -123.9 | 6.1 | -156.1 | -77.6 | 169.9 | 0 | 0 | 0 | 121.5 | ||||
| 326 | Q | 51.6 | Low | 46.5 | Very low | 190 Ų | 190 | 152.2 Ų | 152.2 | 89% | 0.888 | 83% | 0.826 | S | S | * | * | trans | -110.1 | 10.6 | -151.3 | -158.5 | 165.4 | -12.5 | 0 | 0 | 120.8 | ||||
| 327 | A | 45.3 | Very low | 44.7 | Very low | 105 Ų | 105 | 150.4 Ų | 150.4 | 87% | 0.868 | 82% | 0.824 | S | S | * | * | trans | -115.7 | 21.8 | -144.5 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 328 | A | 35.5 | Very low | 43.4 | Very low | 105 Ų | 105 | 148.7 Ų | 148.7 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | trans | -130.8 | 19.9 | -151.2 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 329 | L | 28.7 | Very low | 42.8 | Very low | 176 Ų | 176 | 151 Ų | 151 | 92% | 0.921 | 83% | 0.832 | S | S | * | * | trans | -115.9 | -19.4 | -159.4 | -160.9 | 60.1 | 0 | 0 | 0 | 121.5 | ||||
| 330 | G | 46.5 | Very low | 41.5 | Very low | 82 Ų | 82 | 147.8 Ų | 147.8 | 85% | 0.845 | 84% | 0.836 | S | S | * | * | trans | -96.9 | 17.4 | -141 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 331 | T | 39.4 | Very low | 40.2 | Very low | 141 Ų | 141 | 148.1 Ų | 148.1 | 87% | 0.865 | 83% | 0.834 | S | S | * | * | trans | -123.4 | 106.6 | -164.6 | 54.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 332 | A | 30.2 | Very low | 39.6 | Very low | 79 Ų | 79 | 147.8 Ų | 147.8 | 65% | 0.653 | 84% | 0.836 | S | S | * | * | trans | -161.8 | 158.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 333 | E | 28.8 | Very low | 39.8 | Very low | 188 Ų | 188 | 150.7 Ų | 150.7 | 88% | 0.879 | 84% | 0.843 | S | S | * | * | trans | 53.5 | 134.9 | 150.9 | -65.5 | 145.3 | -141.1 | 0 | 0 | 121.9 | ||||
| 334 | G | 40 | Very low | 38.7 | Very low | 68 Ų | 68 | 149.8 Ų | 149.8 | 70% | 0.701 | 85% | 0.845 | S | S | * | * | cis | 111.3 | 107.9 | -25.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 335 | S | 35.8 | Very low | 38.3 | Very low | 121 Ų | 121 | 148 Ų | 148 | 85% | 0.846 | 84% | 0.839 | S | S | * | * | trans | 149.6 | 177 | 147.8 | -71.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 336 | I | 30 | Very low | 38.7 | Very low | 166 Ų | 166 | 145.9 Ų | 145.9 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | trans | 90 | 126.5 | 168.6 | -54.5 | 170.3 | 0 | 0 | 0 | 116.8 | ||||
| 337 | K | 36.3 | Very low | 38.5 | Very low | 191 Ų | 191 | 142.9 Ų | 142.9 | 83% | 0.83 | 83% | 0.828 | S | S | * | * | trans | -158.9 | -1.9 | -172.4 | -130.4 | 175.8 | -179.1 | -180 | 0 | 121.7 | ||||
| 338 | D | 35.4 | Very low | 38.7 | Very low | 140 Ų | 140 | 146.5 Ų | 146.5 | 75% | 0.749 | 83% | 0.827 | S | S | * | * | trans | -126.5 | 69.3 | -140.9 | -47.5 | -80.1 | 0 | 0 | 0 | 119.7 | ||||
| 339 | L | 37.1 | Very low | 39 | Very low | 173 Ų | 173 | 149.1 Ų | 149.1 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | trans | -147.2 | 87 | 177 | -75.3 | 177.4 | 0 | 0 | 0 | 116.8 | ||||
| 340 | T | 37.2 | Very low | 39.6 | Very low | 142 Ų | 142 | 146.3 Ų | 146.3 | 87% | 0.871 | 82% | 0.821 | S | S | * | * | trans | -156 | 84.6 | 179.9 | -41.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 341 | K | 41.9 | Very low | 39.5 | Very low | 206 Ų | 206 | 151.5 Ų | 151.5 | 90% | 0.896 | 82% | 0.824 | S | S | * | * | trans | -163.3 | 21.6 | -175 | -133.3 | -158 | 172.3 | -170.9 | 0 | 125.9 | ||||
| 342 | Q | 36.4 | Very low | 39.8 | Very low | 186 Ų | 186 | 152.2 Ų | 152.2 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | trans | -146.9 | 106.3 | -174.6 | -66.1 | 178 | -21.3 | 0 | 0 | 115.2 | ||||
| 343 | L | 43.4 | Very low | 41.1 | Very low | 150 Ų | 150 | 156.7 Ų | 156.7 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | trans | -164.2 | -28.2 | 167.4 | -155.3 | 52 | 0 | 0 | 0 | 119.7 | E345 | L343-E345 PolarHBondContact O-N 2.65Å; L343-E345 VanDerWaalsContact O-N 3.13Å | ||
| 344 | D | 40.5 | Very low | 42.1 | Very low | 158 Ų | 158 | 156.4 Ų | 156.4 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | trans | -80.7 | 6.1 | -153.3 | -57.6 | -57.9 | 0 | 0 | 0 | 118.1 | V346 | D344-V346 PolarHBondContact O-N 2.79Š| ||
| 345 | E | 45.5 | Very low | 42.6 | Very low | 169 Ų | 169 | 160.8 Ų | 160.8 | 79% | 0.79 | 84% | 0.836 | S | S | * | * | trans | -108.5 | 56.1 | -145.1 | -60.5 | 168.5 | 85.8 | 0 | 0 | 114.9 | L343 | L343-E345 PolarHBondContact O-N 2.65Å; L343-E345 VanDerWaalsContact O-N 3.13Å | ||
| 346 | V | 46.6 | Very low | 43 | Very low | 127 Ų | 127 | 166.8 Ų | 166.8 | 77% | 0.77 | 84% | 0.84 | S | S | * | * | trans | -132.3 | -78.4 | -165.9 | -159.1 | 0 | 0 | 0 | 0 | 120.1 | D344 | D344-V346 PolarHBondContact O-N 2.79Š| ||
| 347 | T | 48.6 | Very low | 43.5 | Very low | 128 Ų | 128 | 168.1 Ų | 168.1 | 79% | 0.785 | 84% | 0.843 | S | S | * | * | trans | -110.6 | 130.4 | -149 | 52.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 348 | Q | 48 | Very low | 44.2 | Very low | 180 Ų | 180 | 168.1 Ų | 168.1 | 84% | 0.841 | 84% | 0.843 | S | S | * | * | trans | -160.1 | 9.3 | 174.9 | -140 | 175.1 | -5.9 | 0 | 0 | 120 | ||||
| 349 | N | 43.4 | Very low | 44.6 | Very low | 160 Ų | 160 | 171.1 Ų | 171.1 | 86% | 0.856 | 85% | 0.853 | S | S | * | * | trans | -125.3 | 100.7 | -159.3 | -59.2 | -39 | 0 | 0 | 0 | 116.8 | ||||
| 350 | S | 40.2 | Very low | 45.3 | Very low | 117 Ų | 117 | 167.8 Ų | 167.8 | 82% | 0.818 | 85% | 0.85 | S | S | * | * | trans | -162.5 | 10.7 | 171.9 | -157.3 | 0 | 0 | 0 | 0 | 121.7 | I352 | S350-I352 PolarHBondContact O-N 3.32Š| ||
| 351 | E | 44 | Very low | 45.9 | Very low | 192 Ų | 192 | 168.9 Ų | 168.9 | 90% | 0.897 | 85% | 0.845 | S | S | * | * | trans | -90.4 | 18.7 | -156.4 | -59.2 | 179.6 | 125.3 | 0 | 0 | 119.7 | ||||
| 352 | I | 46.3 | Very low | 46.4 | Very low | 156 Ų | 156 | 164.9 Ų | 164.9 | 80% | 0.8 | 84% | 0.841 | S | S | * | * | trans | -98.1 | -4.6 | -149.4 | -74.9 | 173.7 | 0 | 0 | 0 | 119.5 | S350 | S350-I352 PolarHBondContact O-N 3.32Š| ||
| 353 | I | 57.6 | Low | 46.8 | Very low | 173 Ų | 173 | 165 Ų | 165 | 89% | 0.887 | 84% | 0.842 | S | S | * | * | trans | -108.6 | 60.5 | -161.3 | -41.7 | -176.6 | 0 | 0 | 0 | 115.4 | ||||
| 354 | E | 49.1 | Very low | 46.7 | Very low | 181 Ų | 181 | 165.8 Ų | 165.8 | 85% | 0.846 | 85% | 0.846 | S | S | * | * | trans | -105.8 | -25.5 | -171.4 | -165.7 | 177.6 | -153.8 | 0 | 0 | 116.9 | R356 | E354-R356 PolarHBondContact O-N 3.33Š| ||
| 355 | I | 52.1 | Low | 47.4 | Very low | 160 Ų | 160 | 167.1 Ų | 167.1 | 82% | 0.821 | 85% | 0.847 | S | S | * | * | trans | -88.5 | -2.7 | -139.1 | -69.4 | 174 | 0 | 0 | 0 | 118.1 | ||||
| 356 | R | 43.8 | Very low | 47.7 | Very low | 247 Ų | 247 | 163.1 Ų | 163.1 | 93% | 0.932 | 84% | 0.843 | S | S | * | * | trans | -109 | 15.5 | -146.5 | -122 | -177 | -166.1 | -178.2 | 5.1 | 122.4 | E354 | E354-R356 PolarHBondContact O-N 3.33Š| ||
| 357 | Q | 41 | Very low | 48 | Very low | 195 Ų | 195 | 159.9 Ų | 159.9 | 91% | 0.911 | 83% | 0.83 | S | S | * | * | trans | -142.6 | 76.3 | -176.6 | -164.9 | 173.8 | 4.9 | 0 | 0 | 114.5 | ||||
| 358 | K | 49.4 | Very low | 48 | Very low | 190 Ų | 190 | 164 Ų | 164 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | trans | -150.2 | 25.6 | -175.4 | -144.5 | 175.8 | -177 | 177.9 | 0 | 116.5 | ||||
| 359 | E | 44.4 | Very low | 48.3 | Very low | 204 Ų | 204 | 162.6 Ų | 162.6 | 95% | 0.953 | 83% | 0.829 | S | S | * | * | trans | -124 | 40.5 | -168.5 | -60.2 | -178.9 | 130.9 | 0 | 0 | 113.6 | ||||
| 360 | A | 51.9 | Low | 49 | Very low | 102 Ų | 102 | 164.1 Ų | 164.1 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -134.5 | 26.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 361 | E | 50.2 | Low | 49.5 | Very low | 165 Ų | 165 | 164 Ų | 164 | 77% | 0.771 | 82% | 0.817 | S | S | * | * | trans | -90.7 | -179.3 | 175.4 | -62.2 | 178.7 | 150.1 | 0 | 0 | 111.9 | ||||
| 362 | C | 52 | Low | 49.7 | Very low | 122 Ų | 122 | 163.2 Ų | 163.2 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | 95.4 | -8.8 | 149.8 | -59.7 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 363 | E | 44.8 | Very low | 49.9 | Very low | 189 Ų | 189 | 163.5 Ų | 163.5 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -102.7 | -17.3 | -172.6 | -75 | -155.6 | 154.1 | 0 | 0 | 119.8 | ||
| 364 | L | 42.3 | Very low | 49.6 | Very low | 166 Ų | 166 | 163 Ų | 163 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -92.2 | -1.7 | -167.5 | -134 | 78.3 | 0 | 0 | 0 | 117.2 | A366 | L364-A366 VanDerWaalsContact C-N 3.32Å; L364-A366 PolarHBondContact O-N 3.35Å |
| 365 | E | 55 | Low | 49.5 | Very low | 187 Ų | 187 | 158.6 Ų | 158.6 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -23.7 | -171.1 | -146.4 | 73.8 | -161.9 | 0 | 0 | 114.1 | A367 | E365-A367 PolarHBondContact O-N 2.72Š|
| 366 | A | 51.7 | Low | 49.6 | Very low | 85 Ų | 85 | 156.2 Ų | 156.2 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 15.4 | -161.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | L364 | L364-A366 VanDerWaalsContact C-N 3.32Å; L364-A366 PolarHBondContact O-N 3.35Å |
| 367 | A | 52.8 | Low | 50.3 | Low | 59 Ų | 59 | 152 Ų | 152 | 49% | 0.488 | 78% | 0.783 | S | S | . | * | S | Bend | trans | -97.5 | -31.6 | -158.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | E365 | E365-A367 PolarHBondContact O-N 2.72Š|
| 368 | R | 48 | Very low | 51 | Low | 215 Ų | 215 | 149.8 Ų | 149.8 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -119.9 | -3.7 | -157 | -81.6 | -175.4 | 171.7 | 167.6 | -0.7 | 119.7 | R370 V371 | R368-R370 PolarHBondContact O-N 2.74Å; R368-V371 PolarHBondContact O-N 2.73Å |
| 369 | D | 54.3 | Low | 50.9 | Low | 149 Ų | 149 | 148.5 Ų | 148.5 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -62.1 | -9 | 174.1 | -66.2 | -41.7 | 0 | 0 | 0 | 114.8 | V371 | D369-V371 VanDerWaalsContact C-N 3.29Å; D369-V371 PolarHBondContact O-N 3.35Å |
| 370 | R | 57.1 | Low | 51.2 | Low | 193 Ų | 193 | 145.7 Ų | 145.7 | 73% | 0.728 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -73 | -9.1 | -179.4 | -80.1 | 176.1 | -91.1 | -166.8 | -10.6 | 115.4 | R368 | R368-R370 PolarHBondContact O-N 2.74Š|
| 371 | V | 51.4 | Low | 51.2 | Low | 115 Ų | 115 | 149.6 Ų | 149.6 | 70% | 0.697 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -85.7 | -23.2 | -176.3 | -178.8 | 0 | 0 | 0 | 0 | 113 | R368 D369 Q373 | R368-V371 PolarHBondContact O-N 2.73Å; D369-V371 VanDerWaalsContact C-N 3.29Å; D369-V371 PolarHBondContact O-N 3.35Å; V371-Q373 PolarHBondContact O-N 2.82Å |
| 372 | Q | 47.7 | Very low | 51.1 | Low | 174 Ų | 174 | 146 Ų | 146 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -12.6 | -168.5 | -151 | 83.7 | -9 | 0 | 0 | 114.9 | ||
| 373 | Q | 52.2 | Low | 51.1 | Low | 162 Ų | 162 | 144.4 Ų | 144.4 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | -8.1 | -165.6 | -71 | -172.8 | -13 | 0 | 0 | 116.4 | V371 A375 | V371-Q373 PolarHBondContact O-N 2.82Å; Q373-A375 VanDerWaalsContact C-N 3.31Å; Q373-A375 PolarHBondContact O-N 2.77Å |
| 374 | Q | 49.7 | Very low | 51.4 | Low | 164 Ų | 164 | 143 Ų | 143 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 2.5 | -175 | -65.2 | -170.1 | -57.6 | 0 | 0 | 115 | ||
| 375 | A | 48 | Very low | 51.9 | Low | 87 Ų | 87 | 141.7 Ų | 141.7 | 72% | 0.719 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -8.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q373 | Q373-A375 VanDerWaalsContact C-N 3.31Å; Q373-A375 PolarHBondContact O-N 2.77Å |
| 376 | T | 54.3 | Low | 51.6 | Low | 110 Ų | 110 | 137.7 Ų | 137.7 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -112 | -15.3 | -165.6 | 46.5 | 0 | 0 | 0 | 0 | 116.2 | I378 | T376-I378 PolarHBondContact O-N 3.35Š|
| 377 | E | 58.3 | Low | 51.7 | Low | 158 Ų | 158 | 137.7 Ų | 137.7 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -76.5 | -15.7 | -175.4 | -69.9 | -165.3 | 122.2 | 0 | 0 | 115.1 | L379 L380 | E377-L379 PolarHBondContact O-N 3.41Å; E377-L380 PolarHBondContact O-N 2.83Å |
| 378 | I | 55.2 | Low | 51.9 | Low | 149 Ų | 149 | 141.1 Ų | 141.1 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -64.9 | -24.6 | -173.9 | -67.2 | 176 | 0 | 0 | 0 | 112.5 | T376 L380 | T376-I378 PolarHBondContact O-N 3.35Å; I378-L380 VanDerWaalsContact C-N 3.28Å; I378-L380 PolarHBondContact O-N 2.75Å |
| 379 | L | 48.2 | Very low | 52.3 | Low | 164 Ų | 164 | 137.9 Ų | 137.9 | 86% | 0.859 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -72.3 | -8.1 | -176.9 | -86.4 | 163.8 | 0 | 0 | 0 | 115.5 | E377 | E377-L379 PolarHBondContact O-N 3.41Š|
| 380 | L | 50.9 | Low | 52.4 | Low | 145 Ų | 145 | 134.3 Ų | 134.3 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -102 | -0.8 | -168.5 | -104.3 | 162.3 | 0 | 0 | 0 | 116.4 | E377 I378 | E377-L380 PolarHBondContact O-N 2.83Å; I378-L380 VanDerWaalsContact C-N 3.28Å; I378-L380 PolarHBondContact O-N 2.75Å |
| 381 | K | 51.4 | Low | 52.4 | Low | 184 Ų | 184 | 129.3 Ų | 129.3 | 80% | 0.8 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -90.5 | 1.5 | -175.2 | -72.9 | -172.7 | 175.7 | 179.4 | 0 | 116.2 | S383 | K381-S383 VanDerWaalsContact C-N 3.34Å; K381-S383 PolarHBondContact O-N 3.46Å |
| 382 | A | 48.7 | Very low | 53 | Low | 88 Ų | 88 | 129 Ų | 129 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -78 | -9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 383 | S | 50.8 | Low | 53.6 | Low | 90 Ų | 90 | 126.5 Ų | 126.5 | 63% | 0.629 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -87.9 | -3.8 | -167.6 | 54.9 | 0 | 0 | 0 | 0 | 116.1 | K381 | K381-S383 VanDerWaalsContact C-N 3.34Å; K381-S383 PolarHBondContact O-N 3.46Å |
| 384 | Q | 50.6 | Low | 54.1 | Low | 159 Ų | 159 | 123.8 Ų | 123.8 | 74% | 0.743 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -91 | -1.2 | -169.9 | -69.2 | -175.1 | -25.8 | 0 | 0 | 115.5 | S387 | Q384-S387 PolarHBondContact O-OG 2.71Š|
| 385 | I | 53.1 | Low | 54.4 | Low | 139 Ų | 139 | 122.7 Ų | 122.7 | 71% | 0.713 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -76.6 | -29 | -177.2 | -65.5 | 175.9 | 0 | 0 | 0 | 112.4 | S387 | I385-S387 PolarHBondContact O-N 3.42Š|
| 386 | S | 50.4 | Low | 55.3 | Low | 102 Ų | 102 | 122 Ų | 122 | 71% | 0.713 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -69.4 | -5.5 | -171.5 | -46.2 | 0 | 0 | 0 | 0 | 115.8 | ||
| 387 | S | 52.5 | Low | 55.8 | Low | 86 Ų | 86 | 119.2 Ų | 119.2 | 60% | 0.601 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -85.3 | -22.2 | -177.1 | 57 | 0 | 0 | 0 | 0 | 114.1 | Q384 I385 Q389 | Q384-S387 PolarHBondContact O-OG 2.71Å; I385-S387 PolarHBondContact O-N 3.42Å; S387-Q389 VanDerWaalsContact C-N 3.3Å; S387-Q389 PolarHBondContact O-N 2.76Å |
| 388 | L | 57 | Low | 56.1 | Low | 130 Ų | 130 | 114.8 Ų | 114.8 | 68% | 0.681 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -73.7 | -17.4 | -176.4 | -75.9 | 166 | 0 | 0 | 0 | 114.1 | A390 T391 | L388-A390 VanDerWaalsContact C-N 3.28Å; L388-A390 PolarHBondContact O-N 2.92Å; L388-T391 PolarHBondContact O-OG1 3.04Å |
| 389 | Q | 56.9 | Low | 56.4 | Low | 147 Ų | 147 | 112.9 Ų | 112.9 | 69% | 0.687 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -73.3 | -19.5 | -178 | -160.6 | 168.8 | 5.2 | 0 | 0 | 113.1 | S387 | S387-Q389 VanDerWaalsContact C-N 3.3Å; S387-Q389 PolarHBondContact O-N 2.76Å |
| 390 | A | 55.1 | Low | 57.4 | Low | 75 Ų | 75 | 112 Ų | 112 | 62% | 0.62 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -74.5 | -26.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L388 | L388-A390 VanDerWaalsContact C-N 3.28Å; L388-A390 PolarHBondContact O-N 2.92Å |
| 391 | T | 57.6 | Low | 58.1 | Low | 88 Ų | 88 | 110.7 Ų | 110.7 | 54% | 0.54 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86 | -11.7 | -179 | 41.7 | 0 | 0 | 0 | 0 | 114.2 | L388 T394 | L388-T391 PolarHBondContact O-OG1 3.04Å; T391-T394 PolarHBondContact O-OG1 2.71Å |
| 392 | Q | 65.4 | Low | 58.8 | Low | 109 Ų | 109 | 108.5 Ų | 108.5 | 51% | 0.509 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.2 | -45.5 | 176.1 | -177.2 | -179.7 | -27.6 | 0 | 0 | 111.5 | T394 Q395 E396 | Q392-T394 PolarHBondContact O-N 2.89Å; Q392-Q395 PolarHBondContact O-N 2.74Å; Q392-E396 PolarHBondContact NE2-OE1 2.82Å; Q392-E396 PolarHBondContact O-N 2.98Å |
| 393 | M | 59.7 | Low | 59.6 | Low | 121 Ų | 121 | 106.7 Ų | 106.7 | 60% | 0.596 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -24.8 | -174.9 | -66.5 | -64.9 | -64.2 | 0 | 0 | 114.5 | ||
| 394 | T | 61.5 | Low | 60.4 | Low | 104 Ų | 104 | 107.3 Ų | 107.3 | 64% | 0.638 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -21.5 | 178.9 | 48.9 | 0 | 0 | 0 | 0 | 113.6 | T391 Q392 | T391-T394 PolarHBondContact O-OG1 2.71Å; Q392-T394 PolarHBondContact O-N 2.89Å |
| 395 | Q | 57.6 | Low | 61.2 | Low | 142 Ų | 142 | 105.1 Ų | 105.1 | 66% | 0.664 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -79.9 | -30.8 | 174.1 | -62.1 | -173.5 | -6 | 0 | 0 | 111.5 | Q392 A397 A398 | Q392-Q395 PolarHBondContact O-N 2.74Å; Q395-A397 PolarHBondContact O-N 2.76Å; Q395-A397 VanDerWaalsContact O-N 3.15Å; Q395-A398 PolarHBondContact O-N 2.98Å |
| 396 | E | 66.9 | Low | 61.8 | Low | 73 Ų | 73 | 105.3 Ų | 105.3 | 34% | 0.341 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.3 | -7.3 | 177.1 | -65.8 | 177.6 | -176.7 | 0 | 0 | 114.3 | Q392 R400 | Q392-E396 PolarHBondContact NE2-OE1 2.82Å; Q392-E396 PolarHBondContact O-N 2.98Å; E396-R400 VanDerWaalsContact O-CZ 3.31Å; E396-R400 PolarHBondContact O-NE 2.66Å; E396-R400 PolarHBondContact O-NH2 3.08Å |
| 397 | A | 64.6 | Low | 62.6 | Low | 50 Ų | 50 | 102.7 Ų | 102.7 | 41% | 0.413 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -81 | -53.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q395 I399 R400 | Q395-A397 PolarHBondContact O-N 2.76Å; Q395-A397 VanDerWaalsContact O-N 3.15Å; A397-I399 PolarHBondContact O-N 2.75Å; A397-R400 PolarHBondContact O-N 3.42Å |
| 398 | A | 63.8 | Low | 63.5 | Low | 66 Ų | 66 | 107.1 Ų | 107.1 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.5 | -24.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q395 R400 | Q395-A398 PolarHBondContact O-N 2.98Å; A398-R400 VanDerWaalsContact C-N 3.35Å |
| 399 | I | 61.7 | Low | 63.8 | Low | 108 Ų | 108 | 106.7 Ų | 106.7 | 55% | 0.554 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.9 | -34.4 | 175 | -65.8 | 171.9 | 0 | 0 | 0 | 111.6 | A397 D403 | A397-I399 PolarHBondContact O-N 2.75Å; I399-D403 PolarHBondContact O-N 2.73Å; I399-D403 VanDerWaalsContact O-N 3.13Å |
| 400 | R | 69.4 | Low | 64.1 | Low | 147 Ų | 147 | 105.1 Ų | 105.1 | 56% | 0.555 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.6 | -37.2 | -174.7 | -87.2 | 171.8 | -86.4 | 178 | -11 | 113.6 | E396 A397 A398 D403 N404 | E396-R400 VanDerWaalsContact O-CZ 3.31Å; E396-R400 PolarHBondContact O-NE 2.66Å; E396-R400 PolarHBondContact O-NH2 3.08Å; A397-R400 PolarHBondContact O-N 3.42Å; A398-R400 VanDerWaalsContact C-N 3.35Å; R400-D403 WeakPolarHBondContact O-CB 3.14Å; R400-D403 PolarHBondContact O-N 2.74Å; R400-D403 VanDerWaalsContact O-N 3.12Å; R400-N404 PolarHBondContact O-N 2.71Å; R400-N404 VanDerWaalsContact O-N 3.12Å; R400-N404 PolarHBondContact O-ND2 2.84Å |
| 401 | D | 64.6 | Low | 64.7 | Low | 117 Ų | 117 | 106 Ų | 106 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -72.5 | -31.2 | 179.8 | -65.6 | -35 | 0 | 0 | 0 | 112.2 | D403 | D401-D403 VanDerWaalsContact C-N 3.32Å |
| 402 | L | 66.1 | Low | 65.1 | Low | 137 Ų | 137 | 109 Ų | 109 | 72% | 0.717 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.4 | -28.6 | 168.4 | -68 | 172.6 | 0 | 0 | 0 | 112.5 | R406 | L402-R406 WeakPolarHBondContact O-CB 3.43Å; L402-R406 PolarHBondContact O-N 3.36Å; L402-R406 VanDerWaalsContact O-N 3.11Å |
| 403 | D | 66.3 | Low | 65.1 | Low | 51 Ų | 51 | 107.3 Ų | 107.3 | 27% | 0.273 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -74 | -30.7 | 177.2 | -147.9 | -17.1 | 0 | 0 | 0 | 112.9 | I399 R400 D401 R406 S407 | I399-D403 PolarHBondContact O-N 2.73Å; I399-D403 VanDerWaalsContact O-N 3.13Å; R400-D403 WeakPolarHBondContact O-CB 3.14Å; R400-D403 PolarHBondContact O-N 2.74Å; R400-D403 VanDerWaalsContact O-N 3.12Å; D401-D403 VanDerWaalsContact C-N 3.32Å; D403-R406 WeakPolarHBondContact O-CB 3.28Å; D403-R406 PolarHBondContact O-N 3.43Å; D403-R406 IonicContact OD1-CZ 2.72Å; D403-R406 IonicContact OD1-NE 3.75Å; D403-R406 PolarHBondContact OD1-NE 3.19Å; D403-R406 IonicContact OD1-NH2 3.98Å; D403-R406 PolarHBondContact OD1-NH2 3.41Å; D403-R406 IonicContact OD2-CZ 3.63Å; D403-R406 IonicContact OD2-NH2 3.13Å; D403-R406 PolarHBondContact OD2-NH2 2.68Å; D403-S407 WeakPolarHBondContact O-CB 3.39Å; D403-S407 PolarHBondContact O-N 3.44Å; D403-S407 PolarHBondContact O-OG 3.21Å |
| 404 | N | 67.8 | Low | 65.5 | Low | 102 Ų | 102 | 105.2 Ų | 105.2 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 175.6 | -71 | -38.9 | 0 | 0 | 0 | 112 | R400 S407 R408 | R400-N404 PolarHBondContact O-N 2.71Å; R400-N404 VanDerWaalsContact O-N 3.12Å; R400-N404 PolarHBondContact O-ND2 2.84Å; N404-S407 WeakPolarHBondContact O-CB 3.4Å; N404-S407 PolarHBondContact O-N 3.1Å; N404-R408 PolarHBondContact O-N 2.9Å; N404-R408 VanDerWaalsContact O-N 3.17Å |
| 405 | E | 67.9 | Low | 66 | Low | 113 Ų | 113 | 107.5 Ų | 107.5 | 53% | 0.528 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -74.2 | -31.9 | 176.4 | -141.9 | 61.7 | -146.6 | 0 | 0 | 111.8 | S407 R408 L409 | E405-S407 VanDerWaalsContact C-N 3.3Å; E405-S407 PolarHBondContact O-N 2.9Å; E405-R408 PolarHBondContact O-N 2.82Å; E405-L409 PolarHBondContact O-N 2.92Å |
| 406 | R | 64.8 | Low | 66.6 | Low | 144 Ų | 144 | 107.3 Ų | 107.3 | 54% | 0.543 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.6 | -42.6 | 167.3 | -178.1 | 175.4 | 76.1 | 160.4 | -1.1 | 111.6 | L402 D403 L409 K410 | L402-R406 WeakPolarHBondContact O-CB 3.43Å; L402-R406 PolarHBondContact O-N 3.36Å; L402-R406 VanDerWaalsContact O-N 3.11Å; D403-R406 WeakPolarHBondContact O-CB 3.28Å; D403-R406 PolarHBondContact O-N 3.43Å; D403-R406 IonicContact OD1-CZ 2.72Å; D403-R406 IonicContact OD1-NE 3.75Å; D403-R406 PolarHBondContact OD1-NE 3.19Å; D403-R406 IonicContact OD1-NH2 3.98Å; D403-R406 PolarHBondContact OD1-NH2 3.41Å; D403-R406 IonicContact OD2-CZ 3.63Å; D403-R406 IonicContact OD2-NH2 3.13Å; D403-R406 PolarHBondContact OD2-NH2 2.68Å; R406-L409 PolarHBondContact O-N 3.35Å; R406-K410 WeakPolarHBondContact O-CB 3.35Å; R406-K410 PolarHBondContact O-N 2.99Å |
| 407 | S | 66.9 | Low | 66.5 | Low | 46 Ų | 46 | 107.3 Ų | 107.3 | 32% | 0.322 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 178.9 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | D403 N404 E405 L409 K410 D411 | D403-S407 WeakPolarHBondContact O-CB 3.39Å; D403-S407 PolarHBondContact O-N 3.44Å; D403-S407 PolarHBondContact O-OG 3.21Å; N404-S407 WeakPolarHBondContact O-CB 3.4Å; N404-S407 PolarHBondContact O-N 3.1Å; E405-S407 VanDerWaalsContact C-N 3.3Å; E405-S407 PolarHBondContact O-N 2.9Å; S407-L409 PolarHBondContact O-N 3.08Å; S407-K410 WeakPolarHBondContact O-CA 3.49Å; S407-K410 WeakPolarHBondContact O-CB 3.4Å; S407-K410 PolarHBondContact O-N 3.27Å; S407-K410 VanDerWaalsContact O-N 3.14Å; S407-D411 PolarHBondContact O-N 3.38Å |
| 408 | R | 70.9 | Confident | 66.8 | Low | 180 Ų | 180 | 110.3 Ų | 110.3 | 68% | 0.679 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -70.2 | -30.4 | -179.3 | -144.8 | 176.9 | -162.3 | 169.7 | 5.7 | 114.2 | N404 E405 | N404-R408 PolarHBondContact O-N 2.9Å; N404-R408 VanDerWaalsContact O-N 3.17Å; E405-R408 PolarHBondContact O-N 2.82Å |
| 409 | L | 63.7 | Low | 67.1 | Low | 120 Ų | 120 | 113.8 Ų | 113.8 | 63% | 0.628 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -76.8 | -35.8 | 168.7 | -71.6 | 171.4 | 0 | 0 | 0 | 111.5 | E405 R406 S407 D411 K412 V413 | E405-L409 PolarHBondContact O-N 2.92Å; R406-L409 PolarHBondContact O-N 3.35Å; S407-L409 PolarHBondContact O-N 3.08Å; L409-D411 PolarHBondContact O-N 2.92Å; L409-K412 PolarHBondContact O-N 3.36Å; L409-K412 VanDerWaalsContact O-N 3.15Å; L409-V413 WeakPolarHBondContact O-CG2 3.45Å; L409-V413 PolarHBondContact O-N 3.39Å |
| 410 | K | 62.9 | Low | 67.4 | Low | 114 Ų | 114 | 114.8 Ų | 114.8 | 50% | 0.496 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -52.8 | -47.9 | 170 | -108.1 | -177.9 | 174.9 | -173.1 | 0 | 112 | R406 S407 K412 V413 L414 | R406-K410 WeakPolarHBondContact O-CB 3.35Å; R406-K410 PolarHBondContact O-N 2.99Å; S407-K410 WeakPolarHBondContact O-CA 3.49Å; S407-K410 WeakPolarHBondContact O-CB 3.4Å; S407-K410 PolarHBondContact O-N 3.27Å; S407-K410 VanDerWaalsContact O-N 3.14Å; K410-K412 PolarHBondContact O-N 3.2Å; K410-V413 CarbonylContact O-C 3.4Å; K410-V413 PolarHBondContact O-N 2.73Å; K410-V413 VanDerWaalsContact O-N 3.12Å; K410-L414 VanDerWaalsContact O-CB 3.26Å; K410-L414 WeakPolarHBondContact O-CB 3.47Å; K410-L414 WeakPolarHBondContact O-CG 3.39Å; K410-L414 PolarHBondContact O-N 3.32Å |
| 411 | D | 69.1 | Low | 67.1 | Low | 93 Ų | 93 | 112.9 Ų | 112.9 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.4 | -9 | -178.8 | -65.9 | -14.4 | 0 | 0 | 0 | 115.3 | S407 L409 R415 | S407-D411 PolarHBondContact O-N 3.38Å; L409-D411 PolarHBondContact O-N 2.92Å; D411-R415 PolarHBondContact O-NE 2.86Å; D411-R415 VanDerWaalsContact O-NE 3.09Å; D411-R415 PolarHBondContact O-NH2 2.89Å; D411-R415 VanDerWaalsContact O-NH2 3.07Å |
| 412 | K | 65.6 | Low | 67.4 | Low | 151 Ų | 151 | 110 Ų | 110 | 66% | 0.657 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -104.7 | -30.8 | 174.5 | -160.9 | 176.5 | -176.3 | -177.1 | 0 | 112.1 | L409 K410 M416 | L409-K412 PolarHBondContact O-N 3.36Å; L409-K412 VanDerWaalsContact O-N 3.15Å; K410-K412 PolarHBondContact O-N 3.2Å; K412-M416 WeakPolarHBondContact O-CG 3.2Å |
| 413 | V | 65.1 | Low | 67.5 | Low | 74 Ų | 74 | 109.3 Ų | 109.3 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.4 | -47.1 | 165.8 | 172.3 | 0 | 0 | 0 | 0 | 109.7 | L409 K410 R415 M416 E417 | L409-V413 WeakPolarHBondContact O-CG2 3.45Å; L409-V413 PolarHBondContact O-N 3.39Å; K410-V413 CarbonylContact O-C 3.4Å; K410-V413 PolarHBondContact O-N 2.73Å; K410-V413 VanDerWaalsContact O-N 3.12Å; V413-R415 VanDerWaalsContact C-N 3.32Å; V413-R415 PolarHBondContact O-N 2.78Å; V413-M416 CarbonylContact O-C 3.44Å; V413-M416 WeakPolarHBondContact O-CA 3.35Å; V413-M416 WeakPolarHBondContact O-CB 3.46Å; V413-M416 PolarHBondContact O-N 3.17Å; V413-E417 HydrophobicContact CG1-CG 3.83Å; V413-E417 WeakPolarHBondContact CG1-OE2 3.16Å; V413-E417 WeakPolarHBondContact O-CG 3.43Å; V413-E417 PolarHBondContact O-N 3.44Å |
| 414 | L | 69.4 | Low | 67.5 | Low | 77 Ų | 77 | 110.2 Ų | 110.2 | 40% | 0.403 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -51.8 | -42.4 | 179.5 | -86.2 | 167.1 | 0 | 0 | 0 | 113.1 | K410 E417 E418 | K410-L414 VanDerWaalsContact O-CB 3.26Å; K410-L414 WeakPolarHBondContact O-CB 3.47Å; K410-L414 WeakPolarHBondContact O-CG 3.39Å; K410-L414 PolarHBondContact O-N 3.32Å; L414-E417 CarbonylContact O-C 3.55Å; L414-E417 WeakPolarHBondContact O-CA 3.1Å; L414-E417 PolarHBondContact O-N 3.39Å; L414-E418 WeakPolarHBondContact O-CB 3.39Å; L414-E418 VanDerWaalsContact O-CG 3.23Å; L414-E418 WeakPolarHBondContact O-CG 3.28Å; L414-E418 PolarHBondContact O-N 3.33Å |
| 415 | R | 71.6 | Confident | 67.3 | Low | 153 Ų | 153 | 108.6 Ų | 108.6 | 58% | 0.577 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.7 | -33.4 | 176.7 | -83.8 | 173.7 | -72.6 | 169.3 | -6.8 | 113.9 | D411 V413 E417 E418 E419 | D411-R415 PolarHBondContact O-NE 2.86Å; D411-R415 VanDerWaalsContact O-NE 3.09Å; D411-R415 PolarHBondContact O-NH2 2.89Å; D411-R415 VanDerWaalsContact O-NH2 3.07Å; V413-R415 VanDerWaalsContact C-N 3.32Å; V413-R415 PolarHBondContact O-N 2.78Å; R415-E417 VanDerWaalsContact C-N 3.28Å; R415-E418 VanDerWaalsContact CG-OE2 3.24Å; R415-E418 WeakPolarHBondContact CG-OE2 3.06Å; R415-E418 PolarHBondContact O-N 2.84Å; R415-E419 PolarHBondContact O-N 3.46Å; R415-E419 VanDerWaalsContact O-N 3.08Å |
| 416 | M | 69 | Low | 67.4 | Low | 137 Ų | 137 | 109.3 Ų | 109.3 | 68% | 0.675 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.6 | -29.9 | 170.2 | -62.2 | -90.2 | -68.6 | 0 | 0 | 111 | K412 V413 R420 | K412-M416 WeakPolarHBondContact O-CG 3.2Å; V413-M416 CarbonylContact O-C 3.44Å; V413-M416 WeakPolarHBondContact O-CA 3.35Å; V413-M416 WeakPolarHBondContact O-CB 3.46Å; V413-M416 PolarHBondContact O-N 3.17Å; M416-R420 WeakPolarHBondContact O-CB 3.3Å; M416-R420 PolarHBondContact O-N 2.76Å |
| 417 | E | 64.8 | Low | 67.4 | Low | 73 Ų | 73 | 105 Ų | 105 | 34% | 0.341 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -78.2 | -31.1 | 173.3 | -68.4 | -164.6 | 124.8 | 0 | 0 | 112.2 | V413 L414 R415 R420 E421 | V413-E417 HydrophobicContact CG1-CG 3.83Å; V413-E417 WeakPolarHBondContact CG1-OE2 3.16Å; V413-E417 WeakPolarHBondContact O-CG 3.43Å; V413-E417 PolarHBondContact O-N 3.44Å; L414-E417 CarbonylContact O-C 3.55Å; L414-E417 WeakPolarHBondContact O-CA 3.1Å; L414-E417 PolarHBondContact O-N 3.39Å; R415-E417 VanDerWaalsContact C-N 3.28Å; E417-R420 CarbonylContact O-C 3.6Å; E417-R420 PolarHBondContact O-N 3.45Å; E417-R420 IonicContact OE1-NH1 3.29Å; E417-R420 PolarHBondContact OE1-NH1 2.71Å; E417-E421 WeakPolarHBondContact O-CA 3.34Å; E417-E421 WeakPolarHBondContact O-CB 3.49Å; E417-E421 WeakPolarHBondContact O-CG 3.29Å; E417-E421 PolarHBondContact O-N 2.85Å |
| 418 | E | 72.2 | Confident | 67.1 | Low | 114 Ų | 114 | 106.7 Ų | 106.7 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70 | -43.1 | 173.5 | -77.9 | 165.4 | 165.8 | 0 | 0 | 111 | L414 R415 E421 A422 | L414-E418 WeakPolarHBondContact O-CB 3.39Å; L414-E418 VanDerWaalsContact O-CG 3.23Å; L414-E418 WeakPolarHBondContact O-CG 3.28Å; L414-E418 PolarHBondContact O-N 3.33Å; R415-E418 VanDerWaalsContact CG-OE2 3.24Å; R415-E418 WeakPolarHBondContact CG-OE2 3.06Å; R415-E418 PolarHBondContact O-N 2.84Å; E418-E421 CarbonylContact O-C 3.58Å; E418-E421 PolarHBondContact O-N 2.8Å; E418-A422 WeakPolarHBondContact O-CB 3.4Å; E418-A422 PolarHBondContact O-N 3.39Å |
| 419 | E | 68.6 | Low | 67.1 | Low | 139 Ų | 139 | 100.5 Ų | 100.5 | 65% | 0.65 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.9 | -40.2 | 172.7 | -71.2 | -178.2 | 174.1 | 0 | 0 | 111.4 | R415 E421 A422 L423 | R415-E419 PolarHBondContact O-N 3.46Å; R415-E419 VanDerWaalsContact O-N 3.08Å; E419-E421 VanDerWaalsContact C-N 3.34Å; E419-A422 PolarHBondContact O-N 2.79Å; E419-L423 PolarHBondContact O-N 2.73Å; E419-L423 VanDerWaalsContact O-N 3.12Å |
| 420 | R | 69.4 | Low | 67.3 | Low | 128 Ų | 128 | 99.5 Ų | 99.5 | 48% | 0.483 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.2 | -34.9 | 171.6 | 179.5 | -177.5 | 134.5 | -127.3 | -14 | 111.8 | M416 E417 Q424 | M416-R420 WeakPolarHBondContact O-CB 3.3Å; M416-R420 PolarHBondContact O-N 2.76Å; E417-R420 CarbonylContact O-C 3.6Å; E417-R420 PolarHBondContact O-N 3.45Å; E417-R420 IonicContact OE1-NH1 3.29Å; E417-R420 PolarHBondContact OE1-NH1 2.71Å; R420-Q424 WeakPolarHBondContact O-CA 3.03Å; R420-Q424 WeakPolarHBondContact O-CB 3.19Å; R420-Q424 PolarHBondContact O-N 3.43Å |
| 421 | E | 62.3 | Low | 67.6 | Low | 107 Ų | 107 | 99.4 Ų | 99.4 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -81.4 | -22.6 | 177.4 | -79.4 | -164.5 | 150.6 | 0 | 0 | 112.1 | E417 E418 E419 S425 | E417-E421 WeakPolarHBondContact O-CA 3.34Å; E417-E421 WeakPolarHBondContact O-CB 3.49Å; E417-E421 WeakPolarHBondContact O-CG 3.29Å; E417-E421 PolarHBondContact O-N 2.85Å; E418-E421 CarbonylContact O-C 3.58Å; E418-E421 PolarHBondContact O-N 2.8Å; E419-E421 VanDerWaalsContact C-N 3.34Å; E421-S425 WeakPolarHBondContact O-CA 2.99Å; E421-S425 WeakPolarHBondContact O-CB 3.49Å; E421-S425 PolarHBondContact O-N 2.76Å; E421-S425 PolarHBondContact O-OG 2.77Å |
| 422 | A | 72.1 | Confident | 67.6 | Low | 58 Ų | 58 | 99.8 Ų | 99.8 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66 | -48.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | E418 E419 S425 Q426 | E418-A422 WeakPolarHBondContact O-CB 3.4Å; E418-A422 PolarHBondContact O-N 3.39Å; E419-A422 PolarHBondContact O-N 2.79Å; A422-S425 PolarHBondContact O-N 3.37Å; A422-S425 PolarHBondContact O-OG 3.35Å; A422-S425 VanDerWaalsContact O-OG 3.11Å; A422-Q426 WeakPolarHBondContact O-CB 3.45Å; A422-Q426 PolarHBondContact O-N 2.84Å |
| 423 | L | 67.4 | Low | 67.9 | Low | 122 Ų | 122 | 101.2 Ų | 101.2 | 64% | 0.639 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -70.1 | -39.3 | 176.3 | -68.5 | 170.5 | 0 | 0 | 0 | 112.4 | E419 Q426 S427 | E419-L423 PolarHBondContact O-N 2.73Å; E419-L423 VanDerWaalsContact O-N 3.12Å; L423-Q426 PolarHBondContact O-N 3.35Å; L423-S427 WeakPolarHBondContact O-CB 3.45Å; L423-S427 PolarHBondContact O-N 3.14Å |
| 424 | Q | 65.2 | Low | 67.8 | Low | 70 Ų | 70 | 103.1 Ų | 103.1 | 33% | 0.327 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -77.6 | -19.4 | 177.4 | -167.5 | 171.5 | 11.4 | 0 | 0 | 111.9 | R420 K428 | R420-Q424 WeakPolarHBondContact O-CA 3.03Å; R420-Q424 WeakPolarHBondContact O-CB 3.19Å; R420-Q424 PolarHBondContact O-N 3.43Å; Q424-K428 HydrophobicContact CG-CD 4.27Å; Q424-K428 HydrophobicContact CG-CG 4.36Å; Q424-K428 WeakPolarHBondContact O-CA 3.33Å; Q424-K428 WeakPolarHBondContact O-CB 3.44Å; Q424-K428 WeakPolarHBondContact O-CD 3.26Å; Q424-K428 WeakPolarHBondContact O-CG 3.21Å; Q424-K428 PolarHBondContact O-N 3.1Å |
| 425 | S | 65.4 | Low | 67.8 | Low | 67 Ų | 67 | 105.1 Ų | 105.1 | 47% | 0.469 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -83.9 | -29.8 | 167.2 | 63.9 | 0 | 0 | 0 | 0 | 112.2 | E421 A422 A429 | E421-S425 WeakPolarHBondContact O-CA 2.99Å; E421-S425 WeakPolarHBondContact O-CB 3.49Å; E421-S425 PolarHBondContact O-N 2.76Å; E421-S425 PolarHBondContact O-OG 2.77Å; A422-S425 PolarHBondContact O-N 3.37Å; A422-S425 PolarHBondContact O-OG 3.35Å; A422-S425 VanDerWaalsContact O-OG 3.11Å; S425-A429 WeakPolarHBondContact O-CA 3.19Å; S425-A429 WeakPolarHBondContact O-CB 3.43Å; S425-A429 PolarHBondContact O-N 2.78Å |
| 426 | Q | 68.3 | Low | 67.7 | Low | 129 Ų | 129 | 103.4 Ų | 103.4 | 60% | 0.603 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.1 | -42.6 | 167.4 | -166.1 | 173.3 | 31.7 | 0 | 0 | 111 | A422 L423 A429 L430 | A422-Q426 WeakPolarHBondContact O-CB 3.45Å; A422-Q426 PolarHBondContact O-N 2.84Å; L423-Q426 PolarHBondContact O-N 3.35Å; Q426-A429 PolarHBondContact O-N 3.29Å; Q426-L430 PolarHBondContact O-N 2.75Å |
| 427 | S | 66.3 | Low | 67.6 | Low | 54 Ų | 54 | 102.7 Ų | 102.7 | 38% | 0.378 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -52.3 | 170.3 | -161 | 0 | 0 | 0 | 0 | 110.9 | L423 A429 L430 E431 | L423-S427 WeakPolarHBondContact O-CB 3.45Å; L423-S427 PolarHBondContact O-N 3.14Å; S427-A429 VanDerWaalsContact C-N 3.27Å; S427-A429 PolarHBondContact O-N 3.4Å; S427-L430 PolarHBondContact O-N 2.67Å; S427-E431 WeakPolarHBondContact O-CB 3.44Å; S427-E431 WeakPolarHBondContact O-CG 3.21Å; S427-E431 PolarHBondContact O-N 3.5Å |
| 428 | K | 59.1 | Low | 67.9 | Low | 80 Ų | 80 | 103.5 Ų | 103.5 | 35% | 0.348 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -27.1 | 176.4 | -76.8 | 166.2 | -179.8 | 171.5 | 0 | 112.9 | Q424 E431 E432 | Q424-K428 HydrophobicContact CG-CD 4.27Å; Q424-K428 HydrophobicContact CG-CG 4.36Å; Q424-K428 WeakPolarHBondContact O-CA 3.33Å; Q424-K428 WeakPolarHBondContact O-CB 3.44Å; Q424-K428 WeakPolarHBondContact O-CD 3.26Å; Q424-K428 WeakPolarHBondContact O-CG 3.21Å; Q424-K428 PolarHBondContact O-N 3.1Å; K428-E431 CarbonylContact O-C 3.57Å; K428-E432 VanDerWaalsContact O-CA 3.31Å; K428-E432 WeakPolarHBondContact O-CA 3.14Å; K428-E432 WeakPolarHBondContact O-CB 3.2Å; K428-E432 WeakPolarHBondContact O-CG 3.29Å; K428-E432 PolarHBondContact O-N 2.68Å |
| 429 | A | 70.8 | Confident | 67.5 | Low | 51 Ų | 51 | 102.6 Ų | 102.6 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -78.7 | -30.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S425 Q426 S427 R433 | S425-A429 WeakPolarHBondContact O-CA 3.19Å; S425-A429 WeakPolarHBondContact O-CB 3.43Å; S425-A429 PolarHBondContact O-N 2.78Å; Q426-A429 PolarHBondContact O-N 3.29Å; S427-A429 VanDerWaalsContact C-N 3.27Å; S427-A429 PolarHBondContact O-N 3.4Å; A429-R433 WeakPolarHBondContact O-CB 3.17Å; A429-R433 PolarHBondContact O-N 3.28Å |
| 430 | L | 68.8 | Low | 67.8 | Low | 98 Ų | 98 | 98.9 Ų | 98.9 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -75.6 | -44.4 | 169.3 | -72.1 | 170.1 | 0 | 0 | 0 | 110.9 | Q426 S427 E432 R433 H434 | Q426-L430 PolarHBondContact O-N 2.75Å; S427-L430 PolarHBondContact O-N 2.67Å; L430-E432 VanDerWaalsContact C-N 3.32Å; L430-E432 PolarHBondContact O-N 2.74Å; L430-R433 PolarHBondContact O-N 2.84Å; L430-H434 WeakPolarHBondContact O-CB 3.21Å; L430-H434 VanDerWaalsContact O-CG 3.27Å; L430-H434 PolarHBondContact O-N 2.73Å |
| 431 | E | 68.7 | Low | 67.8 | Low | 112 Ų | 112 | 98 Ų | 98 | 52% | 0.523 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -35.2 | 170.8 | -71.4 | 175.3 | 163.7 | 0 | 0 | 111.6 | S427 K428 H434 K435 | S427-E431 WeakPolarHBondContact O-CB 3.44Å; S427-E431 WeakPolarHBondContact O-CG 3.21Å; S427-E431 PolarHBondContact O-N 3.5Å; K428-E431 CarbonylContact O-C 3.57Å; E431-H434 CarbonylContact O-C 3.59Å; E431-K435 VanDerWaalsContact O-CA 3.3Å; E431-K435 WeakPolarHBondContact O-CA 3.18Å; E431-K435 WeakPolarHBondContact O-CB 3.27Å; E431-K435 PolarHBondContact O-N 2.69Å |
| 432 | E | 68.8 | Low | 68.2 | Low | 102 Ų | 102 | 98.1 Ų | 98.1 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -77.9 | -28.5 | 175.8 | -80.3 | 171.8 | -166.8 | 0 | 0 | 111.6 | K428 L430 Q436 | K428-E432 VanDerWaalsContact O-CA 3.31Å; K428-E432 WeakPolarHBondContact O-CA 3.14Å; K428-E432 WeakPolarHBondContact O-CB 3.2Å; K428-E432 WeakPolarHBondContact O-CG 3.29Å; K428-E432 PolarHBondContact O-N 2.68Å; L430-E432 VanDerWaalsContact C-N 3.32Å; L430-E432 PolarHBondContact O-N 2.74Å; E432-Q436 WeakPolarHBondContact O-CA 3.48Å; E432-Q436 WeakPolarHBondContact O-CB 3.49Å; E432-Q436 WeakPolarHBondContact O-CG 3.49Å; E432-Q436 PolarHBondContact O-N 3.14Å |
| 433 | R | 72.1 | Confident | 68.2 | Low | 181 Ų | 181 | 100.9 Ų | 100.9 | 68% | 0.683 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.7 | -50.6 | 165.3 | -91.1 | -177 | 164.6 | 162.5 | -2.6 | 111 | A429 L430 K435 Q436 Q437 | A429-R433 WeakPolarHBondContact O-CB 3.17Å; A429-R433 PolarHBondContact O-N 3.28Å; L430-R433 PolarHBondContact O-N 2.84Å; R433-K435 VanDerWaalsContact C-N 3.26Å; R433-K435 PolarHBondContact O-N 3.12Å; R433-Q436 PolarHBondContact O-N 3.05Å; R433-Q437 WeakPolarHBondContact O-CB 3.16Å; R433-Q437 PolarHBondContact O-N 3.44Å |
| 434 | H | 63.8 | Low | 68.6 | Low | 113 Ų | 113 | 98.6 Ų | 98.6 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.9 | -32.6 | 177.3 | -66.1 | 172.2 | 0 | 0 | 0 | 111.8 | L430 E431 I438 | L430-H434 WeakPolarHBondContact O-CB 3.21Å; L430-H434 VanDerWaalsContact O-CG 3.27Å; L430-H434 PolarHBondContact O-N 2.73Å; E431-H434 CarbonylContact O-C 3.59Å; H434-I438 WeakPolarHBondContact O-CA 3.46Å; H434-I438 WeakPolarHBondContact O-CB 3.44Å; H434-I438 WeakPolarHBondContact O-CD1 3.43Å; H434-I438 WeakPolarHBondContact O-CG1 3.43Å; H434-I438 PolarHBondContact O-N 2.98Å |
| 435 | K | 68.9 | Low | 69 | Low | 120 Ų | 120 | 101 Ų | 101 | 52% | 0.522 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -86.3 | -22.4 | 177.7 | -174.7 | 179.3 | 178.7 | -176.9 | 0 | 112.8 | E431 R433 Q439 | E431-K435 VanDerWaalsContact O-CA 3.3Å; E431-K435 WeakPolarHBondContact O-CA 3.18Å; E431-K435 WeakPolarHBondContact O-CB 3.27Å; E431-K435 PolarHBondContact O-N 2.69Å; R433-K435 VanDerWaalsContact C-N 3.26Å; R433-K435 PolarHBondContact O-N 3.12Å; K435-Q439 HydrophobicContact CG-CG 4.05Å; K435-Q439 VanDerWaalsContact O-CA 3.31Å; K435-Q439 WeakPolarHBondContact O-CA 3.49Å; K435-Q439 WeakPolarHBondContact O-CB 3.45Å; K435-Q439 WeakPolarHBondContact O-CG 3.29Å; K435-Q439 PolarHBondContact O-N 2.98Å; K435-Q439 PolarHBondContact O-OE1 3.35Å |
| 436 | Q | 68.8 | Low | 69.2 | Low | 117 Ų | 117 | 103.5 Ų | 103.5 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -78.2 | -27.8 | 165.4 | -74.9 | 165.1 | 18 | 0 | 0 | 110.9 | E432 R433 S440 | E432-Q436 WeakPolarHBondContact O-CA 3.48Å; E432-Q436 WeakPolarHBondContact O-CB 3.49Å; E432-Q436 WeakPolarHBondContact O-CG 3.49Å; E432-Q436 PolarHBondContact O-N 3.14Å; R433-Q436 PolarHBondContact O-N 3.05Å; Q436-S440 WeakPolarHBondContact O-CB 3.23Å; Q436-S440 PolarHBondContact O-N 2.82Å; Q436-S440 PolarHBondContact O-OG 2.91Å; Q436-S440 VanDerWaalsContact O-OG 3.1Å |
| 437 | Q | 68.5 | Low | 69.5 | Low | 122 Ų | 122 | 101.9 Ų | 101.9 | 57% | 0.57 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -81.2 | -37.3 | 174.1 | -167.7 | 167.6 | 1.6 | 0 | 0 | 111.8 | R433 S440 L441 | R433-Q437 WeakPolarHBondContact O-CB 3.16Å; R433-Q437 PolarHBondContact O-N 3.44Å; Q437-S440 WeakPolarHBondContact CA-OG 3.02Å; Q437-S440 PolarHBondContact O-OG 2.91Å; Q437-S440 VanDerWaalsContact O-OG 3.07Å; Q437-L441 WeakPolarHBondContact O-CB 3.09Å; Q437-L441 WeakPolarHBondContact O-CD1 3.11Å; Q437-L441 VanDerWaalsContact O-CG 3.24Å; Q437-L441 WeakPolarHBondContact O-CG 3.43Å; Q437-L441 PolarHBondContact O-N 2.87Å |
| 438 | I | 70.9 | Confident | 69.8 | Low | 89 Ų | 89 | 104.7 Ų | 104.7 | 46% | 0.456 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.9 | -44.7 | 167.5 | -72.3 | 164.7 | 0 | 0 | 0 | 109.3 | H434 S440 L441 E442 | H434-I438 WeakPolarHBondContact O-CA 3.46Å; H434-I438 WeakPolarHBondContact O-CB 3.44Å; H434-I438 WeakPolarHBondContact O-CD1 3.43Å; H434-I438 WeakPolarHBondContact O-CG1 3.43Å; H434-I438 PolarHBondContact O-N 2.98Å; I438-S440 VanDerWaalsContact C-N 3.32Å; I438-S440 PolarHBondContact O-N 3.34Å; I438-L441 CarbonylContact O-C 3.49Å; I438-L441 PolarHBondContact O-N 2.92Å; I438-E442 VanDerWaalsContact CG2-CD 3.42Å; I438-E442 HydrophobicContact CG2-CG 3.84Å; I438-E442 WeakPolarHBondContact O-CA 3.18Å; I438-E442 WeakPolarHBondContact O-CB 3.48Å; I438-E442 VanDerWaalsContact O-CG 3.23Å; I438-E442 WeakPolarHBondContact O-CG 3.41Å; I438-E442 PolarHBondContact O-N 3.23Å |
| 439 | Q | 64.3 | Low | 70.4 | Confident | 95 Ų | 95 | 106.5 Ų | 106.5 | 44% | 0.444 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.2 | -24.3 | 174.9 | -73.4 | 173.2 | -28.3 | 0 | 0 | 113.1 | K435 K443 | K435-Q439 HydrophobicContact CG-CG 4.05Å; K435-Q439 VanDerWaalsContact O-CA 3.31Å; K435-Q439 WeakPolarHBondContact O-CA 3.49Å; K435-Q439 WeakPolarHBondContact O-CB 3.45Å; K435-Q439 WeakPolarHBondContact O-CG 3.29Å; K435-Q439 PolarHBondContact O-N 2.98Å; K435-Q439 PolarHBondContact O-OE1 3.35Å; Q439-K443 WeakPolarHBondContact O-CA 3.48Å; Q439-K443 WeakPolarHBondContact O-CB 3.49Å; Q439-K443 PolarHBondContact O-N 3.41Å |
| 440 | S | 74.3 | Confident | 70.2 | Confident | 61 Ų | 61 | 105.4 Ų | 105.4 | 43% | 0.427 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -74.8 | -40.2 | 170.8 | 67.3 | 0 | 0 | 0 | 0 | 111 | Q436 Q437 I438 K443 T444 | Q436-S440 WeakPolarHBondContact O-CB 3.23Å; Q436-S440 PolarHBondContact O-N 2.82Å; Q436-S440 PolarHBondContact O-OG 2.91Å; Q436-S440 VanDerWaalsContact O-OG 3.1Å; Q437-S440 WeakPolarHBondContact CA-OG 3.02Å; Q437-S440 PolarHBondContact O-OG 2.91Å; Q437-S440 VanDerWaalsContact O-OG 3.07Å; I438-S440 VanDerWaalsContact C-N 3.32Å; I438-S440 PolarHBondContact O-N 3.34Å; S440-K443 PolarHBondContact O-N 3.4Å; S440-T444 WeakPolarHBondContact O-CG2 3.31Å; S440-T444 PolarHBondContact O-N 2.79Å; S440-T444 PolarHBondContact O-OG1 3.14Å; S440-T444 VanDerWaalsContact O-OG1 3.12Å |
| 441 | L | 69.9 | Low | 70.4 | Confident | 110 Ų | 110 | 102.8 Ų | 102.8 | 58% | 0.576 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -70.3 | -37.3 | 173.8 | -71.2 | 170.3 | 0 | 0 | 0 | 113.2 | Q437 I438 T444 L445 | Q437-L441 WeakPolarHBondContact O-CB 3.09Å; Q437-L441 WeakPolarHBondContact O-CD1 3.11Å; Q437-L441 VanDerWaalsContact O-CG 3.24Å; Q437-L441 WeakPolarHBondContact O-CG 3.43Å; Q437-L441 PolarHBondContact O-N 2.87Å; I438-L441 CarbonylContact O-C 3.49Å; I438-L441 PolarHBondContact O-N 2.92Å; L441-T444 WeakPolarHBondContact CA-OG1 3.48Å; L441-T444 PolarHBondContact O-OG1 3.33Å; L441-T444 VanDerWaalsContact O-OG1 3.11Å; L441-L445 WeakPolarHBondContact O-CA 3.39Å; L441-L445 WeakPolarHBondContact O-CB 3.05Å; L441-L445 PolarHBondContact O-N 2.84Å |
| 442 | E | 69.8 | Low | 70.5 | Confident | 110 Ų | 110 | 102.6 Ų | 102.6 | 51% | 0.514 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.2 | -35.7 | 171.7 | -74.1 | 175.6 | 155.5 | 0 | 0 | 110.1 | I438 L445 H446 | I438-E442 VanDerWaalsContact CG2-CD 3.42Å; I438-E442 HydrophobicContact CG2-CG 3.84Å; I438-E442 WeakPolarHBondContact O-CA 3.18Å; I438-E442 WeakPolarHBondContact O-CB 3.48Å; I438-E442 VanDerWaalsContact O-CG 3.23Å; I438-E442 WeakPolarHBondContact O-CG 3.41Å; I438-E442 PolarHBondContact O-N 3.23Å; E442-L445 CarbonylContact O-C 3.5Å; E442-L445 PolarHBondContact O-N 3.38Å; E442-H446 WeakPolarHBondContact O-CA 3.27Å; E442-H446 WeakPolarHBondContact O-CB 3.34Å; E442-H446 PolarHBondContact O-N 3.38Å |
| 443 | K | 73.1 | Confident | 70.7 | Confident | 116 Ų | 116 | 100.6 Ų | 100.6 | 50% | 0.504 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.7 | -40 | 174.8 | -178.1 | 175 | 176.6 | -63.3 | 0 | 111 | Q439 S440 H446 E447 | Q439-K443 WeakPolarHBondContact O-CA 3.48Å; Q439-K443 WeakPolarHBondContact O-CB 3.49Å; Q439-K443 PolarHBondContact O-N 3.41Å; S440-K443 PolarHBondContact O-N 3.4Å; K443-H446 CarbonylContact O-C 3.46Å; K443-H446 PolarHBondContact O-N 2.72Å; K443-E447 WeakPolarHBondContact CE-OE1 3.04Å; K443-E447 HydrophobicContact CG-CG 4.32Å; K443-E447 IonicContact NZ-OE1 3.46Å; K443-E447 PolarHBondContact NZ-OE1 2.82Å; K443-E447 IonicContact NZ-OE2 2.78Å; K443-E447 PolarHBondContact NZ-OE2 2.82Å; K443-E447 WeakPolarHBondContact O-CA 3.09Å; K443-E447 WeakPolarHBondContact O-CB 3.26Å; K443-E447 WeakPolarHBondContact O-CG 3.47Å; K443-E447 PolarHBondContact O-N 3.36Å |
| 444 | T | 73.9 | Confident | 70.8 | Confident | 74 Ų | 74 | 98.3 Ų | 98.3 | 45% | 0.454 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.3 | -39.5 | 170.4 | 54.7 | 0 | 0 | 0 | 0 | 111.4 | S440 L441 H446 E447 E448 | S440-T444 WeakPolarHBondContact O-CG2 3.31Å; S440-T444 PolarHBondContact O-N 2.79Å; S440-T444 PolarHBondContact O-OG1 3.14Å; S440-T444 VanDerWaalsContact O-OG1 3.12Å; L441-T444 WeakPolarHBondContact CA-OG1 3.48Å; L441-T444 PolarHBondContact O-OG1 3.33Å; L441-T444 VanDerWaalsContact O-OG1 3.11Å; T444-H446 VanDerWaalsContact C-N 3.3Å; T444-H446 PolarHBondContact O-N 2.97Å; T444-E447 PolarHBondContact O-N 2.95Å; T444-E448 WeakPolarHBondContact O-CB 3.26Å; T444-E448 WeakPolarHBondContact O-CG 3.13Å; T444-E448 PolarHBondContact O-N 2.73Å |
| 445 | L | 74.1 | Confident | 71.4 | Confident | 121 Ų | 121 | 97.2 Ų | 97.2 | 63% | 0.634 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -68.7 | -26.7 | 175 | -176.3 | 64.3 | 0 | 0 | 0 | 112.6 | L441 E442 K449 | L441-L445 WeakPolarHBondContact O-CA 3.39Å; L441-L445 WeakPolarHBondContact O-CB 3.05Å; L441-L445 PolarHBondContact O-N 2.84Å; E442-L445 CarbonylContact O-C 3.5Å; E442-L445 PolarHBondContact O-N 3.38Å; L445-K449 WeakPolarHBondContact O-CA 3.15Å; L445-K449 WeakPolarHBondContact O-CB 3.26Å; L445-K449 PolarHBondContact O-N 3.11Å |
| 446 | H | 71.2 | Confident | 71.4 | Confident | 118 Ų | 118 | 96.8 Ų | 96.8 | 55% | 0.546 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -90.3 | -23.1 | 175.4 | -166.4 | 87.4 | 0 | 0 | 0 | 111.8 | E442 K443 T444 T450 | E442-H446 WeakPolarHBondContact O-CA 3.27Å; E442-H446 WeakPolarHBondContact O-CB 3.34Å; E442-H446 PolarHBondContact O-N 3.38Å; K443-H446 CarbonylContact O-C 3.46Å; K443-H446 PolarHBondContact O-N 2.72Å; T444-H446 VanDerWaalsContact C-N 3.3Å; T444-H446 PolarHBondContact O-N 2.97Å; H446-T450 WeakPolarHBondContact O-CA 3.4Å; H446-T450 WeakPolarHBondContact O-CB 3.41Å; H446-T450 WeakPolarHBondContact O-CG2 3.47Å; H446-T450 PolarHBondContact O-N 2.78Å; H446-T450 PolarHBondContact O-OG1 3.07Å |
| 447 | E | 74.6 | Confident | 71.7 | Confident | 96 Ų | 96 | 97.7 Ų | 97.7 | 45% | 0.449 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -75.7 | -40.9 | 167 | -76.2 | 170.6 | 157.2 | 0 | 0 | 110 | K443 T444 S451 | K443-E447 WeakPolarHBondContact CE-OE1 3.04Å; K443-E447 HydrophobicContact CG-CG 4.32Å; K443-E447 IonicContact NZ-OE1 3.46Å; K443-E447 PolarHBondContact NZ-OE1 2.82Å; K443-E447 IonicContact NZ-OE2 2.78Å; K443-E447 PolarHBondContact NZ-OE2 2.82Å; K443-E447 WeakPolarHBondContact O-CA 3.09Å; K443-E447 WeakPolarHBondContact O-CB 3.26Å; K443-E447 WeakPolarHBondContact O-CG 3.47Å; K443-E447 PolarHBondContact O-N 3.36Å; T444-E447 PolarHBondContact O-N 2.95Å; E447-S451 VanDerWaalsContact O-CB 3.27Å; E447-S451 WeakPolarHBondContact O-CB 3.11Å; E447-S451 PolarHBondContact O-N 2.85Å; E447-S451 PolarHBondContact O-OG 2.77Å |
| 448 | E | 71.9 | Confident | 72 | Confident | 113 Ų | 113 | 95.3 Ų | 95.3 | 53% | 0.528 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 167.3 | -74.3 | -94 | 143.2 | 0 | 0 | 111.4 | T444 S451 H452 | T444-E448 WeakPolarHBondContact O-CB 3.26Å; T444-E448 WeakPolarHBondContact O-CG 3.13Å; T444-E448 PolarHBondContact O-N 2.73Å; E448-S451 WeakPolarHBondContact CA-OG 3.27Å; E448-S451 PolarHBondContact O-N 3.25Å; E448-S451 PolarHBondContact O-OG 3.46Å; E448-H452 VanDerWaalsContact O-CB 3.32Å; E448-H452 WeakPolarHBondContact O-CB 3.09Å; E448-H452 PolarHBondContact O-N 2.79Å; E448-H452 PolarHBondContact O-ND1 2.71Å; E448-H452 IonicContact OE2-CE1 2.73Å |
| 449 | K | 71.7 | Confident | 72.2 | Confident | 117 Ų | 117 | 94.3 Ų | 94.3 | 51% | 0.509 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -71.2 | -33 | 177.6 | 178.6 | 172.9 | 169.6 | 174.5 | 0 | 111.6 | L445 E453 | L445-K449 WeakPolarHBondContact O-CA 3.15Å; L445-K449 WeakPolarHBondContact O-CB 3.26Å; L445-K449 PolarHBondContact O-N 3.11Å; K449-E453 WeakPolarHBondContact CE-OE1 3.19Å; K449-E453 HydrophobicContact CG-CG 4.24Å; K449-E453 IonicContact NZ-OE1 3.94Å; K449-E453 WeakPolarHBondContact O-CA 3.11Å; K449-E453 WeakPolarHBondContact O-CB 3.36Å; K449-E453 WeakPolarHBondContact O-CG 3.24Å; K449-E453 PolarHBondContact O-N 2.89Å |
| 450 | T | 66.9 | Low | 72.7 | Confident | 29 Ų | 29 | 94.8 Ų | 94.8 | 18% | 0.178 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -83.4 | -16.1 | 172.4 | 63 | 0 | 0 | 0 | 0 | 113.4 | H446 K454 | H446-T450 WeakPolarHBondContact O-CA 3.4Å; H446-T450 WeakPolarHBondContact O-CB 3.41Å; H446-T450 WeakPolarHBondContact O-CG2 3.47Å; H446-T450 PolarHBondContact O-N 2.78Å; H446-T450 PolarHBondContact O-OG1 3.07Å; T450-K454 WeakPolarHBondContact O-CB 3.47Å; T450-K454 WeakPolarHBondContact O-CD 3.2Å; T450-K454 WeakPolarHBondContact O-CG 3.43Å; T450-K454 PolarHBondContact O-N 2.67Å |
| 451 | S | 73 | Confident | 72.6 | Confident | 42 Ų | 42 | 94.1 Ų | 94.1 | 29% | 0.294 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -72.5 | -57.5 | 162.2 | 75.8 | 0 | 0 | 0 | 0 | 108.6 | E447 E448 E453 K454 D455 | E447-S451 VanDerWaalsContact O-CB 3.27Å; E447-S451 WeakPolarHBondContact O-CB 3.11Å; E447-S451 PolarHBondContact O-N 2.85Å; E447-S451 PolarHBondContact O-OG 2.77Å; E448-S451 WeakPolarHBondContact CA-OG 3.27Å; E448-S451 PolarHBondContact O-N 3.25Å; E448-S451 PolarHBondContact O-OG 3.46Å; S451-E453 VanDerWaalsContact C-N 3.28Å; S451-E453 PolarHBondContact O-N 2.79Å; S451-K454 CarbonylContact O-C 3.58Å; S451-K454 WeakPolarHBondContact O-CA 3.19Å; S451-K454 WeakPolarHBondContact O-CB 3.43Å; S451-K454 PolarHBondContact O-N 2.84Å; S451-D455 VanDerWaalsContact C-OD2 3.29Å; S451-D455 WeakPolarHBondContact O-CB 3.44Å; S451-D455 PolarHBondContact O-N 2.79Å; S451-D455 VanDerWaalsContact O-OD2 3.07Å |
| 452 | H | 70.8 | Confident | 72.9 | Confident | 108 Ų | 108 | 93.8 Ų | 93.8 | 50% | 0.5 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57.2 | -35.9 | 176.3 | -72.9 | 85.3 | 0 | 0 | 0 | 113 | E448 M456 | E448-H452 VanDerWaalsContact O-CB 3.32Å; E448-H452 WeakPolarHBondContact O-CB 3.09Å; E448-H452 PolarHBondContact O-N 2.79Å; E448-H452 PolarHBondContact O-ND1 2.71Å; E448-H452 IonicContact OE2-CE1 2.73Å; H452-M456 WeakPolarHBondContact O-CB 3.48Å; H452-M456 WeakPolarHBondContact O-CG 3.4Å; H452-M456 PolarHBondContact O-N 3.35Å |
| 453 | E | 71.8 | Confident | 73.2 | Confident | 61 Ų | 61 | 95.9 Ų | 95.9 | 29% | 0.285 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -74.4 | -29.1 | 171.3 | -76.7 | -178.3 | -162.8 | 0 | 0 | 112.9 | K449 S451 R457 | K449-E453 WeakPolarHBondContact CE-OE1 3.19Å; K449-E453 HydrophobicContact CG-CG 4.24Å; K449-E453 IonicContact NZ-OE1 3.94Å; K449-E453 WeakPolarHBondContact O-CA 3.11Å; K449-E453 WeakPolarHBondContact O-CB 3.36Å; K449-E453 WeakPolarHBondContact O-CG 3.24Å; K449-E453 PolarHBondContact O-N 2.89Å; S451-E453 VanDerWaalsContact C-N 3.28Å; S451-E453 PolarHBondContact O-N 2.79Å; E453-R457 WeakPolarHBondContact O-CB 3.11Å; E453-R457 WeakPolarHBondContact O-CD 3.4Å; E453-R457 WeakPolarHBondContact O-CG 3.45Å; E453-R457 PolarHBondContact O-N 3.08Å; E453-R457 IonicContact OE2-CZ 2.72Å; E453-R457 IonicContact OE2-NH1 3.01Å; E453-R457 PolarHBondContact OE2-NH1 3.22Å; E453-R457 IonicContact OE2-NH2 3.68Å; E453-R457 PolarHBondContact OE2-NH2 3.49Å |
| 454 | K | 75 | Confident | 73.4 | Confident | 132 Ų | 132 | 97.1 Ų | 97.1 | 57% | 0.574 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -74.3 | -34.4 | 170.6 | -79.8 | 165.6 | -166 | 158.3 | 0 | 111.6 | T450 S451 R457 S458 | T450-K454 WeakPolarHBondContact O-CB 3.47Å; T450-K454 WeakPolarHBondContact O-CD 3.2Å; T450-K454 WeakPolarHBondContact O-CG 3.43Å; T450-K454 PolarHBondContact O-N 2.67Å; S451-K454 CarbonylContact O-C 3.58Å; S451-K454 WeakPolarHBondContact O-CA 3.19Å; S451-K454 WeakPolarHBondContact O-CB 3.43Å; S451-K454 PolarHBondContact O-N 2.84Å; K454-R457 CarbonylContact O-C 3.57Å; K454-R457 PolarHBondContact O-N 2.73Å; K454-S458 WeakPolarHBondContact O-CA 3.29Å; K454-S458 WeakPolarHBondContact O-CB 3.23Å; K454-S458 PolarHBondContact O-N 2.74Å |
| 455 | D | 75.1 | Confident | 73.5 | Confident | 91 Ų | 91 | 99 Ų | 99 | 49% | 0.487 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -76.7 | -40.9 | 179.6 | -61.3 | -33.4 | 0 | 0 | 0 | 109.3 | S451 S458 V459 | S451-D455 VanDerWaalsContact C-OD2 3.29Å; S451-D455 WeakPolarHBondContact O-CB 3.44Å; S451-D455 PolarHBondContact O-N 2.79Å; S451-D455 VanDerWaalsContact O-OD2 3.07Å; D455-S458 PolarHBondContact O-N 3.18Å; D455-V459 VanDerWaalsContact O-CB 3.31Å; D455-V459 WeakPolarHBondContact O-CB 3.22Å; D455-V459 VanDerWaalsContact O-CG2 3.26Å; D455-V459 WeakPolarHBondContact O-CG2 3.41Å; D455-V459 PolarHBondContact O-N 2.66Å |
| 456 | M | 69.9 | Low | 73.5 | Confident | 111 Ų | 111 | 97.2 Ų | 97.2 | 55% | 0.547 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.8 | -38.8 | 168.1 | -71.6 | -64.1 | -62.8 | 0 | 0 | 112 | H452 S458 Q460 | H452-M456 WeakPolarHBondContact O-CB 3.48Å; H452-M456 WeakPolarHBondContact O-CG 3.4Å; H452-M456 PolarHBondContact O-N 3.35Å; M456-S458 VanDerWaalsContact C-N 3.32Å; M456-Q460 WeakPolarHBondContact O-CB 3.27Å; M456-Q460 WeakPolarHBondContact O-CG 3.23Å; M456-Q460 PolarHBondContact O-N 2.99Å |
| 457 | R | 75.1 | Confident | 73.5 | Confident | 136 Ų | 136 | 93.6 Ų | 93.6 | 51% | 0.513 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.7 | -27.6 | 171 | -75.5 | 169.5 | -170.3 | 122.6 | 10.6 | 112.7 | E453 K454 A461 | E453-R457 WeakPolarHBondContact O-CB 3.11Å; E453-R457 WeakPolarHBondContact O-CD 3.4Å; E453-R457 WeakPolarHBondContact O-CG 3.45Å; E453-R457 PolarHBondContact O-N 3.08Å; E453-R457 IonicContact OE2-CZ 2.72Å; E453-R457 IonicContact OE2-NH1 3.01Å; E453-R457 PolarHBondContact OE2-NH1 3.22Å; E453-R457 IonicContact OE2-NH2 3.68Å; E453-R457 PolarHBondContact OE2-NH2 3.49Å; K454-R457 CarbonylContact O-C 3.57Å; K454-R457 PolarHBondContact O-N 2.73Å; R457-A461 WeakPolarHBondContact O-CA 3.23Å; R457-A461 WeakPolarHBondContact O-CB 3.44Å; R457-A461 PolarHBondContact O-N 3.06Å |
| 458 | S | 75.7 | Confident | 73.6 | Confident | 72 Ų | 72 | 91.7 Ų | 91.7 | 50% | 0.503 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -76.1 | -41.5 | 176.7 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | K454 D455 M456 A461 H462 | K454-S458 WeakPolarHBondContact O-CA 3.29Å; K454-S458 WeakPolarHBondContact O-CB 3.23Å; K454-S458 PolarHBondContact O-N 2.74Å; D455-S458 PolarHBondContact O-N 3.18Å; M456-S458 VanDerWaalsContact C-N 3.32Å; S458-A461 PolarHBondContact O-N 2.79Å; S458-H462 WeakPolarHBondContact O-CB 3.38Å; S458-H462 PolarHBondContact O-N 3.39Å |
| 459 | V | 75 | Confident | 73.8 | Confident | 67 Ų | 67 | 91.7 Ų | 91.7 | 41% | 0.406 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -70.1 | -38.3 | 172.4 | 169.2 | 0 | 0 | 0 | 0 | 111 | D455 H462 Y463 | D455-V459 VanDerWaalsContact O-CB 3.31Å; D455-V459 WeakPolarHBondContact O-CB 3.22Å; D455-V459 VanDerWaalsContact O-CG2 3.26Å; D455-V459 WeakPolarHBondContact O-CG2 3.41Å; D455-V459 PolarHBondContact O-N 2.66Å; V459-H462 PolarHBondContact O-N 2.9Å; V459-Y463 HydrophobicContact CG1-CD2 3.65Å; V459-Y463 HydrophobicContact CG1-CE2 3.39Å; V459-Y463 WeakPolarHBondContact O-CB 3.44Å; V459-Y463 WeakPolarHBondContact O-CD2 3.41Å; V459-Y463 PolarHBondContact O-N 3.45Å |
| 460 | Q | 73.6 | Confident | 73.8 | Confident | 105 Ų | 105 | 91.4 Ų | 91.4 | 49% | 0.491 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65 | -46.2 | 170.3 | -77.1 | 170.6 | -25.3 | 0 | 0 | 111.1 | M456 H462 Y463 E464 | M456-Q460 WeakPolarHBondContact O-CB 3.27Å; M456-Q460 WeakPolarHBondContact O-CG 3.23Å; M456-Q460 PolarHBondContact O-N 2.99Å; Q460-H462 VanDerWaalsContact C-N 3.33Å; Q460-H462 PolarHBondContact O-N 3.46Å; Q460-Y463 CarbonylContact O-C 3.56Å; Q460-Y463 PolarHBondContact O-N 2.97Å; Q460-E464 WeakPolarHBondContact O-CB 3.23Å; Q460-E464 VanDerWaalsContact O-CG 3.31Å; Q460-E464 WeakPolarHBondContact O-CG 3.24Å; Q460-E464 PolarHBondContact O-N 3.48Å |
| 461 | A | 73.4 | Confident | 74.2 | Confident | 47 Ų | 47 | 96.7 Ų | 96.7 | 39% | 0.388 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63 | -38.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | R457 S458 E464 E465 | R457-A461 WeakPolarHBondContact O-CA 3.23Å; R457-A461 WeakPolarHBondContact O-CB 3.44Å; R457-A461 PolarHBondContact O-N 3.06Å; S458-A461 PolarHBondContact O-N 2.79Å; A461-E464 CarbonylContact O-C 3.47Å; A461-E464 PolarHBondContact O-N 3.43Å; A461-E465 WeakPolarHBondContact O-CA 3.31Å; A461-E465 WeakPolarHBondContact O-CB 3.48Å; A461-E465 PolarHBondContact O-N 3.15Å |
| 462 | H | 75.6 | Confident | 74.4 | Confident | 104 Ų | 104 | 98.2 Ų | 98.2 | 48% | 0.481 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 174.7 | -167 | -75 | 0 | 0 | 0 | 111 | S458 V459 Q460 E465 E466 | S458-H462 WeakPolarHBondContact O-CB 3.38Å; S458-H462 PolarHBondContact O-N 3.39Å; V459-H462 PolarHBondContact O-N 2.9Å; Q460-H462 VanDerWaalsContact C-N 3.33Å; Q460-H462 PolarHBondContact O-N 3.46Å; H462-E465 PolarHBondContact O-N 3.08Å; H462-E466 IonicContact CE1-OE1 2.68Å; H462-E466 PolarHBondContact CE1-OE1 3.24Å; H462-E466 IonicContact CE1-OE2 2.6Å; H462-E466 PolarHBondContact CE1-OE2 2.83Å; H462-E466 IonicContact ND1-OE1 3.61Å; H462-E466 IonicContact ND1-OE2 2.7Å; H462-E466 PolarHBondContact ND1-OE2 3.5Å; H462-E466 VanDerWaalsContact O-CB 3.24Å; H462-E466 WeakPolarHBondContact O-CB 3.27Å; H462-E466 VanDerWaalsContact O-CG 3.28Å; H462-E466 WeakPolarHBondContact O-CG 3.14Å; H462-E466 PolarHBondContact O-N 3.35Å |
| 463 | Y | 75.1 | Confident | 74.6 | Confident | 153 Ų | 153 | 95.8 Ų | 95.8 | 60% | 0.6 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -72.4 | -28.8 | 173.7 | -73.1 | -44.1 | 0 | 0 | 0 | 113.3 | V459 Q460 E466 A467 | V459-Y463 HydrophobicContact CG1-CD2 3.65Å; V459-Y463 HydrophobicContact CG1-CE2 3.39Å; V459-Y463 WeakPolarHBondContact O-CB 3.44Å; V459-Y463 WeakPolarHBondContact O-CD2 3.41Å; V459-Y463 PolarHBondContact O-N 3.45Å; Q460-Y463 CarbonylContact O-C 3.56Å; Q460-Y463 PolarHBondContact O-N 2.97Å; Y463-E466 WeakPolarHBondContact CD1-OE2 3.33Å; Y463-A467 WeakPolarHBondContact O-CA 3.43Å; Y463-A467 WeakPolarHBondContact O-CB 3.41Å; Y463-A467 PolarHBondContact O-N 2.89Å |
| 464 | E | 77.3 | Confident | 74.7 | Confident | 142 Ų | 142 | 98.1 Ų | 98.1 | 66% | 0.664 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -76.3 | -31.5 | 171.9 | -75.2 | 178 | 174.3 | 0 | 0 | 111.6 | Q460 A461 S468 | Q460-E464 WeakPolarHBondContact O-CB 3.23Å; Q460-E464 VanDerWaalsContact O-CG 3.31Å; Q460-E464 WeakPolarHBondContact O-CG 3.24Å; Q460-E464 PolarHBondContact O-N 3.48Å; A461-E464 CarbonylContact O-C 3.47Å; A461-E464 PolarHBondContact O-N 3.43Å; E464-S468 WeakPolarHBondContact O-CB 3.35Å; E464-S468 PolarHBondContact O-N 3.36Å; E464-S468 PolarHBondContact O-OG 2.79Å |
| 465 | E | 76.9 | Confident | 74.8 | Confident | 115 Ų | 115 | 94.3 Ų | 94.3 | 54% | 0.537 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -77.9 | -39.6 | 175.4 | -172 | 161.7 | -142.7 | 0 | 0 | 110.8 | A461 H462 S468 Q469 | A461-E465 WeakPolarHBondContact O-CA 3.31Å; A461-E465 WeakPolarHBondContact O-CB 3.48Å; A461-E465 PolarHBondContact O-N 3.15Å; H462-E465 PolarHBondContact O-N 3.08Å; E465-S468 VanDerWaalsContact CA-OG 3.3Å; E465-S468 WeakPolarHBondContact CA-OG 3.17Å; E465-S468 PolarHBondContact O-OG 2.78Å; E465-Q469 WeakPolarHBondContact O-CB 3.49Å; E465-Q469 WeakPolarHBondContact O-CG 3.47Å; E465-Q469 PolarHBondContact O-N 3.2Å |
| 466 | E | 73.8 | Confident | 75.2 | Confident | 83 Ų | 83 | 97.1 Ų | 97.1 | 39% | 0.388 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.9 | -43.8 | 167.2 | -75.8 | 178 | 125.8 | 0 | 0 | 111.3 | H462 Y463 S468 Q469 M470 | H462-E466 IonicContact CE1-OE1 2.68Å; H462-E466 PolarHBondContact CE1-OE1 3.24Å; H462-E466 IonicContact CE1-OE2 2.6Å; H462-E466 PolarHBondContact CE1-OE2 2.83Å; H462-E466 IonicContact ND1-OE1 3.61Å; H462-E466 IonicContact ND1-OE2 2.7Å; H462-E466 PolarHBondContact ND1-OE2 3.5Å; H462-E466 VanDerWaalsContact O-CB 3.24Å; H462-E466 WeakPolarHBondContact O-CB 3.27Å; H462-E466 VanDerWaalsContact O-CG 3.28Å; H462-E466 WeakPolarHBondContact O-CG 3.14Å; H462-E466 PolarHBondContact O-N 3.35Å; Y463-E466 WeakPolarHBondContact CD1-OE2 3.33Å; E466-S468 VanDerWaalsContact C-N 3.33Å; E466-S468 PolarHBondContact O-N 3.47Å; E466-Q469 PolarHBondContact O-N 3.32Å; E466-M470 VanDerWaalsContact O-CB 3.26Å; E466-M470 WeakPolarHBondContact O-CB 3.15Å; E466-M470 WeakPolarHBondContact O-CG 3.19Å; E466-M470 PolarHBondContact O-N 2.83Å |
| 467 | A | 72.4 | Confident | 75.6 | Confident | 42 Ų | 42 | 94.3 Ų | 94.3 | 35% | 0.347 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.8 | -31.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y463 K471 | Y463-A467 WeakPolarHBondContact O-CA 3.43Å; Y463-A467 WeakPolarHBondContact O-CB 3.41Å; Y463-A467 PolarHBondContact O-N 2.89Å; A467-K471 WeakPolarHBondContact O-CB 3.29Å; A467-K471 WeakPolarHBondContact O-CD 3.23Å; A467-K471 WeakPolarHBondContact O-CG 3.04Å; A467-K471 PolarHBondContact O-N 3.12Å |
| 468 | S | 76.6 | Confident | 75.6 | Confident | 55 Ų | 55 | 93.8 Ų | 93.8 | 39% | 0.385 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -76.4 | -39.2 | 171.4 | 56.1 | 0 | 0 | 0 | 0 | 111.6 | E464 E465 E466 M470 K471 D472 | E464-S468 WeakPolarHBondContact O-CB 3.35Å; E464-S468 PolarHBondContact O-N 3.36Å; E464-S468 PolarHBondContact O-OG 2.79Å; E465-S468 VanDerWaalsContact CA-OG 3.3Å; E465-S468 WeakPolarHBondContact CA-OG 3.17Å; E465-S468 PolarHBondContact O-OG 2.78Å; E466-S468 VanDerWaalsContact C-N 3.33Å; E466-S468 PolarHBondContact O-N 3.47Å; S468-M470 VanDerWaalsContact C-N 3.31Å; S468-M470 PolarHBondContact O-N 2.89Å; S468-K471 CarbonylContact O-C 3.46Å; S468-K471 PolarHBondContact O-N 2.84Å; S468-D472 VanDerWaalsContact O-CB 3.22Å; S468-D472 WeakPolarHBondContact O-CB 3.17Å; S468-D472 PolarHBondContact O-N 3.3Å |
| 469 | Q | 74.3 | Confident | 75.9 | Confident | 114 Ų | 114 | 95.2 Ų | 95.2 | 53% | 0.533 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.6 | -34.4 | 170.4 | -75.5 | 176.2 | 39.5 | 0 | 0 | 112.7 | E465 E466 S473 | E465-Q469 WeakPolarHBondContact O-CB 3.49Å; E465-Q469 WeakPolarHBondContact O-CG 3.47Å; E465-Q469 PolarHBondContact O-N 3.2Å; E466-Q469 PolarHBondContact O-N 3.32Å; Q469-S473 WeakPolarHBondContact O-CB 3.31Å; Q469-S473 PolarHBondContact O-N 3.17Å; Q469-S473 PolarHBondContact O-OG 3.37Å |
| 470 | M | 72.8 | Confident | 76.2 | Confident | 111 Ų | 111 | 97 Ų | 97 | 55% | 0.547 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.2 | -41 | 172.8 | -74.4 | -63.4 | -69.1 | 0 | 0 | 111.7 | E466 S468 D472 S473 Q474 | E466-M470 VanDerWaalsContact O-CB 3.26Å; E466-M470 WeakPolarHBondContact O-CB 3.15Å; E466-M470 WeakPolarHBondContact O-CG 3.19Å; E466-M470 PolarHBondContact O-N 2.83Å; S468-M470 VanDerWaalsContact C-N 3.31Å; S468-M470 PolarHBondContact O-N 2.89Å; M470-D472 VanDerWaalsContact C-N 3.34Å; M470-S473 WeakPolarHBondContact CA-OG 3.5Å; M470-S473 PolarHBondContact O-OG 2.74Å; M470-Q474 VanDerWaalsContact O-CB 3.27Å; M470-Q474 WeakPolarHBondContact O-CB 3.12Å; M470-Q474 WeakPolarHBondContact O-CG 3.1Å; M470-Q474 PolarHBondContact O-N 3.47Å |
| 471 | K | 75.1 | Confident | 76.4 | Confident | 140 Ų | 140 | 96.3 Ų | 96.3 | 61% | 0.609 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.3 | -38.3 | 170.7 | -76 | 165.4 | -175.7 | 171.5 | 0 | 111.9 | A467 S468 A475 | A467-K471 WeakPolarHBondContact O-CB 3.29Å; A467-K471 WeakPolarHBondContact O-CD 3.23Å; A467-K471 WeakPolarHBondContact O-CG 3.04Å; A467-K471 PolarHBondContact O-N 3.12Å; S468-K471 CarbonylContact O-C 3.46Å; S468-K471 PolarHBondContact O-N 2.84Å; K471-A475 WeakPolarHBondContact O-CB 3.17Å; K471-A475 PolarHBondContact O-N 2.86Å |
| 472 | D | 77.4 | Confident | 76.4 | Confident | 73 Ų | 73 | 96.8 Ų | 96.8 | 39% | 0.39 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.5 | -42.3 | 178.7 | -104.4 | 42.2 | 0 | 0 | 0 | 111.5 | S468 M470 A475 R476 | S468-D472 VanDerWaalsContact O-CB 3.22Å; S468-D472 WeakPolarHBondContact O-CB 3.17Å; S468-D472 PolarHBondContact O-N 3.3Å; M470-D472 VanDerWaalsContact C-N 3.34Å; D472-A475 PolarHBondContact O-N 2.84Å; D472-R476 VanDerWaalsContact O-CB 3.24Å; D472-R476 WeakPolarHBondContact O-CB 3.05Å; D472-R476 WeakPolarHBondContact O-CD 3.22Å; D472-R476 WeakPolarHBondContact O-CG 3.44Å; D472-R476 PolarHBondContact O-N 2.79Å; D472-R476 IonicContact OD2-CZ 2.79Å; D472-R476 IonicContact OD2-NE 3.49Å; D472-R476 IonicContact OD2-NH2 3.21Å; D472-R476 PolarHBondContact OD2-NH2 3.21Å |
| 473 | S | 75.8 | Confident | 76.7 | Confident | 58 Ų | 58 | 96.3 Ų | 96.3 | 41% | 0.406 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.7 | -36.2 | 175.1 | 52.9 | 0 | 0 | 0 | 0 | 111.6 | Q469 M470 A477 | Q469-S473 WeakPolarHBondContact O-CB 3.31Å; Q469-S473 PolarHBondContact O-N 3.17Å; Q469-S473 PolarHBondContact O-OG 3.37Å; M470-S473 WeakPolarHBondContact CA-OG 3.5Å; M470-S473 PolarHBondContact O-OG 2.74Å; S473-A477 WeakPolarHBondContact O-CB 3.13Å; S473-A477 PolarHBondContact O-N 3.02Å |
| 474 | Q | 72.6 | Confident | 76.9 | Confident | 110 Ų | 110 | 94.7 Ų | 94.7 | 51% | 0.514 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65 | -42.9 | 169 | -72.6 | 170.5 | 9.2 | 0 | 0 | 112.1 | M470 A477 L478 | M470-Q474 VanDerWaalsContact O-CB 3.27Å; M470-Q474 WeakPolarHBondContact O-CB 3.12Å; M470-Q474 WeakPolarHBondContact O-CG 3.1Å; M470-Q474 PolarHBondContact O-N 3.47Å; Q474-A477 PolarHBondContact O-N 2.84Å; Q474-L478 WeakPolarHBondContact O-CB 3.4Å; Q474-L478 VanDerWaalsContact O-CG 3.29Å; Q474-L478 WeakPolarHBondContact O-CG 3.29Å; Q474-L478 PolarHBondContact O-N 2.78Å |
| 475 | A | 77.7 | Confident | 76.8 | Confident | 51 Ų | 51 | 93.6 Ų | 93.6 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K471 D472 L478 E479 | K471-A475 WeakPolarHBondContact O-CB 3.17Å; K471-A475 PolarHBondContact O-N 2.86Å; D472-A475 PolarHBondContact O-N 2.84Å; A475-L478 PolarHBondContact O-N 2.78Å; A475-E479 VanDerWaalsContact O-CB 3.25Å; A475-E479 WeakPolarHBondContact O-CB 3.36Å; A475-E479 PolarHBondContact O-N 2.84Å |
| 476 | R | 82.7 | Confident | 77 | Confident | 150 Ų | 150 | 95 Ų | 95 | 57% | 0.566 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.2 | -36.3 | 173.6 | -69.2 | 165.9 | -153.2 | -173.7 | 7.7 | 111.7 | D472 E479 E480 | D472-R476 VanDerWaalsContact O-CB 3.24Å; D472-R476 WeakPolarHBondContact O-CB 3.05Å; D472-R476 WeakPolarHBondContact O-CD 3.22Å; D472-R476 WeakPolarHBondContact O-CG 3.44Å; D472-R476 PolarHBondContact O-N 2.79Å; D472-R476 IonicContact OD2-CZ 2.79Å; D472-R476 IonicContact OD2-NE 3.49Å; D472-R476 IonicContact OD2-NH2 3.21Å; D472-R476 PolarHBondContact OD2-NH2 3.21Å; R476-E479 PolarHBondContact O-N 3.23Å; R476-E480 VanDerWaalsContact O-CB 3.31Å; R476-E480 WeakPolarHBondContact O-CB 3.35Å; R476-E480 PolarHBondContact O-N 2.66Å |
| 477 | A | 78.2 | Confident | 77.7 | Confident | 52 Ų | 52 | 94.1 Ų | 94.1 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S473 Q474 E480 V481 | S473-A477 WeakPolarHBondContact O-CB 3.13Å; S473-A477 PolarHBondContact O-N 3.02Å; Q474-A477 PolarHBondContact O-N 2.84Å; A477-E480 PolarHBondContact O-N 2.79Å; A477-V481 WeakPolarHBondContact O-CB 3.42Å; A477-V481 VanDerWaalsContact O-CG2 3.31Å; A477-V481 WeakPolarHBondContact O-CG2 3.05Å; A477-V481 PolarHBondContact O-N 3.35Å |
| 478 | L | 75.8 | Confident | 78.1 | Confident | 126 Ų | 126 | 95.8 Ų | 95.8 | 66% | 0.66 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.1 | -39.2 | 172.7 | -73 | 169.3 | 0 | 0 | 0 | 111.7 | Q474 A475 V481 A482 | Q474-L478 WeakPolarHBondContact O-CB 3.4Å; Q474-L478 VanDerWaalsContact O-CG 3.29Å; Q474-L478 WeakPolarHBondContact O-CG 3.29Å; Q474-L478 PolarHBondContact O-N 2.78Å; A475-L478 PolarHBondContact O-N 2.78Å; L478-V481 PolarHBondContact O-N 2.82Å; L478-A482 VanDerWaalsContact O-CB 3.26Å; L478-A482 WeakPolarHBondContact O-CB 3.28Å; L478-A482 PolarHBondContact O-N 3.39Å |
| 479 | E | 81.1 | Confident | 78.1 | Confident | 101 Ų | 101 | 97.1 Ų | 97.1 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.2 | -35.6 | 176.2 | -158.6 | -154 | 175.5 | 0 | 0 | 111.2 | A475 R476 A482 K483 | A475-E479 VanDerWaalsContact O-CB 3.25Å; A475-E479 WeakPolarHBondContact O-CB 3.36Å; A475-E479 PolarHBondContact O-N 2.84Å; R476-E479 PolarHBondContact O-N 3.23Å; E479-A482 PolarHBondContact O-N 2.7Å; E479-K483 VanDerWaalsContact CD-CE 3.44Å; E479-K483 HydrophobicContact CG-CD 4.33Å; E479-K483 WeakPolarHBondContact O-CB 3.34Å; E479-K483 WeakPolarHBondContact O-CD 3.47Å; E479-K483 WeakPolarHBondContact O-CG 3.23Å; E479-K483 PolarHBondContact O-N 2.66Å; E479-K483 WeakPolarHBondContact OE1-CE 3.34Å; E479-K483 IonicContact OE1-NZ 2.71Å; E479-K483 PolarHBondContact OE1-NZ 3.45Å; E479-K483 IonicContact OE2-NZ 3.88Å; E479-K483 PolarHBondContact OE2-NZ 2.81Å |
| 480 | E | 81.6 | Confident | 78.5 | Confident | 104 Ų | 104 | 95.6 Ų | 95.6 | 49% | 0.486 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 170 | -91.9 | -162.8 | -146.9 | 0 | 0 | 111.9 | R476 A477 K483 K484 | R476-E480 VanDerWaalsContact O-CB 3.31Å; R476-E480 WeakPolarHBondContact O-CB 3.35Å; R476-E480 PolarHBondContact O-N 2.66Å; A477-E480 PolarHBondContact O-N 2.79Å; E480-K483 PolarHBondContact O-N 2.82Å; E480-K484 VanDerWaalsContact O-CB 3.31Å; E480-K484 WeakPolarHBondContact O-CB 3.34Å; E480-K484 VanDerWaalsContact O-CD 3.31Å; E480-K484 WeakPolarHBondContact O-CD 3.4Å; E480-K484 WeakPolarHBondContact O-CG 3.46Å; E480-K484 PolarHBondContact O-N 3.25Å; E480-K484 WeakPolarHBondContact OE2-CE 3.42Å; E480-K484 IonicContact OE2-NZ 3.58Å; E480-K484 PolarHBondContact OE2-NZ 2.72Å |
| 481 | V | 78.1 | Confident | 78.9 | Confident | 92 Ų | 92 | 94.6 Ų | 94.6 | 56% | 0.558 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.2 | -40.4 | 174.9 | 168.7 | 0 | 0 | 0 | 0 | 110.4 | A477 L478 K484 H485 | A477-V481 WeakPolarHBondContact O-CB 3.42Å; A477-V481 VanDerWaalsContact O-CG2 3.31Å; A477-V481 WeakPolarHBondContact O-CG2 3.05Å; A477-V481 PolarHBondContact O-N 3.35Å; L478-V481 PolarHBondContact O-N 2.82Å; V481-K484 PolarHBondContact O-N 2.66Å; V481-H485 VanDerWaalsContact O-CB 3.29Å; V481-H485 WeakPolarHBondContact O-CB 3.44Å; V481-H485 PolarHBondContact O-N 2.7Å |
| 482 | A | 73.8 | Confident | 79.2 | Confident | 56 Ų | 56 | 91.9 Ų | 91.9 | 46% | 0.463 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L478 E479 H485 R486 | L478-A482 VanDerWaalsContact O-CB 3.26Å; L478-A482 WeakPolarHBondContact O-CB 3.28Å; L478-A482 PolarHBondContact O-N 3.39Å; E479-A482 PolarHBondContact O-N 2.7Å; A482-H485 PolarHBondContact O-N 2.78Å; A482-R486 VanDerWaalsContact O-CB 3.27Å; A482-R486 WeakPolarHBondContact O-CB 3.41Å; A482-R486 PolarHBondContact O-N 3.38Å |
| 483 | K | 81.1 | Confident | 79.3 | Confident | 94 Ų | 94 | 93.4 Ų | 93.4 | 41% | 0.409 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 172.7 | -78.6 | 163.7 | 178 | 163.1 | 0 | 111.2 | E479 E480 R486 V487 | E479-K483 VanDerWaalsContact CD-CE 3.44Å; E479-K483 HydrophobicContact CG-CD 4.33Å; E479-K483 WeakPolarHBondContact O-CB 3.34Å; E479-K483 WeakPolarHBondContact O-CD 3.47Å; E479-K483 WeakPolarHBondContact O-CG 3.23Å; E479-K483 PolarHBondContact O-N 2.66Å; E479-K483 WeakPolarHBondContact OE1-CE 3.34Å; E479-K483 IonicContact OE1-NZ 2.71Å; E479-K483 PolarHBondContact OE1-NZ 3.45Å; E479-K483 IonicContact OE2-NZ 3.88Å; E479-K483 PolarHBondContact OE2-NZ 2.81Å; E480-K483 PolarHBondContact O-N 2.82Å; K483-R486 PolarHBondContact O-N 2.9Å; K483-V487 WeakPolarHBondContact O-CB 3.43Å; K483-V487 VanDerWaalsContact O-CG2 3.27Å; K483-V487 WeakPolarHBondContact O-CG2 3.24Å; K483-V487 PolarHBondContact O-N 2.96Å |
| 484 | K | 80.6 | Confident | 79.7 | Confident | 119 Ų | 119 | 93.1 Ų | 93.1 | 52% | 0.517 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 174.2 | -72.7 | 159.5 | -165.9 | 164.1 | 0 | 110.7 | E480 V481 V487 T488 | E480-K484 VanDerWaalsContact O-CB 3.31Å; E480-K484 WeakPolarHBondContact O-CB 3.34Å; E480-K484 VanDerWaalsContact O-CD 3.31Å; E480-K484 WeakPolarHBondContact O-CD 3.4Å; E480-K484 WeakPolarHBondContact O-CG 3.46Å; E480-K484 PolarHBondContact O-N 3.25Å; E480-K484 WeakPolarHBondContact OE2-CE 3.42Å; E480-K484 IonicContact OE2-NZ 3.58Å; E480-K484 PolarHBondContact OE2-NZ 2.72Å; V481-K484 PolarHBondContact O-N 2.66Å; K484-V487 PolarHBondContact O-N 3.15Å; K484-T488 WeakPolarHBondContact O-CG2 3.36Å; K484-T488 PolarHBondContact O-N 3.39Å; K484-T488 PolarHBondContact O-OG1 2.84Å |
| 485 | H | 74.9 | Confident | 80.2 | Confident | 119 Ų | 119 | 91.2 Ų | 91.2 | 55% | 0.551 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.7 | -45.6 | 176.6 | -174.2 | 52.8 | 0 | 0 | 0 | 111.9 | V481 A482 V487 T488 L489 | V481-H485 VanDerWaalsContact O-CB 3.29Å; V481-H485 WeakPolarHBondContact O-CB 3.44Å; V481-H485 PolarHBondContact O-N 2.7Å; A482-H485 PolarHBondContact O-N 2.78Å; H485-V487 PolarHBondContact O-N 3.41Å; H485-T488 VanDerWaalsContact CA-OG1 3.31Å; H485-T488 WeakPolarHBondContact CA-OG1 3.48Å; H485-T488 CarbonylContact O-C 3.58Å; H485-T488 PolarHBondContact O-N 2.92Å; H485-T488 VanDerWaalsContact O-N 3.16Å; H485-T488 PolarHBondContact O-OG1 3.16Å; H485-L489 PolarHBondContact O-N 2.68Å |
| 486 | R | 81.5 | Confident | 80.3 | Confident | 144 Ų | 144 | 91.5 Ų | 91.5 | 54% | 0.543 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 175.5 | -159.5 | -171.8 | 77.9 | -157.2 | -0.9 | 111.6 | A482 K483 T488 L489 E490 | A482-R486 VanDerWaalsContact O-CB 3.27Å; A482-R486 WeakPolarHBondContact O-CB 3.41Å; A482-R486 PolarHBondContact O-N 3.38Å; K483-R486 PolarHBondContact O-N 2.9Å; R486-T488 PolarHBondContact O-N 3.43Å; R486-L489 CarbonylContact O-C 3.53Å; R486-L489 WeakPolarHBondContact O-CB 3.38Å; R486-L489 PolarHBondContact O-N 3.17Å; R486-L489 VanDerWaalsContact O-N 3.11Å; R486-E490 WeakPolarHBondContact CD-OE1 3.43Å; R486-E490 WeakPolarHBondContact CG-OE1 3.39Å; R486-E490 IonicContact CZ-OE1 3.16Å; R486-E490 IonicContact NE-OE1 3.56Å; R486-E490 PolarHBondContact NE-OE1 2.69Å; R486-E490 IonicContact NH2-OE1 2.82Å; R486-E490 WeakPolarHBondContact O-CB 3.24Å; R486-E490 VanDerWaalsContact O-CG 3.26Å; R486-E490 WeakPolarHBondContact O-CG 3.41Å; R486-E490 PolarHBondContact O-N 3.47Å |
| 487 | V | 87.1 | Confident | 80.2 | Confident | 66 Ų | 66 | 89.3 Ų | 89.3 | 40% | 0.4 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65 | -36.1 | 174.3 | 168.1 | 0 | 0 | 0 | 0 | 111.6 | K483 K484 H485 L489 N491 | K483-V487 WeakPolarHBondContact O-CB 3.43Å; K483-V487 VanDerWaalsContact O-CG2 3.27Å; K483-V487 WeakPolarHBondContact O-CG2 3.24Å; K483-V487 PolarHBondContact O-N 2.96Å; K484-V487 PolarHBondContact O-N 3.15Å; H485-V487 PolarHBondContact O-N 3.41Å; V487-L489 VanDerWaalsContact C-N 3.34Å; V487-N491 VanDerWaalsContact O-CB 3.24Å; V487-N491 WeakPolarHBondContact O-CB 3.27Å; V487-N491 PolarHBondContact O-N 3.07Å; V487-N491 PolarHBondContact O-ND2 2.92Å |
| 488 | T | 80.5 | Confident | 80.5 | Confident | 76 Ų | 76 | 93.3 Ų | 93.3 | 47% | 0.466 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.9 | -35.5 | 170.7 | 52 | 0 | 0 | 0 | 0 | 112.4 | K484 H485 R486 N491 T492 | K484-T488 WeakPolarHBondContact O-CG2 3.36Å; K484-T488 PolarHBondContact O-N 3.39Å; K484-T488 PolarHBondContact O-OG1 2.84Å; H485-T488 VanDerWaalsContact CA-OG1 3.31Å; H485-T488 WeakPolarHBondContact CA-OG1 3.48Å; H485-T488 CarbonylContact O-C 3.58Å; H485-T488 PolarHBondContact O-N 2.92Å; H485-T488 VanDerWaalsContact O-N 3.16Å; H485-T488 PolarHBondContact O-OG1 3.16Å; R486-T488 PolarHBondContact O-N 3.43Å; T488-N491 PolarHBondContact O-N 3.35Å; T488-T492 WeakPolarHBondContact O-CG2 3.09Å; T488-T492 PolarHBondContact O-N 3.09Å; T488-T492 PolarHBondContact O-OG1 3.46Å; T488-T492 VanDerWaalsContact O-OG1 3.12Å |
| 489 | L | 77.8 | Confident | 80.9 | Confident | 84 Ų | 84 | 91 Ų | 91 | 44% | 0.44 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69 | -45.9 | 176 | -140.7 | 82.8 | 0 | 0 | 0 | 111.5 | H485 R486 V487 N491 T492 L493 | H485-L489 PolarHBondContact O-N 2.68Å; R486-L489 CarbonylContact O-C 3.53Å; R486-L489 WeakPolarHBondContact O-CB 3.38Å; R486-L489 PolarHBondContact O-N 3.17Å; R486-L489 VanDerWaalsContact O-N 3.11Å; V487-L489 VanDerWaalsContact C-N 3.34Å; L489-N491 VanDerWaalsContact C-N 3.3Å; L489-N491 PolarHBondContact O-N 2.86Å; L489-T492 WeakPolarHBondContact CA-OG1 3.2Å; L489-T492 PolarHBondContact O-N 3.48Å; L489-T492 PolarHBondContact O-OG1 3.08Å; L489-T492 VanDerWaalsContact O-OG1 3.07Å; L489-L493 VanDerWaalsContact O-CB 3.26Å; L489-L493 WeakPolarHBondContact O-CB 3.35Å; L489-L493 WeakPolarHBondContact O-CG 3.3Å; L489-L493 PolarHBondContact O-N 2.83Å |
| 490 | E | 81.6 | Confident | 81.1 | Confident | 81 Ų | 81 | 91.2 Ų | 91.2 | 38% | 0.379 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.8 | -39.8 | 173.5 | -71.6 | 162.6 | -175.5 | 0 | 0 | 110.8 | R486 T494 | R486-E490 WeakPolarHBondContact CD-OE1 3.43Å; R486-E490 WeakPolarHBondContact CG-OE1 3.39Å; R486-E490 IonicContact CZ-OE1 3.16Å; R486-E490 IonicContact NE-OE1 3.56Å; R486-E490 PolarHBondContact NE-OE1 2.69Å; R486-E490 IonicContact NH2-OE1 2.82Å; R486-E490 WeakPolarHBondContact O-CB 3.24Å; R486-E490 VanDerWaalsContact O-CG 3.26Å; R486-E490 WeakPolarHBondContact O-CG 3.41Å; R486-E490 PolarHBondContact O-N 3.47Å; E490-T494 WeakPolarHBondContact O-CB 3.27Å; E490-T494 VanDerWaalsContact O-CG2 3.27Å; E490-T494 WeakPolarHBondContact O-CG2 3.23Å; E490-T494 PolarHBondContact O-N 3.18Å; E490-T494 PolarHBondContact O-OG1 2.99Å |
| 491 | N | 81.9 | Confident | 81.2 | Confident | 91 Ų | 91 | 90.2 Ų | 90.2 | 49% | 0.487 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.9 | -45 | 174.2 | -76.7 | -35.8 | 0 | 0 | 0 | 112.4 | V487 T488 L489 T494 T495 | V487-N491 VanDerWaalsContact O-CB 3.24Å; V487-N491 WeakPolarHBondContact O-CB 3.27Å; V487-N491 PolarHBondContact O-N 3.07Å; V487-N491 PolarHBondContact O-ND2 2.92Å; T488-N491 PolarHBondContact O-N 3.35Å; L489-N491 VanDerWaalsContact C-N 3.3Å; L489-N491 PolarHBondContact O-N 2.86Å; N491-T494 PolarHBondContact O-N 3.27Å; N491-T494 PolarHBondContact O-OG1 2.89Å; N491-T495 WeakPolarHBondContact O-CG2 3.49Å; N491-T495 PolarHBondContact O-N 3.35Å; N491-T495 PolarHBondContact O-OG1 2.84Å; N491-T495 VanDerWaalsContact O-OG1 3.07Å |
| 492 | T | 81.8 | Confident | 81.7 | Confident | 83 Ų | 83 | 91.9 Ų | 91.9 | 51% | 0.509 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.4 | -38.2 | 178.6 | 51.9 | 0 | 0 | 0 | 0 | 112.4 | T488 L489 T495 A496 | T488-T492 WeakPolarHBondContact O-CG2 3.09Å; T488-T492 PolarHBondContact O-N 3.09Å; T488-T492 PolarHBondContact O-OG1 3.46Å; T488-T492 VanDerWaalsContact O-OG1 3.12Å; L489-T492 WeakPolarHBondContact CA-OG1 3.2Å; L489-T492 PolarHBondContact O-N 3.48Å; L489-T492 PolarHBondContact O-OG1 3.08Å; L489-T492 VanDerWaalsContact O-OG1 3.07Å; T492-T495 WeakPolarHBondContact CA-OG1 3.22Å; T492-T495 PolarHBondContact O-N 3.33Å; T492-T495 PolarHBondContact O-OG1 2.89Å; T492-A496 VanDerWaalsContact O-CB 3.32Å; T492-A496 WeakPolarHBondContact O-CB 3.17Å; T492-A496 PolarHBondContact O-N 3.2Å |
| 493 | L | 79.1 | Confident | 82.2 | Confident | 104 Ų | 104 | 93.6 Ų | 93.6 | 55% | 0.545 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.4 | -48.4 | 172.6 | -71.9 | 169.5 | 0 | 0 | 0 | 110.9 | L489 T495 A496 E497 | L489-L493 VanDerWaalsContact O-CB 3.26Å; L489-L493 WeakPolarHBondContact O-CB 3.35Å; L489-L493 WeakPolarHBondContact O-CG 3.3Å; L489-L493 PolarHBondContact O-N 2.83Å; L493-T495 VanDerWaalsContact C-N 3.32Å; L493-T495 PolarHBondContact O-N 2.91Å; L493-A496 CarbonylContact O-C 3.56Å; L493-A496 PolarHBondContact O-N 2.88Å; L493-A496 VanDerWaalsContact O-N 3.16Å; L493-E497 WeakPolarHBondContact O-CG 3.19Å; L493-E497 PolarHBondContact O-N 2.79Å |
| 494 | T | 83.8 | Confident | 82.1 | Confident | 52 Ų | 52 | 93 Ų | 93 | 32% | 0.319 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.3 | -22 | 178.8 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | E490 N491 K498 | E490-T494 WeakPolarHBondContact O-CB 3.27Å; E490-T494 VanDerWaalsContact O-CG2 3.27Å; E490-T494 WeakPolarHBondContact O-CG2 3.23Å; E490-T494 PolarHBondContact O-N 3.18Å; E490-T494 PolarHBondContact O-OG1 2.99Å; N491-T494 PolarHBondContact O-N 3.27Å; N491-T494 PolarHBondContact O-OG1 2.89Å; T494-K498 WeakPolarHBondContact O-CB 3.22Å; T494-K498 WeakPolarHBondContact O-CD 3.42Å; T494-K498 WeakPolarHBondContact O-CG 3.35Å; T494-K498 PolarHBondContact O-N 3.03Å; T494-K498 VanDerWaalsContact O-N 3.16Å |
| 495 | T | 83.3 | Confident | 82.3 | Confident | 71 Ų | 71 | 89.7 Ų | 89.7 | 44% | 0.436 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -73.5 | -43.6 | 165.4 | 49.3 | 0 | 0 | 0 | 0 | 111.7 | N491 T492 L493 E497 K498 D499 | N491-T495 WeakPolarHBondContact O-CG2 3.49Å; N491-T495 PolarHBondContact O-N 3.35Å; N491-T495 PolarHBondContact O-OG1 2.84Å; N491-T495 VanDerWaalsContact O-OG1 3.07Å; T492-T495 WeakPolarHBondContact CA-OG1 3.22Å; T492-T495 PolarHBondContact O-N 3.33Å; T492-T495 PolarHBondContact O-OG1 2.89Å; L493-T495 VanDerWaalsContact C-N 3.32Å; L493-T495 PolarHBondContact O-N 2.91Å; T495-E497 VanDerWaalsContact C-N 3.32Å; T495-E497 PolarHBondContact O-N 3.06Å; T495-K498 WeakPolarHBondContact O-CB 3.43Å; T495-K498 PolarHBondContact O-N 3.29Å; T495-K498 VanDerWaalsContact O-N 3.13Å; T495-D499 PolarHBondContact O-N 3.01Å |
| 496 | A | 79.3 | Confident | 82.8 | Confident | 57 Ų | 57 | 87.5 Ų | 87.5 | 47% | 0.471 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T492 L493 K500 | T492-A496 VanDerWaalsContact O-CB 3.32Å; T492-A496 WeakPolarHBondContact O-CB 3.17Å; T492-A496 PolarHBondContact O-N 3.2Å; L493-A496 CarbonylContact O-C 3.56Å; L493-A496 PolarHBondContact O-N 2.88Å; L493-A496 VanDerWaalsContact O-N 3.16Å; A496-K500 WeakPolarHBondContact O-CB 3.26Å; A496-K500 PolarHBondContact O-N 2.81Å |
| 497 | E | 81.5 | Confident | 82.8 | Confident | 104 Ų | 104 | 84.5 Ų | 84.5 | 49% | 0.486 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.7 | -40 | 171.5 | -74.9 | -166 | 118.6 | 0 | 0 | 112.4 | L493 T495 N501 | L493-E497 WeakPolarHBondContact O-CG 3.19Å; L493-E497 PolarHBondContact O-N 2.79Å; T495-E497 VanDerWaalsContact C-N 3.32Å; T495-E497 PolarHBondContact O-N 3.06Å; E497-N501 WeakPolarHBondContact O-CB 3.39Å; E497-N501 PolarHBondContact O-N 2.72Å; E497-N501 PolarHBondContact O-ND2 2.83Å; E497-N501 PolarHBondContact O-OD1 2.77Å |
| 498 | K | 85.1 | Confident | 82.5 | Confident | 135 Ų | 135 | 87.6 Ų | 87.6 | 59% | 0.587 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.2 | -47 | 174.2 | -76.7 | 161.8 | -166.2 | 155.6 | 0 | 110.9 | T494 T495 N501 R502 | T494-K498 WeakPolarHBondContact O-CB 3.22Å; T494-K498 WeakPolarHBondContact O-CD 3.42Å; T494-K498 WeakPolarHBondContact O-CG 3.35Å; T494-K498 PolarHBondContact O-N 3.03Å; T494-K498 VanDerWaalsContact O-N 3.16Å; T495-K498 WeakPolarHBondContact O-CB 3.43Å; T495-K498 PolarHBondContact O-N 3.29Å; T495-K498 VanDerWaalsContact O-N 3.13Å; K498-N501 PolarHBondContact O-N 2.81Å; K498-R502 VanDerWaalsContact O-CB 3.31Å; K498-R502 WeakPolarHBondContact O-CB 3.46Å; K498-R502 PolarHBondContact O-N 3.46Å |
| 499 | D | 82.6 | Confident | 82.8 | Confident | 77 Ų | 77 | 89.3 Ų | 89.3 | 41% | 0.412 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.5 | -38.8 | 178.4 | -77 | -44.4 | 0 | 0 | 0 | 112.4 | T495 R502 L503 | T495-D499 PolarHBondContact O-N 3.01Å; D499-R502 WeakPolarHBondContact O-CB 3.09Å; D499-R502 PolarHBondContact O-N 2.79Å; D499-R502 IonicContact OD1-NH1 2.68Å; D499-R502 PolarHBondContact OD1-NH1 2.87Å; D499-L503 WeakPolarHBondContact O-CB 3.18Å; D499-L503 WeakPolarHBondContact O-CG 3.34Å; D499-L503 PolarHBondContact O-N 3.05Å |
| 500 | K | 86.6 | Confident | 82.9 | Confident | 106 Ų | 106 | 90.5 Ų | 90.5 | 46% | 0.461 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.4 | -46.8 | 170.8 | -174.4 | -147.2 | 71.8 | -176.8 | 0 | 111.2 | A496 R502 L503 L504 | A496-K500 WeakPolarHBondContact O-CB 3.26Å; A496-K500 PolarHBondContact O-N 2.81Å; K500-R502 VanDerWaalsContact C-N 3.31Å; K500-R502 PolarHBondContact O-N 2.69Å; K500-L503 PolarHBondContact O-N 2.68Å; K500-L504 HydrophobicContact CD-CD1 4.42Å; K500-L504 HydrophobicContact CG-CD1 4.31Å; K500-L504 WeakPolarHBondContact O-CB 3.25Å; K500-L504 VanDerWaalsContact O-CG 3.3Å; K500-L504 WeakPolarHBondContact O-CG 3.49Å; K500-L504 PolarHBondContact O-N 3.01Å |
| 501 | N | 82.8 | Confident | 82.9 | Confident | 83 Ų | 83 | 93.1 Ų | 93.1 | 44% | 0.444 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.6 | -30.6 | 177.8 | -66.4 | -11.7 | 0 | 0 | 0 | 111.7 | E497 K498 A505 | E497-N501 WeakPolarHBondContact O-CB 3.39Å; E497-N501 PolarHBondContact O-N 2.72Å; E497-N501 PolarHBondContact O-ND2 2.83Å; E497-N501 PolarHBondContact O-OD1 2.77Å; K498-N501 PolarHBondContact O-N 2.81Å; N501-A505 WeakPolarHBondContact O-CB 3.39Å; N501-A505 PolarHBondContact O-N 2.78Å |
| 502 | R | 89.9 | Confident | 83.1 | Confident | 127 Ų | 127 | 92.8 Ų | 92.8 | 48% | 0.479 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.9 | -45.1 | 173.3 | -151.2 | -166.2 | 88.2 | -134.4 | -1.8 | 111.3 | K498 D499 K500 A505 E506 | K498-R502 VanDerWaalsContact O-CB 3.31Å; K498-R502 WeakPolarHBondContact O-CB 3.46Å; K498-R502 PolarHBondContact O-N 3.46Å; D499-R502 WeakPolarHBondContact O-CB 3.09Å; D499-R502 PolarHBondContact O-N 2.79Å; D499-R502 IonicContact OD1-NH1 2.68Å; D499-R502 PolarHBondContact OD1-NH1 2.87Å; K500-R502 VanDerWaalsContact C-N 3.31Å; K500-R502 PolarHBondContact O-N 2.69Å; R502-A505 PolarHBondContact O-N 3.43Å; R502-E506 IonicContact CZ-OE1 2.67Å; R502-E506 VanDerWaalsContact CZ-OE1 3.24Å; R502-E506 IonicContact NE-OE1 4Å; R502-E506 PolarHBondContact NE-OE1 3.33Å; R502-E506 IonicContact NH2-OE1 3.62Å; R502-E506 PolarHBondContact NH2-OE1 2.87Å; R502-E506 IonicContact NH2-OE2 3.77Å; R502-E506 WeakPolarHBondContact O-CB 3.28Å; R502-E506 VanDerWaalsContact O-CG 3.29Å; R502-E506 WeakPolarHBondContact O-CG 3.43Å; R502-E506 PolarHBondContact O-N 3.15Å |
| 503 | L | 83.4 | Confident | 83.4 | Confident | 93 Ų | 93 | 94.5 Ų | 94.5 | 49% | 0.487 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.2 | -37.9 | 175.1 | -72.6 | 167.7 | 0 | 0 | 0 | 112 | D499 K500 E506 L507 | D499-L503 WeakPolarHBondContact O-CB 3.18Å; D499-L503 WeakPolarHBondContact O-CG 3.34Å; D499-L503 PolarHBondContact O-N 3.05Å; K500-L503 PolarHBondContact O-N 2.68Å; L503-E506 PolarHBondContact O-N 3.48Å; L503-L507 WeakPolarHBondContact O-CB 3.36Å; L503-L507 WeakPolarHBondContact O-CG 3.46Å; L503-L507 PolarHBondContact O-N 3.04Å |
| 504 | L | 80.1 | Confident | 83.4 | Confident | 80 Ų | 80 | 94.9 Ų | 94.9 | 42% | 0.419 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 171.4 | -73.8 | 168.1 | 0 | 0 | 0 | 111.3 | K500 E506 L507 E508 | K500-L504 HydrophobicContact CD-CD1 4.42Å; K500-L504 HydrophobicContact CG-CD1 4.31Å; K500-L504 WeakPolarHBondContact O-CB 3.25Å; K500-L504 VanDerWaalsContact O-CG 3.3Å; K500-L504 WeakPolarHBondContact O-CG 3.49Å; K500-L504 PolarHBondContact O-N 3.01Å; L504-E506 VanDerWaalsContact C-N 3.33Å; L504-E506 PolarHBondContact O-N 3.07Å; L504-L507 PolarHBondContact O-N 2.93Å; L504-E508 WeakPolarHBondContact O-CB 3.35Å; L504-E508 WeakPolarHBondContact O-CG 3.39Å; L504-E508 PolarHBondContact O-N 2.7Å |
| 505 | A | 83.4 | Confident | 83.7 | Confident | 50 Ų | 50 | 97.7 Ų | 97.7 | 41% | 0.413 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.3 | -32 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N501 R502 Q509 | N501-A505 WeakPolarHBondContact O-CB 3.39Å; N501-A505 PolarHBondContact O-N 2.78Å; R502-A505 PolarHBondContact O-N 3.43Å; A505-Q509 VanDerWaalsContact O-CB 3.26Å; A505-Q509 WeakPolarHBondContact O-CB 3.44Å; A505-Q509 PolarHBondContact O-N 2.63Å |
| 506 | E | 85.7 | Confident | 83.8 | Confident | 73 Ų | 73 | 98.4 Ų | 98.4 | 34% | 0.341 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 172 | -77.1 | 169.6 | -158.7 | 0 | 0 | 111.4 | R502 L503 L504 Q510 | R502-E506 IonicContact CZ-OE1 2.67Å; R502-E506 VanDerWaalsContact CZ-OE1 3.24Å; R502-E506 IonicContact NE-OE1 4Å; R502-E506 PolarHBondContact NE-OE1 3.33Å; R502-E506 IonicContact NH2-OE1 3.62Å; R502-E506 PolarHBondContact NH2-OE1 2.87Å; R502-E506 IonicContact NH2-OE2 3.77Å; R502-E506 WeakPolarHBondContact O-CB 3.28Å; R502-E506 VanDerWaalsContact O-CG 3.29Å; R502-E506 WeakPolarHBondContact O-CG 3.43Å; R502-E506 PolarHBondContact O-N 3.15Å; L503-E506 PolarHBondContact O-N 3.48Å; L504-E506 VanDerWaalsContact C-N 3.33Å; L504-E506 PolarHBondContact O-N 3.07Å; E506-Q510 WeakPolarHBondContact O-CG 3.34Å; E506-Q510 PolarHBondContact O-N 3.19Å |
| 507 | L | 81.3 | Confident | 84.2 | Confident | 82 Ų | 82 | 97.8 Ų | 97.8 | 43% | 0.429 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.2 | -46.9 | 173.4 | -79.5 | 164 | 0 | 0 | 0 | 112.2 | L503 L504 Q509 Q510 F511 | L503-L507 WeakPolarHBondContact O-CB 3.36Å; L503-L507 WeakPolarHBondContact O-CG 3.46Å; L503-L507 PolarHBondContact O-N 3.04Å; L504-L507 PolarHBondContact O-N 2.93Å; L507-Q509 VanDerWaalsContact C-N 3.27Å; L507-Q509 PolarHBondContact O-N 2.86Å; L507-Q510 WeakPolarHBondContact O-CA 3.39Å; L507-Q510 WeakPolarHBondContact O-CB 3.31Å; L507-Q510 PolarHBondContact O-N 3.35Å; L507-F511 HydrophobicContact CB-CE2 4.42Å; L507-F511 WeakPolarHBondContact O-CD2 3.22Å; L507-F511 PolarHBondContact O-N 2.96Å |
| 508 | E | 80.9 | Confident | 84.1 | Confident | 131 Ų | 131 | 97.9 Ų | 97.9 | 61% | 0.612 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -57.5 | -41 | 174.1 | -74.1 | 171.5 | 174.8 | 0 | 0 | 110.9 | L504 F511 E512 | L504-E508 WeakPolarHBondContact O-CB 3.35Å; L504-E508 WeakPolarHBondContact O-CG 3.39Å; L504-E508 PolarHBondContact O-N 2.7Å; E508-F511 PolarHBondContact O-N 3.08Å; E508-E512 VanDerWaalsContact O-CB 3.27Å; E508-E512 WeakPolarHBondContact O-CB 3.39Å; E508-E512 PolarHBondContact O-N 3.43Å |
| 509 | Q | 87.5 | Confident | 83.9 | Confident | 111 Ų | 111 | 94.8 Ų | 94.8 | 52% | 0.519 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.6 | -31.6 | 174.6 | -166.7 | -170.8 | 93.9 | 0 | 0 | 112.9 | A505 L507 K513 | A505-Q509 VanDerWaalsContact O-CB 3.26Å; A505-Q509 WeakPolarHBondContact O-CB 3.44Å; A505-Q509 PolarHBondContact O-N 2.63Å; L507-Q509 VanDerWaalsContact C-N 3.27Å; L507-Q509 PolarHBondContact O-N 2.86Å; Q509-K513 HydrophobicContact CG-CD 4.4Å; Q509-K513 WeakPolarHBondContact O-CB 3.35Å; Q509-K513 WeakPolarHBondContact O-CD 3.36Å; Q509-K513 VanDerWaalsContact O-CG 3.23Å; Q509-K513 WeakPolarHBondContact O-CG 3.23Å; Q509-K513 PolarHBondContact O-N 3.49Å; Q509-K513 VanDerWaalsContact O-N 3.07Å |
| 510 | Q | 79.9 | Confident | 84.1 | Confident | 109 Ų | 109 | 97.5 Ų | 97.5 | 51% | 0.509 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.1 | -50.5 | 172.7 | -75.7 | 174.3 | 30.1 | 0 | 0 | 110.8 | E506 L507 E512 K513 E514 | E506-Q510 WeakPolarHBondContact O-CG 3.34Å; E506-Q510 PolarHBondContact O-N 3.19Å; L507-Q510 WeakPolarHBondContact O-CA 3.39Å; L507-Q510 WeakPolarHBondContact O-CB 3.31Å; L507-Q510 PolarHBondContact O-N 3.35Å; Q510-E512 VanDerWaalsContact C-N 3.29Å; Q510-E512 PolarHBondContact O-N 3.22Å; Q510-K513 WeakPolarHBondContact O-CB 3.46Å; Q510-K513 PolarHBondContact O-N 2.98Å; Q510-K513 VanDerWaalsContact O-N 3.15Å; Q510-E514 WeakPolarHBondContact O-CG 3.27Å; Q510-E514 PolarHBondContact O-N 2.84Å |
| 511 | F | 82.1 | Confident | 84 | Confident | 136 Ų | 136 | 97.8 Ų | 97.8 | 60% | 0.596 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -58.4 | -39.5 | 175.3 | -71.1 | -56.3 | 0 | 0 | 0 | 112.4 | L507 E508 E514 R515 | L507-F511 HydrophobicContact CB-CE2 4.42Å; L507-F511 WeakPolarHBondContact O-CD2 3.22Å; L507-F511 PolarHBondContact O-N 2.96Å; E508-F511 PolarHBondContact O-N 3.08Å; F511-E514 PolarHBondContact O-N 3.3Å; F511-R515 VanDerWaalsContact O-CB 3.22Å; F511-R515 WeakPolarHBondContact O-CB 3.23Å; F511-R515 PolarHBondContact O-N 2.86Å |
| 512 | E | 85.9 | Confident | 84.2 | Confident | 84 Ų | 84 | 100 Ų | 100 | 39% | 0.393 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.8 | -33.1 | 178.5 | -169 | 65.4 | -179.8 | 0 | 0 | 112.2 | E508 Q510 R515 L516 | E508-E512 VanDerWaalsContact O-CB 3.27Å; E508-E512 WeakPolarHBondContact O-CB 3.39Å; E508-E512 PolarHBondContact O-N 3.43Å; Q510-E512 VanDerWaalsContact C-N 3.29Å; Q510-E512 PolarHBondContact O-N 3.22Å; E512-R515 IonicContact OE1-CZ 2.7Å; E512-R515 IonicContact OE1-NE 3.63Å; E512-R515 PolarHBondContact OE1-NE 3.29Å; E512-R515 IonicContact OE1-NH2 2.75Å; E512-R515 PolarHBondContact OE1-NH2 2.98Å; E512-R515 IonicContact OE2-CZ 3.1Å; E512-R515 IonicContact OE2-NE 3.95Å; E512-R515 PolarHBondContact OE2-NE 2.78Å; E512-R515 IonicContact OE2-NH2 3.34Å; E512-L516 HydrophobicContact CG-CD1 4.41Å; E512-L516 WeakPolarHBondContact O-CB 2.95Å; E512-L516 WeakPolarHBondContact O-CD1 3.36Å; E512-L516 WeakPolarHBondContact O-CG 3.19Å; E512-L516 PolarHBondContact O-N 2.92Å |
| 513 | K | 86.5 | Confident | 83.9 | Confident | 120 Ų | 120 | 97.5 Ų | 97.5 | 52% | 0.522 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.8 | -44.1 | 170.2 | -77.2 | 164.7 | 176 | 165.8 | 0 | 112 | Q509 Q510 L516 S517 | Q509-K513 HydrophobicContact CG-CD 4.4Å; Q509-K513 WeakPolarHBondContact O-CB 3.35Å; Q509-K513 WeakPolarHBondContact O-CD 3.36Å; Q509-K513 VanDerWaalsContact O-CG 3.23Å; Q509-K513 WeakPolarHBondContact O-CG 3.23Å; Q509-K513 PolarHBondContact O-N 3.49Å; Q509-K513 VanDerWaalsContact O-N 3.07Å; Q510-K513 WeakPolarHBondContact O-CB 3.46Å; Q510-K513 PolarHBondContact O-N 2.98Å; Q510-K513 VanDerWaalsContact O-N 3.15Å; K513-L516 PolarHBondContact O-N 3.01Å; K513-S517 PolarHBondContact O-N 3.37Å; K513-S517 PolarHBondContact O-OG 3Å |
| 514 | E | 80.8 | Confident | 84 | Confident | 112 Ų | 112 | 97.7 Ų | 97.7 | 52% | 0.523 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.4 | -47.7 | 175.9 | -72 | -177.4 | 168.7 | 0 | 0 | 110.4 | Q510 F511 L516 S517 L518 | Q510-E514 WeakPolarHBondContact O-CG 3.27Å; Q510-E514 PolarHBondContact O-N 2.84Å; F511-E514 PolarHBondContact O-N 3.3Å; E514-L516 PolarHBondContact O-N 3.23Å; E514-S517 PolarHBondContact O-N 2.76Å; E514-S517 VanDerWaalsContact O-N 3.16Å; E514-S517 PolarHBondContact O-OG 2.88Å; E514-L518 WeakPolarHBondContact O-CG 3.14Å; E514-L518 PolarHBondContact O-N 3.47Å |
| 515 | R | 89.7 | Confident | 84.1 | Confident | 111 Ų | 111 | 98.7 Ų | 98.7 | 42% | 0.419 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -55.3 | -48 | 175.3 | -166.7 | -175 | 75.3 | 74.4 | -3.6 | 111.8 | F511 E512 L518 E519 | F511-R515 VanDerWaalsContact O-CB 3.22Å; F511-R515 WeakPolarHBondContact O-CB 3.23Å; F511-R515 PolarHBondContact O-N 2.86Å; E512-R515 IonicContact OE1-CZ 2.7Å; E512-R515 IonicContact OE1-NE 3.63Å; E512-R515 PolarHBondContact OE1-NE 3.29Å; E512-R515 IonicContact OE1-NH2 2.75Å; E512-R515 PolarHBondContact OE1-NH2 2.98Å; E512-R515 IonicContact OE2-CZ 3.1Å; E512-R515 IonicContact OE2-NE 3.95Å; E512-R515 PolarHBondContact OE2-NE 2.78Å; E512-R515 IonicContact OE2-NH2 3.34Å; R515-L518 PolarHBondContact O-N 2.86Å; R515-E519 IonicContact NH1-OE2 2.84Å; R515-E519 PolarHBondContact NH1-OE2 2.7Å; R515-E519 WeakPolarHBondContact O-CB 3.13Å; R515-E519 PolarHBondContact O-N 3.1Å |
| 516 | L | 85.6 | Confident | 84 | Confident | 85 Ų | 85 | 99 Ų | 99 | 45% | 0.445 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 176.6 | -75 | 167.7 | 0 | 0 | 0 | 111.8 | E512 K513 E514 L518 E519 E520 | E512-L516 HydrophobicContact CG-CD1 4.41Å; E512-L516 WeakPolarHBondContact O-CB 2.95Å; E512-L516 WeakPolarHBondContact O-CD1 3.36Å; E512-L516 WeakPolarHBondContact O-CG 3.19Å; E512-L516 PolarHBondContact O-N 2.92Å; K513-L516 PolarHBondContact O-N 3.01Å; E514-L516 PolarHBondContact O-N 3.23Å; L516-L518 VanDerWaalsContact C-N 3.32Å; L516-L518 PolarHBondContact O-N 3.39Å; L516-E519 WeakPolarHBondContact O-CB 3.49Å; L516-E519 PolarHBondContact O-N 2.73Å; L516-E519 VanDerWaalsContact O-N 3.15Å; L516-E520 WeakPolarHBondContact O-CG 3.27Å; L516-E520 PolarHBondContact O-N 3.42Å |
| 517 | S | 86 | Confident | 83.9 | Confident | 44 Ų | 44 | 101.2 Ų | 101.2 | 31% | 0.308 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.5 | -31 | 178.4 | 71.9 | 0 | 0 | 0 | 0 | 113.6 | K513 E514 Q521 | K513-S517 PolarHBondContact O-N 3.37Å; K513-S517 PolarHBondContact O-OG 3Å; E514-S517 PolarHBondContact O-N 2.76Å; E514-S517 VanDerWaalsContact O-N 3.16Å; E514-S517 PolarHBondContact O-OG 2.88Å; S517-Q521 VanDerWaalsContact O-CG 3.26Å; S517-Q521 WeakPolarHBondContact O-CG 3.45Å; S517-Q521 PolarHBondContact O-N 3.21Å |
| 518 | L | 79.5 | Confident | 84 | Confident | 107 Ų | 107 | 102 Ų | 102 | 56% | 0.56 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -72.3 | -36.3 | 171.8 | -70.2 | 169.7 | 0 | 0 | 0 | 111.7 | E514 R515 L516 Q521 K522 | E514-L518 WeakPolarHBondContact O-CG 3.14Å; E514-L518 PolarHBondContact O-N 3.47Å; R515-L518 PolarHBondContact O-N 2.86Å; L516-L518 VanDerWaalsContact C-N 3.32Å; L516-L518 PolarHBondContact O-N 3.39Å; L518-Q521 PolarHBondContact O-N 2.75Å; L518-K522 WeakPolarHBondContact O-CB 3.5Å; L518-K522 PolarHBondContact O-N 2.67Å |
| 519 | E | 82.6 | Confident | 83.9 | Confident | 70 Ų | 70 | 100.8 Ų | 100.8 | 33% | 0.327 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.1 | -36.1 | 173.7 | -150.4 | 82 | -112.5 | 0 | 0 | 111.6 | R515 L516 K522 T523 | R515-E519 IonicContact NH1-OE2 2.84Å; R515-E519 PolarHBondContact NH1-OE2 2.7Å; R515-E519 WeakPolarHBondContact O-CB 3.13Å; R515-E519 PolarHBondContact O-N 3.1Å; L516-E519 WeakPolarHBondContact O-CB 3.49Å; L516-E519 PolarHBondContact O-N 2.73Å; L516-E519 VanDerWaalsContact O-N 3.15Å; E519-K522 WeakPolarHBondContact OE1-CD 3.12Å; E519-K522 WeakPolarHBondContact OE1-CE 3.1Å; E519-K522 IonicContact OE1-NZ 3.67Å; E519-K522 PolarHBondContact OE1-NZ 2.8Å; E519-T523 WeakPolarHBondContact O-CB 3.12Å; E519-T523 WeakPolarHBondContact O-CG2 3.48Å; E519-T523 PolarHBondContact O-N 3.36Å; E519-T523 PolarHBondContact O-OG1 2.73Å |
| 520 | E | 86.2 | Confident | 83.8 | Confident | 134 Ų | 134 | 98.7 Ų | 98.7 | 63% | 0.626 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.3 | -45.6 | 171.2 | -74.9 | 176.4 | 170 | 0 | 0 | 111.7 | L516 K522 T523 L524 | L516-E520 WeakPolarHBondContact O-CG 3.27Å; L516-E520 PolarHBondContact O-N 3.42Å; E520-K522 PolarHBondContact O-N 3.2Å; E520-T523 WeakPolarHBondContact CA-OG1 3.46Å; E520-T523 PolarHBondContact O-N 2.79Å; E520-T523 PolarHBondContact O-OG1 2.92Å; E520-T523 VanDerWaalsContact O-OG1 3.06Å; E520-L524 WeakPolarHBondContact O-CB 3.5Å; E520-L524 PolarHBondContact O-N 3.42Å |
| 521 | Q | 83.5 | Confident | 84 | Confident | 112 Ų | 112 | 99.5 Ų | 99.5 | 52% | 0.523 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 175 | -73.4 | 170.2 | 34 | 0 | 0 | 111.9 | S517 L518 L524 L525 | S517-Q521 VanDerWaalsContact O-CG 3.26Å; S517-Q521 WeakPolarHBondContact O-CG 3.45Å; S517-Q521 PolarHBondContact O-N 3.21Å; L518-Q521 PolarHBondContact O-N 2.75Å; Q521-L524 PolarHBondContact O-N 3.37Å; Q521-L525 WeakPolarHBondContact O-CB 3.34Å; Q521-L525 WeakPolarHBondContact O-CG 3.05Å; Q521-L525 PolarHBondContact O-N 2.94Å |
| 522 | K | 87.8 | Confident | 84 | Confident | 128 Ų | 128 | 98.3 Ų | 98.3 | 56% | 0.557 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.7 | -41 | 176.4 | 172.1 | -176.9 | 161.7 | -162.1 | 0 | 112.7 | L518 E519 E520 S526 | L518-K522 WeakPolarHBondContact O-CB 3.5Å; L518-K522 PolarHBondContact O-N 2.67Å; E519-K522 WeakPolarHBondContact OE1-CD 3.12Å; E519-K522 WeakPolarHBondContact OE1-CE 3.1Å; E519-K522 IonicContact OE1-NZ 3.67Å; E519-K522 PolarHBondContact OE1-NZ 2.8Å; E520-K522 PolarHBondContact O-N 3.2Å; K522-S526 PolarHBondContact O-N 2.79Å |
| 523 | T | 82.8 | Confident | 83.9 | Confident | 75 Ų | 75 | 101.3 Ų | 101.3 | 46% | 0.46 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.2 | -38.1 | 177.4 | 44.9 | 0 | 0 | 0 | 0 | 111.9 | E519 E520 S526 Q527 | E519-T523 WeakPolarHBondContact O-CB 3.12Å; E519-T523 WeakPolarHBondContact O-CG2 3.48Å; E519-T523 PolarHBondContact O-N 3.36Å; E519-T523 PolarHBondContact O-OG1 2.73Å; E520-T523 WeakPolarHBondContact CA-OG1 3.46Å; E520-T523 PolarHBondContact O-N 2.79Å; E520-T523 PolarHBondContact O-OG1 2.92Å; E520-T523 VanDerWaalsContact O-OG1 3.06Å; T523-S526 PolarHBondContact O-N 3.22Å; T523-Q527 WeakPolarHBondContact O-CG 3.12Å; T523-Q527 PolarHBondContact O-N 3.44Å |
| 524 | L | 86.7 | Confident | 83.7 | Confident | 97 Ų | 97 | 102.5 Ų | 102.5 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 172.2 | -170.8 | 71.3 | 0 | 0 | 0 | 112.1 | E520 Q521 Q527 Q528 | E520-L524 WeakPolarHBondContact O-CB 3.5Å; E520-L524 PolarHBondContact O-N 3.42Å; Q521-L524 PolarHBondContact O-N 3.37Å; L524-Q527 PolarHBondContact O-N 2.81Å; L524-Q528 WeakPolarHBondContact O-CG 3.5Å; L524-Q528 PolarHBondContact O-N 2.86Å |
| 525 | L | 81.6 | Confident | 83.8 | Confident | 102 Ų | 102 | 102.1 Ų | 102.1 | 53% | 0.534 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.5 | -35.3 | 174.6 | -74.7 | 167.9 | 0 | 0 | 0 | 112.7 | Q521 L529 | Q521-L525 WeakPolarHBondContact O-CB 3.34Å; Q521-L525 WeakPolarHBondContact O-CG 3.05Å; Q521-L525 PolarHBondContact O-N 2.94Å; L525-L529 WeakPolarHBondContact O-CG 3.39Å; L525-L529 PolarHBondContact O-N 2.85Å; L525-L529 VanDerWaalsContact O-N 3.12Å |
| 526 | S | 81 | Confident | 83.2 | Confident | 56 Ų | 56 | 102.1 Ų | 102.1 | 39% | 0.392 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 173.4 | -161.4 | 0 | 0 | 0 | 0 | 111.4 | K522 T523 Q528 L529 D530 | K522-S526 PolarHBondContact O-N 2.79Å; T523-S526 PolarHBondContact O-N 3.22Å; S526-Q528 VanDerWaalsContact C-N 3.35Å; S526-Q528 PolarHBondContact O-N 2.71Å; S526-L529 PolarHBondContact O-N 3.03Å; S526-L529 VanDerWaalsContact O-N 3.14Å; S526-D530 PolarHBondContact O-N 3.42Å; S526-D530 PolarHBondContact OG-OD2 3.45Å |
| 527 | Q | 83.1 | Confident | 83 | Confident | 120 Ų | 120 | 101.5 Ų | 101.5 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.4 | -45.9 | 176.1 | -75.5 | 176.1 | -18.7 | 0 | 0 | 111.4 | T523 L524 L529 D530 E531 | T523-Q527 WeakPolarHBondContact O-CG 3.12Å; T523-Q527 PolarHBondContact O-N 3.44Å; L524-Q527 PolarHBondContact O-N 2.81Å; Q527-L529 VanDerWaalsContact C-N 3.31Å; Q527-L529 PolarHBondContact O-N 3.35Å; Q527-D530 PolarHBondContact O-N 3.04Å; Q527-D530 VanDerWaalsContact O-N 3.14Å; Q527-E531 WeakPolarHBondContact O-CB 3.08Å; Q527-E531 WeakPolarHBondContact O-CG 3.04Å; Q527-E531 PolarHBondContact O-N 3.39Å |
| 528 | Q | 83.8 | Confident | 82.7 | Confident | 97 Ų | 97 | 102 Ų | 102 | 45% | 0.453 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -36.4 | 175.8 | -70.9 | 175 | -2.6 | 0 | 0 | 113.2 | L524 S526 M532 | L524-Q528 WeakPolarHBondContact O-CG 3.5Å; L524-Q528 PolarHBondContact O-N 2.86Å; S526-Q528 VanDerWaalsContact C-N 3.35Å; S526-Q528 PolarHBondContact O-N 2.71Å; Q528-M532 WeakPolarHBondContact O-CB 3.4Å; Q528-M532 VanDerWaalsContact O-CG 3.22Å; Q528-M532 WeakPolarHBondContact O-CG 3.4Å; Q528-M532 PolarHBondContact O-N 2.86Å |
| 529 | L | 80.4 | Confident | 82.9 | Confident | 106 Ų | 106 | 102.6 Ų | 102.6 | 56% | 0.555 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.8 | -36.4 | 174.7 | -74.7 | 170.4 | 0 | 0 | 0 | 112.5 | L525 S526 Q527 R533 | L525-L529 WeakPolarHBondContact O-CG 3.39Å; L525-L529 PolarHBondContact O-N 2.85Å; L525-L529 VanDerWaalsContact O-N 3.12Å; S526-L529 PolarHBondContact O-N 3.03Å; S526-L529 VanDerWaalsContact O-N 3.14Å; Q527-L529 VanDerWaalsContact C-N 3.31Å; Q527-L529 PolarHBondContact O-N 3.35Å; L529-R533 WeakPolarHBondContact O-CD 3.38Å; L529-R533 VanDerWaalsContact O-CG 3.23Å; L529-R533 WeakPolarHBondContact O-CG 3.44Å; L529-R533 PolarHBondContact O-N 2.98Å; L529-R533 VanDerWaalsContact O-N 3.1Å |
| 530 | D | 83.6 | Confident | 82.8 | Confident | 67 Ų | 67 | 104.5 Ų | 104.5 | 36% | 0.358 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -78.2 | -37.6 | -179.7 | -68.8 | -42.2 | 0 | 0 | 0 | 112.3 | S526 Q527 M532 R533 E534 | S526-D530 PolarHBondContact O-N 3.42Å; S526-D530 PolarHBondContact OG-OD2 3.45Å; Q527-D530 PolarHBondContact O-N 3.04Å; Q527-D530 VanDerWaalsContact O-N 3.14Å; D530-M532 VanDerWaalsContact C-N 3.34Å; D530-M532 PolarHBondContact O-N 3.48Å; D530-R533 WeakPolarHBondContact O-CB 3.5Å; D530-R533 PolarHBondContact O-N 2.89Å; D530-R533 VanDerWaalsContact O-N 3.08Å; D530-R533 VanDerWaalsContact OD1-CD 3.29Å; D530-R533 WeakPolarHBondContact OD1-CD 3.46Å; D530-R533 IonicContact OD1-CZ 2.68Å; D530-R533 IonicContact OD1-NE 2.64Å; D530-R533 IonicContact OD1-NH1 3.97Å; D530-R533 PolarHBondContact OD1-NH1 3.02Å; D530-E534 PolarHBondContact O-N 2.7Å |
| 531 | E | 85.7 | Confident | 82.6 | Confident | 126 Ų | 126 | 105.3 Ų | 105.3 | 59% | 0.589 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -56.7 | -46.2 | 167.5 | -73.4 | 176 | 158.9 | 0 | 0 | 111.3 | Q527 R533 E534 E535 | Q527-E531 WeakPolarHBondContact O-CB 3.08Å; Q527-E531 WeakPolarHBondContact O-CG 3.04Å; Q527-E531 PolarHBondContact O-N 3.39Å; E531-R533 VanDerWaalsContact C-N 3.28Å; E531-R533 PolarHBondContact O-N 3.34Å; E531-E534 PolarHBondContact O-N 2.82Å; E531-E535 PolarHBondContact O-N 3.45Å |
| 532 | M | 80.8 | Confident | 82.3 | Confident | 111 Ų | 111 | 102.7 Ų | 102.7 | 55% | 0.547 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -31.2 | 175.2 | -76 | -69.3 | -66.1 | 0 | 0 | 112.9 | Q528 D530 L536 | Q528-M532 WeakPolarHBondContact O-CB 3.4Å; Q528-M532 VanDerWaalsContact O-CG 3.22Å; Q528-M532 WeakPolarHBondContact O-CG 3.4Å; Q528-M532 PolarHBondContact O-N 2.86Å; D530-M532 VanDerWaalsContact C-N 3.34Å; D530-M532 PolarHBondContact O-N 3.48Å; M532-L536 WeakPolarHBondContact O-CB 3.48Å; M532-L536 WeakPolarHBondContact O-CD1 3.35Å; M532-L536 VanDerWaalsContact O-CG 3.27Å; M532-L536 WeakPolarHBondContact O-CG 3.41Å; M532-L536 PolarHBondContact O-N 2.88Å; M532-L536 VanDerWaalsContact O-N 3.12Å |
| 533 | R | 84.3 | Confident | 81.8 | Confident | 147 Ų | 147 | 99.1 Ų | 99.1 | 56% | 0.555 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -72.3 | -38.9 | 173.5 | -73.6 | 159.1 | 170.2 | 172.9 | -1.2 | 111.9 | L529 D530 E531 L536 T537 | L529-R533 WeakPolarHBondContact O-CD 3.38Å; L529-R533 VanDerWaalsContact O-CG 3.23Å; L529-R533 WeakPolarHBondContact O-CG 3.44Å; L529-R533 PolarHBondContact O-N 2.98Å; L529-R533 VanDerWaalsContact O-N 3.1Å; D530-R533 WeakPolarHBondContact O-CB 3.5Å; D530-R533 PolarHBondContact O-N 2.89Å; D530-R533 VanDerWaalsContact O-N 3.08Å; D530-R533 VanDerWaalsContact OD1-CD 3.29Å; D530-R533 WeakPolarHBondContact OD1-CD 3.46Å; D530-R533 IonicContact OD1-CZ 2.68Å; D530-R533 IonicContact OD1-NE 2.64Å; D530-R533 IonicContact OD1-NH1 3.97Å; D530-R533 PolarHBondContact OD1-NH1 3.02Å; E531-R533 VanDerWaalsContact C-N 3.28Å; E531-R533 PolarHBondContact O-N 3.34Å; R533-L536 PolarHBondContact O-N 3.28Å; R533-T537 WeakPolarHBondContact O-CB 3.39Å; R533-T537 WeakPolarHBondContact O-CG2 3.48Å; R533-T537 PolarHBondContact O-N 3.46Å; R533-T537 PolarHBondContact O-OG1 3.32Å |
| 534 | E | 83.2 | Confident | 81.5 | Confident | 145 Ų | 145 | 100.4 Ų | 100.4 | 68% | 0.678 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.2 | -38.9 | 174.8 | -67.7 | -155.3 | 146.1 | 0 | 0 | 112 | D530 E531 L536 T537 S538 | D530-E534 PolarHBondContact O-N 2.7Å; E531-E534 PolarHBondContact O-N 2.82Å; E534-L536 PolarHBondContact O-N 3.27Å; E534-T537 WeakPolarHBondContact CA-OG1 3.21Å; E534-T537 PolarHBondContact O-OG1 2.92Å; E534-S538 VanDerWaalsContact O-CB 3.29Å; E534-S538 WeakPolarHBondContact O-CB 3.22Å; E534-S538 PolarHBondContact O-N 2.85Å; E534-S538 PolarHBondContact O-OG 3.27Å |
| 535 | E | 82 | Confident | 81.2 | Confident | 104 Ų | 104 | 101.6 Ų | 101.6 | 49% | 0.486 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 170.8 | -87.4 | -147.2 | -173.5 | 0 | 0 | 112.5 | E531 S538 K539 | E531-E535 PolarHBondContact O-N 3.45Å; E535-S538 WeakPolarHBondContact CA-OG 3.2Å; E535-S538 PolarHBondContact O-OG 2.84Å; E535-K539 WeakPolarHBondContact O-CB 3.41Å; E535-K539 WeakPolarHBondContact O-CD 3.48Å; E535-K539 WeakPolarHBondContact O-CE 3.46Å; E535-K539 WeakPolarHBondContact O-CG 3.48Å; E535-K539 PolarHBondContact O-N 3Å; E535-K539 IonicContact OE2-NZ 3.74Å; E535-K539 PolarHBondContact OE2-NZ 3.43Å |
| 536 | L | 77.9 | Confident | 80.9 | Confident | 111 Ų | 111 | 100.7 Ų | 100.7 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.4 | -40 | 179.8 | -73.2 | 168.8 | 0 | 0 | 0 | 112.3 | M532 R533 E534 L540 | M532-L536 WeakPolarHBondContact O-CB 3.48Å; M532-L536 WeakPolarHBondContact O-CD1 3.35Å; M532-L536 VanDerWaalsContact O-CG 3.27Å; M532-L536 WeakPolarHBondContact O-CG 3.41Å; M532-L536 PolarHBondContact O-N 2.88Å; M532-L536 VanDerWaalsContact O-N 3.12Å; R533-L536 PolarHBondContact O-N 3.28Å; E534-L536 PolarHBondContact O-N 3.27Å; L536-L540 WeakPolarHBondContact O-CB 3.36Å; L536-L540 PolarHBondContact O-N 2.81Å |
| 537 | T | 81.2 | Confident | 80.7 | Confident | 72 Ų | 72 | 101.6 Ų | 101.6 | 44% | 0.442 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -74.9 | -29 | 179.4 | 52.6 | 0 | 0 | 0 | 0 | 113.4 | R533 E534 R541 | R533-T537 WeakPolarHBondContact O-CB 3.39Å; R533-T537 WeakPolarHBondContact O-CG2 3.48Å; R533-T537 PolarHBondContact O-N 3.46Å; R533-T537 PolarHBondContact O-OG1 3.32Å; E534-T537 WeakPolarHBondContact CA-OG1 3.21Å; E534-T537 PolarHBondContact O-OG1 2.92Å; T537-R541 WeakPolarHBondContact O-CB 3.35Å; T537-R541 PolarHBondContact O-N 3.44Å |
| 538 | S | 80.3 | Confident | 80.3 | Confident | 54 Ų | 54 | 99.3 Ų | 99.3 | 38% | 0.378 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.6 | -42.6 | 170.3 | 54.2 | 0 | 0 | 0 | 0 | 112.1 | E534 E535 L540 R541 A542 | E534-S538 VanDerWaalsContact O-CB 3.29Å; E534-S538 WeakPolarHBondContact O-CB 3.22Å; E534-S538 PolarHBondContact O-N 2.85Å; E534-S538 PolarHBondContact O-OG 3.27Å; E535-S538 WeakPolarHBondContact CA-OG 3.2Å; E535-S538 PolarHBondContact O-OG 2.84Å; S538-L540 VanDerWaalsContact C-N 3.34Å; S538-L540 PolarHBondContact O-N 3.5Å; S538-R541 WeakPolarHBondContact O-CB 3.43Å; S538-R541 PolarHBondContact O-N 2.93Å; S538-A542 PolarHBondContact O-N 3.37Å |
| 539 | K | 82.1 | Confident | 80.1 | Confident | 120 Ų | 120 | 100.8 Ų | 100.8 | 52% | 0.522 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 172.6 | -70 | 163.3 | -163.2 | 168.6 | 0 | 112.2 | E535 A543 | E535-K539 WeakPolarHBondContact O-CB 3.41Å; E535-K539 WeakPolarHBondContact O-CD 3.48Å; E535-K539 WeakPolarHBondContact O-CE 3.46Å; E535-K539 WeakPolarHBondContact O-CG 3.48Å; E535-K539 PolarHBondContact O-N 3Å; E535-K539 IonicContact OE2-NZ 3.74Å; E535-K539 PolarHBondContact OE2-NZ 3.43Å; K539-A543 PolarHBondContact O-N 2.76Å |
| 540 | L | 81.1 | Confident | 79.6 | Confident | 110 Ų | 110 | 100 Ų | 100 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.4 | -38.5 | 174.7 | -174.2 | 69.5 | 0 | 0 | 0 | 112.5 | L536 S538 A543 N544 | L536-L540 WeakPolarHBondContact O-CB 3.36Å; L536-L540 PolarHBondContact O-N 2.81Å; S538-L540 VanDerWaalsContact C-N 3.34Å; S538-L540 PolarHBondContact O-N 3.5Å; L540-A543 PolarHBondContact O-N 2.71Å; L540-N544 PolarHBondContact O-N 2.84Å |
| 541 | R | 81.3 | Confident | 79 | Confident | 152 Ų | 152 | 101.7 Ų | 101.7 | 57% | 0.574 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.2 | -48.5 | 179.9 | -164.5 | -175.9 | -54.1 | 160.2 | 7.9 | 111.9 | T537 S538 A543 N544 E545 | T537-R541 WeakPolarHBondContact O-CB 3.35Å; T537-R541 PolarHBondContact O-N 3.44Å; S538-R541 WeakPolarHBondContact O-CB 3.43Å; S538-R541 PolarHBondContact O-N 2.93Å; R541-A543 VanDerWaalsContact C-N 3.26Å; R541-A543 PolarHBondContact O-N 3.37Å; R541-N544 PolarHBondContact O-N 2.96Å; R541-N544 VanDerWaalsContact O-N 3.11Å; R541-E545 WeakPolarHBondContact CG-OE1 3.44Å; R541-E545 PolarHBondContact O-N 3Å; R541-E545 VanDerWaalsContact O-N 3.11Å |
| 542 | A | 78.4 | Confident | 78.1 | Confident | 57 Ų | 57 | 102.5 Ų | 102.5 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59 | -35.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | S538 E546 | S538-A542 PolarHBondContact O-N 3.37Å; A542-E546 PolarHBondContact O-N 2.74Å |
| 543 | A | 75.9 | Confident | 77.4 | Confident | 53 Ų | 53 | 103 Ų | 103 | 44% | 0.438 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.8 | -39.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K539 L540 R541 V547 | K539-A543 PolarHBondContact O-N 2.76Å; L540-A543 PolarHBondContact O-N 2.71Å; R541-A543 VanDerWaalsContact C-N 3.26Å; R541-A543 PolarHBondContact O-N 3.37Å; A543-V547 WeakPolarHBondContact O-CG2 3.41Å; A543-V547 PolarHBondContact O-N 3.22Å |
| 544 | N | 76.6 | Confident | 76.3 | Confident | 102 Ų | 102 | 100.7 Ų | 100.7 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.6 | -33.2 | 177.4 | -83.4 | -11.3 | 0 | 0 | 0 | 113.1 | L540 R541 V547 S548 | L540-N544 PolarHBondContact O-N 2.84Å; R541-N544 PolarHBondContact O-N 2.96Å; R541-N544 VanDerWaalsContact O-N 3.11Å; N544-V547 PolarHBondContact O-N 2.78Å; N544-S548 WeakPolarHBondContact O-CB 3.33Å; N544-S548 PolarHBondContact O-N 2.9Å; N544-S548 PolarHBondContact O-OG 2.73Å |
| 545 | E | 80.2 | Confident | 75.2 | Confident | 122 Ų | 122 | 101.1 Ų | 101.1 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.4 | -41.5 | 175.9 | -71.8 | 167.2 | -173.1 | 0 | 0 | 111 | R541 S548 R549 | R541-E545 WeakPolarHBondContact CG-OE1 3.44Å; R541-E545 PolarHBondContact O-N 3Å; R541-E545 VanDerWaalsContact O-N 3.11Å; E545-S548 WeakPolarHBondContact O-CB 3.27Å; E545-S548 PolarHBondContact O-N 3.39Å; E545-R549 PolarHBondContact O-N 2.76Å; E545-R549 VanDerWaalsContact O-N 3.13Å |
| 546 | E | 77.3 | Confident | 73.8 | Confident | 83 Ų | 83 | 104 Ų | 104 | 39% | 0.388 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | 175.8 | 179 | 60.7 | -174.4 | 0 | 0 | 113.1 | A542 S548 R549 L550 | A542-E546 PolarHBondContact O-N 2.74Å; E546-S548 VanDerWaalsContact C-N 3.26Å; E546-S548 PolarHBondContact O-N 3.48Å; E546-R549 VanDerWaalsContact CD-NH2 3.31Å; E546-R549 WeakPolarHBondContact O-CB 3.24Å; E546-R549 PolarHBondContact O-N 2.85Å; E546-R549 IonicContact OE1-CZ 3.52Å; E546-R549 IonicContact OE1-NE 3.42Å; E546-R549 IonicContact OE1-NH2 3.28Å; E546-R549 PolarHBondContact OE1-NH2 3.3Å; E546-R549 IonicContact OE2-CZ 2.68Å; E546-R549 IonicContact OE2-NE 2.64Å; E546-R549 PolarHBondContact OE2-NE 3.33Å; E546-R549 IonicContact OE2-NH2 3.48Å; E546-R549 PolarHBondContact OE2-NH2 2.79Å; E546-R549 VanDerWaalsContact OE2-NH2 3.1Å; E546-L550 PolarHBondContact O-N 2.93Å |
| 547 | V | 75.6 | Confident | 72.7 | Confident | 74 Ų | 74 | 101.5 Ų | 101.5 | 45% | 0.448 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.1 | -38.2 | 173.3 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | A543 N544 R549 L550 Q551 | A543-V547 WeakPolarHBondContact O-CG2 3.41Å; A543-V547 PolarHBondContact O-N 3.22Å; N544-V547 PolarHBondContact O-N 2.78Å; V547-R549 VanDerWaalsContact C-N 3.34Å; V547-R549 PolarHBondContact O-N 3.24Å; V547-L550 PolarHBondContact O-N 3.03Å; V547-Q551 WeakPolarHBondContact O-CG 3.2Å; V547-Q551 PolarHBondContact O-N 2.73Å |
| 548 | S | 75 | Confident | 71.1 | Confident | 72 Ų | 72 | 105.2 Ų | 105.2 | 50% | 0.503 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.6 | -35.5 | 179.1 | -57.3 | 0 | 0 | 0 | 0 | 112.3 | N544 E545 E546 Q551 | N544-S548 WeakPolarHBondContact O-CB 3.33Å; N544-S548 PolarHBondContact O-N 2.9Å; N544-S548 PolarHBondContact O-OG 2.73Å; E545-S548 WeakPolarHBondContact O-CB 3.27Å; E545-S548 PolarHBondContact O-N 3.39Å; E546-S548 VanDerWaalsContact C-N 3.26Å; E546-S548 PolarHBondContact O-N 3.48Å; S548-Q551 PolarHBondContact O-N 3.44Å |
| 549 | R | 79.7 | Confident | 69.4 | Low | 129 Ų | 129 | 110.5 Ų | 110.5 | 49% | 0.487 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.2 | -50.5 | 175.6 | -171.5 | 170.5 | 73.5 | 98.7 | -3.4 | 111.7 | E545 E546 V547 Q551 Q552 | E545-R549 PolarHBondContact O-N 2.76Å; E545-R549 VanDerWaalsContact O-N 3.13Å; E546-R549 VanDerWaalsContact CD-NH2 3.31Å; E546-R549 WeakPolarHBondContact O-CB 3.24Å; E546-R549 PolarHBondContact O-N 2.85Å; E546-R549 IonicContact OE1-CZ 3.52Å; E546-R549 IonicContact OE1-NE 3.42Å; E546-R549 IonicContact OE1-NH2 3.28Å; E546-R549 PolarHBondContact OE1-NH2 3.3Å; E546-R549 IonicContact OE2-CZ 2.68Å; E546-R549 IonicContact OE2-NE 2.64Å; E546-R549 PolarHBondContact OE2-NE 3.33Å; E546-R549 IonicContact OE2-NH2 3.48Å; E546-R549 PolarHBondContact OE2-NH2 2.79Å; E546-R549 VanDerWaalsContact OE2-NH2 3.1Å; V547-R549 VanDerWaalsContact C-N 3.34Å; V547-R549 PolarHBondContact O-N 3.24Å; R549-Q551 VanDerWaalsContact C-N 3.31Å; R549-Q551 PolarHBondContact O-N 3.13Å; R549-Q552 WeakPolarHBondContact O-CB 3.11Å; R549-Q552 PolarHBondContact O-N 2.89Å |
| 550 | L | 70.4 | Confident | 67.6 | Low | 88 Ų | 88 | 111.5 Ų | 111.5 | 46% | 0.461 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.9 | -36.9 | -179.5 | -64.7 | 169.9 | 0 | 0 | 0 | 112.5 | E546 V547 Q552 E553 | E546-L550 PolarHBondContact O-N 2.93Å; V547-L550 PolarHBondContact O-N 3.03Å; L550-Q552 PolarHBondContact O-N 3.44Å; L550-E553 PolarHBondContact O-N 3.06Å |
| 551 | Q | 69.8 | Low | 65.8 | Low | 104 Ų | 104 | 116 Ų | 116 | 49% | 0.486 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.7 | -11.8 | 176.1 | -69.8 | -174.7 | 16.5 | 0 | 0 | 114.6 | V547 S548 R549 R555 | V547-Q551 WeakPolarHBondContact O-CG 3.2Å; V547-Q551 PolarHBondContact O-N 2.73Å; S548-Q551 PolarHBondContact O-N 3.44Å; R549-Q551 VanDerWaalsContact C-N 3.31Å; R549-Q551 PolarHBondContact O-N 3.13Å; Q551-R555 PolarHBondContact O-NE 3.44Å |
| 552 | Q | 68.3 | Low | 64.5 | Low | 142 Ų | 142 | 112.2 Ų | 112.2 | 66% | 0.664 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -95.6 | -23.8 | 179.4 | -157.1 | 172.7 | 31.9 | 0 | 0 | 112.5 | R549 L550 | R549-Q552 WeakPolarHBondContact O-CB 3.11Å; R549-Q552 PolarHBondContact O-N 2.89Å; L550-Q552 PolarHBondContact O-N 3.44Å |
| 553 | E | 66.1 | Low | 63.1 | Low | 122 Ų | 122 | 114.4 Ų | 114.4 | 57% | 0.57 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -74 | -39.6 | 174.7 | -64.4 | -174.6 | 158.2 | 0 | 0 | 111.7 | L550 R555 K556 | L550-E553 PolarHBondContact O-N 3.06Å; E553-R555 PolarHBondContact O-N 2.94Å; E553-K556 PolarHBondContact O-N 3.03Å |
| 554 | V | 59.9 | Low | 61.9 | Low | 99 Ų | 99 | 115.5 Ų | 115.5 | 60% | 0.6 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -58.2 | -44.7 | 179.3 | 176.6 | 0 | 0 | 0 | 0 | 112.4 | K556 G557 | V554-K556 PolarHBondContact O-N 3.12Å; V554-K556 VanDerWaalsContact O-N 3.16Å; V554-G557 PolarHBondContact O-N 3.34Å |
| 555 | R | 60.3 | Low | 60.6 | Low | 154 Ų | 154 | 117 Ų | 117 | 58% | 0.581 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -65.4 | -20.3 | -174.8 | -59 | 179.4 | -149.6 | -145.2 | 1.9 | 113.6 | Q551 E553 G557 | Q551-R555 PolarHBondContact O-NE 3.44Å; E553-R555 PolarHBondContact O-N 2.94Å; R555-G557 VanDerWaalsContact C-N 3.28Å; R555-G557 PolarHBondContact O-N 2.94Å |
| 556 | K | 52.5 | Low | 59.5 | Low | 164 Ų | 164 | 114.7 Ų | 114.7 | 71% | 0.713 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -76.3 | -12.2 | 174.5 | -75.6 | -174.1 | 172.4 | -179 | 0 | 113.7 | E553 V554 | E553-K556 PolarHBondContact O-N 3.03Å; V554-K556 PolarHBondContact O-N 3.12Å; V554-K556 VanDerWaalsContact O-N 3.16Å |
| 557 | G | 55 | Low | 58.3 | Low | 59 Ų | 59 | 118.9 Ų | 118.9 | 61% | 0.608 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -85 | -6.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | V554 R555 | V554-G557 PolarHBondContact O-N 3.34Å; R555-G557 VanDerWaalsContact C-N 3.28Å; R555-G557 PolarHBondContact O-N 2.94Å |
| 558 | E | 48.1 | Very low | 57.3 | Low | 149 Ų | 149 | 118.4 Ų | 118.4 | 70% | 0.696 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -100.3 | -5.7 | -168.1 | -60 | -176.5 | 126.2 | 0 | 0 | 113.7 | ||
| 559 | E | 43.5 | Very low | 56.3 | Low | 166 Ų | 166 | 118.3 Ų | 118.3 | 78% | 0.776 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -89.9 | -11 | -170.8 | -59.9 | -172.9 | 133.4 | 0 | 0 | 114.9 | ||
| 560 | D | 43.8 | Very low | 55.2 | Low | 141 Ų | 141 | 117.1 Ų | 117.1 | 75% | 0.754 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -87.7 | -1.7 | -163.3 | -88 | -24.8 | 0 | 0 | 0 | 117.4 | ||
| 561 | F | 44.9 | Very low | 54.5 | Low | 203 Ų | 203 | 118.6 Ų | 118.6 | 89% | 0.89 | 66% | 0.659 | S | S | * | * | trans | -110 | 31.2 | -167.8 | -87.1 | -83.6 | 0 | 0 | 0 | 116.9 | A563 | F561-A563 PolarHBondContact O-N 3.49Š| ||
| 562 | G | 53.6 | Low | 53.8 | Low | 74 Ų | 74 | 117.6 Ų | 117.6 | 76% | 0.763 | 65% | 0.653 | S | S | * | * | trans | -83.6 | 34.4 | -173 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 563 | A | 48.7 | Very low | 53.4 | Low | 103 Ų | 103 | 117.5 Ų | 117.5 | 85% | 0.851 | 65% | 0.653 | S | S | * | * | trans | -120.5 | 27.4 | -163.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | F561 | F561-A563 PolarHBondContact O-N 3.49Š| ||
| 564 | A | 50.8 | Low | 53.2 | Low | 76 Ų | 76 | 114.3 Ų | 114.3 | 63% | 0.628 | 65% | 0.647 | S | S | * | * | trans | -129.6 | 10.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | G566 | A564-G566 VanDerWaalsContact C-N 3.34Å; A564-G566 PolarHBondContact O-N 3.42Å | ||
| 565 | E | 49.3 | Very low | 53.3 | Low | 133 Ų | 133 | 114.3 Ų | 114.3 | 62% | 0.621 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -69.2 | -20.3 | -167.6 | -65.8 | -158.7 | 93.7 | 0 | 0 | 116.4 | Q567 I568 K572 | E565-Q567 VanDerWaalsContact C-N 3.31Å; E565-Q567 PolarHBondContact O-N 3.46Å; E565-I568 WeakPolarHBondContact O-CB 3.35Å; E565-I568 PolarHBondContact O-N 3.48Å; E565-K572 IonicContact OE1-NZ 2.62Å |
| 566 | G | 57.3 | Low | 53.6 | Low | 73 Ų | 73 | 110.6 Ų | 110.6 | 75% | 0.753 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -64.7 | -24.2 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | A564 | A564-G566 VanDerWaalsContact C-N 3.34Å; A564-G566 PolarHBondContact O-N 3.42Å |
| 567 | Q | 52.5 | Low | 54.5 | Low | 171 Ų | 171 | 109.7 Ų | 109.7 | 80% | 0.799 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -100.5 | 0.9 | 175.5 | -70.2 | -176.9 | -15.7 | 0 | 0 | 113 | E565 | E565-Q567 VanDerWaalsContact C-N 3.31Å; E565-Q567 PolarHBondContact O-N 3.46Å |
| 568 | I | 53.8 | Low | 55.1 | Low | 64 Ų | 64 | 112.4 Ų | 112.4 | 33% | 0.328 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.9 | -20.3 | -175.8 | -59.1 | -175.7 | 0 | 0 | 0 | 111.4 | E565 T570 L571 K572 | E565-I568 WeakPolarHBondContact O-CB 3.35Å; E565-I568 PolarHBondContact O-N 3.48Å; I568-T570 PolarHBondContact O-N 3.22Å; I568-L571 PolarHBondContact O-N 2.95Å; I568-K572 HydrophobicContact CG2-CD 3.98Å; I568-K572 HydrophobicContact CG2-CG 3.99Å; I568-K572 WeakPolarHBondContact O-CB 3.39Å; I568-K572 WeakPolarHBondContact O-CG 3.36Å; I568-K572 PolarHBondContact O-N 3.24Å |
| 569 | S | 53.5 | Low | 56 | Low | 70 Ų | 70 | 107.6 Ų | 107.6 | 49% | 0.49 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.6 | -40.6 | -175.9 | 59.1 | 0 | 0 | 0 | 0 | 114.8 | K572 E573 | S569-K572 WeakPolarHBondContact O-CB 2.93Å; S569-K572 PolarHBondContact O-N 3.16Å; S569-E573 PolarHBondContact O-N 3.11Å |
| 570 | T | 56.9 | Low | 57.5 | Low | 105 Ų | 105 | 106.5 Ų | 106.5 | 64% | 0.644 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -79.8 | -21.2 | 178.4 | 51.8 | 0 | 0 | 0 | 0 | 113 | I568 | I568-T570 PolarHBondContact O-N 3.22Å |
| 571 | L | 56.3 | Low | 59 | Low | 119 Ų | 119 | 106.4 Ų | 106.4 | 62% | 0.623 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -76.1 | -35.4 | 164.3 | -77.6 | 169.5 | 0 | 0 | 0 | 111.3 | I568 A574 Q575 | I568-L571 PolarHBondContact O-N 2.95Å; L571-A574 PolarHBondContact O-N 2.9Å; L571-Q575 WeakPolarHBondContact O-CB 3.41Å; L571-Q575 PolarHBondContact O-N 2.92Å |
| 572 | K | 54.8 | Low | 60.3 | Low | 83 Ų | 83 | 100.5 Ų | 100.5 | 36% | 0.361 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -54.8 | -52.9 | 173.1 | -87.1 | 166.8 | 176.3 | 170.4 | 0 | 110.6 | E565 I568 S569 A574 Q575 D576 | E565-K572 IonicContact OE1-NZ 2.62Å; I568-K572 HydrophobicContact CG2-CD 3.98Å; I568-K572 HydrophobicContact CG2-CG 3.99Å; I568-K572 WeakPolarHBondContact O-CB 3.39Å; I568-K572 WeakPolarHBondContact O-CG 3.36Å; I568-K572 PolarHBondContact O-N 3.24Å; S569-K572 WeakPolarHBondContact O-CB 2.93Å; S569-K572 PolarHBondContact O-N 3.16Å; K572-A574 PolarHBondContact O-N 2.87Å; K572-Q575 CarbonylContact O-C 3.51Å; K572-Q575 WeakPolarHBondContact O-CA 3.27Å; K572-Q575 WeakPolarHBondContact O-CB 2.9Å; K572-Q575 PolarHBondContact O-N 3.35Å; K572-D576 VanDerWaalsContact C-OD2 3.25Å; K572-D576 VanDerWaalsContact O-CB 3.28Å; K572-D576 WeakPolarHBondContact O-CB 3.41Å; K572-D576 PolarHBondContact O-N 2.84Å; K572-D576 VanDerWaalsContact O-OD2 3.08Å |
| 573 | E | 60.5 | Low | 61.4 | Low | 140 Ų | 140 | 99.4 Ų | 99.4 | 65% | 0.654 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -58.7 | -24.4 | -178.9 | -67.2 | -179 | -177.9 | 0 | 0 | 115.6 | S569 | S569-E573 PolarHBondContact O-N 3.11Å |
| 574 | A | 61.6 | Low | 62.7 | Low | 55 Ų | 55 | 96.4 Ų | 96.4 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -88.7 | -38.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L571 K572 D576 L578 | L571-A574 PolarHBondContact O-N 2.9Å; K572-A574 PolarHBondContact O-N 2.87Å; A574-D576 VanDerWaalsContact C-N 3.25Å; A574-D576 PolarHBondContact O-N 3.12Å; A574-L578 PolarHBondContact O-N 3.3Å |
| 575 | Q | 61 | Low | 63.8 | Low | 98 Ų | 98 | 96.4 Ų | 96.4 | 46% | 0.458 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.9 | -29.3 | 171.5 | -177.2 | -176.1 | 10.3 | 0 | 0 | 111.7 | L571 K572 L578 L579 | L571-Q575 WeakPolarHBondContact O-CB 3.41Å; L571-Q575 PolarHBondContact O-N 2.92Å; K572-Q575 CarbonylContact O-C 3.51Å; K572-Q575 WeakPolarHBondContact O-CA 3.27Å; K572-Q575 WeakPolarHBondContact O-CB 2.9Å; K572-Q575 PolarHBondContact O-N 3.35Å; Q575-L578 CarbonylContact O-C 3.55Å; Q575-L578 PolarHBondContact O-N 2.85Å; Q575-L579 HydrophobicContact CG-CD1 3.92Å; Q575-L579 HydrophobicContact CG-CG 4.24Å; Q575-L579 WeakPolarHBondContact O-CA 2.88Å; Q575-L579 WeakPolarHBondContact O-CB 3.37Å; Q575-L579 WeakPolarHBondContact O-CG 3.45Å; Q575-L579 PolarHBondContact O-N 3.27Å |
| 576 | D | 66.5 | Low | 65.3 | Low | 77 Ų | 77 | 94.5 Ų | 94.5 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -72.7 | -38.1 | -176.6 | -71.8 | -28.8 | 0 | 0 | 0 | 110.4 | K572 A574 L579 E580 | K572-D576 VanDerWaalsContact C-OD2 3.25Å; K572-D576 VanDerWaalsContact O-CB 3.28Å; K572-D576 WeakPolarHBondContact O-CB 3.41Å; K572-D576 PolarHBondContact O-N 2.84Å; K572-D576 VanDerWaalsContact O-OD2 3.08Å; A574-D576 VanDerWaalsContact C-N 3.25Å; A574-D576 PolarHBondContact O-N 3.12Å; D576-L579 CarbonylContact O-C 3.55Å; D576-L579 WeakPolarHBondContact O-CB 3.04Å; D576-L579 PolarHBondContact O-N 2.86Å; D576-E580 WeakPolarHBondContact O-CG 3.49Å; D576-E580 PolarHBondContact O-N 3.48Å |
| 577 | K | 71.8 | Confident | 66.1 | Low | 145 Ų | 145 | 92.6 Ų | 92.6 | 63% | 0.63 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -71.6 | -39.2 | 172.4 | -68.4 | 172.8 | -176.5 | 167.2 | 0 | 111.9 | L579 E580 E581 | K577-L579 PolarHBondContact O-N 3.33Å; K577-E580 PolarHBondContact O-N 3.43Å; K577-E581 PolarHBondContact O-N 3.15Å; K577-E581 VanDerWaalsContact O-N 3.09Å |
| 578 | L | 67.1 | Low | 67.4 | Low | 116 Ų | 116 | 92.3 Ų | 92.3 | 61% | 0.607 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68.1 | -25.8 | 169.9 | -72.5 | 170.1 | 0 | 0 | 0 | 111.9 | A574 Q575 L582 | A574-L578 PolarHBondContact O-N 3.3Å; Q575-L578 CarbonylContact O-C 3.55Å; Q575-L578 PolarHBondContact O-N 2.85Å; L578-L582 WeakPolarHBondContact O-CA 3.18Å; L578-L582 WeakPolarHBondContact O-CB 3.22Å; L578-L582 PolarHBondContact O-N 3.37Å |
| 579 | L | 67.9 | Low | 68.5 | Low | 48 Ų | 48 | 94.8 Ų | 94.8 | 25% | 0.251 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -76.8 | -34.8 | 171.3 | -83.7 | 166.1 | 0 | 0 | 0 | 111.1 | Q575 D576 K577 L582 D583 | Q575-L579 HydrophobicContact CG-CD1 3.92Å; Q575-L579 HydrophobicContact CG-CG 4.24Å; Q575-L579 WeakPolarHBondContact O-CA 2.88Å; Q575-L579 WeakPolarHBondContact O-CB 3.37Å; Q575-L579 WeakPolarHBondContact O-CG 3.45Å; Q575-L579 PolarHBondContact O-N 3.27Å; D576-L579 CarbonylContact O-C 3.55Å; D576-L579 WeakPolarHBondContact O-CB 3.04Å; D576-L579 PolarHBondContact O-N 2.86Å; K577-L579 PolarHBondContact O-N 3.33Å; L579-L582 HydrophobicContact CD2-CD2 4.43Å; L579-L582 CarbonylContact O-C 3.51Å; L579-L582 PolarHBondContact O-N 3.38Å; L579-D583 WeakPolarHBondContact O-CA 3.48Å; L579-D583 WeakPolarHBondContact O-CB 3.38Å; L579-D583 PolarHBondContact O-N 2.93Å |
| 580 | E | 74.8 | Confident | 69.6 | Low | 143 Ų | 143 | 97.3 Ų | 97.3 | 67% | 0.668 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.9 | -43.1 | 171.2 | -76.1 | -179.9 | 144.9 | 0 | 0 | 110.7 | D576 K577 A584 | D576-E580 WeakPolarHBondContact O-CG 3.49Å; D576-E580 PolarHBondContact O-N 3.48Å; K577-E580 PolarHBondContact O-N 3.43Å; E580-A584 WeakPolarHBondContact O-CB 3.2Å; E580-A584 PolarHBondContact O-N 3.21Å |
| 581 | E | 74.3 | Confident | 70.7 | Confident | 138 Ų | 138 | 98.2 Ų | 98.2 | 65% | 0.645 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -70.4 | -39.2 | 173.8 | -67.7 | -172.4 | 165.7 | 0 | 0 | 112.7 | K577 T585 | K577-E581 PolarHBondContact O-N 3.15Å; K577-E581 VanDerWaalsContact O-N 3.09Å; E581-T585 WeakPolarHBondContact O-CB 3.34Å; E581-T585 WeakPolarHBondContact O-CG2 3.48Å; E581-T585 PolarHBondContact O-N 2.64Å; E581-T585 PolarHBondContact O-OG1 2.76Å |
| 582 | L | 73.4 | Confident | 71.6 | Confident | 79 Ų | 79 | 96.3 Ų | 96.3 | 41% | 0.414 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71.3 | -32.9 | 177.2 | -174.6 | 62.9 | 0 | 0 | 0 | 112.2 | L578 L579 T585 R586 | L578-L582 WeakPolarHBondContact O-CA 3.18Å; L578-L582 WeakPolarHBondContact O-CB 3.22Å; L578-L582 PolarHBondContact O-N 3.37Å; L579-L582 HydrophobicContact CD2-CD2 4.43Å; L579-L582 CarbonylContact O-C 3.51Å; L579-L582 PolarHBondContact O-N 3.38Å; L582-T585 VanDerWaalsContact CA-OG1 3.3Å; L582-T585 WeakPolarHBondContact CA-OG1 3.4Å; L582-T585 PolarHBondContact O-OG1 2.78Å; L582-R586 VanDerWaalsContact O-CB 3.27Å; L582-R586 WeakPolarHBondContact O-CB 3.35Å; L582-R586 VanDerWaalsContact O-CD 3.26Å; L582-R586 WeakPolarHBondContact O-CD 3.5Å; L582-R586 WeakPolarHBondContact O-CG 3.46Å; L582-R586 PolarHBondContact O-N 3.41Å |
| 583 | D | 75.8 | Confident | 72.6 | Confident | 51 Ų | 51 | 95.1 Ų | 95.1 | 27% | 0.273 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -86.9 | -21.3 | 175.2 | -83.8 | -61.5 | 0 | 0 | 0 | 113.1 | L579 R586 A587 R590 | L579-D583 WeakPolarHBondContact O-CA 3.48Å; L579-D583 WeakPolarHBondContact O-CB 3.38Å; L579-D583 PolarHBondContact O-N 2.93Å; D583-R586 WeakPolarHBondContact OD1-CD 3.33Å; D583-R586 IonicContact OD1-NE 2.69Å; D583-R586 IonicContact OD1-NH1 3.66Å; D583-R586 PolarHBondContact OD1-NH1 3.4Å; D583-R586 IonicContact OD2-NH1 3.2Å; D583-R586 PolarHBondContact OD2-NH1 3.3Å; D583-A587 WeakPolarHBondContact O-CA 3.23Å; D583-A587 WeakPolarHBondContact O-CB 3.44Å; D583-A587 PolarHBondContact O-N 2.98Å; D583-R590 IonicContact OD1-CZ 2.67Å; D583-R590 IonicContact OD1-NH1 3.67Å; D583-R590 PolarHBondContact OD1-NH1 2.87Å; D583-R590 IonicContact OD1-NH2 2.64Å; D583-R590 PolarHBondContact OD1-NH2 3.13Å |
| 584 | A | 77.1 | Confident | 73.6 | Confident | 41 Ų | 41 | 93.6 Ų | 93.6 | 34% | 0.339 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.3 | -39.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E580 A587 R588 | E580-A584 WeakPolarHBondContact O-CB 3.2Å; E580-A584 PolarHBondContact O-N 3.21Å; A584-A587 PolarHBondContact O-N 2.8Å; A584-R588 WeakPolarHBondContact O-CG 3.4Å; A584-R588 PolarHBondContact O-N 2.85Å |
| 585 | T | 74.2 | Confident | 74.7 | Confident | 75 Ų | 75 | 96.1 Ų | 96.1 | 46% | 0.46 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -74.9 | -36.9 | 173.7 | 49.7 | 0 | 0 | 0 | 0 | 112.3 | E581 L582 A587 R588 L589 | E581-T585 WeakPolarHBondContact O-CB 3.34Å; E581-T585 WeakPolarHBondContact O-CG2 3.48Å; E581-T585 PolarHBondContact O-N 2.64Å; E581-T585 PolarHBondContact O-OG1 2.76Å; L582-T585 VanDerWaalsContact CA-OG1 3.3Å; L582-T585 WeakPolarHBondContact CA-OG1 3.4Å; L582-T585 PolarHBondContact O-OG1 2.78Å; T585-A587 VanDerWaalsContact C-N 3.33Å; T585-R588 PolarHBondContact O-N 3.39Å; T585-L589 WeakPolarHBondContact O-CB 3.47Å; T585-L589 PolarHBondContact O-N 3.11Å |
| 586 | R | 79.3 | Confident | 75.5 | Confident | 93 Ų | 93 | 96.6 Ų | 96.6 | 35% | 0.351 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.6 | -29.1 | 167.3 | -67.1 | 155.4 | 172.1 | 167.9 | -1.1 | 112.1 | L582 D583 L589 R590 | L582-R586 VanDerWaalsContact O-CB 3.27Å; L582-R586 WeakPolarHBondContact O-CB 3.35Å; L582-R586 VanDerWaalsContact O-CD 3.26Å; L582-R586 WeakPolarHBondContact O-CD 3.5Å; L582-R586 WeakPolarHBondContact O-CG 3.46Å; L582-R586 PolarHBondContact O-N 3.41Å; D583-R586 WeakPolarHBondContact OD1-CD 3.33Å; D583-R586 IonicContact OD1-NE 2.69Å; D583-R586 IonicContact OD1-NH1 3.66Å; D583-R586 PolarHBondContact OD1-NH1 3.4Å; D583-R586 IonicContact OD2-NH1 3.2Å; D583-R586 PolarHBondContact OD2-NH1 3.3Å; R586-L589 PolarHBondContact O-N 3.46Å; R586-R590 VanDerWaalsContact O-CB 3.26Å; R586-R590 WeakPolarHBondContact O-CB 3.46Å; R586-R590 WeakPolarHBondContact O-CD 3.39Å; R586-R590 WeakPolarHBondContact O-CG 3.5Å; R586-R590 PolarHBondContact O-N 2.84Å |
| 587 | A | 75.4 | Confident | 76.3 | Confident | 34 Ų | 34 | 96.8 Ų | 96.8 | 28% | 0.281 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.1 | -49.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | D583 A584 T585 L589 R590 E591 | D583-A587 WeakPolarHBondContact O-CA 3.23Å; D583-A587 WeakPolarHBondContact O-CB 3.44Å; D583-A587 PolarHBondContact O-N 2.98Å; A584-A587 PolarHBondContact O-N 2.8Å; T585-A587 VanDerWaalsContact C-N 3.33Å; A587-L589 VanDerWaalsContact C-N 3.29Å; A587-L589 PolarHBondContact O-N 2.87Å; A587-R590 CarbonylContact O-C 3.51Å; A587-R590 WeakPolarHBondContact O-CB 3.46Å; A587-R590 PolarHBondContact O-N 2.73Å; A587-R590 VanDerWaalsContact O-N 3.14Å; A587-E591 WeakPolarHBondContact O-CB 3.45Å; A587-E591 VanDerWaalsContact O-CG 3.31Å; A587-E591 WeakPolarHBondContact O-CG 3.34Å; A587-E591 PolarHBondContact O-N 3.16Å |
| 588 | R | 79.6 | Confident | 76.6 | Confident | 165 Ų | 165 | 92.2 Ų | 92.2 | 62% | 0.623 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.6 | -38.3 | 171.6 | -65.5 | 176 | -149.9 | 167.6 | 8.5 | 112.3 | A584 T585 E591 T592 | A584-R588 WeakPolarHBondContact O-CG 3.4Å; A584-R588 PolarHBondContact O-N 2.85Å; T585-R588 PolarHBondContact O-N 3.39Å; R588-E591 PolarHBondContact O-N 2.73Å; R588-T592 WeakPolarHBondContact O-CG2 3.33Å; R588-T592 PolarHBondContact O-N 3.35Å; R588-T592 PolarHBondContact O-OG1 3.03Å |
| 589 | L | 75.9 | Confident | 77.2 | Confident | 115 Ų | 115 | 91 Ų | 91 | 60% | 0.602 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.5 | -43.3 | 175 | -168.6 | 66.4 | 0 | 0 | 0 | 111.4 | T585 R586 A587 T592 S593 | T585-L589 WeakPolarHBondContact O-CB 3.47Å; T585-L589 PolarHBondContact O-N 3.11Å; R586-L589 PolarHBondContact O-N 3.46Å; A587-L589 VanDerWaalsContact C-N 3.29Å; A587-L589 PolarHBondContact O-N 2.87Å; L589-T592 WeakPolarHBondContact CA-OG1 3.45Å; L589-T592 PolarHBondContact O-N 2.83Å; L589-T592 PolarHBondContact O-OG1 2.77Å; L589-S593 WeakPolarHBondContact O-CB 3.47Å; L589-S593 PolarHBondContact O-N 2.66Å |
| 590 | R | 78 | Confident | 77.8 | Confident | 123 Ų | 123 | 94 Ų | 94 | 46% | 0.464 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.9 | -39.1 | 172.7 | -71.9 | 162.7 | -168.6 | 128.8 | -2.9 | 111 | D583 R586 A587 S593 N594 | D583-R590 IonicContact OD1-CZ 2.67Å; D583-R590 IonicContact OD1-NH1 3.67Å; D583-R590 PolarHBondContact OD1-NH1 2.87Å; D583-R590 IonicContact OD1-NH2 2.64Å; D583-R590 PolarHBondContact OD1-NH2 3.13Å; R586-R590 VanDerWaalsContact O-CB 3.26Å; R586-R590 WeakPolarHBondContact O-CB 3.46Å; R586-R590 WeakPolarHBondContact O-CD 3.39Å; R586-R590 WeakPolarHBondContact O-CG 3.5Å; R586-R590 PolarHBondContact O-N 2.84Å; A587-R590 CarbonylContact O-C 3.51Å; A587-R590 WeakPolarHBondContact O-CB 3.46Å; A587-R590 PolarHBondContact O-N 2.73Å; A587-R590 VanDerWaalsContact O-N 3.14Å; R590-S593 PolarHBondContact O-N 2.92Å; R590-N594 WeakPolarHBondContact O-CB 3.35Å; R590-N594 PolarHBondContact O-N 2.78Å; R590-N594 PolarHBondContact O-ND2 2.79Å; R590-N594 PolarHBondContact O-OD1 2.72Å |
| 591 | E | 78.6 | Confident | 78.3 | Confident | 124 Ų | 124 | 88.7 Ų | 88.7 | 58% | 0.579 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.1 | -48.2 | 174.2 | -72.9 | 164.1 | 174.5 | 0 | 0 | 111.1 | A587 R588 S593 N594 L595 | A587-E591 WeakPolarHBondContact O-CB 3.45Å; A587-E591 VanDerWaalsContact O-CG 3.31Å; A587-E591 WeakPolarHBondContact O-CG 3.34Å; A587-E591 PolarHBondContact O-N 3.16Å; R588-E591 PolarHBondContact O-N 2.73Å; E591-S593 VanDerWaalsContact C-N 3.31Å; E591-S593 PolarHBondContact O-N 3.01Å; E591-N594 PolarHBondContact O-N 2.72Å; E591-L595 WeakPolarHBondContact O-CB 3.46Å; E591-L595 PolarHBondContact O-N 2.89Å |
| 592 | T | 75.6 | Confident | 78.7 | Confident | 79 Ų | 79 | 87.7 Ų | 87.7 | 49% | 0.485 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.3 | -33.4 | 174.7 | 57.6 | 0 | 0 | 0 | 0 | 112.7 | R588 L589 L596 | R588-T592 WeakPolarHBondContact O-CG2 3.33Å; R588-T592 PolarHBondContact O-N 3.35Å; R588-T592 PolarHBondContact O-OG1 3.03Å; L589-T592 WeakPolarHBondContact CA-OG1 3.45Å; L589-T592 PolarHBondContact O-N 2.83Å; L589-T592 PolarHBondContact O-OG1 2.77Å; T592-L596 WeakPolarHBondContact O-CB 3.18Å; T592-L596 PolarHBondContact O-N 3.29Å |
| 593 | S | 76.6 | Confident | 79.1 | Confident | 58 Ų | 58 | 88.8 Ų | 88.8 | 41% | 0.406 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -72.8 | -38.2 | 175.8 | -169.9 | 0 | 0 | 0 | 0 | 112 | L589 R590 E591 L596 T597 | L589-S593 WeakPolarHBondContact O-CB 3.47Å; L589-S593 PolarHBondContact O-N 2.66Å; R590-S593 PolarHBondContact O-N 2.92Å; E591-S593 VanDerWaalsContact C-N 3.31Å; E591-S593 PolarHBondContact O-N 3.01Å; S593-L596 WeakPolarHBondContact O-CB 3.44Å; S593-L596 PolarHBondContact O-N 3.26Å; S593-T597 WeakPolarHBondContact O-CB 3.29Å; S593-T597 PolarHBondContact O-N 2.83Å; S593-T597 PolarHBondContact O-OG1 3.05Å |
| 594 | N | 81.2 | Confident | 79.4 | Confident | 108 Ų | 108 | 90.6 Ų | 90.6 | 58% | 0.578 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -68.6 | -37.5 | 173.8 | -71.1 | -10.4 | 0 | 0 | 0 | 110.4 | R590 E591 T597 A598 | R590-N594 WeakPolarHBondContact O-CB 3.35Å; R590-N594 PolarHBondContact O-N 2.78Å; R590-N594 PolarHBondContact O-ND2 2.79Å; R590-N594 PolarHBondContact O-OD1 2.72Å; E591-N594 PolarHBondContact O-N 2.72Å; N594-T597 PolarHBondContact O-N 3.05Å; N594-A598 VanDerWaalsContact O-CB 3.27Å; N594-A598 WeakPolarHBondContact O-CB 3.48Å; N594-A598 PolarHBondContact O-N 3.21Å |
| 595 | L | 84.2 | Confident | 79.7 | Confident | 109 Ų | 109 | 91.7 Ų | 91.7 | 57% | 0.571 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66.4 | -40.4 | 171.3 | -172.6 | 66.6 | 0 | 0 | 0 | 111.3 | E591 A598 L599 | E591-L595 WeakPolarHBondContact O-CB 3.46Å; E591-L595 PolarHBondContact O-N 2.89Å; L595-A598 PolarHBondContact O-N 2.91Å; L595-L599 HydrophobicContact CG-CD1 4.16Å; L595-L599 WeakPolarHBondContact O-CB 3.16Å; L595-L599 VanDerWaalsContact O-CG 3.23Å; L595-L599 WeakPolarHBondContact O-CG 3.11Å; L595-L599 PolarHBondContact O-N 2.77Å |
| 596 | L | 78.4 | Confident | 80 | Confident | 107 Ų | 107 | 92.4 Ų | 92.4 | 56% | 0.56 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.3 | -42.8 | 171.9 | -113 | 163.1 | 0 | 0 | 0 | 111.8 | T592 S593 L599 Q600 | T592-L596 WeakPolarHBondContact O-CB 3.18Å; T592-L596 PolarHBondContact O-N 3.29Å; S593-L596 WeakPolarHBondContact O-CB 3.44Å; S593-L596 PolarHBondContact O-N 3.26Å; L596-L599 PolarHBondContact O-N 2.8Å; L596-Q600 WeakPolarHBondContact O-CB 3.11Å; L596-Q600 WeakPolarHBondContact O-CG 3.36Å; L596-Q600 PolarHBondContact O-N 3.05Å |
| 597 | T | 82.4 | Confident | 80.2 | Confident | 82 Ų | 82 | 93.9 Ų | 93.9 | 50% | 0.503 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 176.9 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | S593 N594 Q600 G601 | S593-T597 WeakPolarHBondContact O-CB 3.29Å; S593-T597 PolarHBondContact O-N 2.83Å; S593-T597 PolarHBondContact O-OG1 3.05Å; N594-T597 PolarHBondContact O-N 3.05Å; T597-Q600 PolarHBondContact O-N 3.07Å; T597-G601 PolarHBondContact O-N 3.02Å |
| 598 | A | 79.3 | Confident | 80.6 | Confident | 48 Ų | 48 | 99 Ų | 99 | 40% | 0.397 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65 | -46.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | N594 L595 Q600 G601 E602 | N594-A598 VanDerWaalsContact O-CB 3.27Å; N594-A598 WeakPolarHBondContact O-CB 3.48Å; N594-A598 PolarHBondContact O-N 3.21Å; L595-A598 PolarHBondContact O-N 2.91Å; A598-Q600 VanDerWaalsContact C-N 3.31Å; A598-Q600 PolarHBondContact O-N 3.18Å; A598-G601 CarbonylContact O-C 3.55Å; A598-G601 WeakPolarHBondContact O-CA 3.22Å; A598-G601 PolarHBondContact O-N 3.49Å; A598-E602 WeakPolarHBondContact O-CG 3.16Å; A598-E602 PolarHBondContact O-N 3.5Å |
| 599 | L | 79.6 | Confident | 80.6 | Confident | 92 Ų | 92 | 95.4 Ų | 95.4 | 48% | 0.482 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65 | -31.7 | 175.2 | -71.2 | 168.2 | 0 | 0 | 0 | 112.5 | L595 L596 L603 | L595-L599 HydrophobicContact CG-CD1 4.16Å; L595-L599 WeakPolarHBondContact O-CB 3.16Å; L595-L599 VanDerWaalsContact O-CG 3.23Å; L595-L599 WeakPolarHBondContact O-CG 3.11Å; L595-L599 PolarHBondContact O-N 2.77Å; L596-L599 PolarHBondContact O-N 2.8Å; L599-L603 VanDerWaalsContact O-CB 3.24Å; L599-L603 WeakPolarHBondContact O-CB 3.19Å; L599-L603 PolarHBondContact O-N 3.35Å |
| 600 | Q | 81.3 | Confident | 80.8 | Confident | 111 Ų | 111 | 95.4 Ų | 95.4 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.5 | -40.5 | 168.8 | -77.4 | -178.5 | -89.6 | 0 | 0 | 111.5 | L596 T597 A598 L603 E604 | L596-Q600 WeakPolarHBondContact O-CB 3.11Å; L596-Q600 WeakPolarHBondContact O-CG 3.36Å; L596-Q600 PolarHBondContact O-N 3.05Å; T597-Q600 PolarHBondContact O-N 3.07Å; A598-Q600 VanDerWaalsContact C-N 3.31Å; A598-Q600 PolarHBondContact O-N 3.18Å; Q600-L603 PolarHBondContact O-N 2.72Å; Q600-E604 WeakPolarHBondContact O-CB 3.19Å; Q600-E604 WeakPolarHBondContact O-CG 3.49Å; Q600-E604 PolarHBondContact O-N 3.48Å |
| 601 | G | 83.7 | Confident | 81.1 | Confident | 30 Ų | 30 | 95.3 Ų | 95.3 | 31% | 0.309 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T597 A598 T605 | T597-G601 PolarHBondContact O-N 3.02Å; A598-G601 CarbonylContact O-C 3.55Å; A598-G601 WeakPolarHBondContact O-CA 3.22Å; A598-G601 PolarHBondContact O-N 3.49Å; G601-T605 WeakPolarHBondContact O-CB 3.01Å; G601-T605 WeakPolarHBondContact O-CG2 3.35Å; G601-T605 PolarHBondContact O-N 2.88Å; G601-T605 PolarHBondContact O-OG1 3.13Å |
| 602 | E | 83.4 | Confident | 81.5 | Confident | 117 Ų | 117 | 91.8 Ų | 91.8 | 55% | 0.547 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67 | -43.7 | 171.4 | -73.3 | 179 | -177.7 | 0 | 0 | 111.1 | A598 E604 T605 Q606 | A598-E602 WeakPolarHBondContact O-CG 3.16Å; A598-E602 PolarHBondContact O-N 3.5Å; E602-E604 PolarHBondContact O-N 2.72Å; E602-T605 WeakPolarHBondContact CA-OG1 3.29Å; E602-T605 PolarHBondContact O-N 3.03Å; E602-T605 PolarHBondContact O-OG1 3Å; E602-T605 VanDerWaalsContact O-OG1 3.12Å; E602-Q606 WeakPolarHBondContact O-CB 3.49Å; E602-Q606 VanDerWaalsContact O-CG 3.28Å; E602-Q606 WeakPolarHBondContact O-CG 3.18Å; E602-Q606 PolarHBondContact O-N 2.98Å |
| 603 | L | 81.1 | Confident | 81.9 | Confident | 102 Ų | 102 | 93.5 Ų | 93.5 | 53% | 0.534 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 174.7 | -176 | 64.3 | 0 | 0 | 0 | 112.2 | L599 Q600 K607 | L599-L603 VanDerWaalsContact O-CB 3.24Å; L599-L603 WeakPolarHBondContact O-CB 3.19Å; L599-L603 PolarHBondContact O-N 3.35Å; Q600-L603 PolarHBondContact O-N 2.72Å; L603-K607 WeakPolarHBondContact O-CB 2.98Å; L603-K607 VanDerWaalsContact O-CG 3.28Å; L603-K607 WeakPolarHBondContact O-CG 3.4Å; L603-K607 PolarHBondContact O-N 2.83Å |
| 604 | E | 82.8 | Confident | 82.4 | Confident | 89 Ų | 89 | 95.4 Ų | 95.4 | 42% | 0.416 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.6 | -40.4 | 174.4 | -80.2 | -168.9 | -168.3 | 0 | 0 | 112.7 | Q600 E602 K607 R608 | Q600-E604 WeakPolarHBondContact O-CB 3.19Å; Q600-E604 WeakPolarHBondContact O-CG 3.49Å; Q600-E604 PolarHBondContact O-N 3.48Å; E602-E604 PolarHBondContact O-N 2.72Å; E604-K607 PolarHBondContact O-N 2.83Å; E604-R608 WeakPolarHBondContact O-CB 3.32Å; E604-R608 VanDerWaalsContact O-CG 3.31Å; E604-R608 WeakPolarHBondContact O-CG 3.43Å; E604-R608 PolarHBondContact O-N 2.74Å; E604-R608 IonicContact OE2-CZ 2.69Å; E604-R608 IonicContact OE2-NH1 3.52Å; E604-R608 PolarHBondContact OE2-NH1 3.29Å; E604-R608 IonicContact OE2-NH2 2.63Å; E604-R608 PolarHBondContact OE2-NH2 3.12Å |
| 605 | T | 83.6 | Confident | 82.8 | Confident | 65 Ų | 65 | 94.6 Ų | 94.6 | 40% | 0.399 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70.8 | -35.1 | 177 | 48 | 0 | 0 | 0 | 0 | 111.5 | G601 E602 R608 Q609 | G601-T605 WeakPolarHBondContact O-CB 3.01Å; G601-T605 WeakPolarHBondContact O-CG2 3.35Å; G601-T605 PolarHBondContact O-N 2.88Å; G601-T605 PolarHBondContact O-OG1 3.13Å; E602-T605 WeakPolarHBondContact CA-OG1 3.29Å; E602-T605 PolarHBondContact O-N 3.03Å; E602-T605 PolarHBondContact O-OG1 3Å; E602-T605 VanDerWaalsContact O-OG1 3.12Å; T605-R608 PolarHBondContact O-N 2.75Å; T605-Q609 WeakPolarHBondContact O-CB 3.17Å; T605-Q609 VanDerWaalsContact O-CG 3.22Å; T605-Q609 WeakPolarHBondContact O-CG 3.16Å; T605-Q609 PolarHBondContact O-N 3.38Å |
| 606 | Q | 79.9 | Confident | 82.9 | Confident | 90 Ų | 90 | 92.4 Ų | 92.4 | 42% | 0.421 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 167.5 | -72.2 | -61.7 | -26.7 | 0 | 0 | 111.6 | E602 R608 Q609 H610 | E602-Q606 WeakPolarHBondContact O-CB 3.49Å; E602-Q606 VanDerWaalsContact O-CG 3.28Å; E602-Q606 WeakPolarHBondContact O-CG 3.18Å; E602-Q606 PolarHBondContact O-N 2.98Å; Q606-R608 PolarHBondContact O-N 3.37Å; Q606-Q609 PolarHBondContact O-N 3.49Å; Q606-H610 WeakPolarHBondContact O-CB 3.37Å; Q606-H610 PolarHBondContact O-CD2 3.07Å; Q606-H610 PolarHBondContact O-N 3.45Å |
| 607 | K | 83.2 | Confident | 82.9 | Confident | 123 Ų | 123 | 90.6 Ų | 90.6 | 54% | 0.535 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -56.8 | -51 | 173.2 | -79.4 | 174.3 | 179.3 | -177.6 | 0 | 111.8 | L603 E604 Q609 H610 E611 | L603-K607 WeakPolarHBondContact O-CB 2.98Å; L603-K607 VanDerWaalsContact O-CG 3.28Å; L603-K607 WeakPolarHBondContact O-CG 3.4Å; L603-K607 PolarHBondContact O-N 2.83Å; E604-K607 PolarHBondContact O-N 2.83Å; K607-Q609 VanDerWaalsContact C-N 3.3Å; K607-Q609 PolarHBondContact O-N 3.07Å; K607-H610 CarbonylContact O-C 3.58Å; K607-H610 PolarHBondContact O-N 2.85Å; K607-H610 VanDerWaalsContact O-N 3.08Å; K607-E611 WeakPolarHBondContact O-CG 3.46Å; K607-E611 PolarHBondContact O-N 2.83Å |
| 608 | R | 83.6 | Confident | 82.9 | Confident | 141 Ų | 141 | 93 Ų | 93 | 53% | 0.532 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.4 | -37 | 177.1 | -70.9 | 172.9 | -175.7 | 116.9 | 12 | 112.3 | E604 T605 Q606 A612 | E604-R608 WeakPolarHBondContact O-CB 3.32Å; E604-R608 VanDerWaalsContact O-CG 3.31Å; E604-R608 WeakPolarHBondContact O-CG 3.43Å; E604-R608 PolarHBondContact O-N 2.74Å; E604-R608 IonicContact OE2-CZ 2.69Å; E604-R608 IonicContact OE2-NH1 3.52Å; E604-R608 PolarHBondContact OE2-NH1 3.29Å; E604-R608 IonicContact OE2-NH2 2.63Å; E604-R608 PolarHBondContact OE2-NH2 3.12Å; T605-R608 PolarHBondContact O-N 2.75Å; Q606-R608 PolarHBondContact O-N 3.37Å; R608-A612 VanDerWaalsContact O-CB 3.24Å; R608-A612 WeakPolarHBondContact O-CB 3.09Å; R608-A612 PolarHBondContact O-N 3.38Å |
| 609 | Q | 80 | Confident | 83.1 | Confident | 91 Ų | 91 | 96 Ų | 96 | 43% | 0.425 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69 | -36.4 | 173.7 | -75.8 | 177 | 30.1 | 0 | 0 | 112.7 | T605 Q606 K607 K613 | T605-Q609 WeakPolarHBondContact O-CB 3.17Å; T605-Q609 VanDerWaalsContact O-CG 3.22Å; T605-Q609 WeakPolarHBondContact O-CG 3.16Å; T605-Q609 PolarHBondContact O-N 3.38Å; Q606-Q609 PolarHBondContact O-N 3.49Å; K607-Q609 VanDerWaalsContact C-N 3.3Å; K607-Q609 PolarHBondContact O-N 3.07Å; Q609-K613 WeakPolarHBondContact O-CB 3.4Å; Q609-K613 WeakPolarHBondContact O-CD 3.27Å; Q609-K613 VanDerWaalsContact O-CG 3.22Å; Q609-K613 WeakPolarHBondContact O-CG 3.26Å; Q609-K613 PolarHBondContact O-N 3.16Å; Q609-K613 VanDerWaalsContact O-N 3.08Å |
| 610 | H | 80.3 | Confident | 83.3 | Confident | 115 Ų | 115 | 96.6 Ų | 96.6 | 53% | 0.532 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.4 | -43.6 | 174 | -81.6 | -70 | 0 | 0 | 0 | 111.6 | Q606 K607 K613 L614 | Q606-H610 WeakPolarHBondContact O-CB 3.37Å; Q606-H610 PolarHBondContact O-CD2 3.07Å; Q606-H610 PolarHBondContact O-N 3.45Å; K607-H610 CarbonylContact O-C 3.58Å; K607-H610 PolarHBondContact O-N 2.85Å; K607-H610 VanDerWaalsContact O-N 3.08Å; H610-K613 PolarHBondContact O-N 2.88Å; H610-L614 VanDerWaalsContact O-CB 3.25Å; H610-L614 WeakPolarHBondContact O-CB 3.47Å; H610-L614 PolarHBondContact O-N 2.8Å |
| 611 | E | 85.4 | Confident | 83.3 | Confident | 121 Ų | 121 | 96.1 Ų | 96.1 | 57% | 0.565 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.2 | -45.8 | 173.4 | -72.6 | 175.4 | 136.5 | 0 | 0 | 111.3 | K607 K613 L614 I615 | K607-E611 WeakPolarHBondContact O-CG 3.46Å; K607-E611 PolarHBondContact O-N 2.83Å; E611-K613 PolarHBondContact O-N 3.07Å; E611-L614 CarbonylContact O-C 3.58Å; E611-L614 PolarHBondContact O-N 2.84Å; E611-L614 VanDerWaalsContact O-N 3.09Å; E611-I615 WeakPolarHBondContact O-CG1 3.47Å; E611-I615 PolarHBondContact O-N 3.07Å |
| 612 | A | 85.1 | Confident | 83.6 | Confident | 49 Ų | 49 | 100.8 Ų | 100.8 | 41% | 0.405 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.3 | -47.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R608 L614 I615 T616 | R608-A612 VanDerWaalsContact O-CB 3.24Å; R608-A612 WeakPolarHBondContact O-CB 3.09Å; R608-A612 PolarHBondContact O-N 3.38Å; A612-L614 VanDerWaalsContact C-N 3.26Å; A612-L614 PolarHBondContact O-N 2.9Å; A612-I615 PolarHBondContact O-N 3.46Å; A612-T616 PolarHBondContact O-N 3.27Å |
| 613 | K | 85.7 | Confident | 83.8 | Confident | 116 Ų | 116 | 101.5 Ų | 101.5 | 50% | 0.504 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.7 | -31.9 | 174.8 | -71.6 | 164.3 | -174.4 | 167.2 | 0 | 112.7 | Q609 H610 E611 T616 T617 | Q609-K613 WeakPolarHBondContact O-CB 3.4Å; Q609-K613 WeakPolarHBondContact O-CD 3.27Å; Q609-K613 VanDerWaalsContact O-CG 3.22Å; Q609-K613 WeakPolarHBondContact O-CG 3.26Å; Q609-K613 PolarHBondContact O-N 3.16Å; Q609-K613 VanDerWaalsContact O-N 3.08Å; H610-K613 PolarHBondContact O-N 2.88Å; E611-K613 PolarHBondContact O-N 3.07Å; K613-T616 PolarHBondContact O-OG1 3.35Å; K613-T617 WeakPolarHBondContact O-CB 3.5Å; K613-T617 WeakPolarHBondContact O-CG2 3.43Å; K613-T617 PolarHBondContact O-N 2.73Å; K613-T617 PolarHBondContact O-OG1 2.9Å |
| 614 | L | 87.1 | Confident | 84 | Confident | 97 Ų | 97 | 101.5 Ų | 101.5 | 51% | 0.508 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -79.6 | -22 | 178.8 | -155.5 | 145.7 | 0 | 0 | 0 | 112 | H610 E611 A612 T617 K618 | H610-L614 VanDerWaalsContact O-CB 3.25Å; H610-L614 WeakPolarHBondContact O-CB 3.47Å; H610-L614 PolarHBondContact O-N 2.8Å; E611-L614 CarbonylContact O-C 3.58Å; E611-L614 PolarHBondContact O-N 2.84Å; E611-L614 VanDerWaalsContact O-N 3.09Å; A612-L614 VanDerWaalsContact C-N 3.26Å; A612-L614 PolarHBondContact O-N 2.9Å; L614-T617 WeakPolarHBondContact CA-OG1 3.46Å; L614-K618 HydrophobicContact CD2-CD 4.17Å; L614-K618 WeakPolarHBondContact O-CB 3.18Å; L614-K618 WeakPolarHBondContact O-CD 3.32Å; L614-K618 WeakPolarHBondContact O-CG 3.35Å; L614-K618 PolarHBondContact O-N 3.19Å |
| 615 | I | 88.3 | Confident | 83.8 | Confident | 91 Ų | 91 | 103.3 Ų | 103.3 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -76.4 | -53.7 | 167.4 | -68.7 | 162.4 | 0 | 0 | 0 | 109.8 | E611 A612 T617 K618 E619 | E611-I615 WeakPolarHBondContact O-CG1 3.47Å; E611-I615 PolarHBondContact O-N 3.07Å; A612-I615 PolarHBondContact O-N 3.46Å; I615-T617 VanDerWaalsContact C-N 3.32Å; I615-T617 PolarHBondContact O-N 3.43Å; I615-K618 CarbonylContact O-C 3.51Å; I615-K618 WeakPolarHBondContact O-CA 3.42Å; I615-K618 WeakPolarHBondContact O-CB 3.49Å; I615-K618 PolarHBondContact O-N 3.27Å; I615-E619 HydrophobicContact CG2-CG 4.34Å; I615-E619 WeakPolarHBondContact O-CG 3.3Å; I615-E619 PolarHBondContact O-N 2.89Å |
| 616 | T | 85.9 | Confident | 83.9 | Confident | 63 Ų | 63 | 103.6 Ų | 103.6 | 39% | 0.387 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.3 | -39.5 | -177.7 | 61.4 | 0 | 0 | 0 | 0 | 112.4 | A612 K613 K618 E619 E620 | A612-T616 PolarHBondContact O-N 3.27Å; K613-T616 PolarHBondContact O-OG1 3.35Å; T616-K618 VanDerWaalsContact C-N 3.35Å; T616-K618 PolarHBondContact O-N 2.83Å; T616-E619 PolarHBondContact O-N 2.9Å; T616-E620 WeakPolarHBondContact O-CB 3.48Å; T616-E620 WeakPolarHBondContact O-CG 3.47Å; T616-E620 PolarHBondContact O-N 2.97Å |
| 617 | T | 79 | Confident | 84.2 | Confident | 69 Ų | 69 | 105.4 Ų | 105.4 | 42% | 0.423 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.7 | -33.1 | 174.4 | 48 | 0 | 0 | 0 | 0 | 113 | K613 L614 I615 E621 | K613-T617 WeakPolarHBondContact O-CB 3.5Å; K613-T617 WeakPolarHBondContact O-CG2 3.43Å; K613-T617 PolarHBondContact O-N 2.73Å; K613-T617 PolarHBondContact O-OG1 2.9Å; L614-T617 WeakPolarHBondContact CA-OG1 3.46Å; I615-T617 VanDerWaalsContact C-N 3.32Å; I615-T617 PolarHBondContact O-N 3.43Å; T617-E621 WeakPolarHBondContact O-CG 3.21Å; T617-E621 PolarHBondContact O-N 2.83Å |
| 618 | K | 82.4 | Confident | 84.1 | Confident | 134 Ų | 134 | 105.6 Ų | 105.6 | 58% | 0.583 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.8 | -36.6 | 170.9 | -79.5 | 174.2 | 178.8 | 173.9 | 0 | 112.3 | L614 I615 T616 K622 | L614-K618 HydrophobicContact CD2-CD 4.17Å; L614-K618 WeakPolarHBondContact O-CB 3.18Å; L614-K618 WeakPolarHBondContact O-CD 3.32Å; L614-K618 WeakPolarHBondContact O-CG 3.35Å; L614-K618 PolarHBondContact O-N 3.19Å; I615-K618 CarbonylContact O-C 3.51Å; I615-K618 WeakPolarHBondContact O-CA 3.42Å; I615-K618 WeakPolarHBondContact O-CB 3.49Å; I615-K618 PolarHBondContact O-N 3.27Å; T616-K618 VanDerWaalsContact C-N 3.35Å; T616-K618 PolarHBondContact O-N 2.83Å; K618-K622 WeakPolarHBondContact O-CB 3.35Å; K618-K622 PolarHBondContact O-N 2.86Å |
| 619 | E | 84.3 | Confident | 84.1 | Confident | 109 Ų | 109 | 101.2 Ų | 101.2 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.4 | -39.6 | 176.1 | -69.2 | 170.9 | 154.1 | 0 | 0 | 111.4 | I615 T616 K622 H623 | I615-E619 HydrophobicContact CG2-CG 4.34Å; I615-E619 WeakPolarHBondContact O-CG 3.3Å; I615-E619 PolarHBondContact O-N 2.89Å; T616-E619 PolarHBondContact O-N 2.9Å; E619-K622 PolarHBondContact O-N 3.14Å; E619-H623 WeakPolarHBondContact O-CB 3.35Å; E619-H623 PolarHBondContact O-N 3.42Å |
| 620 | E | 83.4 | Confident | 84.4 | Confident | 105 Ų | 105 | 101.6 Ų | 101.6 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -47.2 | 172.5 | -75.1 | 172.4 | -156.8 | 0 | 0 | 112.6 | T616 H623 K624 | T616-E620 WeakPolarHBondContact O-CB 3.48Å; T616-E620 WeakPolarHBondContact O-CG 3.47Å; T616-E620 PolarHBondContact O-N 2.97Å; E620-H623 PolarHBondContact O-N 2.67Å; E620-K624 WeakPolarHBondContact O-CG 3.5Å; E620-K624 PolarHBondContact O-N 3.34Å |
| 621 | E | 80.8 | Confident | 84.6 | Confident | 102 Ų | 102 | 99.8 Ų | 99.8 | 48% | 0.477 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 175 | -69.7 | -51.4 | 134.9 | 0 | 0 | 111.8 | T617 H623 K624 M625 | T617-E621 WeakPolarHBondContact O-CG 3.21Å; T617-E621 PolarHBondContact O-N 2.83Å; E621-H623 PolarHBondContact O-N 3.46Å; E621-K624 PolarHBondContact O-N 2.8Å; E621-K624 IonicContact OE1-NZ 3.36Å; E621-K624 PolarHBondContact OE1-NZ 3.34Å; E621-M625 WeakPolarHBondContact O-CG 3.46Å; E621-M625 PolarHBondContact O-N 2.77Å |
| 622 | K | 90.1 | Very high | 84.5 | Confident | 127 Ų | 127 | 98.6 Ų | 98.6 | 55% | 0.552 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.3 | -48.3 | 172.7 | -169.8 | -159.5 | 167.9 | -165.8 | 0 | 110.6 | K618 E619 K624 M625 D626 | K618-K622 WeakPolarHBondContact O-CB 3.35Å; K618-K622 PolarHBondContact O-N 2.86Å; E619-K622 PolarHBondContact O-N 3.14Å; K622-K624 VanDerWaalsContact C-N 3.28Å; K622-K624 PolarHBondContact O-N 2.81Å; K622-M625 CarbonylContact O-C 3.55Å; K622-M625 WeakPolarHBondContact O-CB 3.36Å; K622-M625 PolarHBondContact O-N 3.4Å; K622-M625 VanDerWaalsContact O-N 3.08Å; K622-D626 WeakPolarHBondContact CE-OD2 3.47Å; K622-D626 IonicContact NZ-OD2 2.8Å; K622-D626 WeakPolarHBondContact O-CB 3.4Å; K622-D626 PolarHBondContact O-N 2.82Å |
| 623 | H | 87.2 | Confident | 84.3 | Confident | 133 Ų | 133 | 102.1 Ų | 102.1 | 62% | 0.616 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.1 | -29.2 | 177.5 | -81.2 | -17.8 | 0 | 0 | 0 | 113.8 | E619 E620 E621 D626 K627 | E619-H623 WeakPolarHBondContact O-CB 3.35Å; E619-H623 PolarHBondContact O-N 3.42Å; E620-H623 PolarHBondContact O-N 2.67Å; E621-H623 PolarHBondContact O-N 3.46Å; H623-D626 IonicContact ND1-OD2 3.43Å; H623-D626 PolarHBondContact ND1-OD2 2.99Å; H623-K627 WeakPolarHBondContact O-CB 3.02Å; H623-K627 PolarHBondContact O-N 3.05Å |
| 624 | K | 85.9 | Confident | 84.2 | Confident | 102 Ų | 102 | 101.8 Ų | 101.8 | 44% | 0.443 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67 | -43.3 | 169.8 | -68.4 | 165.2 | -158.6 | 170.3 | 0 | 111.4 | E620 E621 K622 K627 M628 | E620-K624 WeakPolarHBondContact O-CG 3.5Å; E620-K624 PolarHBondContact O-N 3.34Å; E621-K624 PolarHBondContact O-N 2.8Å; E621-K624 IonicContact OE1-NZ 3.36Å; E621-K624 PolarHBondContact OE1-NZ 3.34Å; K622-K624 VanDerWaalsContact C-N 3.28Å; K622-K624 PolarHBondContact O-N 2.81Å; K624-K627 PolarHBondContact O-N 3.22Å; K624-M628 WeakPolarHBondContact O-CB 3.5Å; K624-M628 PolarHBondContact O-N 2.64Å |
| 625 | M | 79.4 | Confident | 84.2 | Confident | 127 Ų | 127 | 102.7 Ų | 102.7 | 63% | 0.626 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.7 | -47.7 | 176.6 | -68.7 | -62.2 | -64.6 | 0 | 0 | 112.2 | E621 K622 K627 M628 A629 | E621-M625 WeakPolarHBondContact O-CG 3.46Å; E621-M625 PolarHBondContact O-N 2.77Å; K622-M625 CarbonylContact O-C 3.55Å; K622-M625 WeakPolarHBondContact O-CB 3.36Å; K622-M625 PolarHBondContact O-N 3.4Å; K622-M625 VanDerWaalsContact O-N 3.08Å; M625-K627 VanDerWaalsContact C-N 3.26Å; M625-K627 PolarHBondContact O-N 3.13Å; M625-M628 PolarHBondContact O-N 2.97Å; M625-A629 WeakPolarHBondContact O-CB 3.5Å; M625-A629 PolarHBondContact O-N 3.37Å |
| 626 | D | 84.6 | Confident | 83.9 | Confident | 70 Ų | 70 | 107.5 Ų | 107.5 | 37% | 0.374 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -55.7 | -43.3 | 174.7 | -64.3 | -23.7 | 0 | 0 | 0 | 110.1 | K622 H623 A629 L630 | K622-D626 WeakPolarHBondContact CE-OD2 3.47Å; K622-D626 IonicContact NZ-OD2 2.8Å; K622-D626 WeakPolarHBondContact O-CB 3.4Å; K622-D626 PolarHBondContact O-N 2.82Å; H623-D626 IonicContact ND1-OD2 3.43Å; H623-D626 PolarHBondContact ND1-OD2 2.99Å; D626-A629 PolarHBondContact O-N 2.65Å; D626-L630 PolarHBondContact O-N 2.78Å |
| 627 | K | 86.7 | Confident | 83.7 | Confident | 129 Ų | 129 | 108.5 Ų | 108.5 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.7 | -42 | 177.1 | -171.1 | -174.2 | 179.3 | -147.3 | 0 | 112.8 | H623 K624 M625 A629 L630 E631 | H623-K627 WeakPolarHBondContact O-CB 3.02Å; H623-K627 PolarHBondContact O-N 3.05Å; K624-K627 PolarHBondContact O-N 3.22Å; M625-K627 VanDerWaalsContact C-N 3.26Å; M625-K627 PolarHBondContact O-N 3.13Å; K627-A629 VanDerWaalsContact C-N 3.33Å; K627-L630 PolarHBondContact O-N 2.72Å; K627-E631 WeakPolarHBondContact CE-OE1 3.11Å; K627-E631 IonicContact NZ-OE1 3.86Å; K627-E631 PolarHBondContact NZ-OE1 2.81Å; K627-E631 WeakPolarHBondContact O-CB 3.44Å; K627-E631 WeakPolarHBondContact O-CG 3.13Å; K627-E631 PolarHBondContact O-N 2.75Å |
| 628 | M | 81.4 | Confident | 83.8 | Confident | 127 Ų | 127 | 108.4 Ų | 108.4 | 63% | 0.626 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64 | -38 | 175.2 | -85.3 | -168.6 | 164.4 | 0 | 0 | 112 | K624 M625 E631 L632 | K624-M628 WeakPolarHBondContact O-CB 3.5Å; K624-M628 PolarHBondContact O-N 2.64Å; M625-M628 PolarHBondContact O-N 2.97Å; M628-E631 PolarHBondContact O-N 2.74Å; M628-L632 WeakPolarHBondContact O-CB 3.49Å; M628-L632 VanDerWaalsContact O-CG 3.3Å; M628-L632 WeakPolarHBondContact O-CG 3.3Å; M628-L632 PolarHBondContact O-N 3.22Å |
| 629 | A | 83.1 | Confident | 83.8 | Confident | 48 Ų | 48 | 105.3 Ų | 105.3 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -50.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | M625 D626 K627 E631 L632 E633 | M625-A629 WeakPolarHBondContact O-CB 3.5Å; M625-A629 PolarHBondContact O-N 3.37Å; D626-A629 PolarHBondContact O-N 2.65Å; K627-A629 VanDerWaalsContact C-N 3.33Å; A629-E631 VanDerWaalsContact C-N 3.35Å; A629-E631 PolarHBondContact O-N 3.49Å; A629-L632 WeakPolarHBondContact O-CB 3.47Å; A629-L632 PolarHBondContact O-N 2.86Å; A629-E633 WeakPolarHBondContact O-CG 3.38Å; A629-E633 PolarHBondContact O-N 2.98Å |
| 630 | L | 86 | Confident | 83.5 | Confident | 100 Ų | 100 | 105.7 Ų | 105.7 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 177.8 | -153.5 | 85.6 | 0 | 0 | 0 | 112.6 | D626 K627 L632 E633 L634 | D626-L630 PolarHBondContact O-N 2.78Å; K627-L630 PolarHBondContact O-N 2.72Å; L630-L632 VanDerWaalsContact C-N 3.28Å; L630-L632 PolarHBondContact O-N 3.42Å; L630-E633 PolarHBondContact O-N 2.84Å; L630-L634 HydrophobicContact CD2-CD1 4.47Å; L630-L634 HydrophobicContact CG-CD1 4.43Å; L630-L634 WeakPolarHBondContact O-CB 3.11Å; L630-L634 WeakPolarHBondContact O-CD1 3.33Å; L630-L634 VanDerWaalsContact O-CG 3.25Å; L630-L634 WeakPolarHBondContact O-CG 3.11Å; L630-L634 PolarHBondContact O-N 3.44Å |
| 631 | E | 84.4 | Confident | 83.7 | Confident | 77 Ų | 77 | 107.5 Ų | 107.5 | 36% | 0.36 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.4 | -25.1 | 174.9 | -79.6 | -171 | -149.3 | 0 | 0 | 113.3 | K627 M628 A629 K635 | K627-E631 WeakPolarHBondContact CE-OE1 3.11Å; K627-E631 IonicContact NZ-OE1 3.86Å; K627-E631 PolarHBondContact NZ-OE1 2.81Å; K627-E631 WeakPolarHBondContact O-CB 3.44Å; K627-E631 WeakPolarHBondContact O-CG 3.13Å; K627-E631 PolarHBondContact O-N 2.75Å; M628-E631 PolarHBondContact O-N 2.74Å; A629-E631 VanDerWaalsContact C-N 3.35Å; A629-E631 PolarHBondContact O-N 3.49Å; E631-K635 WeakPolarHBondContact O-CD 3.47Å; E631-K635 VanDerWaalsContact O-CE 3.29Å; E631-K635 WeakPolarHBondContact O-CE 3.29Å; E631-K635 WeakPolarHBondContact O-CG 3.44Å; E631-K635 PolarHBondContact O-N 3.29Å; E631-K635 PolarHBondContact O-NZ 2.85Å; E631-K635 IonicContact OE2-NZ 3.59Å |
| 632 | L | 83 | Confident | 83.8 | Confident | 96 Ų | 96 | 106.9 Ų | 106.9 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -80.2 | -46.9 | 172 | -74.4 | 167.3 | 0 | 0 | 0 | 110.7 | M628 A629 L630 L634 K635 W636 | M628-L632 WeakPolarHBondContact O-CB 3.49Å; M628-L632 VanDerWaalsContact O-CG 3.3Å; M628-L632 WeakPolarHBondContact O-CG 3.3Å; M628-L632 PolarHBondContact O-N 3.22Å; A629-L632 WeakPolarHBondContact O-CB 3.47Å; A629-L632 PolarHBondContact O-N 2.86Å; L630-L632 VanDerWaalsContact C-N 3.28Å; L630-L632 PolarHBondContact O-N 3.42Å; L632-L634 VanDerWaalsContact C-N 3.3Å; L632-L634 PolarHBondContact O-N 3.31Å; L632-K635 PolarHBondContact O-N 2.92Å; L632-W636 VanDerWaalsContact O-CD1 3.31Å; L632-W636 PolarHBondContact O-N 2.87Å |
| 633 | E | 81.2 | Confident | 83.5 | Confident | 123 Ų | 123 | 104.9 Ų | 104.9 | 58% | 0.575 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -56.5 | -42.1 | 175.2 | -72.6 | -178.5 | 161.2 | 0 | 0 | 111.9 | A629 L630 K635 W636 T637 | A629-E633 WeakPolarHBondContact O-CG 3.38Å; A629-E633 PolarHBondContact O-N 2.98Å; L630-E633 PolarHBondContact O-N 2.84Å; E633-K635 VanDerWaalsContact C-N 3.35Å; E633-K635 PolarHBondContact O-N 3.25Å; E633-W636 PolarHBondContact O-N 2.9Å; E633-T637 WeakPolarHBondContact O-CB 3.47Å; E633-T637 WeakPolarHBondContact O-CG2 2.93Å; E633-T637 PolarHBondContact O-N 3.11Å; E633-T637 PolarHBondContact O-OG1 2.77Å |
| 634 | L | 84.6 | Confident | 83.2 | Confident | 108 Ų | 108 | 100.9 Ų | 100.9 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.3 | -35.4 | 174.6 | -74.4 | 167.5 | 0 | 0 | 0 | 113 | L630 L632 T637 E638 | L630-L634 HydrophobicContact CD2-CD1 4.47Å; L630-L634 HydrophobicContact CG-CD1 4.43Å; L630-L634 WeakPolarHBondContact O-CB 3.11Å; L630-L634 WeakPolarHBondContact O-CD1 3.33Å; L630-L634 VanDerWaalsContact O-CG 3.25Å; L630-L634 WeakPolarHBondContact O-CG 3.11Å; L630-L634 PolarHBondContact O-N 3.44Å; L632-L634 VanDerWaalsContact C-N 3.3Å; L632-L634 PolarHBondContact O-N 3.31Å; L634-T637 WeakPolarHBondContact CA-OG1 3.12Å; L634-T637 PolarHBondContact O-OG1 2.79Å; L634-E638 VanDerWaalsContact O-CB 3.28Å; L634-E638 WeakPolarHBondContact O-CB 3.29Å; L634-E638 PolarHBondContact O-N 3.02Å; L634-E638 VanDerWaalsContact O-N 3.12Å |
| 635 | K | 86.7 | Confident | 83.1 | Confident | 117 Ų | 117 | 100.9 Ų | 100.9 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.5 | -43.2 | 175.7 | -72.4 | 163.1 | -164.2 | 148.3 | 0 | 111.4 | E631 L632 E633 E638 T639 | E631-K635 WeakPolarHBondContact O-CD 3.47Å; E631-K635 VanDerWaalsContact O-CE 3.29Å; E631-K635 WeakPolarHBondContact O-CE 3.29Å; E631-K635 WeakPolarHBondContact O-CG 3.44Å; E631-K635 PolarHBondContact O-N 3.29Å; E631-K635 PolarHBondContact O-NZ 2.85Å; E631-K635 IonicContact OE2-NZ 3.59Å; L632-K635 PolarHBondContact O-N 2.92Å; E633-K635 VanDerWaalsContact C-N 3.35Å; E633-K635 PolarHBondContact O-N 3.25Å; K635-E638 PolarHBondContact O-N 3.47Å; K635-T639 WeakPolarHBondContact O-CG2 3.37Å; K635-T639 PolarHBondContact O-N 2.82Å; K635-T639 PolarHBondContact O-OG1 3.46Å |
| 636 | W | 81.4 | Confident | 83.3 | Confident | 191 Ų | 191 | 99.2 Ų | 99.2 | 72% | 0.723 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.8 | -39.9 | 177.7 | -85.4 | 91 | 0 | 0 | 0 | 112.7 | L632 E633 T639 L640 | L632-W636 VanDerWaalsContact O-CD1 3.31Å; L632-W636 PolarHBondContact O-N 2.87Å; E633-W636 PolarHBondContact O-N 2.9Å; W636-T639 WeakPolarHBondContact CA-OG1 3.31Å; W636-T639 PolarHBondContact O-OG1 2.71Å; W636-T639 VanDerWaalsContact O-OG1 3.12Å; W636-L640 WeakPolarHBondContact O-CB 3.49Å; W636-L640 PolarHBondContact O-N 3.08Å |
| 637 | T | 81.4 | Confident | 83.2 | Confident | 85 Ų | 85 | 101 Ų | 101 | 52% | 0.521 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.3 | -38 | 175.2 | 49 | 0 | 0 | 0 | 0 | 111.9 | E633 L634 R641 | E633-T637 WeakPolarHBondContact O-CB 3.47Å; E633-T637 WeakPolarHBondContact O-CG2 2.93Å; E633-T637 PolarHBondContact O-N 3.11Å; E633-T637 PolarHBondContact O-OG1 2.77Å; L634-T637 WeakPolarHBondContact CA-OG1 3.12Å; L634-T637 PolarHBondContact O-OG1 2.79Å; T637-R641 WeakPolarHBondContact O-CB 3.37Å; T637-R641 PolarHBondContact O-N 3Å |
| 638 | E | 82 | Confident | 83.1 | Confident | 67 Ų | 67 | 103.4 Ų | 103.4 | 31% | 0.313 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70 | -40.8 | 175.4 | 179.7 | 56.5 | -160.8 | 0 | 0 | 112.5 | L634 K635 R641 Q642 | L634-E638 VanDerWaalsContact O-CB 3.28Å; L634-E638 WeakPolarHBondContact O-CB 3.29Å; L634-E638 PolarHBondContact O-N 3.02Å; L634-E638 VanDerWaalsContact O-N 3.12Å; K635-E638 PolarHBondContact O-N 3.47Å; E638-R641 VanDerWaalsContact CD-NH2 3.29Å; E638-R641 PolarHBondContact O-N 2.86Å; E638-R641 IonicContact OE1-CZ 3.37Å; E638-R641 IonicContact OE1-NE 3.96Å; E638-R641 IonicContact OE1-NH2 3.1Å; E638-R641 PolarHBondContact OE1-NH2 3.28Å; E638-R641 IonicContact OE2-CZ 3.35Å; E638-R641 VanDerWaalsContact OE2-CZ 3.29Å; E638-R641 IonicContact OE2-NE 2.59Å; E638-R641 PolarHBondContact OE2-NE 3.26Å; E638-R641 IonicContact OE2-NH2 3.83Å; E638-R641 PolarHBondContact OE2-NH2 3.29Å; E638-Q642 VanDerWaalsContact O-CG 3.31Å; E638-Q642 WeakPolarHBondContact O-CG 3.42Å; E638-Q642 PolarHBondContact O-N 3.32Å; E638-Q642 PolarHBondContact OE1-NE2 3.4Å |
| 639 | T | 81.4 | Confident | 83.2 | Confident | 69 Ų | 69 | 100.1 Ų | 100.1 | 42% | 0.423 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 173.2 | 50.1 | 0 | 0 | 0 | 0 | 111.5 | K635 W636 R641 Q642 E643 | K635-T639 WeakPolarHBondContact O-CG2 3.37Å; K635-T639 PolarHBondContact O-N 2.82Å; K635-T639 PolarHBondContact O-OG1 3.46Å; W636-T639 WeakPolarHBondContact CA-OG1 3.31Å; W636-T639 PolarHBondContact O-OG1 2.71Å; W636-T639 VanDerWaalsContact O-OG1 3.12Å; T639-R641 VanDerWaalsContact C-N 3.27Å; T639-R641 PolarHBondContact O-N 2.98Å; T639-Q642 PolarHBondContact O-N 2.99Å; T639-E643 PolarHBondContact O-N 2.86Å |
| 640 | L | 79.7 | Confident | 83.2 | Confident | 117 Ų | 117 | 102.2 Ų | 102.2 | 61% | 0.613 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.9 | -37.2 | 174.6 | -167.1 | 73.1 | 0 | 0 | 0 | 111.6 | W636 Q642 C644 | W636-L640 WeakPolarHBondContact O-CB 3.49Å; W636-L640 PolarHBondContact O-N 3.08Å; L640-Q642 VanDerWaalsContact C-N 3.35Å; L640-C644 WeakPolarHBondContact O-CB 3.2Å; L640-C644 PolarHBondContact O-N 2.83Å; L640-C644 PolarHBondContact O-SG 2.82Å |
| 641 | R | 87 | Confident | 83 | Confident | 143 Ų | 143 | 102.8 Ų | 102.8 | 54% | 0.54 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.9 | -34.2 | 174.2 | -166.6 | -174.7 | 73.1 | 85.8 | 6 | 112.2 | T637 E638 T639 K645 | T637-R641 WeakPolarHBondContact O-CB 3.37Å; T637-R641 PolarHBondContact O-N 3Å; E638-R641 VanDerWaalsContact CD-NH2 3.29Å; E638-R641 PolarHBondContact O-N 2.86Å; E638-R641 IonicContact OE1-CZ 3.37Å; E638-R641 IonicContact OE1-NE 3.96Å; E638-R641 IonicContact OE1-NH2 3.1Å; E638-R641 PolarHBondContact OE1-NH2 3.28Å; E638-R641 IonicContact OE2-CZ 3.35Å; E638-R641 VanDerWaalsContact OE2-CZ 3.29Å; E638-R641 IonicContact OE2-NE 2.59Å; E638-R641 PolarHBondContact OE2-NE 3.26Å; E638-R641 IonicContact OE2-NH2 3.83Å; E638-R641 PolarHBondContact OE2-NH2 3.29Å; T639-R641 VanDerWaalsContact C-N 3.27Å; T639-R641 PolarHBondContact O-N 2.98Å; R641-K645 WeakPolarHBondContact O-CB 3.5Å; R641-K645 PolarHBondContact O-N 2.76Å |
| 642 | Q | 81.9 | Confident | 83 | Confident | 89 Ų | 89 | 105.4 Ų | 105.4 | 42% | 0.416 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -73.3 | -44.1 | 176.2 | -73 | 175.9 | 18.9 | 0 | 0 | 112.2 | E638 T639 L640 K645 K646 | E638-Q642 VanDerWaalsContact O-CG 3.31Å; E638-Q642 WeakPolarHBondContact O-CG 3.42Å; E638-Q642 PolarHBondContact O-N 3.32Å; E638-Q642 PolarHBondContact OE1-NE2 3.4Å; T639-Q642 PolarHBondContact O-N 2.99Å; L640-Q642 VanDerWaalsContact C-N 3.35Å; Q642-K645 WeakPolarHBondContact O-CA 3.19Å; Q642-K645 WeakPolarHBondContact O-CB 3.12Å; Q642-K645 PolarHBondContact O-N 2.87Å; Q642-K646 PolarHBondContact O-N 3.5Å |
| 643 | E | 85.1 | Confident | 83 | Confident | 85 Ų | 85 | 106.7 Ų | 106.7 | 40% | 0.397 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 172.8 | -58.1 | -47.5 | 126 | 0 | 0 | 111.2 | T639 K645 K646 L647 | T639-E643 PolarHBondContact O-N 2.86Å; E643-K645 PolarHBondContact O-N 3.32Å; E643-K645 VanDerWaalsContact O-N 3.16Å; E643-K646 PolarHBondContact O-N 2.83Å; E643-K646 IonicContact OE1-NZ 2.82Å; E643-K646 PolarHBondContact OE1-NZ 2.92Å; E643-K646 WeakPolarHBondContact OE2-CD 3.2Å; E643-K646 IonicContact OE2-NZ 4Å; E643-K646 PolarHBondContact OE2-NZ 2.89Å; E643-L647 WeakPolarHBondContact O-CG 3.44Å; E643-L647 PolarHBondContact O-N 3.25Å |
| 644 | C | 80.3 | Confident | 82.9 | Confident | 49 Ų | 49 | 106.5 Ų | 106.5 | 33% | 0.331 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.8 | -19.6 | 170.1 | -71.6 | 0 | 0 | 0 | 0 | 113.7 | L640 R648 | L640-C644 WeakPolarHBondContact O-CB 3.2Å; L640-C644 PolarHBondContact O-N 2.83Å; L640-C644 PolarHBondContact O-SG 2.82Å; C644-R648 WeakPolarHBondContact O-CD 3.42Å; C644-R648 WeakPolarHBondContact O-CG 3.22Å; C644-R648 PolarHBondContact O-NE 3.43Å |
| 645 | K | 82.9 | Confident | 82.9 | Confident | 101 Ų | 101 | 107.2 Ų | 107.2 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -83.4 | -46.3 | 174.4 | -174.3 | -177 | 173.1 | -73.9 | 0 | 110.4 | R641 Q642 E643 R648 E649 | R641-K645 WeakPolarHBondContact O-CB 3.5Å; R641-K645 PolarHBondContact O-N 2.76Å; Q642-K645 WeakPolarHBondContact O-CA 3.19Å; Q642-K645 WeakPolarHBondContact O-CB 3.12Å; Q642-K645 PolarHBondContact O-N 2.87Å; E643-K645 PolarHBondContact O-N 3.32Å; E643-K645 VanDerWaalsContact O-N 3.16Å; K645-R648 CarbonylContact O-C 3.56Å; K645-R648 PolarHBondContact O-N 2.99Å; K645-E649 WeakPolarHBondContact CE-OE1 3.42Å; K645-E649 IonicContact NZ-OE1 2.72Å; K645-E649 PolarHBondContact NZ-OE1 2.89Å; K645-E649 IonicContact NZ-OE2 2.65Å; K645-E649 PolarHBondContact NZ-OE2 3.47Å; K645-E649 WeakPolarHBondContact O-CG 3.25Å; K645-E649 PolarHBondContact O-N 2.69Å |
| 646 | K | 84.9 | Confident | 82.6 | Confident | 92 Ų | 92 | 105.8 Ų | 105.8 | 40% | 0.4 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -55.5 | -53.3 | 173.8 | -68.9 | 176.3 | -172.9 | 161 | 0 | 111.8 | Q642 E643 R648 E649 E650 | Q642-K646 PolarHBondContact O-N 3.5Å; E643-K646 PolarHBondContact O-N 2.83Å; E643-K646 IonicContact OE1-NZ 2.82Å; E643-K646 PolarHBondContact OE1-NZ 2.92Å; E643-K646 WeakPolarHBondContact OE2-CD 3.2Å; E643-K646 IonicContact OE2-NZ 4Å; E643-K646 PolarHBondContact OE2-NZ 2.89Å; K646-R648 PolarHBondContact O-N 3.48Å; K646-R648 VanDerWaalsContact O-N 3.07Å; K646-E649 CarbonylContact O-C 3.51Å; K646-E649 WeakPolarHBondContact O-CA 3.34Å; K646-E649 WeakPolarHBondContact O-CB 3.43Å; K646-E649 PolarHBondContact O-N 3.32Å; K646-E650 WeakPolarHBondContact O-CB 3.39Å; K646-E650 WeakPolarHBondContact O-CG 3.11Å; K646-E650 PolarHBondContact O-N 2.95Å |
| 647 | L | 82.3 | Confident | 82.6 | Confident | 109 Ų | 109 | 103.3 Ų | 103.3 | 57% | 0.571 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59 | -27 | 179.4 | -69.8 | 166.1 | 0 | 0 | 0 | 113 | E643 E650 L651 | E643-L647 WeakPolarHBondContact O-CG 3.44Å; E643-L647 PolarHBondContact O-N 3.25Å; L647-E650 WeakPolarHBondContact CA-OE2 3.13Å; L647-L651 WeakPolarHBondContact O-CB 2.97Å; L647-L651 PolarHBondContact O-N 2.93Å |
| 648 | R | 84.3 | Confident | 82.5 | Confident | 178 Ų | 178 | 106.1 Ų | 106.1 | 67% | 0.672 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -86.2 | -13.1 | 174.1 | -71.7 | 175.1 | -171.2 | 168.6 | 3.1 | 113.8 | C644 K645 K646 R652 | C644-R648 WeakPolarHBondContact O-CD 3.42Å; C644-R648 WeakPolarHBondContact O-CG 3.22Å; C644-R648 PolarHBondContact O-NE 3.43Å; K645-R648 CarbonylContact O-C 3.56Å; K645-R648 PolarHBondContact O-N 2.99Å; K646-R648 PolarHBondContact O-N 3.48Å; K646-R648 VanDerWaalsContact O-N 3.07Å; R648-R652 WeakPolarHBondContact O-CB 3.19Å; R648-R652 PolarHBondContact O-NH2 2.61Å |
| 649 | E | 82.7 | Confident | 82.7 | Confident | 59 Ų | 59 | 107.2 Ų | 107.2 | 28% | 0.276 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -92.4 | -49.7 | 174.5 | -74.6 | 173.9 | 151.8 | 0 | 0 | 109.1 | K645 K646 L651 R652 E653 | K645-E649 WeakPolarHBondContact CE-OE1 3.42Å; K645-E649 IonicContact NZ-OE1 2.72Å; K645-E649 PolarHBondContact NZ-OE1 2.89Å; K645-E649 IonicContact NZ-OE2 2.65Å; K645-E649 PolarHBondContact NZ-OE2 3.47Å; K645-E649 WeakPolarHBondContact O-CG 3.25Å; K645-E649 PolarHBondContact O-N 2.69Å; K646-E649 CarbonylContact O-C 3.51Å; K646-E649 WeakPolarHBondContact O-CA 3.34Å; K646-E649 WeakPolarHBondContact O-CB 3.43Å; K646-E649 PolarHBondContact O-N 3.32Å; E649-L651 PolarHBondContact O-N 3.34Å; E649-R652 CarbonylContact O-C 3.6Å; E649-R652 WeakPolarHBondContact O-CA 3.32Å; E649-R652 WeakPolarHBondContact O-CB 3.41Å; E649-R652 PolarHBondContact O-N 3.15Å; E649-E653 WeakPolarHBondContact O-CG 3.48Å; E649-E653 PolarHBondContact O-N 2.84Å |
| 650 | E | 83.3 | Confident | 82.8 | Confident | 91 Ų | 91 | 107.7 Ų | 107.7 | 43% | 0.425 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -50.6 | -56.8 | 169.3 | -68.3 | 157 | -178.7 | 0 | 0 | 111.5 | K646 L647 R652 E653 E654 | K646-E650 WeakPolarHBondContact O-CB 3.39Å; K646-E650 WeakPolarHBondContact O-CG 3.11Å; K646-E650 PolarHBondContact O-N 2.95Å; L647-E650 WeakPolarHBondContact CA-OE2 3.13Å; E650-R652 PolarHBondContact O-N 3.43Å; E650-E653 PolarHBondContact O-N 2.82Å; E650-E654 WeakPolarHBondContact O-CG 3.24Å; E650-E654 PolarHBondContact O-N 3.05Å |
| 651 | L | 81.6 | Confident | 83.1 | Confident | 113 Ų | 113 | 104.4 Ų | 104.4 | 59% | 0.592 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.8 | -19.8 | 177.9 | -174.1 | 65.8 | 0 | 0 | 0 | 113.8 | L647 E649 H655 | L647-L651 WeakPolarHBondContact O-CB 2.97Å; L647-L651 PolarHBondContact O-N 2.93Å; E649-L651 PolarHBondContact O-N 3.34Å; L651-H655 WeakPolarHBondContact O-CB 3.43Å; L651-H655 PolarHBondContact O-N 3.38Å |
| 652 | R | 86 | Confident | 82.8 | Confident | 131 Ų | 131 | 100.3 Ų | 100.3 | 49% | 0.494 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -89 | -33.1 | 176.5 | -162.7 | -166.6 | -42.4 | 117 | 12.6 | 111.7 | R648 E649 E650 E656 | R648-R652 WeakPolarHBondContact O-CB 3.19Å; R648-R652 PolarHBondContact O-NH2 2.61Å; E649-R652 CarbonylContact O-C 3.6Å; E649-R652 WeakPolarHBondContact O-CA 3.32Å; E649-R652 WeakPolarHBondContact O-CB 3.41Å; E649-R652 PolarHBondContact O-N 3.15Å; E650-R652 PolarHBondContact O-N 3.43Å; R652-E656 WeakPolarHBondContact O-CB 3.21Å; R652-E656 WeakPolarHBondContact O-CG 3.42Å; R652-E656 PolarHBondContact O-N 2.79Å |
| 653 | E | 82.4 | Confident | 82.7 | Confident | 124 Ų | 124 | 100.8 Ų | 100.8 | 58% | 0.579 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.2 | -47.4 | 171.5 | -72.8 | 172 | 176.9 | 0 | 0 | 109.1 | E649 E650 H655 E656 E657 | E649-E653 WeakPolarHBondContact O-CG 3.48Å; E649-E653 PolarHBondContact O-N 2.84Å; E650-E653 PolarHBondContact O-N 2.82Å; E653-H655 PolarHBondContact O-N 3.4Å; E653-E656 CarbonylContact O-C 3.57Å; E653-E656 PolarHBondContact O-N 2.79Å; E653-E656 VanDerWaalsContact O-N 3.13Å; E653-E657 WeakPolarHBondContact O-CB 3.44Å; E653-E657 WeakPolarHBondContact O-CG 3.22Å; E653-E657 PolarHBondContact O-N 3.49Å |
| 654 | E | 79.7 | Confident | 82.7 | Confident | 118 Ų | 118 | 99.5 Ų | 99.5 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -52.7 | -49.6 | 169.7 | -71.2 | -178.8 | 147.8 | 0 | 0 | 112.1 | E650 E656 E657 E658 | E650-E654 WeakPolarHBondContact O-CG 3.24Å; E650-E654 PolarHBondContact O-N 3.05Å; E654-E656 VanDerWaalsContact C-N 3.34Å; E654-E656 PolarHBondContact O-N 3.42Å; E654-E657 PolarHBondContact O-N 2.7Å; E654-E658 WeakPolarHBondContact O-CG 3.43Å; E654-E658 PolarHBondContact O-N 3.39Å |
| 655 | H | 83.3 | Confident | 82.8 | Confident | 123 Ų | 123 | 103.6 Ų | 103.6 | 57% | 0.569 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68 | -30.2 | -179.7 | -166.6 | -31.8 | 0 | 0 | 0 | 112.8 | L651 E653 K659 | L651-H655 WeakPolarHBondContact O-CB 3.43Å; L651-H655 PolarHBondContact O-N 3.38Å; E653-H655 PolarHBondContact O-N 3.4Å; H655-K659 WeakPolarHBondContact O-CB 3.42Å; H655-K659 PolarHBondContact O-N 3.01Å |
| 656 | E | 80.4 | Confident | 82.7 | Confident | 88 Ų | 88 | 103.6 Ų | 103.6 | 41% | 0.411 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -77.5 | -31 | 172.1 | -77.5 | -66 | 157.9 | 0 | 0 | 112.5 | R652 E653 E654 K659 T660 | R652-E656 WeakPolarHBondContact O-CB 3.21Å; R652-E656 WeakPolarHBondContact O-CG 3.42Å; R652-E656 PolarHBondContact O-N 2.79Å; E653-E656 CarbonylContact O-C 3.57Å; E653-E656 PolarHBondContact O-N 2.79Å; E653-E656 VanDerWaalsContact O-N 3.13Å; E654-E656 VanDerWaalsContact C-N 3.34Å; E654-E656 PolarHBondContact O-N 3.42Å; E656-K659 IonicContact OE1-NZ 2.98Å; E656-K659 PolarHBondContact OE1-NZ 3.47Å; E656-K659 IonicContact OE2-NZ 3.49Å; E656-K659 PolarHBondContact OE2-NZ 3.1Å; E656-T660 WeakPolarHBondContact O-CB 3.39Å; E656-T660 VanDerWaalsContact O-CG2 3.31Å; E656-T660 WeakPolarHBondContact O-CG2 3.45Å; E656-T660 PolarHBondContact O-N 3.15Å; E656-T660 PolarHBondContact O-OG1 3.14Å |
| 657 | E | 83.1 | Confident | 82.5 | Confident | 138 Ų | 138 | 102 Ų | 102 | 65% | 0.645 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.6 | -46.5 | 171.3 | -74.2 | -169.6 | 172.8 | 0 | 0 | 111.4 | E653 E654 K659 T660 A661 | E653-E657 WeakPolarHBondContact O-CB 3.44Å; E653-E657 WeakPolarHBondContact O-CG 3.22Å; E653-E657 PolarHBondContact O-N 3.49Å; E654-E657 PolarHBondContact O-N 2.7Å; E657-K659 VanDerWaalsContact C-N 3.33Å; E657-K659 PolarHBondContact O-N 3.16Å; E657-T660 WeakPolarHBondContact CA-OG1 3.48Å; E657-T660 PolarHBondContact O-N 3.4Å; E657-T660 PolarHBondContact O-OG1 2.73Å; E657-A661 WeakPolarHBondContact O-CB 3.34Å; E657-A661 PolarHBondContact O-N 3.48Å |
| 658 | E | 79.1 | Confident | 82.7 | Confident | 144 Ų | 144 | 102.2 Ų | 102.2 | 67% | 0.673 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.9 | -43.9 | 171.6 | -74.4 | -167.7 | 154.1 | 0 | 0 | 111.6 | E654 A661 A662 | E654-E658 WeakPolarHBondContact O-CG 3.43Å; E654-E658 PolarHBondContact O-N 3.39Å; E658-A661 PolarHBondContact O-N 2.85Å; E658-A662 VanDerWaalsContact O-CB 3.24Å; E658-A662 WeakPolarHBondContact O-CB 3.07Å; E658-A662 PolarHBondContact O-N 3.08Å |
| 659 | K | 84.9 | Confident | 82.4 | Confident | 90 Ų | 90 | 96.2 Ų | 96.2 | 39% | 0.391 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 178.4 | 169.8 | 165.8 | 157.2 | -95.4 | 0 | 112.2 | H655 E656 E657 L663 | H655-K659 WeakPolarHBondContact O-CB 3.42Å; H655-K659 PolarHBondContact O-N 3.01Å; E656-K659 IonicContact OE1-NZ 2.98Å; E656-K659 PolarHBondContact OE1-NZ 3.47Å; E656-K659 IonicContact OE2-NZ 3.49Å; E656-K659 PolarHBondContact OE2-NZ 3.1Å; E657-K659 VanDerWaalsContact C-N 3.33Å; E657-K659 PolarHBondContact O-N 3.16Å; K659-L663 HydrophobicContact CG-CD1 4.18Å; K659-L663 WeakPolarHBondContact O-CB 3.44Å; K659-L663 WeakPolarHBondContact O-CD1 3.28Å; K659-L663 WeakPolarHBondContact O-CG 3.31Å; K659-L663 PolarHBondContact O-N 3.09Å |
| 660 | T | 84.7 | Confident | 82.4 | Confident | 80 Ų | 80 | 98.8 Ų | 98.8 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -73.5 | -35.8 | 176.5 | 50.2 | 0 | 0 | 0 | 0 | 112 | E656 E657 L663 A664 | E656-T660 WeakPolarHBondContact O-CB 3.39Å; E656-T660 VanDerWaalsContact O-CG2 3.31Å; E656-T660 WeakPolarHBondContact O-CG2 3.45Å; E656-T660 PolarHBondContact O-N 3.15Å; E656-T660 PolarHBondContact O-OG1 3.14Å; E657-T660 WeakPolarHBondContact CA-OG1 3.48Å; E657-T660 PolarHBondContact O-N 3.4Å; E657-T660 PolarHBondContact O-OG1 2.73Å; T660-L663 PolarHBondContact O-N 2.87Å; T660-A664 VanDerWaalsContact O-CB 3.27Å; T660-A664 WeakPolarHBondContact O-CB 3.48Å; T660-A664 PolarHBondContact O-N 3.33Å |
| 661 | A | 84.3 | Confident | 82.4 | Confident | 47 Ų | 47 | 100 Ų | 100 | 39% | 0.388 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | E657 E658 A664 Q665 | E657-A661 WeakPolarHBondContact O-CB 3.34Å; E657-A661 PolarHBondContact O-N 3.48Å; E658-A661 PolarHBondContact O-N 2.85Å; A661-A664 PolarHBondContact O-N 2.7Å; A661-Q665 WeakPolarHBondContact O-CG 3.35Å; A661-Q665 PolarHBondContact O-N 2.83Å |
| 662 | A | 81.1 | Confident | 82.4 | Confident | 57 Ų | 57 | 100 Ų | 100 | 47% | 0.471 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E658 L666 | E658-A662 VanDerWaalsContact O-CB 3.24Å; E658-A662 WeakPolarHBondContact O-CB 3.07Å; E658-A662 PolarHBondContact O-N 3.08Å; A662-L666 VanDerWaalsContact O-CB 3.3Å; A662-L666 WeakPolarHBondContact O-CB 3.15Å; A662-L666 PolarHBondContact O-N 3.18Å |
| 663 | L | 81.4 | Confident | 82 | Confident | 100 Ų | 100 | 99.3 Ų | 99.3 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.9 | -37.4 | 173.2 | -74.2 | 168.8 | 0 | 0 | 0 | 112.1 | K659 T660 L666 A667 | K659-L663 HydrophobicContact CG-CD1 4.18Å; K659-L663 WeakPolarHBondContact O-CB 3.44Å; K659-L663 WeakPolarHBondContact O-CD1 3.28Å; K659-L663 WeakPolarHBondContact O-CG 3.31Å; K659-L663 PolarHBondContact O-N 3.09Å; T660-L663 PolarHBondContact O-N 2.87Å; L663-L666 PolarHBondContact O-N 2.87Å; L663-A667 VanDerWaalsContact O-CB 3.3Å; L663-A667 WeakPolarHBondContact O-CB 3.46Å; L663-A667 PolarHBondContact O-N 3.33Å |
| 664 | A | 83.6 | Confident | 81.8 | Confident | 58 Ų | 58 | 98.4 Ų | 98.4 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.6 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | T660 A661 A667 Q668 | T660-A664 VanDerWaalsContact O-CB 3.27Å; T660-A664 WeakPolarHBondContact O-CB 3.48Å; T660-A664 PolarHBondContact O-N 3.33Å; A661-A664 PolarHBondContact O-N 2.7Å; A664-A667 PolarHBondContact O-N 2.91Å; A664-Q668 WeakPolarHBondContact O-CB 3.36Å; A664-Q668 PolarHBondContact O-N 2.71Å |
| 665 | Q | 82.6 | Confident | 81.9 | Confident | 135 Ų | 135 | 95.6 Ų | 95.6 | 63% | 0.631 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63 | -41.3 | 173.4 | -73.3 | -178.5 | 5.4 | 0 | 0 | 111.9 | A661 Q668 S669 | A661-Q665 WeakPolarHBondContact O-CG 3.35Å; A661-Q665 PolarHBondContact O-N 2.83Å; Q665-Q668 PolarHBondContact O-N 3.44Å; Q665-S669 WeakPolarHBondContact O-CB 3.48Å; Q665-S669 PolarHBondContact O-N 2.79Å |
| 666 | L | 81 | Confident | 81.9 | Confident | 101 Ų | 101 | 93 Ų | 93 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 175.5 | -174.2 | 66.8 | 0 | 0 | 0 | 111.5 | A662 L663 K670 | A662-L666 VanDerWaalsContact O-CB 3.3Å; A662-L666 WeakPolarHBondContact O-CB 3.15Å; A662-L666 PolarHBondContact O-N 3.18Å; L663-L666 PolarHBondContact O-N 2.87Å; L666-K670 WeakPolarHBondContact O-CB 3.4Å; L666-K670 WeakPolarHBondContact O-CG 3.35Å; L666-K670 PolarHBondContact O-N 3.31Å |
| 667 | A | 80.2 | Confident | 81.9 | Confident | 59 Ų | 59 | 90.8 Ų | 90.8 | 49% | 0.488 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | L663 A664 S669 K670 E671 | L663-A667 VanDerWaalsContact O-CB 3.3Å; L663-A667 WeakPolarHBondContact O-CB 3.46Å; L663-A667 PolarHBondContact O-N 3.33Å; A664-A667 PolarHBondContact O-N 2.91Å; A667-S669 PolarHBondContact O-N 3.38Å; A667-K670 PolarHBondContact O-N 3.29Å; A667-E671 WeakPolarHBondContact O-CB 3.32Å; A667-E671 PolarHBondContact O-N 2.83Å |
| 668 | Q | 86.3 | Confident | 81.9 | Confident | 113 Ų | 113 | 91.2 Ų | 91.2 | 53% | 0.528 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 176.5 | -173.3 | 179.7 | 23.3 | 0 | 0 | 111.7 | A664 Q665 E671 Q672 | A664-Q668 WeakPolarHBondContact O-CB 3.36Å; A664-Q668 PolarHBondContact O-N 2.71Å; Q665-Q668 PolarHBondContact O-N 3.44Å; Q668-E671 PolarHBondContact O-N 3.35Å; Q668-Q672 WeakPolarHBondContact O-CB 3.15Å; Q668-Q672 WeakPolarHBondContact O-CG 3.35Å; Q668-Q672 PolarHBondContact O-N 2.9Å |
| 669 | S | 79.8 | Confident | 82.2 | Confident | 52 Ų | 52 | 88.8 Ų | 88.8 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | 174.4 | -174.1 | 0 | 0 | 0 | 0 | 111.2 | Q665 A667 E671 Q672 E673 | Q665-S669 WeakPolarHBondContact O-CB 3.48Å; Q665-S669 PolarHBondContact O-N 2.79Å; A667-S669 PolarHBondContact O-N 3.38Å; S669-E671 VanDerWaalsContact C-N 3.3Å; S669-E671 PolarHBondContact O-N 3.29Å; S669-Q672 PolarHBondContact O-N 2.81Å; S669-E673 WeakPolarHBondContact O-CG 3.49Å; S669-E673 PolarHBondContact O-N 2.95Å |
| 670 | K | 81.9 | Confident | 81.8 | Confident | 113 Ų | 113 | 86.7 Ų | 86.7 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.2 | -35.5 | 174.8 | -71 | -107.1 | 176 | 179.4 | 0 | 113 | L666 A667 Q674 | L666-K670 WeakPolarHBondContact O-CB 3.4Å; L666-K670 WeakPolarHBondContact O-CG 3.35Å; L666-K670 PolarHBondContact O-N 3.31Å; A667-K670 PolarHBondContact O-N 3.29Å; K670-Q674 WeakPolarHBondContact O-CB 3.18Å; K670-Q674 VanDerWaalsContact O-CG 3.3Å; K670-Q674 WeakPolarHBondContact O-CG 3.16Å; K670-Q674 PolarHBondContact O-N 3.07Å |
| 671 | E | 82.2 | Confident | 81.8 | Confident | 115 Ų | 115 | 91 Ų | 91 | 54% | 0.537 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.6 | -40 | 175.2 | -179.1 | 165.5 | -152.6 | 0 | 0 | 111.5 | A667 Q668 S669 Q674 N675 | A667-E671 WeakPolarHBondContact O-CB 3.32Å; A667-E671 PolarHBondContact O-N 2.83Å; Q668-E671 PolarHBondContact O-N 3.35Å; S669-E671 VanDerWaalsContact C-N 3.3Å; S669-E671 PolarHBondContact O-N 3.29Å; E671-Q674 PolarHBondContact O-N 2.61Å; E671-N675 WeakPolarHBondContact CG-ND2 3.37Å; E671-N675 VanDerWaalsContact O-CB 3.25Å; E671-N675 WeakPolarHBondContact O-CB 3.32Å; E671-N675 PolarHBondContact O-N 2.9Å; E671-N675 PolarHBondContact O-ND2 2.84Å |
| 672 | Q | 81.8 | Confident | 81.6 | Confident | 114 Ų | 114 | 93.5 Ų | 93.5 | 53% | 0.533 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 172.5 | -73.8 | 176.8 | -3.3 | 0 | 0 | 112.1 | Q668 S669 S676 | Q668-Q672 WeakPolarHBondContact O-CB 3.15Å; Q668-Q672 WeakPolarHBondContact O-CG 3.35Å; Q668-Q672 PolarHBondContact O-N 2.9Å; S669-Q672 PolarHBondContact O-N 2.81Å; Q672-S676 VanDerWaalsContact O-CB 3.22Å; Q672-S676 WeakPolarHBondContact O-CB 3.35Å; Q672-S676 PolarHBondContact O-N 2.95Å; Q672-S676 PolarHBondContact O-OG 2.8Å |
| 673 | E | 78.4 | Confident | 81.7 | Confident | 116 Ų | 116 | 97.3 Ų | 97.3 | 54% | 0.542 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.1 | -48 | 171.6 | -74.8 | 177.9 | 169.1 | 0 | 0 | 111.3 | S669 N675 S676 A677 | S669-E673 WeakPolarHBondContact O-CG 3.49Å; S669-E673 PolarHBondContact O-N 2.95Å; E673-N675 PolarHBondContact O-N 2.95Å; E673-S676 PolarHBondContact O-N 3.35Å; E673-A677 VanDerWaalsContact O-CB 3.26Å; E673-A677 WeakPolarHBondContact O-CB 3.3Å; E673-A677 PolarHBondContact O-N 2.86Å |
| 674 | Q | 77.2 | Confident | 81.7 | Confident | 106 Ų | 106 | 97.7 Ų | 97.7 | 50% | 0.495 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 177.5 | -79.4 | -174.7 | 32.4 | 0 | 0 | 112.4 | K670 E671 A677 R678 | K670-Q674 WeakPolarHBondContact O-CB 3.18Å; K670-Q674 VanDerWaalsContact O-CG 3.3Å; K670-Q674 WeakPolarHBondContact O-CG 3.16Å; K670-Q674 PolarHBondContact O-N 3.07Å; E671-Q674 PolarHBondContact O-N 2.61Å; Q674-A677 PolarHBondContact O-N 2.88Å; Q674-R678 VanDerWaalsContact O-CB 3.31Å; Q674-R678 WeakPolarHBondContact O-CB 3.26Å; Q674-R678 WeakPolarHBondContact O-CD 3.2Å; Q674-R678 WeakPolarHBondContact O-CG 3.27Å; Q674-R678 PolarHBondContact O-N 2.88Å |
| 675 | N | 83.1 | Confident | 81.6 | Confident | 58 Ų | 58 | 98.2 Ų | 98.2 | 31% | 0.31 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -72.5 | -39.8 | 178.4 | -70.4 | -23.1 | 0 | 0 | 0 | 111.1 | E671 E673 A677 R678 E679 | E671-N675 WeakPolarHBondContact CG-ND2 3.37Å; E671-N675 VanDerWaalsContact O-CB 3.25Å; E671-N675 WeakPolarHBondContact O-CB 3.32Å; E671-N675 PolarHBondContact O-N 2.9Å; E671-N675 PolarHBondContact O-ND2 2.84Å; E673-N675 PolarHBondContact O-N 2.95Å; N675-A677 VanDerWaalsContact C-N 3.33Å; N675-A677 PolarHBondContact O-N 3.49Å; N675-R678 PolarHBondContact O-N 3.36Å; N675-R678 PolarHBondContact OD1-NH1 3.46Å; N675-E679 WeakPolarHBondContact O-CB 3.26Å; N675-E679 WeakPolarHBondContact O-CG 3.45Å; N675-E679 PolarHBondContact O-N 3.36Å |
| 676 | S | 82.1 | Confident | 81.7 | Confident | 69 Ų | 69 | 95.3 Ų | 95.3 | 48% | 0.483 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 171 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | Q672 E673 S680 | Q672-S676 VanDerWaalsContact O-CB 3.22Å; Q672-S676 WeakPolarHBondContact O-CB 3.35Å; Q672-S676 PolarHBondContact O-N 2.95Å; Q672-S676 PolarHBondContact O-OG 2.8Å; E673-S676 PolarHBondContact O-N 3.35Å; S676-S680 WeakPolarHBondContact O-CB 3.47Å; S676-S680 PolarHBondContact O-N 3.33Å |
| 677 | A | 81.3 | Confident | 81.8 | Confident | 41 Ų | 41 | 94.3 Ų | 94.3 | 34% | 0.339 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.3 | -47.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E673 Q674 N675 E679 S680 W681 | E673-A677 VanDerWaalsContact O-CB 3.26Å; E673-A677 WeakPolarHBondContact O-CB 3.3Å; E673-A677 PolarHBondContact O-N 2.86Å; Q674-A677 PolarHBondContact O-N 2.88Å; N675-A677 VanDerWaalsContact C-N 3.33Å; N675-A677 PolarHBondContact O-N 3.49Å; A677-E679 PolarHBondContact O-N 2.75Å; A677-S680 PolarHBondContact O-N 2.81Å; A677-S680 VanDerWaalsContact O-N 3.13Å; A677-S680 PolarHBondContact O-OG 3Å; A677-W681 PolarHBondContact O-N 3.23Å |
| 678 | R | 83.9 | Confident | 81.9 | Confident | 147 Ų | 147 | 96.1 Ų | 96.1 | 56% | 0.555 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -56.8 | -46.7 | 174.7 | -77.4 | 165 | -179.9 | 165 | 0.2 | 111.3 | Q674 N675 S680 W681 Q682 | Q674-R678 VanDerWaalsContact O-CB 3.31Å; Q674-R678 WeakPolarHBondContact O-CB 3.26Å; Q674-R678 WeakPolarHBondContact O-CD 3.2Å; Q674-R678 WeakPolarHBondContact O-CG 3.27Å; Q674-R678 PolarHBondContact O-N 2.88Å; N675-R678 PolarHBondContact O-N 3.36Å; N675-R678 PolarHBondContact OD1-NH1 3.46Å; R678-S680 PolarHBondContact O-N 3.3Å; R678-W681 CarbonylContact O-C 3.58Å; R678-W681 PolarHBondContact O-N 3.02Å; R678-Q682 VanDerWaalsContact O-CB 3.29Å; R678-Q682 WeakPolarHBondContact O-CB 3.49Å; R678-Q682 PolarHBondContact O-N 2.78Å |
| 679 | E | 84.7 | Confident | 81.5 | Confident | 94 Ų | 94 | 95.4 Ų | 95.4 | 44% | 0.439 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 175.1 | -71.2 | -179 | -162.5 | 0 | 0 | 112.3 | N675 A677 W681 Q682 R683 | N675-E679 WeakPolarHBondContact O-CB 3.26Å; N675-E679 WeakPolarHBondContact O-CG 3.45Å; N675-E679 PolarHBondContact O-N 3.36Å; A677-E679 PolarHBondContact O-N 2.75Å; E679-W681 VanDerWaalsContact C-N 3.28Å; E679-W681 PolarHBondContact O-N 3.43Å; E679-Q682 PolarHBondContact O-N 2.88Å; E679-R683 VanDerWaalsContact CB-NH1 3.31Å; E679-R683 WeakPolarHBondContact O-CB 3.35Å; E679-R683 VanDerWaalsContact O-CG 3.24Å; E679-R683 WeakPolarHBondContact O-CG 3.19Å; E679-R683 PolarHBondContact O-N 3.33Å; E679-R683 IonicContact OE2-CZ 2.98Å; E679-R683 VanDerWaalsContact OE2-CZ 3.24Å; E679-R683 IonicContact OE2-NH1 2.68Å; E679-R683 PolarHBondContact OE2-NH1 2.81Å; E679-R683 IonicContact OE2-NH2 3.65Å; E679-R683 PolarHBondContact OE2-NH2 3.36Å |
| 680 | S | 76.7 | Confident | 81.6 | Confident | 45 Ų | 45 | 98.8 Ų | 98.8 | 32% | 0.315 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.4 | -30.9 | 176.7 | 81.7 | 0 | 0 | 0 | 0 | 112.6 | S676 A677 R678 K684 | S676-S680 WeakPolarHBondContact O-CB 3.47Å; S676-S680 PolarHBondContact O-N 3.33Å; A677-S680 PolarHBondContact O-N 2.81Å; A677-S680 VanDerWaalsContact O-N 3.13Å; A677-S680 PolarHBondContact O-OG 3Å; R678-S680 PolarHBondContact O-N 3.3Å; S680-K684 WeakPolarHBondContact O-CD 3.49Å; S680-K684 WeakPolarHBondContact O-CG 3.46Å; S680-K684 PolarHBondContact O-N 3.5Å |
| 681 | W | 83.2 | Confident | 81.5 | Confident | 170 Ų | 170 | 98.4 Ų | 98.4 | 64% | 0.644 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -79.6 | -37 | 172.3 | -77.9 | 115.2 | 0 | 0 | 0 | 112.2 | A677 R678 E679 K684 V685 | A677-W681 PolarHBondContact O-N 3.23Å; R678-W681 CarbonylContact O-C 3.58Å; R678-W681 PolarHBondContact O-N 3.02Å; E679-W681 VanDerWaalsContact C-N 3.28Å; E679-W681 PolarHBondContact O-N 3.43Å; W681-K684 HydrophobicContact CE3-CD 4.32Å; W681-K684 HydrophobicContact CZ3-CD 4.43Å; W681-K684 CarbonylContact O-C 3.42Å; W681-K684 PolarHBondContact O-N 3.45Å; W681-V685 WeakPolarHBondContact O-CB 3.47Å; W681-V685 WeakPolarHBondContact O-CG2 3.32Å; W681-V685 PolarHBondContact O-N 3.47Å |
| 682 | Q | 81.9 | Confident | 81.3 | Confident | 101 Ų | 101 | 96.7 Ų | 96.7 | 47% | 0.472 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.4 | -48.7 | 174.6 | -173.2 | 60 | 52.4 | 0 | 0 | 109.8 | R678 E679 K684 V685 D686 | R678-Q682 VanDerWaalsContact O-CB 3.29Å; R678-Q682 WeakPolarHBondContact O-CB 3.49Å; R678-Q682 PolarHBondContact O-N 2.78Å; E679-Q682 PolarHBondContact O-N 2.88Å; Q682-K684 VanDerWaalsContact C-N 3.32Å; Q682-K684 PolarHBondContact O-N 3.08Å; Q682-V685 CarbonylContact O-C 3.58Å; Q682-V685 WeakPolarHBondContact O-CA 3.06Å; Q682-V685 WeakPolarHBondContact O-CB 3.42Å; Q682-V685 PolarHBondContact O-N 2.99Å; Q682-D686 PolarHBondContact NE2-OD1 3.43Å; Q682-D686 WeakPolarHBondContact O-CB 3.28Å; Q682-D686 PolarHBondContact O-N 2.79Å |
| 683 | R | 82.9 | Confident | 81.1 | Confident | 136 Ų | 136 | 94 Ų | 94 | 51% | 0.513 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -53.1 | -47.7 | 171.4 | -72.8 | 170.8 | -172.8 | 113.8 | 12.4 | 111.2 | E679 V685 D686 D687 | E679-R683 VanDerWaalsContact CB-NH1 3.31Å; E679-R683 WeakPolarHBondContact O-CB 3.35Å; E679-R683 VanDerWaalsContact O-CG 3.24Å; E679-R683 WeakPolarHBondContact O-CG 3.19Å; E679-R683 PolarHBondContact O-N 3.33Å; E679-R683 IonicContact OE2-CZ 2.98Å; E679-R683 VanDerWaalsContact OE2-CZ 3.24Å; E679-R683 IonicContact OE2-NH1 2.68Å; E679-R683 PolarHBondContact OE2-NH1 2.81Å; E679-R683 IonicContact OE2-NH2 3.65Å; E679-R683 PolarHBondContact OE2-NH2 3.36Å; R683-V685 VanDerWaalsContact C-N 3.34Å; R683-V685 PolarHBondContact O-N 3.48Å; R683-D686 CarbonylContact O-C 3.54Å; R683-D686 PolarHBondContact O-N 2.73Å; R683-D686 VanDerWaalsContact O-N 3.15Å; R683-D687 WeakPolarHBondContact O-CB 3.48Å; R683-D687 PolarHBondContact O-N 2.84Å; R683-D687 VanDerWaalsContact O-OD2 3.11Å |
| 684 | K | 81.8 | Confident | 81.1 | Confident | 108 Ų | 108 | 93.1 Ų | 93.1 | 47% | 0.47 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.2 | -31.7 | 175.7 | -76.7 | 167.9 | -178.5 | 164.3 | 0 | 114.2 | S680 W681 Q682 L688 | S680-K684 WeakPolarHBondContact O-CD 3.49Å; S680-K684 WeakPolarHBondContact O-CG 3.46Å; S680-K684 PolarHBondContact O-N 3.5Å; W681-K684 HydrophobicContact CE3-CD 4.32Å; W681-K684 HydrophobicContact CZ3-CD 4.43Å; W681-K684 CarbonylContact O-C 3.42Å; W681-K684 PolarHBondContact O-N 3.45Å; Q682-K684 VanDerWaalsContact C-N 3.32Å; Q682-K684 PolarHBondContact O-N 3.08Å; K684-L688 VanDerWaalsContact O-CB 3.24Å; K684-L688 WeakPolarHBondContact O-CB 3.13Å; K684-L688 WeakPolarHBondContact O-CD1 3.35Å; K684-L688 WeakPolarHBondContact O-CG 3.39Å; K684-L688 PolarHBondContact O-N 2.91Å |
| 685 | V | 81.6 | Confident | 81 | Confident | 69 Ų | 69 | 93.4 Ų | 93.4 | 42% | 0.418 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -70.3 | -40.7 | 172.5 | 165 | 0 | 0 | 0 | 0 | 110.1 | W681 Q682 R683 L688 L689 | W681-V685 WeakPolarHBondContact O-CB 3.47Å; W681-V685 WeakPolarHBondContact O-CG2 3.32Å; W681-V685 PolarHBondContact O-N 3.47Å; Q682-V685 CarbonylContact O-C 3.58Å; Q682-V685 WeakPolarHBondContact O-CA 3.06Å; Q682-V685 WeakPolarHBondContact O-CB 3.42Å; Q682-V685 PolarHBondContact O-N 2.99Å; R683-V685 VanDerWaalsContact C-N 3.34Å; R683-V685 PolarHBondContact O-N 3.48Å; V685-L688 PolarHBondContact O-N 2.76Å; V685-L689 HydrophobicContact CG1-CD1 3.81Å; V685-L689 HydrophobicContact CG1-CG 4.34Å; V685-L689 VanDerWaalsContact O-CB 3.3Å; V685-L689 WeakPolarHBondContact O-CB 3.4Å; V685-L689 WeakPolarHBondContact O-CG 3.22Å; V685-L689 PolarHBondContact O-N 3.26Å |
| 686 | D | 84.2 | Confident | 80.7 | Confident | 74 Ų | 74 | 97.2 Ų | 97.2 | 40% | 0.396 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.3 | -44.7 | 177.2 | -59.4 | -27.5 | 0 | 0 | 0 | 110.7 | Q682 R683 L688 L689 E690 | Q682-D686 PolarHBondContact NE2-OD1 3.43Å; Q682-D686 WeakPolarHBondContact O-CB 3.28Å; Q682-D686 PolarHBondContact O-N 2.79Å; R683-D686 CarbonylContact O-C 3.54Å; R683-D686 PolarHBondContact O-N 2.73Å; R683-D686 VanDerWaalsContact O-N 3.15Å; D686-L688 VanDerWaalsContact C-N 3.29Å; D686-L688 PolarHBondContact O-N 3.28Å; D686-L689 CarbonylContact O-C 3.53Å; D686-L689 PolarHBondContact O-N 3.5Å; D686-L689 VanDerWaalsContact O-N 3.15Å; D686-E690 WeakPolarHBondContact O-CB 3.4Å; D686-E690 PolarHBondContact O-N 3.28Å |
| 687 | D | 83.4 | Confident | 80.3 | Confident | 80 Ų | 80 | 100 Ų | 100 | 43% | 0.428 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.8 | -40.1 | 172.1 | -62.7 | -32.5 | 0 | 0 | 0 | 111.3 | R683 Q691 | R683-D687 WeakPolarHBondContact O-CB 3.48Å; R683-D687 PolarHBondContact O-N 2.84Å; R683-D687 VanDerWaalsContact O-OD2 3.11Å; D687-Q691 WeakPolarHBondContact O-CB 3.3Å; D687-Q691 VanDerWaalsContact O-CG 3.22Å; D687-Q691 WeakPolarHBondContact O-CG 3.45Å; D687-Q691 PolarHBondContact O-N 3.5Å; D687-Q691 PolarHBondContact O-NE2 3.46Å |
| 688 | L | 80.8 | Confident | 80 | Confident | 97 Ų | 97 | 100.5 Ų | 100.5 | 51% | 0.508 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -75.6 | -34.4 | 176.6 | -76.1 | 170.4 | 0 | 0 | 0 | 111.8 | K684 V685 D686 I692 | K684-L688 VanDerWaalsContact O-CB 3.24Å; K684-L688 WeakPolarHBondContact O-CB 3.13Å; K684-L688 WeakPolarHBondContact O-CD1 3.35Å; K684-L688 WeakPolarHBondContact O-CG 3.39Å; K684-L688 PolarHBondContact O-N 2.91Å; V685-L688 PolarHBondContact O-N 2.76Å; D686-L688 VanDerWaalsContact C-N 3.29Å; D686-L688 PolarHBondContact O-N 3.28Å; L688-I692 VanDerWaalsContact O-CB 3.24Å; L688-I692 WeakPolarHBondContact O-CB 3.45Å; L688-I692 WeakPolarHBondContact O-CD1 3.15Å; L688-I692 WeakPolarHBondContact O-CG1 3.13Å; L688-I692 PolarHBondContact O-N 3.11Å |
| 689 | L | 79.5 | Confident | 79.6 | Confident | 98 Ų | 98 | 99 Ų | 99 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.7 | -33.7 | 173.1 | -76.3 | 169.7 | 0 | 0 | 0 | 111.6 | V685 D686 I692 S693 | V685-L689 HydrophobicContact CG1-CD1 3.81Å; V685-L689 HydrophobicContact CG1-CG 4.34Å; V685-L689 VanDerWaalsContact O-CB 3.3Å; V685-L689 WeakPolarHBondContact O-CB 3.4Å; V685-L689 WeakPolarHBondContact O-CG 3.22Å; V685-L689 PolarHBondContact O-N 3.26Å; D686-L689 CarbonylContact O-C 3.53Å; D686-L689 PolarHBondContact O-N 3.5Å; D686-L689 VanDerWaalsContact O-N 3.15Å; L689-I692 CarbonylContact O-C 3.58Å; L689-I692 PolarHBondContact O-N 3.13Å; L689-S693 WeakPolarHBondContact O-CB 3.42Å; L689-S693 PolarHBondContact O-N 3.23Å |
| 690 | E | 80.5 | Confident | 79.4 | Confident | 123 Ų | 123 | 101.2 Ų | 101.2 | 58% | 0.575 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -75.4 | -39 | 173.3 | -171.3 | 167.2 | -125.5 | 0 | 0 | 111.3 | D686 I692 S693 L694 | D686-E690 WeakPolarHBondContact O-CB 3.4Å; D686-E690 PolarHBondContact O-N 3.28Å; E690-I692 VanDerWaalsContact C-N 3.3Å; E690-I692 PolarHBondContact O-N 2.8Å; E690-S693 WeakPolarHBondContact CA-OG 3.2Å; E690-S693 PolarHBondContact O-N 2.84Å; E690-S693 PolarHBondContact O-OG 2.87Å; E690-L694 HydrophobicContact CG-CD1 4.15Å; E690-L694 VanDerWaalsContact O-CB 3.29Å; E690-L694 WeakPolarHBondContact O-CB 3.24Å; E690-L694 WeakPolarHBondContact O-CG 3.46Å; E690-L694 PolarHBondContact O-N 3.01Å |
| 691 | Q | 81.3 | Confident | 79.4 | Confident | 106 Ų | 106 | 103.8 Ų | 103.8 | 50% | 0.495 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 167.1 | -77.9 | 166.9 | 73.9 | 0 | 0 | 111.9 | D687 L695 | D687-Q691 WeakPolarHBondContact O-CB 3.3Å; D687-Q691 VanDerWaalsContact O-CG 3.22Å; D687-Q691 WeakPolarHBondContact O-CG 3.45Å; D687-Q691 PolarHBondContact O-N 3.5Å; D687-Q691 PolarHBondContact O-NE2 3.46Å; Q691-L695 WeakPolarHBondContact O-CB 3.45Å; Q691-L695 WeakPolarHBondContact O-CD1 3.38Å; Q691-L695 WeakPolarHBondContact O-CG 3.44Å; Q691-L695 PolarHBondContact O-N 3.3Å |
| 692 | I | 76.8 | Confident | 79 | Confident | 79 Ų | 79 | 101.5 Ų | 101.5 | 41% | 0.405 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.4 | -32.5 | 173.6 | -73.9 | 163.9 | 0 | 0 | 0 | 111.3 | L688 L689 E690 K696 | L688-I692 VanDerWaalsContact O-CB 3.24Å; L688-I692 WeakPolarHBondContact O-CB 3.45Å; L688-I692 WeakPolarHBondContact O-CD1 3.15Å; L688-I692 WeakPolarHBondContact O-CG1 3.13Å; L688-I692 PolarHBondContact O-N 3.11Å; L689-I692 CarbonylContact O-C 3.58Å; L689-I692 PolarHBondContact O-N 3.13Å; E690-I692 VanDerWaalsContact C-N 3.3Å; E690-I692 PolarHBondContact O-N 2.8Å; I692-K696 HydrophobicContact CG2-CD 4.03Å; I692-K696 HydrophobicContact CG2-CG 4.46Å; I692-K696 VanDerWaalsContact O-CB 3.23Å; I692-K696 WeakPolarHBondContact O-CB 3.47Å; I692-K696 WeakPolarHBondContact O-CG 3.4Å; I692-K696 PolarHBondContact O-N 2.97Å |
| 693 | S | 77.1 | Confident | 78.7 | Confident | 58 Ų | 58 | 101.6 Ų | 101.6 | 41% | 0.406 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -74.3 | -41.1 | 176.4 | 80.8 | 0 | 0 | 0 | 0 | 111.2 | L689 E690 K696 Q697 | L689-S693 WeakPolarHBondContact O-CB 3.42Å; L689-S693 PolarHBondContact O-N 3.23Å; E690-S693 WeakPolarHBondContact CA-OG 3.2Å; E690-S693 PolarHBondContact O-N 2.84Å; E690-S693 PolarHBondContact O-OG 2.87Å; S693-K696 PolarHBondContact O-N 3.45Å; S693-Q697 VanDerWaalsContact O-CB 3.23Å; S693-Q697 WeakPolarHBondContact O-CB 3.47Å; S693-Q697 PolarHBondContact O-N 3.34Å |
| 694 | L | 79.3 | Confident | 78.4 | Confident | 96 Ų | 96 | 98 Ų | 98 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 171.1 | -75.7 | 164.2 | 0 | 0 | 0 | 111.8 | E690 S698 | E690-L694 HydrophobicContact CG-CD1 4.15Å; E690-L694 VanDerWaalsContact O-CB 3.29Å; E690-L694 WeakPolarHBondContact O-CB 3.24Å; E690-L694 WeakPolarHBondContact O-CG 3.46Å; E690-L694 PolarHBondContact O-N 3.01Å; L694-S698 WeakPolarHBondContact O-CB 3.44Å; L694-S698 PolarHBondContact O-N 2.94Å |
| 695 | L | 75.9 | Confident | 78 | Confident | 113 Ų | 113 | 97.6 Ų | 97.6 | 59% | 0.592 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.8 | -40.6 | 172.5 | -80.5 | 166.8 | 0 | 0 | 0 | 111.3 | Q691 S698 L699 | Q691-L695 WeakPolarHBondContact O-CB 3.45Å; Q691-L695 WeakPolarHBondContact O-CD1 3.38Å; Q691-L695 WeakPolarHBondContact O-CG 3.44Å; Q691-L695 PolarHBondContact O-N 3.3Å; L695-S698 PolarHBondContact O-N 2.84Å; L695-L699 WeakPolarHBondContact O-CB 3.42Å; L695-L699 PolarHBondContact O-N 2.84Å |
| 696 | K | 75.1 | Confident | 77.4 | Confident | 138 Ų | 138 | 97.5 Ų | 97.5 | 60% | 0.6 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.4 | -46 | 173.2 | -80.1 | 169.7 | -179.1 | 175.5 | 0 | 111.7 | I692 S693 S698 L699 E700 | I692-K696 HydrophobicContact CG2-CD 4.03Å; I692-K696 HydrophobicContact CG2-CG 4.46Å; I692-K696 VanDerWaalsContact O-CB 3.23Å; I692-K696 WeakPolarHBondContact O-CB 3.47Å; I692-K696 WeakPolarHBondContact O-CG 3.4Å; I692-K696 PolarHBondContact O-N 2.97Å; S693-K696 PolarHBondContact O-N 3.45Å; K696-S698 VanDerWaalsContact C-N 3.31Å; K696-S698 PolarHBondContact O-N 3.03Å; K696-L699 CarbonylContact O-C 3.58Å; K696-L699 PolarHBondContact O-N 3.36Å; K696-E700 WeakPolarHBondContact O-CB 3.38Å; K696-E700 PolarHBondContact O-N 2.92Å |
| 697 | Q | 75.3 | Confident | 77 | Confident | 127 Ų | 127 | 98.8 Ų | 98.8 | 59% | 0.593 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.6 | -34.1 | 178 | -170.6 | 180 | 22.6 | 0 | 0 | 111.3 | S693 M701 | S693-Q697 VanDerWaalsContact O-CB 3.23Å; S693-Q697 WeakPolarHBondContact O-CB 3.47Å; S693-Q697 PolarHBondContact O-N 3.34Å; Q697-M701 WeakPolarHBondContact O-CA 3.47Å; Q697-M701 WeakPolarHBondContact O-CB 3.27Å; Q697-M701 PolarHBondContact O-N 2.76Å |
| 698 | S | 73.3 | Confident | 76.5 | Confident | 52 Ų | 52 | 97.3 Ų | 97.3 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.6 | -42.4 | 171 | -174.7 | 0 | 0 | 0 | 0 | 111.4 | L694 L695 K696 E700 M701 Q702 | L694-S698 WeakPolarHBondContact O-CB 3.44Å; L694-S698 PolarHBondContact O-N 2.94Å; L695-S698 PolarHBondContact O-N 2.84Å; K696-S698 VanDerWaalsContact C-N 3.31Å; K696-S698 PolarHBondContact O-N 3.03Å; S698-E700 VanDerWaalsContact C-N 3.34Å; S698-E700 PolarHBondContact O-N 3.33Å; S698-M701 PolarHBondContact O-N 3.41Å; S698-Q702 WeakPolarHBondContact O-CB 3.41Å; S698-Q702 WeakPolarHBondContact O-CG 3.4Å; S698-Q702 PolarHBondContact O-N 3.36Å |
| 699 | L | 76.7 | Confident | 76.2 | Confident | 116 Ų | 116 | 95.8 Ų | 95.8 | 61% | 0.607 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.2 | -38.1 | 174.1 | -132.5 | 84.4 | 0 | 0 | 0 | 111.6 | L695 K696 Q702 L703 | L695-L699 WeakPolarHBondContact O-CB 3.42Å; L695-L699 PolarHBondContact O-N 2.84Å; K696-L699 CarbonylContact O-C 3.58Å; K696-L699 PolarHBondContact O-N 3.36Å; L699-Q702 CarbonylContact O-C 3.57Å; L699-Q702 PolarHBondContact O-N 2.86Å; L699-L703 WeakPolarHBondContact O-CA 3.44Å; L699-L703 WeakPolarHBondContact O-CB 3.24Å; L699-L703 PolarHBondContact O-N 2.83Å |
| 700 | E | 80.6 | Confident | 76 | Confident | 140 Ų | 140 | 95.5 Ų | 95.5 | 65% | 0.654 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -79.4 | -29.1 | -179.5 | -171.1 | 164.6 | -135.6 | 0 | 0 | 111.2 | K696 S698 S704 | K696-E700 WeakPolarHBondContact O-CB 3.38Å; K696-E700 PolarHBondContact O-N 2.92Å; S698-E700 VanDerWaalsContact C-N 3.34Å; S698-E700 PolarHBondContact O-N 3.33Å; E700-S704 WeakPolarHBondContact O-CB 3.27Å; E700-S704 PolarHBondContact O-N 2.64Å; E700-S704 PolarHBondContact O-OG 3.13Å |
| 701 | M | 75.4 | Confident | 75.7 | Confident | 98 Ų | 98 | 95 Ų | 95 | 48% | 0.483 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.1 | -39.8 | 165.3 | -175.6 | 169.2 | 62.1 | 0 | 0 | 111.2 | Q697 S698 S704 Q705 | Q697-M701 WeakPolarHBondContact O-CA 3.47Å; Q697-M701 WeakPolarHBondContact O-CB 3.27Å; Q697-M701 PolarHBondContact O-N 2.76Å; S698-M701 PolarHBondContact O-N 3.41Å; M701-S704 WeakPolarHBondContact CA-OG 3.07Å; M701-S704 PolarHBondContact O-OG 2.75Å; M701-Q705 HydrophobicContact CG-CG 4.36Å; M701-Q705 WeakPolarHBondContact O-CA 3.24Å; M701-Q705 WeakPolarHBondContact O-CB 3.41Å; M701-Q705 WeakPolarHBondContact O-CG 3.31Å; M701-Q705 PolarHBondContact O-N 3.43Å |
| 702 | Q | 76.1 | Confident | 75.3 | Confident | 122 Ų | 122 | 95.8 Ų | 95.8 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -73 | -28.4 | 172.4 | -76.6 | -164.1 | -7.8 | 0 | 0 | 112.7 | S698 L699 S706 | S698-Q702 WeakPolarHBondContact O-CB 3.41Å; S698-Q702 WeakPolarHBondContact O-CG 3.4Å; S698-Q702 PolarHBondContact O-N 3.36Å; L699-Q702 CarbonylContact O-C 3.57Å; L699-Q702 PolarHBondContact O-N 2.86Å; Q702-S706 WeakPolarHBondContact O-CA 3.27Å; Q702-S706 WeakPolarHBondContact O-CB 3.41Å; Q702-S706 PolarHBondContact O-N 3.4Å; Q702-S706 PolarHBondContact O-OG 3.32Å |
| 703 | L | 74.9 | Confident | 75.1 | Confident | 103 Ų | 103 | 95.4 Ų | 95.4 | 54% | 0.539 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -79.9 | -36.4 | 176.3 | -165.3 | 143.6 | 0 | 0 | 0 | 110.3 | L699 S706 Q707 | L699-L703 WeakPolarHBondContact O-CA 3.44Å; L699-L703 WeakPolarHBondContact O-CB 3.24Å; L699-L703 PolarHBondContact O-N 2.83Å; L703-S706 WeakPolarHBondContact CA-OG 3.49Å; L703-S706 PolarHBondContact O-OG 2.68Å; L703-Q707 WeakPolarHBondContact O-CA 3.22Å; L703-Q707 WeakPolarHBondContact O-CB 3.27Å; L703-Q707 PolarHBondContact O-N 3.29Å |
| 704 | S | 76.4 | Confident | 74.9 | Confident | 60 Ų | 60 | 98.2 Ų | 98.2 | 42% | 0.42 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -74.6 | -31 | 169 | 59.2 | 0 | 0 | 0 | 0 | 113 | E700 M701 S708 | E700-S704 WeakPolarHBondContact O-CB 3.27Å; E700-S704 PolarHBondContact O-N 2.64Å; E700-S704 PolarHBondContact O-OG 3.13Å; M701-S704 WeakPolarHBondContact CA-OG 3.07Å; M701-S704 PolarHBondContact O-OG 2.75Å; S704-S708 WeakPolarHBondContact O-CA 3.44Å; S704-S708 WeakPolarHBondContact O-CB 3.48Å; S704-S708 PolarHBondContact O-N 3Å; S704-S708 PolarHBondContact O-OG 3.29Å |
| 705 | Q | 73.6 | Confident | 74.7 | Confident | 101 Ų | 101 | 98.6 Ų | 98.6 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.1 | -38.4 | 170.7 | -78.3 | 172.6 | 1.3 | 0 | 0 | 112 | M701 S708 S709 | M701-Q705 HydrophobicContact CG-CG 4.36Å; M701-Q705 WeakPolarHBondContact O-CA 3.24Å; M701-Q705 WeakPolarHBondContact O-CB 3.41Å; M701-Q705 WeakPolarHBondContact O-CG 3.31Å; M701-Q705 PolarHBondContact O-N 3.43Å; Q705-S708 WeakPolarHBondContact CA-OG 3.34Å; Q705-S708 PolarHBondContact O-OG 2.93Å; Q705-S708 VanDerWaalsContact O-OG 3.08Å; Q705-S709 WeakPolarHBondContact O-CA 3.44Å; Q705-S709 WeakPolarHBondContact O-CB 3.29Å; Q705-S709 PolarHBondContact O-N 3.33Å; Q705-S709 PolarHBondContact O-OG 3.08Å |
| 706 | S | 68.5 | Low | 74.5 | Confident | 67 Ų | 67 | 98 Ų | 98 | 47% | 0.469 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -76.3 | -28.7 | 173.7 | 61 | 0 | 0 | 0 | 0 | 111.6 | Q702 L703 S709 L710 | Q702-S706 WeakPolarHBondContact O-CA 3.27Å; Q702-S706 WeakPolarHBondContact O-CB 3.41Å; Q702-S706 PolarHBondContact O-N 3.4Å; Q702-S706 PolarHBondContact O-OG 3.32Å; L703-S706 WeakPolarHBondContact CA-OG 3.49Å; L703-S706 PolarHBondContact O-OG 2.68Å; S706-S709 CarbonylContact O-C 3.54Å; S706-L710 WeakPolarHBondContact O-CA 3.27Å; S706-L710 WeakPolarHBondContact O-CB 3.31Å; S706-L710 PolarHBondContact O-N 2.8Å |
| 707 | Q | 76.7 | Confident | 74.2 | Confident | 100 Ų | 100 | 96.7 Ų | 96.7 | 47% | 0.467 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -75.1 | -34 | 169.5 | -174.4 | 177 | 22.3 | 0 | 0 | 111.8 | L703 L710 Q711 | L703-Q707 WeakPolarHBondContact O-CA 3.22Å; L703-Q707 WeakPolarHBondContact O-CB 3.27Å; L703-Q707 PolarHBondContact O-N 3.29Å; Q707-L710 CarbonylContact O-C 3.57Å; Q707-L710 PolarHBondContact O-N 2.72Å; Q707-Q711 VanDerWaalsContact O-CB 3.25Å; Q707-Q711 WeakPolarHBondContact O-CB 3.35Å; Q707-Q711 WeakPolarHBondContact O-CG 3.3Å; Q707-Q711 PolarHBondContact O-N 2.74Å |
| 708 | S | 72.2 | Confident | 74 | Confident | 49 Ų | 49 | 92.3 Ų | 92.3 | 34% | 0.343 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -73.6 | -34.3 | 171.4 | 75.3 | 0 | 0 | 0 | 0 | 111 | S704 Q705 Q711 Q712 | S704-S708 WeakPolarHBondContact O-CA 3.44Å; S704-S708 WeakPolarHBondContact O-CB 3.48Å; S704-S708 PolarHBondContact O-N 3Å; S704-S708 PolarHBondContact O-OG 3.29Å; Q705-S708 WeakPolarHBondContact CA-OG 3.34Å; Q705-S708 PolarHBondContact O-OG 2.93Å; Q705-S708 VanDerWaalsContact O-OG 3.08Å; S708-Q711 PolarHBondContact O-N 3.15Å; S708-Q712 WeakPolarHBondContact O-CB 3.3Å; S708-Q712 VanDerWaalsContact O-CG 3.22Å; S708-Q712 WeakPolarHBondContact O-CG 3.36Å; S708-Q712 PolarHBondContact O-N 3.38Å |
| 709 | S | 74.9 | Confident | 73.9 | Confident | 65 Ų | 65 | 94.5 Ų | 94.5 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.7 | -35.4 | 169.8 | -58.8 | 0 | 0 | 0 | 0 | 111 | Q705 S706 L713 | Q705-S709 WeakPolarHBondContact O-CA 3.44Å; Q705-S709 WeakPolarHBondContact O-CB 3.29Å; Q705-S709 PolarHBondContact O-N 3.33Å; Q705-S709 PolarHBondContact O-OG 3.08Å; S706-S709 CarbonylContact O-C 3.54Å; S709-L713 WeakPolarHBondContact O-CA 3.31Å; S709-L713 WeakPolarHBondContact O-CB 3.34Å; S709-L713 PolarHBondContact O-N 2.75Å |
| 710 | L | 76.3 | Confident | 73.6 | Confident | 92 Ų | 92 | 93.7 Ų | 93.7 | 48% | 0.482 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -73.5 | -31.9 | 173.5 | -166.7 | 91.2 | 0 | 0 | 0 | 111 | S706 Q707 Q714 | S706-L710 WeakPolarHBondContact O-CA 3.27Å; S706-L710 WeakPolarHBondContact O-CB 3.31Å; S706-L710 PolarHBondContact O-N 2.8Å; Q707-L710 CarbonylContact O-C 3.57Å; Q707-L710 PolarHBondContact O-N 2.72Å; L710-Q714 HydrophobicContact CG-CG 4.46Å; L710-Q714 WeakPolarHBondContact O-CA 3.39Å; L710-Q714 WeakPolarHBondContact O-CB 3.47Å; L710-Q714 WeakPolarHBondContact O-CG 3.38Å; L710-Q714 PolarHBondContact O-N 3.38Å |
| 711 | Q | 72.8 | Confident | 73.1 | Confident | 113 Ų | 113 | 95.1 Ų | 95.1 | 53% | 0.528 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -75.2 | -37.9 | 172.3 | -78.3 | 173.1 | 1.5 | 0 | 0 | 111.2 | Q707 S708 H715 | Q707-Q711 VanDerWaalsContact O-CB 3.25Å; Q707-Q711 WeakPolarHBondContact O-CB 3.35Å; Q707-Q711 WeakPolarHBondContact O-CG 3.3Å; Q707-Q711 PolarHBondContact O-N 2.74Å; S708-Q711 PolarHBondContact O-N 3.15Å; Q711-H715 WeakPolarHBondContact O-CA 3.39Å; Q711-H715 WeakPolarHBondContact O-CB 3.34Å; Q711-H715 PolarHBondContact O-N 3.34Å |
| 712 | Q | 72.9 | Confident | 72.9 | Confident | 123 Ų | 123 | 96.2 Ų | 96.2 | 58% | 0.575 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.7 | -36.7 | 170.5 | -78.4 | 175.3 | -16.5 | 0 | 0 | 111.1 | S708 H715 Q716 | S708-Q712 WeakPolarHBondContact O-CB 3.3Å; S708-Q712 VanDerWaalsContact O-CG 3.22Å; S708-Q712 WeakPolarHBondContact O-CG 3.36Å; S708-Q712 PolarHBondContact O-N 3.38Å; Q712-H715 CarbonylContact O-C 3.49Å; Q712-H715 PolarHBondContact O-N 2.79Å; Q712-Q716 WeakPolarHBondContact O-CA 3.47Å; Q712-Q716 WeakPolarHBondContact O-CB 3.2Å; Q712-Q716 WeakPolarHBondContact O-CG 3.31Å; Q712-Q716 PolarHBondContact O-N 3.15Å |
| 713 | L | 73.9 | Confident | 72.7 | Confident | 71 Ų | 71 | 95.4 Ų | 95.4 | 37% | 0.372 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -80 | -27.7 | 176.3 | -171.1 | 66.2 | 0 | 0 | 0 | 111.9 | S709 F717 | S709-L713 WeakPolarHBondContact O-CA 3.31Å; S709-L713 WeakPolarHBondContact O-CB 3.34Å; S709-L713 PolarHBondContact O-N 2.75Å; L713-F717 HydrophobicContact CD1-CD2 4.36Å; L713-F717 HydrophobicContact CD1-CE1 4.32Å; L713-F717 HydrophobicContact CD1-CE2 3.95Å; L713-F717 HydrophobicContact CD1-CZ 3.93Å; L713-F717 HydrophobicContact CD2-CE2 3.87Å; L713-F717 HydrophobicContact CD2-CZ 4.36Å; L713-F717 HydrophobicContact CG-CD2 3.87Å; L713-F717 HydrophobicContact CG-CE2 3.57Å; L713-F717 HydrophobicContact CG-CZ 4.07Å; L713-F717 WeakPolarHBondContact O-CA 3.43Å; L713-F717 WeakPolarHBondContact O-CB 3.43Å; L713-F717 WeakPolarHBondContact O-CD2 3.36Å; L713-F717 WeakPolarHBondContact O-CG 3.27Å; L713-F717 PolarHBondContact O-N 2.8Å |
| 714 | Q | 72.3 | Confident | 72.6 | Confident | 116 Ų | 116 | 94.7 Ų | 94.7 | 54% | 0.542 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -75.8 | -29.4 | 167.1 | -80.4 | 176.5 | -7.2 | 0 | 0 | 111.4 | L710 F717 S718 | L710-Q714 HydrophobicContact CG-CG 4.46Å; L710-Q714 WeakPolarHBondContact O-CA 3.39Å; L710-Q714 WeakPolarHBondContact O-CB 3.47Å; L710-Q714 WeakPolarHBondContact O-CG 3.38Å; L710-Q714 PolarHBondContact O-N 3.38Å; Q714-F717 CarbonylContact O-C 3.54Å; Q714-S718 WeakPolarHBondContact O-CA 3.27Å; Q714-S718 WeakPolarHBondContact O-CB 3.41Å; Q714-S718 PolarHBondContact O-N 3Å; Q714-S718 PolarHBondContact O-OG 3.27Å |
| 715 | H | 74.1 | Confident | 72.5 | Confident | 105 Ų | 105 | 99.9 Ų | 99.9 | 49% | 0.486 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -78.3 | -35.9 | 172.7 | -167.7 | 44.5 | 0 | 0 | 0 | 110.9 | Q711 Q712 S718 Q719 | Q711-H715 WeakPolarHBondContact O-CA 3.39Å; Q711-H715 WeakPolarHBondContact O-CB 3.34Å; Q711-H715 PolarHBondContact O-N 3.34Å; Q712-H715 CarbonylContact O-C 3.49Å; Q712-H715 PolarHBondContact O-N 2.79Å; H715-S718 WeakPolarHBondContact CA-OG 3.29Å; H715-S718 PolarHBondContact ND1-OG 3.03Å; H715-S718 PolarHBondContact O-N 2.99Å; H715-S718 PolarHBondContact O-OG 2.85Å; H715-Q719 PolarHBondContact CD2-NE2 3.08Å; H715-Q719 PolarHBondContact NE2-NE2 3.48Å; H715-Q719 WeakPolarHBondContact O-CA 3.41Å; H715-Q719 WeakPolarHBondContact O-CB 3.22Å; H715-Q719 WeakPolarHBondContact O-CG 3.35Å; H715-Q719 PolarHBondContact O-N 3.37Å |
| 716 | Q | 72.4 | Confident | 72.4 | Confident | 100 Ų | 100 | 100.5 Ų | 100.5 | 47% | 0.467 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.8 | -39.2 | 168 | -75.9 | 165.3 | -14.4 | 0 | 0 | 110.2 | Q712 S718 Q719 E720 | Q712-Q716 WeakPolarHBondContact O-CA 3.47Å; Q712-Q716 WeakPolarHBondContact O-CB 3.2Å; Q712-Q716 WeakPolarHBondContact O-CG 3.31Å; Q712-Q716 PolarHBondContact O-N 3.15Å; Q716-S718 VanDerWaalsContact C-N 3.33Å; Q716-S718 PolarHBondContact O-N 2.86Å; Q716-Q719 CarbonylContact O-C 3.59Å; Q716-E720 WeakPolarHBondContact O-CA 3.45Å; Q716-E720 WeakPolarHBondContact O-CB 3.29Å; Q716-E720 WeakPolarHBondContact O-CG 3.27Å; Q716-E720 PolarHBondContact O-N 3.24Å |
| 717 | F | 68.3 | Low | 72.5 | Confident | 110 Ų | 110 | 100.5 Ų | 100.5 | 48% | 0.482 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -75.6 | -16.3 | 171.1 | -71 | -36.3 | 0 | 0 | 0 | 113.4 | L713 Q714 E720 R721 | L713-F717 HydrophobicContact CD1-CD2 4.36Å; L713-F717 HydrophobicContact CD1-CE1 4.32Å; L713-F717 HydrophobicContact CD1-CE2 3.95Å; L713-F717 HydrophobicContact CD1-CZ 3.93Å; L713-F717 HydrophobicContact CD2-CE2 3.87Å; L713-F717 HydrophobicContact CD2-CZ 4.36Å; L713-F717 HydrophobicContact CG-CD2 3.87Å; L713-F717 HydrophobicContact CG-CE2 3.57Å; L713-F717 HydrophobicContact CG-CZ 4.07Å; L713-F717 WeakPolarHBondContact O-CA 3.43Å; L713-F717 WeakPolarHBondContact O-CB 3.43Å; L713-F717 WeakPolarHBondContact O-CD2 3.36Å; L713-F717 WeakPolarHBondContact O-CG 3.27Å; L713-F717 PolarHBondContact O-N 2.8Å; Q714-F717 CarbonylContact O-C 3.54Å; F717-E720 WeakPolarHBondContact CD1-OE2 3.48Å; F717-R721 WeakPolarHBondContact O-CB 3.25Å; F717-R721 WeakPolarHBondContact O-CD 3.31Å; F717-R721 WeakPolarHBondContact O-CG 3.26Å; F717-R721 PolarHBondContact O-N 3.35Å |
| 718 | S | 71.5 | Confident | 72.2 | Confident | 36 Ų | 36 | 101 Ų | 101 | 25% | 0.252 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -83 | -44.9 | 169 | 79.5 | 0 | 0 | 0 | 0 | 110 | Q714 H715 Q716 E720 R721 E722 | Q714-S718 WeakPolarHBondContact O-CA 3.27Å; Q714-S718 WeakPolarHBondContact O-CB 3.41Å; Q714-S718 PolarHBondContact O-N 3Å; Q714-S718 PolarHBondContact O-OG 3.27Å; H715-S718 WeakPolarHBondContact CA-OG 3.29Å; H715-S718 PolarHBondContact ND1-OG 3.03Å; H715-S718 PolarHBondContact O-N 2.99Å; H715-S718 PolarHBondContact O-OG 2.85Å; Q716-S718 VanDerWaalsContact C-N 3.33Å; Q716-S718 PolarHBondContact O-N 2.86Å; S718-E720 VanDerWaalsContact C-N 3.33Å; S718-R721 CarbonylContact O-C 3.56Å; S718-R721 PolarHBondContact O-N 2.78Å; S718-R721 VanDerWaalsContact O-N 3.16Å; S718-E722 VanDerWaalsContact O-CB 3.27Å; S718-E722 WeakPolarHBondContact O-CB 3.42Å; S718-E722 WeakPolarHBondContact O-CG 3.37Å; S718-E722 PolarHBondContact O-N 3.22Å |
| 719 | Q | 70.9 | Confident | 72.2 | Confident | 98 Ų | 98 | 103.2 Ų | 103.2 | 46% | 0.458 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -35 | 171.7 | -73.6 | 174.9 | -7.8 | 0 | 0 | 111.5 | H715 Q716 H723 | H715-Q719 PolarHBondContact CD2-NE2 3.08Å; H715-Q719 PolarHBondContact NE2-NE2 3.48Å; H715-Q719 WeakPolarHBondContact O-CA 3.41Å; H715-Q719 WeakPolarHBondContact O-CB 3.22Å; H715-Q719 WeakPolarHBondContact O-CG 3.35Å; H715-Q719 PolarHBondContact O-N 3.37Å; Q716-Q719 CarbonylContact O-C 3.59Å; Q719-H723 WeakPolarHBondContact O-CA 3.37Å; Q719-H723 WeakPolarHBondContact O-CB 3.26Å; Q719-H723 PolarHBondContact O-N 3.42Å |
| 720 | E | 70.9 | Confident | 72.1 | Confident | 98 Ų | 98 | 105.3 Ų | 105.3 | 46% | 0.458 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -79.9 | -28.1 | 171 | -75.7 | 179.5 | 176.3 | 0 | 0 | 110.7 | Q716 F717 S718 E722 L724 | Q716-E720 WeakPolarHBondContact O-CA 3.45Å; Q716-E720 WeakPolarHBondContact O-CB 3.29Å; Q716-E720 WeakPolarHBondContact O-CG 3.27Å; Q716-E720 PolarHBondContact O-N 3.24Å; F717-E720 WeakPolarHBondContact CD1-OE2 3.48Å; S718-E720 VanDerWaalsContact C-N 3.33Å; E720-E722 VanDerWaalsContact C-N 3.33Å; E720-L724 VanDerWaalsContact O-CA 3.26Å; E720-L724 WeakPolarHBondContact O-CA 3.14Å; E720-L724 WeakPolarHBondContact O-CB 3.39Å; E720-L724 WeakPolarHBondContact O-CD1 3.14Å; E720-L724 WeakPolarHBondContact O-CG 3.19Å; E720-L724 PolarHBondContact O-N 2.86Å |
| 721 | R | 70 | Confident | 71.9 | Confident | 170 Ų | 170 | 104.9 Ų | 104.9 | 64% | 0.642 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -75.1 | -23.2 | 167.9 | -84.6 | 173.2 | 51.5 | -151.2 | -13.4 | 113.2 | F717 S718 R725 | F717-R721 WeakPolarHBondContact O-CB 3.25Å; F717-R721 WeakPolarHBondContact O-CD 3.31Å; F717-R721 WeakPolarHBondContact O-CG 3.26Å; F717-R721 PolarHBondContact O-N 3.35Å; S718-R721 CarbonylContact O-C 3.56Å; S718-R721 PolarHBondContact O-N 2.78Å; S718-R721 VanDerWaalsContact O-N 3.16Å; R721-R725 WeakPolarHBondContact O-CB 3.44Å; R721-R725 WeakPolarHBondContact O-CG 3.44Å; R721-R725 PolarHBondContact O-N 2.75Å |
| 722 | E | 70.4 | Confident | 71.8 | Confident | 122 Ų | 122 | 104.5 Ų | 104.5 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -90.6 | -32.6 | 175.3 | -73.5 | -177.8 | 137.1 | 0 | 0 | 111 | S718 E720 R725 M726 | S718-E722 VanDerWaalsContact O-CB 3.27Å; S718-E722 WeakPolarHBondContact O-CB 3.42Å; S718-E722 WeakPolarHBondContact O-CG 3.37Å; S718-E722 PolarHBondContact O-N 3.22Å; E720-E722 VanDerWaalsContact C-N 3.33Å; E722-R725 PolarHBondContact O-N 3.44Å; E722-M726 VanDerWaalsContact O-CB 3.23Å; E722-M726 WeakPolarHBondContact O-CB 3.3Å; E722-M726 WeakPolarHBondContact O-CG 3.46Å; E722-M726 PolarHBondContact O-N 2.89Å |
| 723 | H | 73.1 | Confident | 71.6 | Confident | 105 Ų | 105 | 101.1 Ų | 101.1 | 49% | 0.486 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -79.8 | -30.3 | 170 | -170 | 51.6 | 0 | 0 | 0 | 111.4 | Q719 Q727 | Q719-H723 WeakPolarHBondContact O-CA 3.37Å; Q719-H723 WeakPolarHBondContact O-CB 3.26Å; Q719-H723 PolarHBondContact O-N 3.42Å; H723-Q727 PolarHBondContact CD2-NE2 3.29Å; H723-Q727 VanDerWaalsContact CD2-NE2 3.28Å; H723-Q727 PolarHBondContact NE2-NE2 2.89Å; H723-Q727 WeakPolarHBondContact O-CA 3.4Å; H723-Q727 WeakPolarHBondContact O-CB 3.3Å; H723-Q727 WeakPolarHBondContact O-CG 3.34Å; H723-Q727 PolarHBondContact O-N 3.37Å |
| 724 | L | 71.7 | Confident | 71.4 | Confident | 87 Ų | 87 | 101.4 Ų | 101.4 | 46% | 0.455 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -81.1 | -17.3 | 164.3 | -64.5 | 165.5 | 0 | 0 | 0 | 111.9 | E720 L728 | E720-L724 VanDerWaalsContact O-CA 3.26Å; E720-L724 WeakPolarHBondContact O-CA 3.14Å; E720-L724 WeakPolarHBondContact O-CB 3.39Å; E720-L724 WeakPolarHBondContact O-CD1 3.14Å; E720-L724 WeakPolarHBondContact O-CG 3.19Å; E720-L724 PolarHBondContact O-N 2.86Å; L724-L728 WeakPolarHBondContact O-CA 3.38Å; L724-L728 WeakPolarHBondContact O-CB 3.26Å; L724-L728 VanDerWaalsContact O-CD1 3.31Å; L724-L728 WeakPolarHBondContact O-CD1 3.17Å; L724-L728 WeakPolarHBondContact O-CG 3.47Å; L724-L728 PolarHBondContact O-N 3.38Å |
| 725 | R | 75.6 | Confident | 71.3 | Confident | 169 Ų | 169 | 101.5 Ų | 101.5 | 64% | 0.638 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -78.1 | -42.6 | 164.4 | -94.8 | 178 | 160.1 | -178.5 | -7.2 | 111.5 | R721 E722 L728 D729 | R721-R725 WeakPolarHBondContact O-CB 3.44Å; R721-R725 WeakPolarHBondContact O-CG 3.44Å; R721-R725 PolarHBondContact O-N 2.75Å; E722-R725 PolarHBondContact O-N 3.44Å; R725-L728 CarbonylContact O-C 3.38Å; R725-L728 PolarHBondContact O-N 3.32Å; R725-L728 VanDerWaalsContact O-N 3.17Å; R725-D729 WeakPolarHBondContact O-CB 3.42Å; R725-D729 PolarHBondContact O-N 3.21Å |
| 726 | M | 71.3 | Confident | 70.9 | Confident | 115 Ų | 115 | 101 Ų | 101 | 57% | 0.567 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -67.6 | -43.5 | 173.7 | -74.5 | 178.5 | 65.5 | 0 | 0 | 109.9 | E722 L728 D729 E730 | E722-M726 VanDerWaalsContact O-CB 3.23Å; E722-M726 WeakPolarHBondContact O-CB 3.3Å; E722-M726 WeakPolarHBondContact O-CG 3.46Å; E722-M726 PolarHBondContact O-N 2.89Å; M726-L728 VanDerWaalsContact C-N 3.32Å; M726-L728 PolarHBondContact O-N 2.9Å; M726-D729 PolarHBondContact O-N 2.7Å; M726-E730 WeakPolarHBondContact O-CA 3.43Å; M726-E730 WeakPolarHBondContact O-CB 3.22Å; M726-E730 WeakPolarHBondContact O-CG 3.41Å; M726-E730 PolarHBondContact O-N 3.38Å |
| 727 | Q | 70.4 | Confident | 70.8 | Confident | 67 Ų | 67 | 103.1 Ų | 103.1 | 31% | 0.313 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.3 | -24.5 | 168.1 | -71.4 | 178.4 | 17.9 | 0 | 0 | 112.2 | H723 L731 | H723-Q727 PolarHBondContact CD2-NE2 3.29Å; H723-Q727 VanDerWaalsContact CD2-NE2 3.28Å; H723-Q727 PolarHBondContact NE2-NE2 2.89Å; H723-Q727 WeakPolarHBondContact O-CA 3.4Å; H723-Q727 WeakPolarHBondContact O-CB 3.3Å; H723-Q727 WeakPolarHBondContact O-CG 3.34Å; H723-Q727 PolarHBondContact O-N 3.37Å; Q727-L731 VanDerWaalsContact O-CA 3.27Å; Q727-L731 WeakPolarHBondContact O-CA 3.43Å; Q727-L731 WeakPolarHBondContact O-CB 3.47Å; Q727-L731 WeakPolarHBondContact O-CD1 3.49Å; Q727-L731 WeakPolarHBondContact O-CG 3.41Å; Q727-L731 PolarHBondContact O-N 2.84Å |
| 728 | L | 70.8 | Confident | 70.8 | Confident | 111 Ų | 111 | 103.1 Ų | 103.1 | 58% | 0.581 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -81.8 | -26.5 | 171.2 | -79.8 | 167.5 | 0 | 0 | 0 | 112.6 | L724 R725 M726 Q732 | L724-L728 WeakPolarHBondContact O-CA 3.38Å; L724-L728 WeakPolarHBondContact O-CB 3.26Å; L724-L728 VanDerWaalsContact O-CD1 3.31Å; L724-L728 WeakPolarHBondContact O-CD1 3.17Å; L724-L728 WeakPolarHBondContact O-CG 3.47Å; L724-L728 PolarHBondContact O-N 3.38Å; R725-L728 CarbonylContact O-C 3.38Å; R725-L728 PolarHBondContact O-N 3.32Å; R725-L728 VanDerWaalsContact O-N 3.17Å; M726-L728 VanDerWaalsContact C-N 3.32Å; M726-L728 PolarHBondContact O-N 2.9Å; L728-Q732 VanDerWaalsContact O-CA 3.31Å; L728-Q732 WeakPolarHBondContact O-CA 3.3Å; L728-Q732 WeakPolarHBondContact O-CB 3.24Å; L728-Q732 PolarHBondContact O-N 2.7Å |
| 729 | D | 72.1 | Confident | 70.6 | Confident | 95 Ų | 95 | 105.9 Ų | 105.9 | 51% | 0.508 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -83.8 | -31.4 | 171 | -92.3 | -32.1 | 0 | 0 | 0 | 111.3 | R725 M726 Q732 T733 | R725-D729 WeakPolarHBondContact O-CB 3.42Å; R725-D729 PolarHBondContact O-N 3.21Å; M726-D729 PolarHBondContact O-N 2.7Å; D729-Q732 PolarHBondContact O-N 2.74Å; D729-T733 WeakPolarHBondContact O-CA 3.36Å; D729-T733 VanDerWaalsContact O-CB 3.23Å; D729-T733 WeakPolarHBondContact O-CB 3.47Å; D729-T733 VanDerWaalsContact O-CG2 3.24Å; D729-T733 WeakPolarHBondContact O-CG2 3.31Å; D729-T733 PolarHBondContact O-N 3.23Å; D729-T733 PolarHBondContact O-OG1 2.76Å |
| 730 | E | 72.9 | Confident | 70.2 | Confident | 109 Ų | 109 | 106.8 Ų | 106.8 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -75.3 | -39.2 | 169.1 | -71.2 | 178.7 | 155.3 | 0 | 0 | 110.2 | M726 E734 | M726-E730 WeakPolarHBondContact O-CA 3.43Å; M726-E730 WeakPolarHBondContact O-CB 3.22Å; M726-E730 WeakPolarHBondContact O-CG 3.41Å; M726-E730 PolarHBondContact O-N 3.38Å; E730-E734 VanDerWaalsContact O-CA 3.27Å; E730-E734 WeakPolarHBondContact O-CA 3.31Å; E730-E734 WeakPolarHBondContact O-CB 3.31Å; E730-E734 WeakPolarHBondContact O-CG 3.15Å; E730-E734 PolarHBondContact O-N 2.94Å |
| 731 | L | 70.9 | Confident | 70.3 | Confident | 82 Ų | 82 | 109.9 Ų | 109.9 | 43% | 0.429 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -75.1 | -22.1 | 167.1 | -67.6 | 167.9 | 0 | 0 | 0 | 111.9 | Q727 H735 | Q727-L731 VanDerWaalsContact O-CA 3.27Å; Q727-L731 WeakPolarHBondContact O-CA 3.43Å; Q727-L731 WeakPolarHBondContact O-CB 3.47Å; Q727-L731 WeakPolarHBondContact O-CD1 3.49Å; Q727-L731 WeakPolarHBondContact O-CG 3.41Å; Q727-L731 PolarHBondContact O-N 2.84Å; L731-H735 VanDerWaalsContact O-CA 3.24Å; L731-H735 WeakPolarHBondContact O-CA 3.36Å; L731-H735 WeakPolarHBondContact O-CB 3.46Å; L731-H735 PolarHBondContact O-N 3.27Å |
| 732 | Q | 71.9 | Confident | 70.2 | Confident | 105 Ų | 105 | 107.3 Ų | 107.3 | 49% | 0.491 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -82.8 | -33.6 | 173.5 | -178.8 | 170.3 | -91.6 | 0 | 0 | 111 | L728 D729 Q736 | L728-Q732 VanDerWaalsContact O-CA 3.31Å; L728-Q732 WeakPolarHBondContact O-CA 3.3Å; L728-Q732 WeakPolarHBondContact O-CB 3.24Å; L728-Q732 PolarHBondContact O-N 2.7Å; D729-Q732 PolarHBondContact O-N 2.74Å; Q732-Q736 WeakPolarHBondContact O-CB 3.24Å; Q732-Q736 VanDerWaalsContact O-CD 3.3Å; Q732-Q736 WeakPolarHBondContact O-CG 3.34Å; Q732-Q736 PolarHBondContact O-N 2.78Å |
| 733 | T | 68.8 | Low | 70 | Confident | 52 Ų | 52 | 107.4 Ų | 107.4 | 32% | 0.319 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -82 | -32 | 171.5 | 59.9 | 0 | 0 | 0 | 0 | 112.2 | D729 R737 | D729-T733 WeakPolarHBondContact O-CA 3.36Å; D729-T733 VanDerWaalsContact O-CB 3.23Å; D729-T733 WeakPolarHBondContact O-CB 3.47Å; D729-T733 VanDerWaalsContact O-CG2 3.24Å; D729-T733 WeakPolarHBondContact O-CG2 3.31Å; D729-T733 PolarHBondContact O-N 3.23Å; D729-T733 PolarHBondContact O-OG1 2.76Å; T733-R737 WeakPolarHBondContact O-CB 3.29Å; T733-R737 VanDerWaalsContact O-CD 3.29Å; T733-R737 WeakPolarHBondContact O-CD 3.37Å; T733-R737 WeakPolarHBondContact O-CG 3.49Å; T733-R737 PolarHBondContact O-N 3.16Å |
| 734 | E | 69.9 | Low | 69.6 | Low | 78 Ų | 78 | 107.5 Ų | 107.5 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.9 | -32.5 | 164.3 | -76.5 | -149.7 | 112 | 0 | 0 | 111.4 | E730 R738 | E730-E734 VanDerWaalsContact O-CA 3.27Å; E730-E734 WeakPolarHBondContact O-CA 3.31Å; E730-E734 WeakPolarHBondContact O-CB 3.31Å; E730-E734 WeakPolarHBondContact O-CG 3.15Å; E730-E734 PolarHBondContact O-N 2.94Å; E734-R738 VanDerWaalsContact O-CA 3.31Å; E734-R738 WeakPolarHBondContact O-CA 3.25Å; E734-R738 WeakPolarHBondContact O-CB 3.43Å; E734-R738 WeakPolarHBondContact O-CG 3.47Å; E734-R738 PolarHBondContact O-N 3.15Å; E734-R738 IonicContact OE1-CZ 3.24Å; E734-R738 IonicContact OE1-NH1 3.88Å; E734-R738 IonicContact OE1-NH2 2.71Å; E734-R738 PolarHBondContact OE1-NH2 2.96Å; E734-R738 IonicContact OE2-CZ 2.86Å; E734-R738 IonicContact OE2-NH1 3.55Å; E734-R738 PolarHBondContact OE2-NH1 3.48Å; E734-R738 IonicContact OE2-NH2 3.03Å; E734-R738 PolarHBondContact OE2-NH2 3.32Å |
| 735 | H | 68.9 | Low | 69.4 | Low | 117 Ų | 117 | 106.2 Ų | 106.2 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -77.8 | -31.9 | 173.7 | -164.8 | 99 | 0 | 0 | 0 | 110.2 | L731 R738 Q739 | L731-H735 VanDerWaalsContact O-CA 3.24Å; L731-H735 WeakPolarHBondContact O-CA 3.36Å; L731-H735 WeakPolarHBondContact O-CB 3.46Å; L731-H735 PolarHBondContact O-N 3.27Å; H735-R738 CarbonylContact O-C 3.41Å; H735-Q739 WeakPolarHBondContact O-CA 3.16Å; H735-Q739 WeakPolarHBondContact O-CB 3.3Å; H735-Q739 PolarHBondContact O-N 3.49Å |
| 736 | Q | 65.9 | Low | 69 | Low | 96 Ų | 96 | 104 Ų | 104 | 45% | 0.449 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.3 | -43.3 | 167.7 | -75.2 | 162.9 | 5.7 | 0 | 0 | 111.2 | Q732 Q739 Q740 | Q732-Q736 WeakPolarHBondContact O-CB 3.24Å; Q732-Q736 VanDerWaalsContact O-CD 3.3Å; Q732-Q736 WeakPolarHBondContact O-CG 3.34Å; Q732-Q736 PolarHBondContact O-N 2.78Å; Q736-Q739 PolarHBondContact O-N 3.27Å; Q736-Q740 WeakPolarHBondContact O-CB 3.34Å; Q736-Q740 VanDerWaalsContact O-CG 3.28Å; Q736-Q740 WeakPolarHBondContact O-CG 3.5Å; Q736-Q740 PolarHBondContact O-N 3.09Å |
| 737 | R | 71.8 | Confident | 68.8 | Low | 144 Ų | 144 | 105.6 Ų | 105.6 | 54% | 0.543 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.3 | -35.6 | 174.1 | -71.7 | 164.3 | -179 | 164.1 | 0.7 | 112.5 | T733 R741 | T733-R737 WeakPolarHBondContact O-CB 3.29Å; T733-R737 VanDerWaalsContact O-CD 3.29Å; T733-R737 WeakPolarHBondContact O-CD 3.37Å; T733-R737 WeakPolarHBondContact O-CG 3.49Å; T733-R737 PolarHBondContact O-N 3.16Å; R737-R741 WeakPolarHBondContact O-CB 3.29Å; R737-R741 WeakPolarHBondContact O-CD 3.03Å; R737-R741 WeakPolarHBondContact O-CG 3.25Å; R737-R741 PolarHBondContact O-N 3.37Å |
| 738 | R | 66.5 | Low | 68.6 | Low | 110 Ų | 110 | 105.4 Ų | 105.4 | 42% | 0.415 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -75.2 | -27.2 | 172.5 | -76.7 | 178.9 | -176.6 | 109.6 | 12.9 | 110.9 | E734 H735 L742 | E734-R738 VanDerWaalsContact O-CA 3.31Å; E734-R738 WeakPolarHBondContact O-CA 3.25Å; E734-R738 WeakPolarHBondContact O-CB 3.43Å; E734-R738 WeakPolarHBondContact O-CG 3.47Å; E734-R738 PolarHBondContact O-N 3.15Å; E734-R738 IonicContact OE1-CZ 3.24Å; E734-R738 IonicContact OE1-NH1 3.88Å; E734-R738 IonicContact OE1-NH2 2.71Å; E734-R738 PolarHBondContact OE1-NH2 2.96Å; E734-R738 IonicContact OE2-CZ 2.86Å; E734-R738 IonicContact OE2-NH1 3.55Å; E734-R738 PolarHBondContact OE2-NH1 3.48Å; E734-R738 IonicContact OE2-NH2 3.03Å; E734-R738 PolarHBondContact OE2-NH2 3.32Å; H735-R738 CarbonylContact O-C 3.41Å; R738-L742 WeakPolarHBondContact O-CA 3.21Å; R738-L742 WeakPolarHBondContact O-CB 3.48Å; R738-L742 WeakPolarHBondContact O-CD1 3.37Å; R738-L742 PolarHBondContact O-N 2.98Å |
| 739 | Q | 68.3 | Low | 68.4 | Low | 93 Ų | 93 | 102.5 Ų | 102.5 | 44% | 0.435 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -81.7 | -34.1 | 176.7 | -176 | 175.2 | 40.3 | 0 | 0 | 110.5 | H735 Q736 Q743 | H735-Q739 WeakPolarHBondContact O-CA 3.16Å; H735-Q739 WeakPolarHBondContact O-CB 3.3Å; H735-Q739 PolarHBondContact O-N 3.49Å; Q736-Q739 PolarHBondContact O-N 3.27Å; Q739-Q743 WeakPolarHBondContact O-CB 3.48Å; Q739-Q743 WeakPolarHBondContact O-CG 3.46Å; Q739-Q743 PolarHBondContact O-N 2.76Å |
| 740 | Q | 63.3 | Low | 68 | Low | 118 Ų | 118 | 101.5 Ų | 101.5 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.7 | -52.3 | 164.8 | -73.7 | 170.8 | -14.3 | 0 | 0 | 110.4 | Q736 L742 Q743 E744 | Q736-Q740 WeakPolarHBondContact O-CB 3.34Å; Q736-Q740 VanDerWaalsContact O-CG 3.28Å; Q736-Q740 WeakPolarHBondContact O-CG 3.5Å; Q736-Q740 PolarHBondContact O-N 3.09Å; Q740-L742 VanDerWaalsContact C-N 3.3Å; Q740-L742 PolarHBondContact O-N 3.39Å; Q740-Q743 PolarHBondContact O-N 3.29Å; Q740-Q743 VanDerWaalsContact O-N 3.1Å; Q740-E744 WeakPolarHBondContact O-CB 3.49Å; Q740-E744 WeakPolarHBondContact O-CG 3.37Å; Q740-E744 PolarHBondContact O-N 2.77Å |
| 741 | R | 71.8 | Confident | 67.2 | Low | 163 Ų | 163 | 101.9 Ų | 101.9 | 62% | 0.615 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.1 | -30.4 | 175.5 | -70.9 | 167.4 | -178.2 | 174.1 | -0.8 | 113.1 | R737 A745 | R737-R741 WeakPolarHBondContact O-CB 3.29Å; R737-R741 WeakPolarHBondContact O-CD 3.03Å; R737-R741 WeakPolarHBondContact O-CG 3.25Å; R737-R741 PolarHBondContact O-N 3.37Å; R741-A745 WeakPolarHBondContact O-CA 3.4Å; R741-A745 WeakPolarHBondContact O-CB 3.44Å; R741-A745 PolarHBondContact O-N 2.78Å |
| 742 | L | 67.9 | Low | 67 | Low | 116 Ų | 116 | 103.3 Ų | 103.3 | 61% | 0.607 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -73.4 | -45.6 | 169.7 | -101.3 | 64.5 | 0 | 0 | 0 | 109.8 | R738 Q740 E744 A745 H746 | R738-L742 WeakPolarHBondContact O-CA 3.21Å; R738-L742 WeakPolarHBondContact O-CB 3.48Å; R738-L742 WeakPolarHBondContact O-CD1 3.37Å; R738-L742 PolarHBondContact O-N 2.98Å; Q740-L742 VanDerWaalsContact C-N 3.3Å; Q740-L742 PolarHBondContact O-N 3.39Å; L742-E744 PolarHBondContact O-N 3.45Å; L742-A745 PolarHBondContact O-N 2.77Å; L742-H746 VanDerWaalsContact O-CA 3.3Å; L742-H746 WeakPolarHBondContact O-CA 3.31Å; L742-H746 WeakPolarHBondContact O-CB 3.48Å; L742-H746 PolarHBondContact O-N 3.17Å |
| 743 | Q | 66.3 | Low | 66.1 | Low | 123 Ų | 123 | 103.6 Ų | 103.6 | 58% | 0.575 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.8 | -34.9 | 178 | -77.5 | 163.8 | -5.1 | 0 | 0 | 111.4 | Q739 Q740 R747 | Q739-Q743 WeakPolarHBondContact O-CB 3.48Å; Q739-Q743 WeakPolarHBondContact O-CG 3.46Å; Q739-Q743 PolarHBondContact O-N 2.76Å; Q740-Q743 PolarHBondContact O-N 3.29Å; Q740-Q743 VanDerWaalsContact O-N 3.1Å; Q743-R747 WeakPolarHBondContact O-CB 3.37Å; Q743-R747 PolarHBondContact O-N 3.43Å |
| 744 | E | 65.6 | Low | 65.7 | Low | 108 Ų | 108 | 105.8 Ų | 105.8 | 51% | 0.505 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -79.6 | -49 | 175.6 | -65.8 | -177.5 | 133 | 0 | 0 | 112.8 | Q740 L742 R747 C748 | Q740-E744 WeakPolarHBondContact O-CB 3.49Å; Q740-E744 WeakPolarHBondContact O-CG 3.37Å; Q740-E744 PolarHBondContact O-N 2.77Å; L742-E744 PolarHBondContact O-N 3.45Å; E744-R747 PolarHBondContact O-N 2.8Å; E744-C748 PolarHBondContact O-N 2.81Å; E744-C748 PolarHBondContact O-SG 2.98Å |
| 745 | A | 67.7 | Low | 65.1 | Low | 60 Ų | 60 | 108.4 Ų | 108.4 | 50% | 0.496 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -73.4 | -27.8 | 180 | 0 | 0 | 0 | 0 | 0 | 113.5 | R741 L742 A749 | R741-A745 WeakPolarHBondContact O-CA 3.4Å; R741-A745 WeakPolarHBondContact O-CB 3.44Å; R741-A745 PolarHBondContact O-N 2.78Å; L742-A745 PolarHBondContact O-N 2.77Å; A745-A749 WeakPolarHBondContact O-CA 3.39Å; A745-A749 WeakPolarHBondContact O-CB 3.24Å; A745-A749 PolarHBondContact O-N 3.42Å |
| 746 | H | 66.3 | Low | 64.7 | Low | 121 Ų | 121 | 105.1 Ų | 105.1 | 56% | 0.56 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -74.7 | -39.6 | 171.1 | -171.5 | 42.1 | 0 | 0 | 0 | 109.9 | L742 C748 M750 | L742-H746 VanDerWaalsContact O-CA 3.3Å; L742-H746 WeakPolarHBondContact O-CA 3.31Å; L742-H746 WeakPolarHBondContact O-CB 3.48Å; L742-H746 PolarHBondContact O-N 3.17Å; H746-C748 PolarHBondContact O-N 2.84Å; H746-M750 VanDerWaalsContact CE1-CG 3.43Å; H746-M750 WeakPolarHBondContact CE1-CG 3.14Å; H746-M750 VanDerWaalsContact CE1-SD 3.52Å; H746-M750 VanDerWaalsContact ND1-CG 3.28Å; H746-M750 WeakPolarHBondContact ND1-CG 3.22Å; H746-M750 WeakPolarHBondContact O-CB 3.44Å; H746-M750 WeakPolarHBondContact O-CG 3.47Å; H746-M750 PolarHBondContact O-N 3.19Å |
| 747 | R | 67.4 | Low | 64.5 | Low | 149 Ų | 149 | 106.1 Ų | 106.1 | 56% | 0.562 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57.3 | -48 | 171 | 177.2 | 177.9 | 63.1 | 172.6 | -4.7 | 111.2 | Q743 E744 Q751 | Q743-R747 WeakPolarHBondContact O-CB 3.37Å; Q743-R747 PolarHBondContact O-N 3.43Å; E744-R747 PolarHBondContact O-N 2.8Å; R747-Q751 WeakPolarHBondContact O-CB 3.14Å; R747-Q751 WeakPolarHBondContact O-CG 3.33Å; R747-Q751 PolarHBondContact O-N 2.72Å; R747-Q751 PolarHBondContact O-OE1 2.9Å |
| 748 | C | 65.7 | Low | 63.9 | Low | 63 Ų | 63 | 104.9 Ų | 104.9 | 43% | 0.426 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.6 | -51.1 | 177.6 | -65.1 | 0 | 0 | 0 | 0 | 112.5 | E744 H746 M750 Q751 D752 | E744-C748 PolarHBondContact O-N 2.81Å; E744-C748 PolarHBondContact O-SG 2.98Å; H746-C748 PolarHBondContact O-N 2.84Å; C748-M750 VanDerWaalsContact C-N 3.33Å; C748-M750 PolarHBondContact O-N 3.13Å; C748-Q751 PolarHBondContact O-N 2.87Å; C748-Q751 VanDerWaalsContact O-N 3.11Å; C748-D752 PolarHBondContact O-N 3.17Å |
| 749 | A | 66.2 | Low | 63.6 | Low | 51 Ų | 51 | 106.8 Ų | 106.8 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.8 | -27.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | A745 M753 | A745-A749 WeakPolarHBondContact O-CA 3.39Å; A745-A749 WeakPolarHBondContact O-CB 3.24Å; A745-A749 PolarHBondContact O-N 3.42Å; A749-M753 WeakPolarHBondContact O-CB 3.35Å; A749-M753 WeakPolarHBondContact O-CG 3.46Å; A749-M753 PolarHBondContact O-N 3.17Å |
| 750 | M | 64.9 | Low | 63.4 | Low | 74 Ų | 74 | 107.3 Ų | 107.3 | 37% | 0.365 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.3 | -48.8 | 169 | -70.3 | -66.9 | -67.7 | 0 | 0 | 110.4 | H746 C748 D752 M753 E754 | H746-M750 VanDerWaalsContact CE1-CG 3.43Å; H746-M750 WeakPolarHBondContact CE1-CG 3.14Å; H746-M750 VanDerWaalsContact CE1-SD 3.52Å; H746-M750 VanDerWaalsContact ND1-CG 3.28Å; H746-M750 WeakPolarHBondContact ND1-CG 3.22Å; H746-M750 WeakPolarHBondContact O-CB 3.44Å; H746-M750 WeakPolarHBondContact O-CG 3.47Å; H746-M750 PolarHBondContact O-N 3.19Å; C748-M750 VanDerWaalsContact C-N 3.33Å; C748-M750 PolarHBondContact O-N 3.13Å; M750-D752 PolarHBondContact O-N 3.31Å; M750-M753 PolarHBondContact O-N 2.94Å; M750-E754 HydrophobicContact CE-CG 4.32Å; M750-E754 VanDerWaalsContact O-CB 3.31Å; M750-E754 WeakPolarHBondContact O-CB 3.33Å; M750-E754 WeakPolarHBondContact O-CG 3.47Å; M750-E754 PolarHBondContact O-N 3.39Å |
| 751 | Q | 55.3 | Low | 63.4 | Low | 117 Ų | 117 | 104.8 Ų | 104.8 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.8 | -33.6 | 178.8 | -73.7 | 178.6 | -38.2 | 0 | 0 | 112.6 | R747 C748 H755 | R747-Q751 WeakPolarHBondContact O-CB 3.14Å; R747-Q751 WeakPolarHBondContact O-CG 3.33Å; R747-Q751 PolarHBondContact O-N 2.72Å; R747-Q751 PolarHBondContact O-OE1 2.9Å; C748-Q751 PolarHBondContact O-N 2.87Å; C748-Q751 VanDerWaalsContact O-N 3.11Å; Q751-H755 WeakPolarHBondContact O-CB 3.3Å; Q751-H755 PolarHBondContact O-CD2 2.84Å |
| 752 | D | 65.9 | Low | 63.1 | Low | 112 Ų | 112 | 103.8 Ų | 103.8 | 60% | 0.599 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -88.8 | -40.8 | 178.3 | -64.4 | -36 | 0 | 0 | 0 | 113.8 | C748 M750 H755 A756 | C748-D752 PolarHBondContact O-N 3.17Å; M750-D752 PolarHBondContact O-N 3.31Å; D752-H755 PolarHBondContact O-N 3.29Å; D752-A756 PolarHBondContact O-N 3.1Å |
| 753 | M | 53.4 | Low | 62.8 | Low | 110 Ų | 110 | 103.2 Ų | 103.2 | 54% | 0.542 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71.4 | -34.7 | 179.8 | -81.2 | -73.9 | -71.4 | 0 | 0 | 113.3 | A749 M750 H755 R757 | A749-M753 WeakPolarHBondContact O-CB 3.35Å; A749-M753 WeakPolarHBondContact O-CG 3.46Å; A749-M753 PolarHBondContact O-N 3.17Å; M750-M753 PolarHBondContact O-N 2.94Å; M753-H755 PolarHBondContact O-N 2.86Å; M753-R757 HydrophobicContact CE-CB 4.49Å; M753-R757 HydrophobicContact SD-CB 4.16Å |
| 754 | E | 60 | Low | 62.7 | Low | 99 Ų | 99 | 102 Ų | 102 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -24 | 173.4 | -65.2 | -173.6 | 130 | 0 | 0 | 111.8 | M750 | M750-E754 HydrophobicContact CE-CG 4.32Å; M750-E754 VanDerWaalsContact O-CB 3.31Å; M750-E754 WeakPolarHBondContact O-CB 3.33Å; M750-E754 WeakPolarHBondContact O-CG 3.47Å; M750-E754 PolarHBondContact O-N 3.39Å |
| 755 | H | 57.6 | Low | 62.8 | Low | 132 Ų | 132 | 100.7 Ų | 100.7 | 61% | 0.611 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -9.8 | -176.8 | -74.3 | -15.2 | 0 | 0 | 0 | 116.3 | Q751 D752 M753 R759 | Q751-H755 WeakPolarHBondContact O-CB 3.3Å; Q751-H755 PolarHBondContact O-CD2 2.84Å; D752-H755 PolarHBondContact O-N 3.29Å; M753-H755 PolarHBondContact O-N 2.86Å; H755-R759 PolarHBondContact O-NH1 2.76Å; H755-R759 PolarHBondContact O-NH2 3.37Å |
| 756 | A | 62.2 | Low | 62.6 | Low | 49 Ų | 49 | 104.2 Ų | 104.2 | 41% | 0.405 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -76.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D752 Q758 R759 | D752-A756 PolarHBondContact O-N 3.1Å; A756-Q758 VanDerWaalsContact C-N 3.34Å; A756-Q758 PolarHBondContact O-N 2.96Å; A756-R759 PolarHBondContact O-N 2.79Å |
| 757 | R | 59.8 | Low | 62.6 | Low | 117 Ų | 117 | 105.8 Ų | 105.8 | 44% | 0.442 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -79.2 | -10.5 | -153.5 | -148.7 | 174.2 | 175.3 | 118.3 | -0.7 | 115.3 | M753 R759 L761 | M753-R757 HydrophobicContact CE-CB 4.49Å; M753-R757 HydrophobicContact SD-CB 4.16Å; R757-R759 PolarHBondContact O-N 3.47Å; R757-L761 HydrophobicContact CG-CB 4.42Å; R757-L761 HydrophobicContact CG-CD1 3.88Å; R757-L761 HydrophobicContact CG-CG 3.94Å; R757-L761 PolarHBondContact O-N 2.93Å; R757-L761 VanDerWaalsContact O-N 3.09Å |
| 758 | Q | 61 | Low | 62.6 | Low | 117 Ų | 117 | 102.9 Ų | 102.9 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -21 | 168.7 | -68.4 | -164.9 | 16.1 | 0 | 0 | 113.5 | A756 | A756-Q758 VanDerWaalsContact C-N 3.34Å; A756-Q758 PolarHBondContact O-N 2.96Å |
| 759 | R | 58.9 | Low | 62.9 | Low | 151 Ų | 151 | 106.9 Ų | 106.9 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -83.3 | -62 | 173.1 | -50.5 | -167.5 | -160.4 | 87.1 | 11.5 | 109.9 | H755 A756 R757 L761 K762 | H755-R759 PolarHBondContact O-NH1 2.76Å; H755-R759 PolarHBondContact O-NH2 3.37Å; A756-R759 PolarHBondContact O-N 2.79Å; R757-R759 PolarHBondContact O-N 3.47Å; R759-L761 PolarHBondContact O-N 2.77Å; R759-K762 PolarHBondContact O-N 2.69Å |
| 760 | D | 64.4 | Low | 62.8 | Low | 104 Ų | 104 | 111.7 Ų | 111.7 | 56% | 0.556 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.9 | -38 | -169.1 | -53.2 | -8.4 | 0 | 0 | 0 | 114.2 | K762 E763 L764 | D760-K762 PolarHBondContact O-N 3.4Å; D760-E763 PolarHBondContact O-N 2.78Å; D760-L764 WeakPolarHBondContact O-CB 3.49Å; D760-L764 PolarHBondContact O-N 3.05Å |
| 761 | L | 63.4 | Low | 63 | Low | 64 Ų | 64 | 113.4 Ų | 113.4 | 34% | 0.335 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70 | -32.1 | -177.6 | -97.6 | 171.5 | 0 | 0 | 0 | 112.9 | R757 R759 L764 E765 | R757-L761 HydrophobicContact CG-CB 4.42Å; R757-L761 HydrophobicContact CG-CD1 3.88Å; R757-L761 HydrophobicContact CG-CG 3.94Å; R757-L761 PolarHBondContact O-N 2.93Å; R757-L761 VanDerWaalsContact O-N 3.09Å; R759-L761 PolarHBondContact O-N 2.77Å; L761-L764 PolarHBondContact O-N 3.26Å; L761-E765 HydrophobicContact CD2-CG 4.01Å; L761-E765 VanDerWaalsContact O-CB 3.22Å; L761-E765 WeakPolarHBondContact O-CB 3.41Å; L761-E765 VanDerWaalsContact O-CG 3.24Å; L761-E765 WeakPolarHBondContact O-CG 3.48Å; L761-E765 PolarHBondContact O-N 2.91Å |
| 762 | K | 65.6 | Low | 63.3 | Low | 143 Ų | 143 | 112.4 Ų | 112.4 | 62% | 0.622 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.1 | -49.7 | 174.7 | -71.5 | -177.9 | 177.5 | 177 | 0 | 110.4 | R759 D760 L764 E766 | R759-K762 PolarHBondContact O-N 2.69Å; D760-K762 PolarHBondContact O-N 3.4Å; K762-L764 VanDerWaalsContact C-N 3.35Å; K762-L764 PolarHBondContact O-N 3.37Å; K762-E766 WeakPolarHBondContact O-CG 3.17Å; K762-E766 PolarHBondContact O-N 3.47Å |
| 763 | E | 60.8 | Low | 63.6 | Low | 104 Ų | 104 | 112.5 Ų | 112.5 | 49% | 0.486 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.9 | -38.6 | 177 | -81.7 | -159.5 | -147.7 | 0 | 0 | 113.5 | D760 R767 | D760-E763 PolarHBondContact O-N 2.78Å; E763-R767 WeakPolarHBondContact O-CD 3.13Å; E763-R767 VanDerWaalsContact O-CG 3.22Å; E763-R767 WeakPolarHBondContact O-CG 3.35Å; E763-R767 PolarHBondContact O-NE 3.24Å; E763-R767 IonicContact OE2-CZ 3.11Å; E763-R767 IonicContact OE2-NH1 3.22Å; E763-R767 PolarHBondContact OE2-NH1 3.43Å; E763-R767 IonicContact OE2-NH2 3.69Å; E763-R767 PolarHBondContact OE2-NH2 3.4Å |
| 764 | L | 64.8 | Low | 64.2 | Low | 98 Ų | 98 | 110 Ų | 110 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -79.2 | -40.1 | -178.6 | -150 | 81.3 | 0 | 0 | 0 | 112.4 | D760 L761 K762 R767 L768 | D760-L764 WeakPolarHBondContact O-CB 3.49Å; D760-L764 PolarHBondContact O-N 3.05Å; L761-L764 PolarHBondContact O-N 3.26Å; K762-L764 VanDerWaalsContact C-N 3.35Å; K762-L764 PolarHBondContact O-N 3.37Å; L764-R767 PolarHBondContact O-N 3.32Å; L764-L768 VanDerWaalsContact O-CB 3.31Å; L764-L768 WeakPolarHBondContact O-CB 3.5Å; L764-L768 PolarHBondContact O-N 2.76Å |
| 765 | E | 68.1 | Low | 64.6 | Low | 79 Ų | 79 | 109.1 Ų | 109.1 | 37% | 0.369 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.7 | -37.4 | -179.9 | -74.8 | -166 | 142.6 | 0 | 0 | 112.5 | L761 R767 L768 R769 | L761-E765 HydrophobicContact CD2-CG 4.01Å; L761-E765 VanDerWaalsContact O-CB 3.22Å; L761-E765 WeakPolarHBondContact O-CB 3.41Å; L761-E765 VanDerWaalsContact O-CG 3.24Å; L761-E765 WeakPolarHBondContact O-CG 3.48Å; L761-E765 PolarHBondContact O-N 2.91Å; E765-R767 VanDerWaalsContact C-N 3.33Å; E765-L768 PolarHBondContact O-N 3.25Å; E765-R769 WeakPolarHBondContact O-CB 3.27Å; E765-R769 WeakPolarHBondContact O-CG 3.08Å; E765-R769 PolarHBondContact O-N 2.75Å; E765-R769 IonicContact OE1-CZ 2.73Å; E765-R769 IonicContact OE1-NH2 2.74Å; E765-R769 PolarHBondContact OE1-NH2 3.29Å; E765-R769 IonicContact OE2-CZ 3.87Å; E765-R769 IonicContact OE2-NH1 2.77Å; E765-R769 PolarHBondContact OE2-NH1 3.47Å; E765-R769 IonicContact OE2-NH2 3.61Å; E765-R769 PolarHBondContact OE2-NH2 3.46Å |
| 766 | E | 62.6 | Low | 65 | Low | 135 Ų | 135 | 106.4 Ų | 106.4 | 63% | 0.631 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.9 | -39.2 | 176.2 | -72.9 | -179 | 175.8 | 0 | 0 | 111.7 | K762 H770 | K762-E766 WeakPolarHBondContact O-CG 3.17Å; K762-E766 PolarHBondContact O-N 3.47Å; E766-H770 PolarHBondContact O-N 2.74Å; E766-H770 PolarHBondContact O-ND1 2.71Å |
| 767 | R | 67.3 | Low | 65.4 | Low | 154 Ų | 154 | 109.2 Ų | 109.2 | 58% | 0.581 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.3 | -45.7 | 175.8 | -65.9 | 169.1 | -171.3 | 143.9 | 8.7 | 111.5 | E763 L764 E765 H771 | E763-R767 WeakPolarHBondContact O-CD 3.13Å; E763-R767 VanDerWaalsContact O-CG 3.22Å; E763-R767 WeakPolarHBondContact O-CG 3.35Å; E763-R767 PolarHBondContact O-NE 3.24Å; E763-R767 IonicContact OE2-CZ 3.11Å; E763-R767 IonicContact OE2-NH1 3.22Å; E763-R767 PolarHBondContact OE2-NH1 3.43Å; E763-R767 IonicContact OE2-NH2 3.69Å; E763-R767 PolarHBondContact OE2-NH2 3.4Å; L764-R767 PolarHBondContact O-N 3.32Å; E765-R767 VanDerWaalsContact C-N 3.33Å; R767-H771 PolarHBondContact O-N 3.02Å |
| 768 | L | 66.4 | Low | 65.7 | Low | 87 Ų | 87 | 107.1 Ų | 107.1 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73 | -35.9 | -177.6 | -152.3 | 82.2 | 0 | 0 | 0 | 112.6 | L764 E765 H770 H771 H772 | L764-L768 VanDerWaalsContact O-CB 3.31Å; L764-L768 WeakPolarHBondContact O-CB 3.5Å; L764-L768 PolarHBondContact O-N 2.76Å; E765-L768 PolarHBondContact O-N 3.25Å; L768-H770 VanDerWaalsContact C-N 3.34Å; L768-H770 PolarHBondContact O-N 2.75Å; L768-H771 PolarHBondContact O-N 3.45Å; L768-H772 WeakPolarHBondContact O-CB 3.15Å; L768-H772 PolarHBondContact O-N 2.78Å |
| 769 | R | 71.6 | Confident | 66.1 | Low | 147 Ų | 147 | 105.7 Ų | 105.7 | 56% | 0.555 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.6 | -39.2 | 175.5 | -77.2 | 174.8 | 179.6 | 124.5 | 13.4 | 111.8 | E765 H773 | E765-R769 WeakPolarHBondContact O-CB 3.27Å; E765-R769 WeakPolarHBondContact O-CG 3.08Å; E765-R769 PolarHBondContact O-N 2.75Å; E765-R769 IonicContact OE1-CZ 2.73Å; E765-R769 IonicContact OE1-NH2 2.74Å; E765-R769 PolarHBondContact OE1-NH2 3.29Å; E765-R769 IonicContact OE2-CZ 3.87Å; E765-R769 IonicContact OE2-NH1 2.77Å; E765-R769 PolarHBondContact OE2-NH1 3.47Å; E765-R769 IonicContact OE2-NH2 3.61Å; E765-R769 PolarHBondContact OE2-NH2 3.46Å; R769-H773 VanDerWaalsContact O-CB 3.25Å; R769-H773 WeakPolarHBondContact O-CB 3.43Å; R769-H773 PolarHBondContact O-N 2.77Å |
| 770 | H | 64.8 | Low | 66.6 | Low | 152 Ų | 152 | 105.6 Ų | 105.6 | 70% | 0.704 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.3 | -44.6 | 173.4 | -78.5 | 89.7 | 0 | 0 | 0 | 112 | E766 L768 A774 | E766-H770 PolarHBondContact O-N 2.74Å; E766-H770 PolarHBondContact O-ND1 2.71Å; L768-H770 VanDerWaalsContact C-N 3.34Å; L768-H770 PolarHBondContact O-N 2.75Å; H770-A774 PolarHBondContact O-N 2.76Å |
| 771 | H | 69.9 | Low | 66.8 | Low | 111 Ų | 111 | 106.4 Ų | 106.4 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -52.4 | -179.4 | -159.6 | -19.6 | 0 | 0 | 0 | 112 | R767 L768 H773 A774 E775 | R767-H771 PolarHBondContact O-N 3.02Å; L768-H771 PolarHBondContact O-N 3.45Å; H771-H773 VanDerWaalsContact C-N 3.33Å; H771-H773 PolarHBondContact O-N 3.21Å; H771-A774 PolarHBondContact O-N 3.32Å; H771-E775 VanDerWaalsContact CE1-CD 3.45Å; H771-E775 IonicContact CE1-OE1 3.47Å; H771-E775 PolarHBondContact CE1-OE1 2.83Å; H771-E775 IonicContact CE1-OE2 2.63Å; H771-E775 IonicContact CG-OE2 3.2Å; H771-E775 VanDerWaalsContact ND1-CD 3.25Å; H771-E775 IonicContact ND1-OE1 2.92Å; H771-E775 PolarHBondContact ND1-OE1 2.83Å; H771-E775 IonicContact ND1-OE2 2.82Å; H771-E775 PolarHBondContact ND1-OE2 2.87Å; H771-E775 IonicContact NE2-OE1 2.7Å; H771-E775 WeakPolarHBondContact O-CG 3.36Å; H771-E775 PolarHBondContact O-N 2.83Å; H771-E775 VanDerWaalsContact O-N 3.08Å |
| 772 | H | 61.4 | Low | 67.1 | Low | 96 Ų | 96 | 106 Ų | 106 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.5 | -24.6 | 179.9 | -81.9 | -5.1 | 0 | 0 | 0 | 113.7 | L768 E775 L776 | L768-H772 WeakPolarHBondContact O-CB 3.15Å; L768-H772 PolarHBondContact O-N 2.78Å; H772-E775 IonicContact CE1-OE2 3.57Å; H772-E775 IonicContact CG-OE2 2.7Å; H772-E775 IonicContact ND1-OE2 3.82Å; H772-E775 PolarHBondContact ND1-OE2 3.45Å; H772-L776 WeakPolarHBondContact O-CB 3.24Å; H772-L776 WeakPolarHBondContact O-CD1 3.4Å; H772-L776 VanDerWaalsContact O-CG 3.22Å; H772-L776 WeakPolarHBondContact O-CG 3.36Å; H772-L776 PolarHBondContact O-N 2.69Å |
| 773 | H | 72.4 | Confident | 66.7 | Low | 114 Ų | 114 | 104.1 Ų | 104.1 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.6 | -41.8 | 174.4 | -160.1 | 96.5 | 0 | 0 | 0 | 111.3 | R769 H771 Q777 | R769-H773 VanDerWaalsContact O-CB 3.25Å; R769-H773 WeakPolarHBondContact O-CB 3.43Å; R769-H773 PolarHBondContact O-N 2.77Å; H771-H773 VanDerWaalsContact C-N 3.33Å; H771-H773 PolarHBondContact O-N 3.21Å; H773-Q777 WeakPolarHBondContact O-CG 3.41Å; H773-Q777 PolarHBondContact O-N 3.44Å; H773-Q777 VanDerWaalsContact O-N 3.09Å |
| 774 | A | 65.1 | Low | 67.4 | Low | 58 Ų | 58 | 106 Ų | 106 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | H770 H771 Q777 S778 | H770-A774 PolarHBondContact O-N 2.76Å; H771-A774 PolarHBondContact O-N 3.32Å; A774-Q777 PolarHBondContact O-N 3.22Å; A774-S778 PolarHBondContact O-N 3.29Å |
| 775 | E | 67.6 | Low | 67.5 | Low | 80 Ų | 80 | 107.2 Ų | 107.2 | 37% | 0.374 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -40.6 | 176.1 | -67 | 171.2 | 135.8 | 0 | 0 | 112.2 | H771 H772 Q777 S778 L779 | H771-E775 VanDerWaalsContact CE1-CD 3.45Å; H771-E775 IonicContact CE1-OE1 3.47Å; H771-E775 PolarHBondContact CE1-OE1 2.83Å; H771-E775 IonicContact CE1-OE2 2.63Å; H771-E775 IonicContact CG-OE2 3.2Å; H771-E775 VanDerWaalsContact ND1-CD 3.25Å; H771-E775 IonicContact ND1-OE1 2.92Å; H771-E775 PolarHBondContact ND1-OE1 2.83Å; H771-E775 IonicContact ND1-OE2 2.82Å; H771-E775 PolarHBondContact ND1-OE2 2.87Å; H771-E775 IonicContact NE2-OE1 2.7Å; H771-E775 WeakPolarHBondContact O-CG 3.36Å; H771-E775 PolarHBondContact O-N 2.83Å; H771-E775 VanDerWaalsContact O-N 3.08Å; H772-E775 IonicContact CE1-OE2 3.57Å; H772-E775 IonicContact CG-OE2 2.7Å; H772-E775 IonicContact ND1-OE2 3.82Å; H772-E775 PolarHBondContact ND1-OE2 3.45Å; E775-Q777 VanDerWaalsContact C-N 3.28Å; E775-Q777 PolarHBondContact O-N 3.22Å; E775-S778 PolarHBondContact O-N 3.08Å; E775-S778 PolarHBondContact O-OG 3.5Å; E775-S778 VanDerWaalsContact O-OG 3.13Å; E775-L779 WeakPolarHBondContact O-CB 3.3Å; E775-L779 PolarHBondContact O-N 3.43Å |
| 776 | L | 67.8 | Low | 67.5 | Low | 75 Ų | 75 | 106.2 Ų | 106.2 | 39% | 0.393 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.5 | -26 | 175.5 | -79 | 165.4 | 0 | 0 | 0 | 112.7 | H772 R780 | H772-L776 WeakPolarHBondContact O-CB 3.24Å; H772-L776 WeakPolarHBondContact O-CD1 3.4Å; H772-L776 VanDerWaalsContact O-CG 3.22Å; H772-L776 WeakPolarHBondContact O-CG 3.36Å; H772-L776 PolarHBondContact O-N 2.69Å; L776-R780 WeakPolarHBondContact O-CB 3.09Å; L776-R780 WeakPolarHBondContact O-CD 3.44Å; L776-R780 WeakPolarHBondContact O-CG 3.29Å; L776-R780 PolarHBondContact O-N 3.03Å; L776-R780 VanDerWaalsContact O-N 3.1Å |
| 777 | Q | 69.2 | Low | 67.9 | Low | 107 Ų | 107 | 104.6 Ų | 104.6 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.4 | -52.1 | 172.1 | -75.7 | -176 | -78 | 0 | 0 | 111.3 | H773 A774 E775 L779 R780 E781 | H773-Q777 WeakPolarHBondContact O-CG 3.41Å; H773-Q777 PolarHBondContact O-N 3.44Å; H773-Q777 VanDerWaalsContact O-N 3.09Å; A774-Q777 PolarHBondContact O-N 3.22Å; E775-Q777 VanDerWaalsContact C-N 3.28Å; E775-Q777 PolarHBondContact O-N 3.22Å; Q777-L779 VanDerWaalsContact C-N 3.33Å; Q777-L779 PolarHBondContact O-N 2.81Å; Q777-R780 PolarHBondContact O-N 2.9Å; Q777-E781 PolarHBondContact O-N 2.7Å; Q777-E781 VanDerWaalsContact O-N 3.08Å |
| 778 | S | 66.7 | Low | 68.1 | Low | 73 Ų | 73 | 102 Ų | 102 | 51% | 0.51 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 179 | 63.2 | 0 | 0 | 0 | 0 | 112.6 | A774 E775 E781 A782 | A774-S778 PolarHBondContact O-N 3.29Å; E775-S778 PolarHBondContact O-N 3.08Å; E775-S778 PolarHBondContact O-OG 3.5Å; E775-S778 VanDerWaalsContact O-OG 3.13Å; S778-E781 PolarHBondContact O-N 3.42Å; S778-A782 PolarHBondContact O-N 3.32Å |
| 779 | L | 68.4 | Low | 68.1 | Low | 88 Ų | 88 | 101.5 Ų | 101.5 | 46% | 0.461 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.3 | -37.3 | 177.3 | -172.7 | 60.2 | 0 | 0 | 0 | 112.3 | E775 Q777 A782 H783 | E775-L779 WeakPolarHBondContact O-CB 3.3Å; E775-L779 PolarHBondContact O-N 3.43Å; Q777-L779 VanDerWaalsContact C-N 3.33Å; Q777-L779 PolarHBondContact O-N 2.81Å; L779-A782 PolarHBondContact O-N 2.74Å; L779-H783 WeakPolarHBondContact O-CB 3.18Å; L779-H783 PolarHBondContact O-CD2 2.84Å; L779-H783 PolarHBondContact O-N 3.31Å |
| 780 | R | 70.9 | Confident | 67.8 | Low | 149 Ų | 149 | 99.7 Ų | 99.7 | 56% | 0.562 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.7 | -36.9 | 173.2 | -78.7 | 167.8 | -175.4 | 149.1 | -0.5 | 112.3 | L776 Q777 R784 | L776-R780 WeakPolarHBondContact O-CB 3.09Å; L776-R780 WeakPolarHBondContact O-CD 3.44Å; L776-R780 WeakPolarHBondContact O-CG 3.29Å; L776-R780 PolarHBondContact O-N 3.03Å; L776-R780 VanDerWaalsContact O-N 3.1Å; Q777-R780 PolarHBondContact O-N 2.9Å; R780-R784 WeakPolarHBondContact O-CB 3.49Å; R780-R784 PolarHBondContact O-N 3.36Å |
| 781 | E | 68.1 | Low | 67.9 | Low | 121 Ų | 121 | 98.5 Ų | 98.5 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -70.7 | -37.7 | 177.3 | -70 | -179.1 | 159.7 | 0 | 0 | 112 | Q777 S778 R784 Q785 | Q777-E781 PolarHBondContact O-N 2.7Å; Q777-E781 VanDerWaalsContact O-N 3.08Å; S778-E781 PolarHBondContact O-N 3.42Å; E781-R784 PolarHBondContact O-N 2.69Å; E781-Q785 PolarHBondContact O-N 3.43Å |
| 782 | A | 69.1 | Low | 67.8 | Low | 55 Ų | 55 | 99 Ų | 99 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -45.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S778 L779 R784 Q785 S786 | S778-A782 PolarHBondContact O-N 3.32Å; L779-A782 PolarHBondContact O-N 2.74Å; A782-R784 VanDerWaalsContact C-N 3.31Å; A782-R784 PolarHBondContact O-N 2.82Å; A782-Q785 PolarHBondContact O-N 3.15Å; A782-S786 PolarHBondContact O-N 2.73Å |
| 783 | H | 58.8 | Low | 67.9 | Low | 104 Ų | 104 | 99.6 Ų | 99.6 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -35.9 | 175.7 | -78.6 | -58.5 | 0 | 0 | 0 | 112.6 | L779 Q785 S786 I787 | L779-H783 WeakPolarHBondContact O-CB 3.18Å; L779-H783 PolarHBondContact O-CD2 2.84Å; L779-H783 PolarHBondContact O-N 3.31Å; H783-Q785 VanDerWaalsContact C-N 3.35Å; H783-Q785 PolarHBondContact O-N 3.1Å; H783-S786 PolarHBondContact O-N 3.01Å; H783-I787 WeakPolarHBondContact O-CB 3.21Å; H783-I787 WeakPolarHBondContact O-CD1 3.36Å; H783-I787 VanDerWaalsContact O-CG1 3.26Å; H783-I787 WeakPolarHBondContact O-CG1 3.16Å; H783-I787 PolarHBondContact O-N 3.34Å |
| 784 | R | 75.5 | Confident | 67.2 | Low | 142 Ų | 142 | 96.6 Ų | 96.6 | 54% | 0.536 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59 | -46.4 | 175 | -174.3 | 173 | 65 | 79.9 | -6.8 | 111.5 | R780 E781 A782 I787 E788 | R780-R784 WeakPolarHBondContact O-CB 3.49Å; R780-R784 PolarHBondContact O-N 3.36Å; E781-R784 PolarHBondContact O-N 2.69Å; A782-R784 VanDerWaalsContact C-N 3.31Å; A782-R784 PolarHBondContact O-N 2.82Å; R784-I787 PolarHBondContact O-N 3.08Å; R784-E788 IonicContact NH1-OE2 2.74Å; R784-E788 PolarHBondContact O-N 2.73Å |
| 785 | Q | 66.9 | Low | 67.3 | Low | 125 Ų | 125 | 100 Ų | 100 | 58% | 0.584 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.2 | -39.3 | 177.9 | -66.2 | 175.8 | 5.5 | 0 | 0 | 112 | E781 A782 H783 E788 T789 | E781-Q785 PolarHBondContact O-N 3.43Å; A782-Q785 PolarHBondContact O-N 3.15Å; H783-Q785 VanDerWaalsContact C-N 3.35Å; H783-Q785 PolarHBondContact O-N 3.1Å; Q785-E788 WeakPolarHBondContact O-CB 3.13Å; Q785-E788 PolarHBondContact O-N 3.46Å; Q785-T789 PolarHBondContact O-N 2.89Å; Q785-T789 VanDerWaalsContact O-N 3.15Å; Q785-T789 PolarHBondContact O-OG1 3.08Å |
| 786 | S | 68.3 | Low | 67.1 | Low | 58 Ų | 58 | 102.6 Ų | 102.6 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 175.6 | -178 | 0 | 0 | 0 | 0 | 113 | A782 H783 T789 L790 | A782-S786 PolarHBondContact O-N 2.73Å; H783-S786 PolarHBondContact O-N 3.01Å; S786-T789 WeakPolarHBondContact CA-OG1 3.24Å; S786-T789 PolarHBondContact O-N 2.95Å; S786-T789 PolarHBondContact O-OG1 3.2Å; S786-L790 PolarHBondContact O-N 3.45Å |
| 787 | I | 70.9 | Confident | 66.9 | Low | 101 Ų | 101 | 105.3 Ų | 105.3 | 52% | 0.518 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.3 | -36.5 | 175.2 | -69.5 | 164.1 | 0 | 0 | 0 | 111.5 | H783 R784 T789 L790 K791 | H783-I787 WeakPolarHBondContact O-CB 3.21Å; H783-I787 WeakPolarHBondContact O-CD1 3.36Å; H783-I787 VanDerWaalsContact O-CG1 3.26Å; H783-I787 WeakPolarHBondContact O-CG1 3.16Å; H783-I787 PolarHBondContact O-N 3.34Å; R784-I787 PolarHBondContact O-N 3.08Å; I787-T789 VanDerWaalsContact C-N 3.32Å; I787-T789 PolarHBondContact O-N 3.34Å; I787-L790 PolarHBondContact O-N 2.77Å; I787-K791 PolarHBondContact O-N 2.72Å; I787-K791 VanDerWaalsContact O-N 3.09Å |
| 788 | E | 70.8 | Confident | 66.8 | Low | 100 Ų | 100 | 105.1 Ų | 105.1 | 47% | 0.467 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 173.7 | -137.9 | 97.8 | -112.9 | 0 | 0 | 110.9 | R784 Q785 | R784-E788 IonicContact NH1-OE2 2.74Å; R784-E788 PolarHBondContact O-N 2.73Å; Q785-E788 WeakPolarHBondContact O-CB 3.13Å; Q785-E788 PolarHBondContact O-N 3.46Å |
| 789 | T | 67.1 | Low | 66.7 | Low | 76 Ų | 76 | 108.5 Ų | 108.5 | 47% | 0.466 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -72.8 | -38 | 175.4 | 45.4 | 0 | 0 | 0 | 0 | 113.9 | Q785 S786 I787 K791 Q792 Q793 | Q785-T789 PolarHBondContact O-N 2.89Å; Q785-T789 VanDerWaalsContact O-N 3.15Å; Q785-T789 PolarHBondContact O-OG1 3.08Å; S786-T789 WeakPolarHBondContact CA-OG1 3.24Å; S786-T789 PolarHBondContact O-N 2.95Å; S786-T789 PolarHBondContact O-OG1 3.2Å; I787-T789 VanDerWaalsContact C-N 3.32Å; I787-T789 PolarHBondContact O-N 3.34Å; T789-K791 VanDerWaalsContact C-N 3.29Å; T789-K791 PolarHBondContact O-N 3.45Å; T789-Q792 PolarHBondContact O-N 2.94Å; T789-Q793 PolarHBondContact O-N 3.37Å |
| 790 | L | 63.3 | Low | 66.4 | Low | 109 Ų | 109 | 108.2 Ų | 108.2 | 57% | 0.571 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.9 | -36.7 | 177 | -120.1 | 83.9 | 0 | 0 | 0 | 111.9 | S786 I787 Q792 Q793 S794 | S786-L790 PolarHBondContact O-N 3.45Å; I787-L790 PolarHBondContact O-N 2.77Å; L790-Q792 PolarHBondContact O-N 2.76Å; L790-Q793 PolarHBondContact O-N 2.65Å; L790-S794 PolarHBondContact O-N 2.8Å |
| 791 | K | 68.1 | Low | 65.8 | Low | 126 Ų | 126 | 105.6 Ų | 105.6 | 55% | 0.548 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58 | -48 | 175.4 | -84.8 | -175 | 170.5 | -174.8 | 0 | 112.2 | I787 T789 Q793 S794 E795 | I787-K791 PolarHBondContact O-N 2.72Å; I787-K791 VanDerWaalsContact O-N 3.09Å; T789-K791 VanDerWaalsContact C-N 3.29Å; T789-K791 PolarHBondContact O-N 3.45Å; K791-Q793 PolarHBondContact O-N 2.68Å; K791-S794 PolarHBondContact O-N 2.88Å; K791-S794 VanDerWaalsContact O-N 3.13Å; K791-S794 PolarHBondContact O-OG 2.66Å; K791-E795 PolarHBondContact O-N 2.78Å |
| 792 | Q | 67.4 | Low | 65.7 | Low | 123 Ų | 123 | 108.8 Ų | 108.8 | 58% | 0.575 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.4 | -29.4 | -179.4 | -67.9 | -178.7 | -12.9 | 0 | 0 | 112.7 | T789 L790 Q796 | T789-Q792 PolarHBondContact O-N 2.94Å; L790-Q792 PolarHBondContact O-N 2.76Å; Q792-Q796 WeakPolarHBondContact O-CG 3.35Å; Q792-Q796 PolarHBondContact O-N 2.86Å |
| 793 | Q | 64.1 | Low | 65.5 | Low | 108 Ų | 108 | 112.9 Ų | 112.9 | 51% | 0.505 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -72.1 | -46.9 | 172.3 | -67 | 172.9 | -41.8 | 0 | 0 | 111.1 | T789 L790 K791 E795 Q796 E797 | T789-Q793 PolarHBondContact O-N 3.37Å; L790-Q793 PolarHBondContact O-N 2.65Å; K791-Q793 PolarHBondContact O-N 2.68Å; Q793-E795 VanDerWaalsContact C-N 3.31Å; Q793-E795 PolarHBondContact O-N 3.5Å; Q793-Q796 WeakPolarHBondContact O-CB 3.33Å; Q793-Q796 PolarHBondContact O-N 2.67Å; Q793-Q796 VanDerWaalsContact O-N 3.08Å; Q793-E797 PolarHBondContact O-N 3.12Å; Q793-E797 VanDerWaalsContact O-N 3.08Å |
| 794 | S | 58.2 | Low | 65.8 | Low | 51 Ų | 51 | 113.2 Ų | 113.2 | 36% | 0.357 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.8 | -29.3 | 178.1 | 68.3 | 0 | 0 | 0 | 0 | 114.3 | L790 K791 L798 | L790-S794 PolarHBondContact O-N 2.8Å; K791-S794 PolarHBondContact O-N 2.88Å; K791-S794 VanDerWaalsContact O-N 3.13Å; K791-S794 PolarHBondContact O-OG 2.66Å; S794-L798 WeakPolarHBondContact O-CB 3.29Å; S794-L798 WeakPolarHBondContact O-CG 3.38Å; S794-L798 PolarHBondContact O-N 3.46Å |
| 795 | E | 67 | Low | 65.2 | Low | 130 Ų | 130 | 111.4 Ų | 111.4 | 61% | 0.607 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.6 | -31 | 173.1 | -77.2 | -175.2 | 135.6 | 0 | 0 | 112.3 | K791 Q793 Q799 | K791-E795 PolarHBondContact O-N 2.78Å; Q793-E795 VanDerWaalsContact C-N 3.31Å; Q793-E795 PolarHBondContact O-N 3.5Å; E795-Q799 WeakPolarHBondContact O-CB 3.43Å; E795-Q799 PolarHBondContact O-N 2.84Å |
| 796 | Q | 62.8 | Low | 65.2 | Low | 134 Ų | 134 | 111 Ų | 111 | 63% | 0.626 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -72.6 | -42 | 174 | -70.8 | 175.9 | -5.7 | 0 | 0 | 111.6 | Q792 Q793 L798 Q799 T800 | Q792-Q796 WeakPolarHBondContact O-CG 3.35Å; Q792-Q796 PolarHBondContact O-N 2.86Å; Q793-Q796 WeakPolarHBondContact O-CB 3.33Å; Q793-Q796 PolarHBondContact O-N 2.67Å; Q793-Q796 VanDerWaalsContact O-N 3.08Å; Q796-L798 PolarHBondContact O-N 3.4Å; Q796-Q799 WeakPolarHBondContact O-CA 3.47Å; Q796-Q799 WeakPolarHBondContact O-CB 3.38Å; Q796-Q799 PolarHBondContact O-N 2.99Å; Q796-T800 PolarHBondContact O-N 2.96Å; Q796-T800 VanDerWaalsContact O-N 3.1Å |
| 797 | E | 64.1 | Low | 64.8 | Low | 132 Ų | 132 | 112.2 Ų | 112.2 | 62% | 0.617 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64 | -38 | 174.8 | -67.4 | 172.8 | 166 | 0 | 0 | 112.1 | Q793 Q799 T800 L801 | Q793-E797 PolarHBondContact O-N 3.12Å; Q793-E797 VanDerWaalsContact O-N 3.08Å; E797-Q799 PolarHBondContact O-N 3.3Å; E797-T800 PolarHBondContact O-N 3.19Å; E797-T800 PolarHBondContact O-OG1 3.03Å; E797-L801 WeakPolarHBondContact O-CB 3.49Å; E797-L801 PolarHBondContact O-N 2.91Å; E797-L801 VanDerWaalsContact O-N 3.09Å |
| 798 | L | 66.4 | Low | 64.5 | Low | 102 Ų | 102 | 113.1 Ų | 113.1 | 53% | 0.534 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.6 | -16.1 | 170.8 | -86.7 | 166.2 | 0 | 0 | 0 | 113.7 | S794 Q796 R802 | S794-L798 WeakPolarHBondContact O-CB 3.29Å; S794-L798 WeakPolarHBondContact O-CG 3.38Å; S794-L798 PolarHBondContact O-N 3.46Å; Q796-L798 PolarHBondContact O-N 3.4Å; L798-R802 VanDerWaalsContact O-CD 3.3Å; L798-R802 WeakPolarHBondContact O-CD 3.16Å; L798-R802 VanDerWaalsContact O-CG 3.24Å; L798-R802 WeakPolarHBondContact O-CG 2.97Å |
| 799 | Q | 63.8 | Low | 64 | Low | 144 Ų | 144 | 109.9 Ų | 109.9 | 67% | 0.673 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -96.3 | -28.3 | -179.2 | -156.2 | 160.4 | 16.1 | 0 | 0 | 112.5 | E795 Q796 E797 | E795-Q799 WeakPolarHBondContact O-CB 3.43Å; E795-Q799 PolarHBondContact O-N 2.84Å; Q796-Q799 WeakPolarHBondContact O-CA 3.47Å; Q796-Q799 WeakPolarHBondContact O-CB 3.38Å; Q796-Q799 PolarHBondContact O-N 2.99Å; E797-Q799 PolarHBondContact O-N 3.3Å |
| 800 | T | 62.7 | Low | 63.8 | Low | 83 Ų | 83 | 111 Ų | 111 | 51% | 0.509 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -72 | -46.6 | 166.3 | 50.3 | 0 | 0 | 0 | 0 | 111.6 | Q796 E797 R802 F803 E804 | Q796-T800 PolarHBondContact O-N 2.96Å; Q796-T800 VanDerWaalsContact O-N 3.1Å; E797-T800 PolarHBondContact O-N 3.19Å; E797-T800 PolarHBondContact O-OG1 3.03Å; T800-R802 PolarHBondContact O-N 2.78Å; T800-R802 VanDerWaalsContact O-N 3.14Å; T800-F803 WeakPolarHBondContact O-CB 3.22Å; T800-F803 PolarHBondContact O-N 2.78Å; T800-E804 PolarHBondContact O-N 3.25Å; T800-E804 VanDerWaalsContact O-N 3.15Å |
| 801 | L | 57.8 | Low | 63.8 | Low | 94 Ų | 94 | 108.6 Ų | 108.6 | 49% | 0.492 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61 | -28.9 | -178.5 | -159.6 | 79.6 | 0 | 0 | 0 | 112.6 | E797 L805 | E797-L801 WeakPolarHBondContact O-CB 3.49Å; E797-L801 PolarHBondContact O-N 2.91Å; E797-L801 VanDerWaalsContact O-N 3.09Å; L801-L805 HydrophobicContact CG-CD1 4.34Å; L801-L805 WeakPolarHBondContact O-CB 3.4Å; L801-L805 VanDerWaalsContact O-CG 3.29Å; L801-L805 WeakPolarHBondContact O-CG 3.26Å; L801-L805 PolarHBondContact O-N 3.37Å; L801-L805 VanDerWaalsContact O-N 3.08Å |
| 802 | R | 66.8 | Low | 63.5 | Low | 188 Ų | 188 | 108.3 Ų | 108.3 | 71% | 0.709 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.8 | -33.3 | 172.2 | -83.3 | 172 | 179 | -99 | 1.3 | 113.5 | L798 T800 E806 | L798-R802 VanDerWaalsContact O-CD 3.3Å; L798-R802 WeakPolarHBondContact O-CD 3.16Å; L798-R802 VanDerWaalsContact O-CG 3.24Å; L798-R802 WeakPolarHBondContact O-CG 2.97Å; T800-R802 PolarHBondContact O-N 2.78Å; T800-R802 VanDerWaalsContact O-N 3.14Å; R802-E806 WeakPolarHBondContact O-CB 3.41Å; R802-E806 PolarHBondContact O-N 3.46Å |
| 803 | F | 64.4 | Low | 63.4 | Low | 141 Ų | 141 | 107.4 Ų | 107.4 | 62% | 0.618 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -76.8 | -41.7 | 179.8 | -141 | -77.8 | 0 | 0 | 0 | 110.4 | T800 E806 D807 | T800-F803 WeakPolarHBondContact O-CB 3.22Å; T800-F803 PolarHBondContact O-N 2.78Å; F803-E806 PolarHBondContact O-N 3.45Å; F803-D807 PolarHBondContact O-N 3.13Å; F803-D807 VanDerWaalsContact O-N 3.08Å |
| 804 | E | 65.6 | Low | 63.5 | Low | 110 Ų | 110 | 105.1 Ų | 105.1 | 51% | 0.514 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.7 | -50.3 | 176.4 | -67.6 | 166.3 | 159.8 | 0 | 0 | 111 | T800 E806 D807 E808 | T800-E804 PolarHBondContact O-N 3.25Å; T800-E804 VanDerWaalsContact O-N 3.15Å; E804-E806 VanDerWaalsContact C-N 3.27Å; E804-E806 PolarHBondContact O-N 3.46Å; E804-D807 PolarHBondContact O-N 2.84Å; E804-E808 WeakPolarHBondContact O-CB 3.33Å; E804-E808 WeakPolarHBondContact O-CG 3.21Å; E804-E808 PolarHBondContact O-N 3.39Å |
| 805 | L | 62.6 | Low | 63.8 | Low | 104 Ų | 104 | 105.2 Ų | 105.2 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.4 | -27.7 | 176.5 | -72.3 | 169.5 | 0 | 0 | 0 | 113.8 | L801 G809 | L801-L805 HydrophobicContact CG-CD1 4.34Å; L801-L805 WeakPolarHBondContact O-CB 3.4Å; L801-L805 VanDerWaalsContact O-CG 3.29Å; L801-L805 WeakPolarHBondContact O-CG 3.26Å; L801-L805 PolarHBondContact O-N 3.37Å; L801-L805 VanDerWaalsContact O-N 3.08Å; L805-G809 PolarHBondContact O-N 3.43Å |
| 806 | E | 66.5 | Low | 63.5 | Low | 118 Ų | 118 | 103.6 Ų | 103.6 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -78.5 | -35.6 | 178.2 | -145.9 | -167.6 | -117 | 0 | 0 | 112 | R802 F803 E804 K810 | R802-E806 WeakPolarHBondContact O-CB 3.41Å; R802-E806 PolarHBondContact O-N 3.46Å; F803-E806 PolarHBondContact O-N 3.45Å; E804-E806 VanDerWaalsContact C-N 3.27Å; E804-E806 PolarHBondContact O-N 3.46Å; E806-K810 WeakPolarHBondContact O-CD 3.26Å; E806-K810 VanDerWaalsContact O-CE 3.22Å; E806-K810 WeakPolarHBondContact O-CE 3.1Å; E806-K810 WeakPolarHBondContact O-CG 3.49Å; E806-K810 PolarHBondContact O-N 2.73Å; E806-K810 VanDerWaalsContact OE2-CE 3.27Å; E806-K810 WeakPolarHBondContact OE2-CE 3.09Å; E806-K810 IonicContact OE2-NZ 2.76Å; E806-K810 PolarHBondContact OE2-NZ 3.35Å |
| 807 | D | 60.6 | Low | 63.8 | Low | 82 Ų | 82 | 105.3 Ų | 105.3 | 44% | 0.439 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -79.8 | -34.3 | 175.2 | -82.6 | 3.3 | 0 | 0 | 0 | 112.6 | F803 E804 G809 K810 A811 | F803-D807 PolarHBondContact O-N 3.13Å; F803-D807 VanDerWaalsContact O-N 3.08Å; E804-D807 PolarHBondContact O-N 2.84Å; D807-G809 VanDerWaalsContact C-N 3.33Å; D807-K810 PolarHBondContact O-N 3.26Å; D807-K810 WeakPolarHBondContact OD1-CD 3.47Å; D807-K810 IonicContact OD1-NZ 3.88Å; D807-K810 PolarHBondContact OD1-NZ 3.1Å; D807-A811 VanDerWaalsContact O-CB 3.3Å; D807-A811 WeakPolarHBondContact O-CB 3.47Å; D807-A811 PolarHBondContact O-N 2.72Å |
| 808 | E | 64.3 | Low | 63.8 | Low | 120 Ų | 120 | 102.9 Ų | 102.9 | 56% | 0.561 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.2 | -42.3 | 165.4 | -74.1 | -170.9 | 153.7 | 0 | 0 | 111.1 | E804 K810 A811 M812 | E804-E808 WeakPolarHBondContact O-CB 3.33Å; E804-E808 WeakPolarHBondContact O-CG 3.21Å; E804-E808 PolarHBondContact O-N 3.39Å; E808-K810 PolarHBondContact O-N 2.88Å; E808-A811 PolarHBondContact O-N 2.68Å; E808-M812 VanDerWaalsContact O-CB 3.29Å; E808-M812 WeakPolarHBondContact O-CB 3.07Å; E808-M812 PolarHBondContact O-N 2.73Å |
| 809 | G | 59.9 | Low | 64 | Low | 33 Ų | 33 | 103.5 Ų | 103.5 | 34% | 0.34 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L805 D807 L813 | L805-G809 PolarHBondContact O-N 3.43Å; D807-G809 VanDerWaalsContact C-N 3.33Å; G809-L813 VanDerWaalsContact O-CB 3.31Å; G809-L813 WeakPolarHBondContact O-CB 3.22Å; G809-L813 PolarHBondContact O-N 3.18Å |
| 810 | K | 63.8 | Low | 64.3 | Low | 98 Ų | 98 | 101.2 Ų | 101.2 | 43% | 0.426 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 174 | -70.1 | 159.5 | -147.3 | 155.2 | 0 | 111.8 | E806 D807 E808 A814 | E806-K810 WeakPolarHBondContact O-CD 3.26Å; E806-K810 VanDerWaalsContact O-CE 3.22Å; E806-K810 WeakPolarHBondContact O-CE 3.1Å; E806-K810 WeakPolarHBondContact O-CG 3.49Å; E806-K810 PolarHBondContact O-N 2.73Å; E806-K810 VanDerWaalsContact OE2-CE 3.27Å; E806-K810 WeakPolarHBondContact OE2-CE 3.09Å; E806-K810 IonicContact OE2-NZ 2.76Å; E806-K810 PolarHBondContact OE2-NZ 3.35Å; D807-K810 PolarHBondContact O-N 3.26Å; D807-K810 WeakPolarHBondContact OD1-CD 3.47Å; D807-K810 IonicContact OD1-NZ 3.88Å; D807-K810 PolarHBondContact OD1-NZ 3.1Å; E808-K810 PolarHBondContact O-N 2.88Å; K810-A814 VanDerWaalsContact O-CB 3.28Å; K810-A814 WeakPolarHBondContact O-CB 3.16Å; K810-A814 PolarHBondContact O-N 3.38Å |
| 811 | A | 63.9 | Low | 64.5 | Low | 60 Ų | 60 | 102.3 Ų | 102.3 | 50% | 0.496 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D807 E808 A814 S815 | D807-A811 VanDerWaalsContact O-CB 3.3Å; D807-A811 WeakPolarHBondContact O-CB 3.47Å; D807-A811 PolarHBondContact O-N 2.72Å; E808-A811 PolarHBondContact O-N 2.68Å; A811-A814 CarbonylContact O-C 3.56Å; A811-A814 WeakPolarHBondContact O-CB 3.23Å; A811-A814 PolarHBondContact O-N 3.43Å; A811-S815 PolarHBondContact O-N 2.73Å |
| 812 | M | 61.4 | Low | 65 | Low | 119 Ų | 119 | 104.2 Ų | 104.2 | 59% | 0.586 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -72.2 | -35 | 178.1 | -162.6 | -176 | -59.7 | 0 | 0 | 112.1 | E808 A814 S815 L816 | E808-M812 VanDerWaalsContact O-CB 3.29Å; E808-M812 WeakPolarHBondContact O-CB 3.07Å; E808-M812 PolarHBondContact O-N 2.73Å; M812-A814 VanDerWaalsContact C-N 3.31Å; M812-S815 WeakPolarHBondContact CA-OG 3.35Å; M812-S815 PolarHBondContact O-OG 2.75Å; M812-S815 VanDerWaalsContact O-OG 3.07Å; M812-L816 HydrophobicContact CG-CD1 4.23Å; M812-L816 VanDerWaalsContact O-CB 3.27Å; M812-L816 WeakPolarHBondContact O-CB 3.4Å; M812-L816 WeakPolarHBondContact O-CG 3.2Å; M812-L816 PolarHBondContact O-N 3.34Å |
| 813 | L | 65.8 | Low | 65.1 | Low | 104 Ų | 104 | 100.2 Ų | 100.2 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.2 | -29.9 | 168.1 | -85.4 | 165.7 | 0 | 0 | 0 | 112.5 | G809 R817 | G809-L813 VanDerWaalsContact O-CB 3.31Å; G809-L813 WeakPolarHBondContact O-CB 3.22Å; G809-L813 PolarHBondContact O-N 3.18Å; L813-R817 WeakPolarHBondContact O-CB 3.48Å; L813-R817 WeakPolarHBondContact O-CD 3.12Å; L813-R817 WeakPolarHBondContact O-CG 3.23Å; L813-R817 PolarHBondContact O-N 3.44Å |
| 814 | A | 65.1 | Low | 65.3 | Low | 60 Ų | 60 | 98.5 Ų | 98.5 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -74.2 | -40.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K810 A811 M812 S818 | K810-A814 VanDerWaalsContact O-CB 3.28Å; K810-A814 WeakPolarHBondContact O-CB 3.16Å; K810-A814 PolarHBondContact O-N 3.38Å; A811-A814 CarbonylContact O-C 3.56Å; A811-A814 WeakPolarHBondContact O-CB 3.23Å; A811-A814 PolarHBondContact O-N 3.43Å; M812-A814 VanDerWaalsContact C-N 3.31Å; A814-S818 WeakPolarHBondContact O-CB 3.39Å; A814-S818 PolarHBondContact O-N 2.67Å |
| 815 | S | 64.9 | Low | 65.5 | Low | 53 Ų | 53 | 95.9 Ų | 95.9 | 37% | 0.371 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67 | -48.7 | 174.2 | 68.9 | 0 | 0 | 0 | 0 | 111 | A811 M812 R817 S818 E819 | A811-S815 PolarHBondContact O-N 2.73Å; M812-S815 WeakPolarHBondContact CA-OG 3.35Å; M812-S815 PolarHBondContact O-OG 2.75Å; M812-S815 VanDerWaalsContact O-OG 3.07Å; S815-R817 VanDerWaalsContact C-N 3.32Å; S815-R817 PolarHBondContact O-N 2.71Å; S815-S818 CarbonylContact O-C 3.52Å; S815-S818 WeakPolarHBondContact O-CA 3.49Å; S815-S818 WeakPolarHBondContact O-CB 3.37Å; S815-S818 PolarHBondContact O-N 3.11Å; S815-E819 WeakPolarHBondContact O-CB 3.42Å; S815-E819 WeakPolarHBondContact O-CG 3.37Å; S815-E819 PolarHBondContact O-N 3.42Å |
| 816 | L | 60.8 | Low | 65.9 | Low | 97 Ų | 97 | 93.6 Ų | 93.6 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -33.5 | 175.9 | -77.4 | 164.8 | 0 | 0 | 0 | 112.8 | M812 L820 | M812-L816 HydrophobicContact CG-CD1 4.23Å; M812-L816 VanDerWaalsContact O-CB 3.27Å; M812-L816 WeakPolarHBondContact O-CB 3.4Å; M812-L816 WeakPolarHBondContact O-CG 3.2Å; M812-L816 PolarHBondContact O-N 3.34Å; L816-L820 WeakPolarHBondContact O-CB 3.32Å; L816-L820 PolarHBondContact O-N 3.47Å |
| 817 | R | 69.3 | Low | 66.1 | Low | 170 Ų | 170 | 90.4 Ų | 90.4 | 64% | 0.642 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -72.3 | -32.2 | 169.8 | -76.9 | 173.8 | 174.6 | -172 | -0.5 | 112.4 | L813 S815 N821 | L813-R817 WeakPolarHBondContact O-CB 3.48Å; L813-R817 WeakPolarHBondContact O-CD 3.12Å; L813-R817 WeakPolarHBondContact O-CG 3.23Å; L813-R817 PolarHBondContact O-N 3.44Å; S815-R817 VanDerWaalsContact C-N 3.32Å; S815-R817 PolarHBondContact O-N 2.71Å; R817-N821 WeakPolarHBondContact O-CB 3.42Å; R817-N821 PolarHBondContact O-N 3.36Å; R817-N821 PolarHBondContact O-ND2 3.44Å |
| 818 | S | 64.6 | Low | 66.7 | Low | 80 Ų | 80 | 90.3 Ų | 90.3 | 56% | 0.559 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -71.4 | -41.3 | 175.6 | -170.8 | 0 | 0 | 0 | 0 | 111.1 | A814 S815 N821 H822 | A814-S818 WeakPolarHBondContact O-CB 3.39Å; A814-S818 PolarHBondContact O-N 2.67Å; S815-S818 CarbonylContact O-C 3.52Å; S815-S818 WeakPolarHBondContact O-CA 3.49Å; S815-S818 WeakPolarHBondContact O-CB 3.37Å; S815-S818 PolarHBondContact O-N 3.11Å; S818-N821 CarbonylContact O-C 3.55Å; S818-H822 WeakPolarHBondContact O-CA 3.35Å; S818-H822 WeakPolarHBondContact O-CB 3.49Å; S818-H822 PolarHBondContact O-N 3.22Å |
| 819 | E | 70.1 | Confident | 66.9 | Low | 115 Ų | 115 | 89.1 Ų | 89.1 | 54% | 0.537 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.9 | -43.3 | 176.6 | -71.4 | 178.9 | 152.5 | 0 | 0 | 111.1 | S815 N821 H822 I823 | S815-E819 WeakPolarHBondContact O-CB 3.42Å; S815-E819 WeakPolarHBondContact O-CG 3.37Å; S815-E819 PolarHBondContact O-N 3.42Å; E819-N821 VanDerWaalsContact C-N 3.34Å; E819-N821 PolarHBondContact O-N 2.94Å; E819-H822 CarbonylContact O-C 3.54Å; E819-H822 PolarHBondContact O-N 2.89Å; E819-H822 VanDerWaalsContact O-N 3.11Å; E819-I823 VanDerWaalsContact O-CB 3.32Å; E819-I823 WeakPolarHBondContact O-CB 3.24Å; E819-I823 VanDerWaalsContact O-CG1 3.26Å; E819-I823 WeakPolarHBondContact O-CG1 3.33Å; E819-I823 PolarHBondContact O-N 3.29Å |
| 820 | L | 70.4 | Confident | 67.5 | Low | 97 Ų | 97 | 93.3 Ų | 93.3 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.7 | -36.4 | 173.2 | -172.9 | 65.3 | 0 | 0 | 0 | 111.6 | L816 H824 | L816-L820 WeakPolarHBondContact O-CB 3.32Å; L816-L820 PolarHBondContact O-N 3.47Å; L820-H824 VanDerWaalsContact O-CB 3.24Å; L820-H824 WeakPolarHBondContact O-CB 3.38Å; L820-H824 PolarHBondContact O-N 2.95Å |
| 821 | N | 66.3 | Low | 67.8 | Low | 106 Ų | 106 | 94.6 Ų | 94.6 | 57% | 0.567 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -73.9 | -25.7 | 170.8 | -75.4 | -34.4 | 0 | 0 | 0 | 112.6 | R817 S818 E819 A825 | R817-N821 WeakPolarHBondContact O-CB 3.42Å; R817-N821 PolarHBondContact O-N 3.36Å; R817-N821 PolarHBondContact O-ND2 3.44Å; S818-N821 CarbonylContact O-C 3.55Å; E819-N821 VanDerWaalsContact C-N 3.34Å; E819-N821 PolarHBondContact O-N 2.94Å; N821-A825 WeakPolarHBondContact O-CA 3.4Å; N821-A825 WeakPolarHBondContact O-CB 3.31Å; N821-A825 PolarHBondContact O-N 3.26Å |
| 822 | H | 69.1 | Low | 68.2 | Low | 133 Ų | 133 | 99 Ų | 99 | 62% | 0.616 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -79.1 | -34.4 | 174.9 | -175.4 | 66.7 | 0 | 0 | 0 | 111.4 | S818 E819 S826 | S818-H822 WeakPolarHBondContact O-CA 3.35Å; S818-H822 WeakPolarHBondContact O-CB 3.49Å; S818-H822 PolarHBondContact O-N 3.22Å; E819-H822 CarbonylContact O-C 3.54Å; E819-H822 PolarHBondContact O-N 2.89Å; E819-H822 VanDerWaalsContact O-N 3.11Å; H822-S826 WeakPolarHBondContact O-CA 3.32Å; H822-S826 WeakPolarHBondContact O-CB 3.46Å; H822-S826 PolarHBondContact O-N 3.29Å; H822-S826 PolarHBondContact O-OG 3.09Å |
| 823 | I | 68.8 | Low | 68.6 | Low | 104 Ų | 104 | 98.5 Ų | 98.5 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.8 | -41.9 | 171.7 | -67.6 | 166.1 | 0 | 0 | 0 | 109.7 | E819 S826 A827 | E819-I823 VanDerWaalsContact O-CB 3.32Å; E819-I823 WeakPolarHBondContact O-CB 3.24Å; E819-I823 VanDerWaalsContact O-CG1 3.26Å; E819-I823 WeakPolarHBondContact O-CG1 3.33Å; E819-I823 PolarHBondContact O-N 3.29Å; I823-S826 PolarHBondContact O-OG 2.9Å; I823-A827 WeakPolarHBondContact O-CA 3.3Å; I823-A827 WeakPolarHBondContact O-CB 3.36Å; I823-A827 PolarHBondContact O-N 2.72Å |
| 824 | H | 68.4 | Low | 68.7 | Low | 105 Ų | 105 | 95.2 Ų | 95.2 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.4 | -40.3 | 170.2 | -87.1 | 163.5 | 0 | 0 | 0 | 112.5 | L820 I828 | L820-H824 VanDerWaalsContact O-CB 3.24Å; L820-H824 WeakPolarHBondContact O-CB 3.38Å; L820-H824 PolarHBondContact O-N 2.95Å; H824-I828 HydrophobicContact CB-CD1 4.5Å; H824-I828 WeakPolarHBondContact O-CB 3.14Å; H824-I828 WeakPolarHBondContact O-CD1 3.48Å; H824-I828 WeakPolarHBondContact O-CG1 3.46Å; H824-I828 PolarHBondContact O-N 3.5Å |
| 825 | A | 69.9 | Low | 68.9 | Low | 55 Ų | 55 | 98.2 Ų | 98.2 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.9 | -44.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | N821 I828 E829 | N821-A825 WeakPolarHBondContact O-CA 3.4Å; N821-A825 WeakPolarHBondContact O-CB 3.31Å; N821-A825 PolarHBondContact O-N 3.26Å; A825-I828 PolarHBondContact O-N 3.34Å; A825-E829 WeakPolarHBondContact O-CA 3.48Å; A825-E829 WeakPolarHBondContact O-CB 3.43Å; A825-E829 PolarHBondContact O-N 2.78Å |
| 826 | S | 70.4 | Confident | 69.3 | Low | 56 Ų | 56 | 102.4 Ų | 102.4 | 39% | 0.392 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.1 | -39.7 | 174.7 | 61.4 | 0 | 0 | 0 | 0 | 111.9 | H822 I823 E829 H830 | H822-S826 WeakPolarHBondContact O-CA 3.32Å; H822-S826 WeakPolarHBondContact O-CB 3.46Å; H822-S826 PolarHBondContact O-N 3.29Å; H822-S826 PolarHBondContact O-OG 3.09Å; I823-S826 PolarHBondContact O-OG 2.9Å; S826-E829 PolarHBondContact O-N 2.76Å; S826-H830 WeakPolarHBondContact O-CA 3.14Å; S826-H830 WeakPolarHBondContact O-CB 3.5Å; S826-H830 PolarHBondContact O-N 2.68Å |
| 827 | A | 70.1 | Confident | 69.7 | Low | 51 Ų | 51 | 104 Ų | 104 | 42% | 0.421 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I823 L831 | I823-A827 WeakPolarHBondContact O-CA 3.3Å; I823-A827 WeakPolarHBondContact O-CB 3.36Å; I823-A827 PolarHBondContact O-N 2.72Å; A827-L831 WeakPolarHBondContact O-CA 3.28Å; A827-L831 WeakPolarHBondContact O-CB 3.24Å; A827-L831 PolarHBondContact O-N 3.19Å |
| 828 | I | 73.7 | Confident | 69.8 | Low | 81 Ų | 81 | 101.5 Ų | 101.5 | 42% | 0.415 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.1 | -36.5 | 175.1 | -71.2 | 166.8 | 0 | 0 | 0 | 110.9 | H824 A825 R832 | H824-I828 HydrophobicContact CB-CD1 4.5Å; H824-I828 WeakPolarHBondContact O-CB 3.14Å; H824-I828 WeakPolarHBondContact O-CD1 3.48Å; H824-I828 WeakPolarHBondContact O-CG1 3.46Å; H824-I828 PolarHBondContact O-N 3.5Å; A825-I828 PolarHBondContact O-N 3.34Å; I828-R832 HydrophobicContact CG2-CG 4.39Å; I828-R832 WeakPolarHBondContact O-CA 3.15Å; I828-R832 WeakPolarHBondContact O-CB 3.47Å; I828-R832 WeakPolarHBondContact O-CD 3.06Å; I828-R832 WeakPolarHBondContact O-CG 3.19Å; I828-R832 PolarHBondContact O-N 3.1Å |
| 829 | E | 69 | Low | 70.1 | Confident | 95 Ų | 95 | 99.5 Ų | 99.5 | 44% | 0.444 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -76.5 | -29.4 | 178 | -152 | 73.6 | 168.8 | 0 | 0 | 111.5 | A825 S826 R832 Q833 | A825-E829 WeakPolarHBondContact O-CA 3.48Å; A825-E829 WeakPolarHBondContact O-CB 3.43Å; A825-E829 PolarHBondContact O-N 2.78Å; S826-E829 PolarHBondContact O-N 2.76Å; E829-R832 CarbonylContact O-C 3.5Å; E829-R832 WeakPolarHBondContact OE2-CD 3.43Å; E829-R832 IonicContact OE2-CZ 3.68Å; E829-R832 IonicContact OE2-NE 3.5Å; E829-R832 IonicContact OE2-NH1 3.91Å; E829-R832 PolarHBondContact OE2-NH1 3.37Å; E829-Q833 VanDerWaalsContact O-CB 3.29Å; E829-Q833 WeakPolarHBondContact O-CB 3.42Å; E829-Q833 VanDerWaalsContact O-CG 3.22Å; E829-Q833 WeakPolarHBondContact O-CG 3.48Å; E829-Q833 PolarHBondContact O-N 3.26Å |
| 830 | H | 70.8 | Confident | 70.1 | Confident | 120 Ų | 120 | 96.3 Ų | 96.3 | 56% | 0.556 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -79.9 | -32.4 | 173.1 | -159.9 | -46.3 | 0 | 0 | 0 | 111.3 | S826 Q833 T834 | S826-H830 WeakPolarHBondContact O-CA 3.14Å; S826-H830 WeakPolarHBondContact O-CB 3.5Å; S826-H830 PolarHBondContact O-N 2.68Å; H830-Q833 PolarHBondContact O-N 2.76Å; H830-T834 WeakPolarHBondContact O-CG2 3.31Å; H830-T834 PolarHBondContact O-N 3.08Å; H830-T834 PolarHBondContact O-OG1 3.27Å |
| 831 | L | 70.6 | Confident | 70.1 | Confident | 126 Ų | 126 | 94 Ų | 94 | 66% | 0.66 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -74.4 | -30 | 168.8 | -151.8 | 83 | 0 | 0 | 0 | 111.1 | A827 T834 H835 | A827-L831 WeakPolarHBondContact O-CA 3.28Å; A827-L831 WeakPolarHBondContact O-CB 3.24Å; A827-L831 PolarHBondContact O-N 3.19Å; L831-T834 WeakPolarHBondContact CA-OG1 3.44Å; L831-T834 PolarHBondContact O-OG1 3.38Å; L831-H835 WeakPolarHBondContact O-CA 3.38Å; L831-H835 WeakPolarHBondContact O-CB 3.45Å; L831-H835 PolarHBondContact O-N 3.3Å |
| 832 | R | 72.9 | Confident | 70.3 | Confident | 151 Ų | 151 | 91.8 Ų | 91.8 | 57% | 0.57 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -71.3 | -35.9 | 166.3 | -78.5 | 163.9 | 178.4 | 168.3 | 1.2 | 110.9 | I828 E829 H836 | I828-R832 HydrophobicContact CG2-CG 4.39Å; I828-R832 WeakPolarHBondContact O-CA 3.15Å; I828-R832 WeakPolarHBondContact O-CB 3.47Å; I828-R832 WeakPolarHBondContact O-CD 3.06Å; I828-R832 WeakPolarHBondContact O-CG 3.19Å; I828-R832 PolarHBondContact O-N 3.1Å; E829-R832 CarbonylContact O-C 3.5Å; E829-R832 WeakPolarHBondContact OE2-CD 3.43Å; E829-R832 IonicContact OE2-CZ 3.68Å; E829-R832 IonicContact OE2-NE 3.5Å; E829-R832 IonicContact OE2-NH1 3.91Å; E829-R832 PolarHBondContact OE2-NH1 3.37Å; R832-H836 WeakPolarHBondContact O-CA 3.42Å; R832-H836 WeakPolarHBondContact O-CB 3.47Å; R832-H836 PolarHBondContact O-N 3.09Å |
| 833 | Q | 68.6 | Low | 70.2 | Confident | 109 Ų | 109 | 91.1 Ų | 91.1 | 51% | 0.509 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -72.3 | -42 | 175.8 | -81.3 | 177.1 | 7.4 | 0 | 0 | 111.2 | E829 H830 H836 Q837 | E829-Q833 VanDerWaalsContact O-CB 3.29Å; E829-Q833 WeakPolarHBondContact O-CB 3.42Å; E829-Q833 VanDerWaalsContact O-CG 3.22Å; E829-Q833 WeakPolarHBondContact O-CG 3.48Å; E829-Q833 PolarHBondContact O-N 3.26Å; H830-Q833 PolarHBondContact O-N 2.76Å; Q833-H836 PolarHBondContact O-N 3.41Å; Q833-Q837 WeakPolarHBondContact O-CB 3.13Å; Q833-Q837 WeakPolarHBondContact O-CG 3.48Å; Q833-Q837 PolarHBondContact O-N 2.84Å |
| 834 | T | 69.6 | Low | 70.3 | Confident | 35 Ų | 35 | 88.6 Ų | 88.6 | 22% | 0.215 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -66.4 | -49.4 | 170.9 | 60 | 0 | 0 | 0 | 0 | 110.1 | H830 L831 H836 Q837 E838 | H830-T834 WeakPolarHBondContact O-CG2 3.31Å; H830-T834 PolarHBondContact O-N 3.08Å; H830-T834 PolarHBondContact O-OG1 3.27Å; L831-T834 WeakPolarHBondContact CA-OG1 3.44Å; L831-T834 PolarHBondContact O-OG1 3.38Å; T834-H836 PolarHBondContact O-N 3.44Å; T834-Q837 CarbonylContact O-C 3.54Å; T834-Q837 PolarHBondContact O-N 3.41Å; T834-Q837 VanDerWaalsContact O-N 3.1Å; T834-E838 WeakPolarHBondContact O-CA 3.39Å; T834-E838 WeakPolarHBondContact O-CB 3.14Å; T834-E838 WeakPolarHBondContact O-CG 3.17Å; T834-E838 PolarHBondContact O-N 2.98Å |
| 835 | H | 69.4 | Low | 70.4 | Confident | 124 Ų | 124 | 89.9 Ų | 89.9 | 57% | 0.574 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64 | -25.1 | 175.8 | -174.4 | -82 | 0 | 0 | 0 | 113.2 | L831 S839 | L831-H835 WeakPolarHBondContact O-CA 3.38Å; L831-H835 WeakPolarHBondContact O-CB 3.45Å; L831-H835 PolarHBondContact O-N 3.3Å; H835-S839 WeakPolarHBondContact O-CA 3.05Å; H835-S839 WeakPolarHBondContact O-CB 3.45Å; H835-S839 PolarHBondContact O-N 3.4Å |
| 836 | H | 72.3 | Confident | 70.3 | Confident | 141 Ų | 141 | 92 Ų | 92 | 65% | 0.653 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -83.8 | -30.2 | 173.8 | -169.2 | 93.1 | 0 | 0 | 0 | 111.5 | R832 Q833 T834 A840 | R832-H836 WeakPolarHBondContact O-CA 3.42Å; R832-H836 WeakPolarHBondContact O-CB 3.47Å; R832-H836 PolarHBondContact O-N 3.09Å; Q833-H836 PolarHBondContact O-N 3.41Å; T834-H836 PolarHBondContact O-N 3.44Å; H836-A840 WeakPolarHBondContact O-CA 3.49Å; H836-A840 WeakPolarHBondContact O-CB 3.44Å; H836-A840 PolarHBondContact O-N 2.92Å |
| 837 | Q | 69.9 | Low | 70.4 | Confident | 129 Ų | 129 | 95.1 Ų | 95.1 | 60% | 0.603 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -75.4 | -37 | 170.4 | -75.2 | 170.9 | 1.2 | 0 | 0 | 111.7 | Q833 T834 A841 | Q833-Q837 WeakPolarHBondContact O-CB 3.13Å; Q833-Q837 WeakPolarHBondContact O-CG 3.48Å; Q833-Q837 PolarHBondContact O-N 2.84Å; T834-Q837 CarbonylContact O-C 3.54Å; T834-Q837 PolarHBondContact O-N 3.41Å; T834-Q837 VanDerWaalsContact O-N 3.1Å; Q837-A841 WeakPolarHBondContact O-CA 3.18Å; Q837-A841 WeakPolarHBondContact O-CB 3.41Å; Q837-A841 PolarHBondContact O-N 3.28Å |
| 838 | E | 71.5 | Confident | 70.4 | Confident | 118 Ų | 118 | 98.6 Ų | 98.6 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -75.1 | -38.7 | 173.7 | -70.3 | 163 | -168.2 | 0 | 0 | 110.5 | T834 A842 | T834-E838 WeakPolarHBondContact O-CA 3.39Å; T834-E838 WeakPolarHBondContact O-CB 3.14Å; T834-E838 WeakPolarHBondContact O-CG 3.17Å; T834-E838 PolarHBondContact O-N 2.98Å; E838-A842 WeakPolarHBondContact O-CA 3.17Å; E838-A842 WeakPolarHBondContact O-CB 3.04Å; E838-A842 PolarHBondContact O-N 2.63Å |
| 839 | S | 69.4 | Low | 70.3 | Confident | 39 Ų | 39 | 98.1 Ų | 98.1 | 27% | 0.273 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -74.7 | -29.6 | 171.1 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | H835 K843 | H835-S839 WeakPolarHBondContact O-CA 3.05Å; H835-S839 WeakPolarHBondContact O-CB 3.45Å; H835-S839 PolarHBondContact O-N 3.4Å; S839-K843 WeakPolarHBondContact O-CA 3.05Å; S839-K843 WeakPolarHBondContact O-CB 3.21Å; S839-K843 WeakPolarHBondContact O-CD 3.43Å; S839-K843 WeakPolarHBondContact O-CG 3.15Å; S839-K843 PolarHBondContact O-N 3.35Å |
| 840 | A | 71.2 | Confident | 70.4 | Confident | 47 Ų | 47 | 97.8 Ų | 97.8 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -76.2 | -32.6 | 170 | 0 | 0 | 0 | 0 | 0 | 112.1 | H836 A844 | H836-A840 WeakPolarHBondContact O-CA 3.49Å; H836-A840 WeakPolarHBondContact O-CB 3.44Å; H836-A840 PolarHBondContact O-N 2.92Å; A840-A844 WeakPolarHBondContact O-CA 3.22Å; A840-A844 WeakPolarHBondContact O-CB 3.2Å; A840-A844 PolarHBondContact O-N 3.32Å |
| 841 | A | 70.8 | Confident | 70.5 | Confident | 50 Ų | 50 | 98 Ų | 98 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -74.5 | -42.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q837 K843 A844 E845 | Q837-A841 WeakPolarHBondContact O-CA 3.18Å; Q837-A841 WeakPolarHBondContact O-CB 3.41Å; Q837-A841 PolarHBondContact O-N 3.28Å; A841-K843 VanDerWaalsContact C-N 3.33Å; A841-A844 CarbonylContact O-C 3.53Å; A841-A844 PolarHBondContact O-N 2.72Å; A841-E845 VanDerWaalsContact O-CB 3.27Å; A841-E845 WeakPolarHBondContact O-CB 3.18Å; A841-E845 WeakPolarHBondContact O-CG 3.09Å; A841-E845 PolarHBondContact O-N 2.74Å |
| 842 | A | 69.4 | Low | 70.6 | Confident | 58 Ų | 58 | 95.7 Ų | 95.7 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.8 | -28.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | E838 L846 | E838-A842 WeakPolarHBondContact O-CA 3.17Å; E838-A842 WeakPolarHBondContact O-CB 3.04Å; E838-A842 PolarHBondContact O-N 2.63Å; A842-L846 WeakPolarHBondContact O-CA 2.94Å; A842-L846 WeakPolarHBondContact O-CB 3.42Å; A842-L846 PolarHBondContact O-N 2.69Å |
| 843 | K | 67.1 | Low | 70.3 | Confident | 119 Ų | 119 | 92.6 Ų | 92.6 | 52% | 0.517 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -73.5 | -38.2 | 166.9 | -79.7 | 168.3 | -174.5 | 173.3 | 0 | 112.2 | S839 A841 L846 E847 | S839-K843 WeakPolarHBondContact O-CA 3.05Å; S839-K843 WeakPolarHBondContact O-CB 3.21Å; S839-K843 WeakPolarHBondContact O-CD 3.43Å; S839-K843 WeakPolarHBondContact O-CG 3.15Å; S839-K843 PolarHBondContact O-N 3.35Å; A841-K843 VanDerWaalsContact C-N 3.33Å; K843-L846 CarbonylContact O-C 3.57Å; K843-L846 PolarHBondContact O-N 3.49Å; K843-E847 WeakPolarHBondContact O-CA 3.25Å; K843-E847 WeakPolarHBondContact O-CB 3.33Å; K843-E847 WeakPolarHBondContact O-CG 3.04Å; K843-E847 PolarHBondContact O-N 2.72Å |
| 844 | A | 70.9 | Confident | 70.3 | Confident | 52 Ų | 52 | 91.1 Ų | 91.1 | 43% | 0.43 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -73.4 | -29.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A840 A841 K848 | A840-A844 WeakPolarHBondContact O-CA 3.22Å; A840-A844 WeakPolarHBondContact O-CB 3.2Å; A840-A844 PolarHBondContact O-N 3.32Å; A841-A844 CarbonylContact O-C 3.53Å; A841-A844 PolarHBondContact O-N 2.72Å; A844-K848 WeakPolarHBondContact O-CA 3.49Å; A844-K848 WeakPolarHBondContact O-CB 3.37Å; A844-K848 PolarHBondContact O-N 2.74Å |
| 845 | E | 70.3 | Confident | 70.3 | Confident | 131 Ų | 131 | 92.2 Ų | 92.2 | 61% | 0.612 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -76.5 | -36.3 | 168.9 | -75.6 | -164.2 | 143 | 0 | 0 | 111 | A841 K848 V849 | A841-E845 VanDerWaalsContact O-CB 3.27Å; A841-E845 WeakPolarHBondContact O-CB 3.18Å; A841-E845 WeakPolarHBondContact O-CG 3.09Å; A841-E845 PolarHBondContact O-N 2.74Å; E845-K848 CarbonylContact O-C 3.56Å; E845-V849 WeakPolarHBondContact O-CA 3.2Å; E845-V849 WeakPolarHBondContact O-CB 3.46Å; E845-V849 WeakPolarHBondContact O-CG2 2.99Å; E845-V849 PolarHBondContact O-N 2.84Å |
| 846 | L | 69.1 | Low | 70.4 | Confident | 100 Ų | 100 | 91.6 Ų | 91.6 | 52% | 0.524 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69 | -38.4 | 171.1 | -177.2 | 64.1 | 0 | 0 | 0 | 111.5 | A842 K843 V849 L850 | A842-L846 WeakPolarHBondContact O-CA 2.94Å; A842-L846 WeakPolarHBondContact O-CB 3.42Å; A842-L846 PolarHBondContact O-N 2.69Å; K843-L846 CarbonylContact O-C 3.57Å; K843-L846 PolarHBondContact O-N 3.49Å; L846-V849 CarbonylContact O-C 3.59Å; L846-V849 PolarHBondContact O-N 2.89Å; L846-L850 HydrophobicContact CD1-CD1 4.44Å; L846-L850 HydrophobicContact CD1-CG 4.46Å; L846-L850 HydrophobicContact CG-CD1 4.04Å; L846-L850 HydrophobicContact CG-CG 4.48Å; L846-L850 WeakPolarHBondContact O-CB 3.48Å; L846-L850 WeakPolarHBondContact O-CD1 3.47Å; L846-L850 WeakPolarHBondContact O-CG 3.1Å; L846-L850 PolarHBondContact O-N 2.74Å |
| 847 | E | 70.9 | Confident | 70 | Confident | 121 Ų | 121 | 90.5 Ų | 90.5 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -70.7 | -38.2 | 174.3 | -77.2 | 170.9 | 166.1 | 0 | 0 | 110.2 | K843 L850 E851 | K843-E847 WeakPolarHBondContact O-CA 3.25Å; K843-E847 WeakPolarHBondContact O-CB 3.33Å; K843-E847 WeakPolarHBondContact O-CG 3.04Å; K843-E847 PolarHBondContact O-N 2.72Å; E847-L850 CarbonylContact O-C 3.58Å; E847-L850 PolarHBondContact O-N 2.65Å; E847-E851 VanDerWaalsContact O-CB 3.27Å; E847-E851 WeakPolarHBondContact O-CB 3.45Å; E847-E851 VanDerWaalsContact O-CG 3.3Å; E847-E851 WeakPolarHBondContact O-CG 3.46Å; E847-E851 PolarHBondContact O-N 3.25Å |
| 848 | K | 70.8 | Confident | 70.1 | Confident | 124 Ų | 124 | 90.7 Ų | 90.7 | 54% | 0.539 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.8 | -30.4 | 170.7 | -179.9 | 179.3 | 177.3 | -174.4 | 0 | 112.8 | A844 E845 N852 | A844-K848 WeakPolarHBondContact O-CA 3.49Å; A844-K848 WeakPolarHBondContact O-CB 3.37Å; A844-K848 PolarHBondContact O-N 2.74Å; E845-K848 CarbonylContact O-C 3.56Å; K848-N852 WeakPolarHBondContact O-CB 3.3Å; K848-N852 PolarHBondContact O-N 3.37Å; K848-N852 PolarHBondContact O-ND2 2.72Å |
| 849 | V | 71.9 | Confident | 70.3 | Confident | 72 Ų | 72 | 90 Ų | 90 | 44% | 0.436 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -76.9 | -32.2 | 171.8 | 165.2 | 0 | 0 | 0 | 0 | 110.3 | E845 L846 N853 | E845-V849 WeakPolarHBondContact O-CA 3.2Å; E845-V849 WeakPolarHBondContact O-CB 3.46Å; E845-V849 WeakPolarHBondContact O-CG2 2.99Å; E845-V849 PolarHBondContact O-N 2.84Å; L846-V849 CarbonylContact O-C 3.59Å; L846-V849 PolarHBondContact O-N 2.89Å; V849-N853 WeakPolarHBondContact O-CB 3.13Å; V849-N853 PolarHBondContact O-N 3.44Å; V849-N853 PolarHBondContact O-ND2 3.1Å |
| 850 | L | 71.3 | Confident | 70.4 | Confident | 87 Ų | 87 | 93.4 Ų | 93.4 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -75.1 | -34.3 | 171.3 | -75.5 | 167.5 | 0 | 0 | 0 | 111.3 | L846 E847 N853 Q854 | L846-L850 HydrophobicContact CD1-CD1 4.44Å; L846-L850 HydrophobicContact CD1-CG 4.46Å; L846-L850 HydrophobicContact CG-CD1 4.04Å; L846-L850 HydrophobicContact CG-CG 4.48Å; L846-L850 WeakPolarHBondContact O-CB 3.48Å; L846-L850 WeakPolarHBondContact O-CD1 3.47Å; L846-L850 WeakPolarHBondContact O-CG 3.1Å; L846-L850 PolarHBondContact O-N 2.74Å; E847-L850 CarbonylContact O-C 3.58Å; E847-L850 PolarHBondContact O-N 2.65Å; L850-N853 PolarHBondContact O-N 3.34Å; L850-Q854 WeakPolarHBondContact O-CB 3.26Å; L850-Q854 WeakPolarHBondContact O-CG 3.31Å; L850-Q854 PolarHBondContact O-N 3.05Å |
| 851 | E | 72.1 | Confident | 70.5 | Confident | 124 Ų | 124 | 95.7 Ų | 95.7 | 58% | 0.579 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.3 | -43.5 | 170.1 | -80.2 | -173.4 | 150.4 | 0 | 0 | 109.9 | E847 N853 Q854 T855 | E847-E851 VanDerWaalsContact O-CB 3.27Å; E847-E851 WeakPolarHBondContact O-CB 3.45Å; E847-E851 VanDerWaalsContact O-CG 3.3Å; E847-E851 WeakPolarHBondContact O-CG 3.46Å; E847-E851 PolarHBondContact O-N 3.25Å; E851-N853 VanDerWaalsContact C-N 3.35Å; E851-Q854 CarbonylContact O-C 3.59Å; E851-Q854 PolarHBondContact O-N 3.24Å; E851-T855 WeakPolarHBondContact O-CG2 3.38Å; E851-T855 PolarHBondContact O-N 3.45Å; E851-T855 PolarHBondContact O-OG1 3.14Å |
| 852 | N | 72.5 | Confident | 70.4 | Confident | 79 Ų | 79 | 95.9 Ų | 95.9 | 42% | 0.422 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65 | -36 | 172.6 | -75.8 | -20.2 | 0 | 0 | 0 | 112.2 | K848 T855 Q856 | K848-N852 WeakPolarHBondContact O-CB 3.3Å; K848-N852 PolarHBondContact O-N 3.37Å; K848-N852 PolarHBondContact O-ND2 2.72Å; N852-T855 WeakPolarHBondContact CA-OG1 3.39Å; N852-T855 PolarHBondContact O-OG1 3Å; N852-T855 VanDerWaalsContact O-OG1 3.08Å; N852-Q856 WeakPolarHBondContact O-CB 3.49Å; N852-Q856 WeakPolarHBondContact O-CG 3.13Å; N852-Q856 PolarHBondContact O-N 3.03Å |
| 853 | N | 66.8 | Low | 70.8 | Confident | 86 Ų | 86 | 99.7 Ų | 99.7 | 46% | 0.46 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72 | -33.6 | 172.1 | -88.5 | -90.5 | 0 | 0 | 0 | 110.7 | V849 L850 E851 Q856 E857 | V849-N853 WeakPolarHBondContact O-CB 3.13Å; V849-N853 PolarHBondContact O-N 3.44Å; V849-N853 PolarHBondContact O-ND2 3.1Å; L850-N853 PolarHBondContact O-N 3.34Å; E851-N853 VanDerWaalsContact C-N 3.35Å; N853-Q856 CarbonylContact O-C 3.57Å; N853-E857 WeakPolarHBondContact O-CA 3.44Å; N853-E857 WeakPolarHBondContact O-CB 3.48Å; N853-E857 PolarHBondContact O-N 3.47Å |
| 854 | Q | 68.5 | Low | 71.1 | Confident | 78 Ų | 78 | 97.9 Ų | 97.9 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -77.8 | -26 | 174.8 | -75.5 | 173 | 30 | 0 | 0 | 112.6 | L850 E851 R858 | L850-Q854 WeakPolarHBondContact O-CB 3.26Å; L850-Q854 WeakPolarHBondContact O-CG 3.31Å; L850-Q854 PolarHBondContact O-N 3.05Å; E851-Q854 CarbonylContact O-C 3.59Å; E851-Q854 PolarHBondContact O-N 3.24Å; Q854-R858 VanDerWaalsContact CB-NH1 3.34Å; Q854-R858 VanDerWaalsContact O-CB 3.22Å; Q854-R858 WeakPolarHBondContact O-CB 3.13Å; Q854-R858 VanDerWaalsContact O-CD 3.29Å; Q854-R858 WeakPolarHBondContact O-CD 3.21Å; Q854-R858 WeakPolarHBondContact O-CG 3.08Å; Q854-R858 PolarHBondContact O-N 3.04Å; Q854-R858 PolarHBondContact O-NH1 2.68Å |
| 855 | T | 71.1 | Confident | 71.4 | Confident | 58 Ų | 58 | 98.3 Ų | 98.3 | 36% | 0.356 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -75.5 | -45.2 | 167.6 | 55.1 | 0 | 0 | 0 | 0 | 108.8 | E851 N852 E857 R858 D859 | E851-T855 WeakPolarHBondContact O-CG2 3.38Å; E851-T855 PolarHBondContact O-N 3.45Å; E851-T855 PolarHBondContact O-OG1 3.14Å; N852-T855 WeakPolarHBondContact CA-OG1 3.39Å; N852-T855 PolarHBondContact O-OG1 3Å; N852-T855 VanDerWaalsContact O-OG1 3.08Å; T855-E857 VanDerWaalsContact C-N 3.25Å; T855-E857 PolarHBondContact O-N 3.27Å; T855-R858 CarbonylContact O-C 3.56Å; T855-R858 PolarHBondContact O-N 3.32Å; T855-R858 VanDerWaalsContact O-N 3.1Å; T855-D859 VanDerWaalsContact O-CB 3.23Å; T855-D859 WeakPolarHBondContact O-CB 3.14Å; T855-D859 PolarHBondContact O-N 2.82Å |
| 856 | Q | 70 | Confident | 71.6 | Confident | 111 Ų | 111 | 95.7 Ų | 95.7 | 52% | 0.519 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59 | -34.8 | 169.9 | -74 | 174.3 | 3.2 | 0 | 0 | 112.6 | N852 N853 D859 L860 | N852-Q856 WeakPolarHBondContact O-CB 3.49Å; N852-Q856 WeakPolarHBondContact O-CG 3.13Å; N852-Q856 PolarHBondContact O-N 3.03Å; N853-Q856 CarbonylContact O-C 3.57Å; Q856-D859 PolarHBondContact O-N 3.02Å; Q856-L860 WeakPolarHBondContact O-CB 3.5Å; Q856-L860 WeakPolarHBondContact O-CD1 3.17Å; Q856-L860 WeakPolarHBondContact O-CG 3.22Å; Q856-L860 PolarHBondContact O-N 3.18Å |
| 857 | E | 64.5 | Low | 71.8 | Confident | 117 Ų | 117 | 95.2 Ų | 95.2 | 55% | 0.547 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -75.3 | -36.2 | 174.9 | -173.7 | 175.5 | -139.2 | 0 | 0 | 111 | N853 T855 L861 | N853-E857 WeakPolarHBondContact O-CA 3.44Å; N853-E857 WeakPolarHBondContact O-CB 3.48Å; N853-E857 PolarHBondContact O-N 3.47Å; T855-E857 VanDerWaalsContact C-N 3.25Å; T855-E857 PolarHBondContact O-N 3.27Å; E857-L861 HydrophobicContact CG-CD1 4.07Å; E857-L861 HydrophobicContact CG-CG 4.48Å; E857-L861 WeakPolarHBondContact O-CA 3.36Å; E857-L861 WeakPolarHBondContact O-CB 3.18Å; E857-L861 WeakPolarHBondContact O-CD1 3.47Å; E857-L861 WeakPolarHBondContact O-CG 3.06Å; E857-L861 PolarHBondContact O-N 3.4Å |
| 858 | R | 72.9 | Confident | 71.8 | Confident | 133 Ų | 133 | 95 Ų | 95 | 50% | 0.502 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.7 | -31.8 | 169.4 | -74.8 | 164.1 | -162 | 120.4 | 6.6 | 112.7 | Q854 T855 S862 | Q854-R858 VanDerWaalsContact CB-NH1 3.34Å; Q854-R858 VanDerWaalsContact O-CB 3.22Å; Q854-R858 WeakPolarHBondContact O-CB 3.13Å; Q854-R858 VanDerWaalsContact O-CD 3.29Å; Q854-R858 WeakPolarHBondContact O-CD 3.21Å; Q854-R858 WeakPolarHBondContact O-CG 3.08Å; Q854-R858 PolarHBondContact O-N 3.04Å; Q854-R858 PolarHBondContact O-NH1 2.68Å; T855-R858 CarbonylContact O-C 3.56Å; T855-R858 PolarHBondContact O-N 3.32Å; T855-R858 VanDerWaalsContact O-N 3.1Å; R858-S862 WeakPolarHBondContact O-CA 3.2Å; R858-S862 WeakPolarHBondContact O-CB 3.48Å; R858-S862 PolarHBondContact O-N 2.78Å |
| 859 | D | 74 | Confident | 72 | Confident | 104 Ų | 104 | 94.2 Ų | 94.2 | 56% | 0.556 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -79.6 | -35.7 | 178.1 | -66.1 | -23.4 | 0 | 0 | 0 | 109.8 | T855 Q856 R863 | T855-D859 VanDerWaalsContact O-CB 3.23Å; T855-D859 WeakPolarHBondContact O-CB 3.14Å; T855-D859 PolarHBondContact O-N 2.82Å; Q856-D859 PolarHBondContact O-N 3.02Å; D859-R863 WeakPolarHBondContact O-CB 3.07Å; D859-R863 PolarHBondContact O-N 3.46Å |
| 860 | L | 72.6 | Confident | 72.2 | Confident | 110 Ų | 110 | 93.6 Ų | 93.6 | 58% | 0.576 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -72.5 | -35 | 169.4 | -74.4 | 167.9 | 0 | 0 | 0 | 111.4 | Q856 R863 I864 | Q856-L860 WeakPolarHBondContact O-CB 3.5Å; Q856-L860 WeakPolarHBondContact O-CD1 3.17Å; Q856-L860 WeakPolarHBondContact O-CG 3.22Å; Q856-L860 PolarHBondContact O-N 3.18Å; L860-R863 CarbonylContact O-C 3.6Å; L860-R863 PolarHBondContact O-N 3.26Å; L860-I864 VanDerWaalsContact O-CB 3.24Å; L860-I864 WeakPolarHBondContact O-CB 3.43Å; L860-I864 WeakPolarHBondContact O-CD1 3.13Å; L860-I864 WeakPolarHBondContact O-CG1 3.13Å; L860-I864 PolarHBondContact O-N 3.06Å |
| 861 | L | 72.6 | Confident | 72.5 | Confident | 95 Ų | 95 | 92.9 Ų | 92.9 | 50% | 0.497 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -72.2 | -37.5 | 171.5 | -75.3 | 168 | 0 | 0 | 0 | 111.2 | E857 R863 I864 S865 | E857-L861 HydrophobicContact CG-CD1 4.07Å; E857-L861 HydrophobicContact CG-CG 4.48Å; E857-L861 WeakPolarHBondContact O-CA 3.36Å; E857-L861 WeakPolarHBondContact O-CB 3.18Å; E857-L861 WeakPolarHBondContact O-CD1 3.47Å; E857-L861 WeakPolarHBondContact O-CG 3.06Å; E857-L861 PolarHBondContact O-N 3.4Å; L861-R863 VanDerWaalsContact C-N 3.34Å; L861-I864 CarbonylContact O-C 3.55Å; L861-I864 PolarHBondContact O-N 3.43Å; L861-S865 WeakPolarHBondContact O-CB 3.47Å; L861-S865 PolarHBondContact O-N 3.25Å; L861-S865 PolarHBondContact O-OG 3.48Å |
| 862 | S | 69.8 | Low | 72.6 | Confident | 54 Ų | 54 | 90.1 Ų | 90.1 | 38% | 0.378 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 167.7 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | R858 I864 S865 E866 | R858-S862 WeakPolarHBondContact O-CA 3.2Å; R858-S862 WeakPolarHBondContact O-CB 3.48Å; R858-S862 PolarHBondContact O-N 2.78Å; S862-I864 VanDerWaalsContact C-N 3.33Å; S862-I864 PolarHBondContact O-N 3.19Å; S862-S865 CarbonylContact O-C 3.57Å; S862-S865 WeakPolarHBondContact O-CA 3.12Å; S862-S865 WeakPolarHBondContact O-CB 2.88Å; S862-S865 PolarHBondContact O-N 3.04Å; S862-S865 VanDerWaalsContact O-N 3.08Å; S862-E866 WeakPolarHBondContact O-CB 3.12Å; S862-E866 VanDerWaalsContact O-CG 3.26Å; S862-E866 WeakPolarHBondContact O-CG 3.47Å; S862-E866 PolarHBondContact O-N 2.84Å; S862-E866 PolarHBondContact OG-OE1 2.66Å |
| 863 | R | 76.8 | Confident | 72.8 | Confident | 139 Ų | 139 | 93 Ų | 93 | 53% | 0.525 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.4 | -33.8 | 178.5 | -168 | 55.3 | 166.2 | -173.6 | -2.8 | 112.5 | D859 L860 L861 E866 L867 | D859-R863 WeakPolarHBondContact O-CB 3.07Å; D859-R863 PolarHBondContact O-N 3.46Å; L860-R863 CarbonylContact O-C 3.6Å; L860-R863 PolarHBondContact O-N 3.26Å; L861-R863 VanDerWaalsContact C-N 3.34Å; R863-E866 WeakPolarHBondContact CD-OE2 3.41Å; R863-E866 IonicContact CZ-OE2 2.9Å; R863-E866 IonicContact NE-OE2 3.21Å; R863-E866 IonicContact NH1-OE2 3.38Å; R863-E866 PolarHBondContact NH1-OE2 2.68Å; R863-L867 HydrophobicContact CG-CD1 4.17Å; R863-L867 WeakPolarHBondContact O-CB 3.45Å; R863-L867 WeakPolarHBondContact O-CD1 3.42Å; R863-L867 WeakPolarHBondContact O-CG 3.09Å; R863-L867 PolarHBondContact O-N 2.65Å |
| 864 | I | 74.3 | Confident | 73.2 | Confident | 81 Ų | 81 | 96 Ų | 96 | 42% | 0.415 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.6 | -37.5 | 170.9 | -74.5 | 162.1 | 0 | 0 | 0 | 110 | L860 L861 S862 L867 Q868 | L860-I864 VanDerWaalsContact O-CB 3.24Å; L860-I864 WeakPolarHBondContact O-CB 3.43Å; L860-I864 WeakPolarHBondContact O-CD1 3.13Å; L860-I864 WeakPolarHBondContact O-CG1 3.13Å; L860-I864 PolarHBondContact O-N 3.06Å; L861-I864 CarbonylContact O-C 3.55Å; L861-I864 PolarHBondContact O-N 3.43Å; S862-I864 VanDerWaalsContact C-N 3.33Å; S862-I864 PolarHBondContact O-N 3.19Å; I864-L867 CarbonylContact O-C 3.49Å; I864-L867 PolarHBondContact O-N 2.71Å; I864-Q868 HydrophobicContact CG2-CG 4.33Å; I864-Q868 WeakPolarHBondContact O-CB 3.13Å; I864-Q868 WeakPolarHBondContact O-CG 3.47Å; I864-Q868 PolarHBondContact O-N 3.4Å |
| 865 | S | 76.1 | Confident | 73.5 | Confident | 61 Ų | 61 | 98.8 Ų | 98.8 | 43% | 0.427 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69 | -39.4 | 173.3 | -67.4 | 0 | 0 | 0 | 0 | 112.2 | L861 S862 Q868 E869 | L861-S865 WeakPolarHBondContact O-CB 3.47Å; L861-S865 PolarHBondContact O-N 3.25Å; L861-S865 PolarHBondContact O-OG 3.48Å; S862-S865 CarbonylContact O-C 3.57Å; S862-S865 WeakPolarHBondContact O-CA 3.12Å; S862-S865 WeakPolarHBondContact O-CB 2.88Å; S862-S865 PolarHBondContact O-N 3.04Å; S862-S865 VanDerWaalsContact O-N 3.08Å; S865-Q868 CarbonylContact O-C 3.59Å; S865-Q868 PolarHBondContact O-N 2.71Å; S865-E869 VanDerWaalsContact O-CB 3.29Å; S865-E869 WeakPolarHBondContact O-CB 3.4Å; S865-E869 PolarHBondContact O-N 2.9Å |
| 866 | E | 75.1 | Confident | 73.5 | Confident | 75 Ų | 75 | 98.8 Ų | 98.8 | 35% | 0.35 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 171.5 | -72.9 | 159.7 | -135.8 | 0 | 0 | 111.1 | S862 R863 E870 | S862-E866 WeakPolarHBondContact O-CB 3.12Å; S862-E866 VanDerWaalsContact O-CG 3.26Å; S862-E866 WeakPolarHBondContact O-CG 3.47Å; S862-E866 PolarHBondContact O-N 2.84Å; S862-E866 PolarHBondContact OG-OE1 2.66Å; R863-E866 WeakPolarHBondContact CD-OE2 3.41Å; R863-E866 IonicContact CZ-OE2 2.9Å; R863-E866 IonicContact NE-OE2 3.21Å; R863-E866 IonicContact NH1-OE2 3.38Å; R863-E866 PolarHBondContact NH1-OE2 2.68Å; E866-E870 WeakPolarHBondContact O-CB 3.38Å; E866-E870 PolarHBondContact O-N 2.77Å |
| 867 | L | 73.4 | Confident | 73.9 | Confident | 91 Ų | 91 | 98.4 Ų | 98.4 | 48% | 0.476 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -75.2 | -30.4 | 175.5 | -73.1 | 168.8 | 0 | 0 | 0 | 111.9 | R863 I864 V871 | R863-L867 HydrophobicContact CG-CD1 4.17Å; R863-L867 WeakPolarHBondContact O-CB 3.45Å; R863-L867 WeakPolarHBondContact O-CD1 3.42Å; R863-L867 WeakPolarHBondContact O-CG 3.09Å; R863-L867 PolarHBondContact O-N 2.65Å; I864-L867 CarbonylContact O-C 3.49Å; I864-L867 PolarHBondContact O-N 2.71Å; L867-V871 WeakPolarHBondContact O-CB 3.43Å; L867-V871 WeakPolarHBondContact O-CG2 3.18Å; L867-V871 PolarHBondContact O-N 3.23Å |
| 868 | Q | 71.3 | Confident | 74.6 | Confident | 117 Ų | 117 | 97.3 Ų | 97.3 | 55% | 0.547 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -73.4 | -36 | 170.5 | -78 | 173.2 | 6.7 | 0 | 0 | 111.3 | I864 S865 V871 S872 | I864-Q868 HydrophobicContact CG2-CG 4.33Å; I864-Q868 WeakPolarHBondContact O-CB 3.13Å; I864-Q868 WeakPolarHBondContact O-CG 3.47Å; I864-Q868 PolarHBondContact O-N 3.4Å; S865-Q868 CarbonylContact O-C 3.59Å; S865-Q868 PolarHBondContact O-N 2.71Å; Q868-V871 CarbonylContact O-C 3.54Å; Q868-S872 WeakPolarHBondContact O-CB 3.4Å; Q868-S872 PolarHBondContact O-N 3.16Å; Q868-S872 PolarHBondContact O-OG 3.45Å |
| 869 | E | 74.1 | Confident | 74.7 | Confident | 107 Ų | 107 | 93.5 Ų | 93.5 | 50% | 0.5 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.2 | -44.4 | 168.8 | -88.7 | -160.5 | -144.9 | 0 | 0 | 110.5 | S865 S872 R873 | S865-E869 VanDerWaalsContact O-CB 3.29Å; S865-E869 WeakPolarHBondContact O-CB 3.4Å; S865-E869 PolarHBondContact O-N 2.9Å; E869-S872 CarbonylContact O-C 3.58Å; E869-S872 WeakPolarHBondContact O-CA 3.32Å; E869-S872 WeakPolarHBondContact O-CB 3.43Å; E869-S872 PolarHBondContact O-N 3.46Å; E869-R873 WeakPolarHBondContact O-CB 3.35Å; E869-R873 WeakPolarHBondContact O-CG 3.02Å; E869-R873 PolarHBondContact O-N 3.4Å; E869-R873 IonicContact OE2-CZ 3.88Å; E869-R873 IonicContact OE2-NE 3.27Å; E869-R873 IonicContact OE2-NH2 2.78Å; E869-R873 PolarHBondContact OE2-NH2 2.97Å |
| 870 | E | 77.3 | Confident | 74.6 | Confident | 59 Ų | 59 | 93.6 Ų | 93.6 | 28% | 0.276 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.7 | -39 | 176.2 | 178.9 | 61 | -170.2 | 0 | 0 | 111.2 | E866 S872 R873 R874 | E866-E870 WeakPolarHBondContact O-CB 3.38Å; E866-E870 PolarHBondContact O-N 2.77Å; E870-S872 VanDerWaalsContact C-N 3.28Å; E870-S872 PolarHBondContact O-N 3.47Å; E870-R873 PolarHBondContact O-N 3.09Å; E870-R874 VanDerWaalsContact O-CB 3.26Å; E870-R874 WeakPolarHBondContact O-CB 3.48Å; E870-R874 WeakPolarHBondContact O-CG 3.37Å; E870-R874 PolarHBondContact O-N 2.8Å; E870-R874 IonicContact OE1-CZ 2.7Å; E870-R874 IonicContact OE1-NE 3.58Å; E870-R874 PolarHBondContact OE1-NE 2.65Å; E870-R874 IonicContact OE1-NH2 3.53Å; E870-R874 PolarHBondContact OE1-NH2 2.77Å |
| 871 | V | 76.9 | Confident | 74.7 | Confident | 71 Ų | 71 | 91.6 Ų | 91.6 | 43% | 0.43 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.6 | -30.7 | 168.4 | 164.6 | 0 | 0 | 0 | 0 | 111.4 | L867 Q868 K875 | L867-V871 WeakPolarHBondContact O-CB 3.43Å; L867-V871 WeakPolarHBondContact O-CG2 3.18Å; L867-V871 PolarHBondContact O-N 3.23Å; Q868-V871 CarbonylContact O-C 3.54Å; V871-K875 HydrophobicContact CG1-CD 4.07Å; V871-K875 HydrophobicContact CG1-CG 4.47Å; V871-K875 VanDerWaalsContact O-CB 3.26Å; V871-K875 WeakPolarHBondContact O-CB 3.41Å; V871-K875 WeakPolarHBondContact O-CG 3.35Å; V871-K875 PolarHBondContact O-N 3.17Å |
| 872 | S | 74.2 | Confident | 74.9 | Confident | 67 Ų | 67 | 91.1 Ų | 91.1 | 47% | 0.469 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -79.5 | -33.6 | 176.6 | -61.4 | 0 | 0 | 0 | 0 | 112.6 | Q868 E869 E870 K875 S876 | Q868-S872 WeakPolarHBondContact O-CB 3.4Å; Q868-S872 PolarHBondContact O-N 3.16Å; Q868-S872 PolarHBondContact O-OG 3.45Å; E869-S872 CarbonylContact O-C 3.58Å; E869-S872 WeakPolarHBondContact O-CA 3.32Å; E869-S872 WeakPolarHBondContact O-CB 3.43Å; E869-S872 PolarHBondContact O-N 3.46Å; E870-S872 VanDerWaalsContact C-N 3.28Å; E870-S872 PolarHBondContact O-N 3.47Å; S872-K875 PolarHBondContact O-N 3.46Å; S872-S876 WeakPolarHBondContact O-CB 3.25Å; S872-S876 PolarHBondContact O-N 3.11Å |
| 873 | R | 77.3 | Confident | 75.2 | Confident | 138 Ų | 138 | 94.8 Ų | 94.8 | 52% | 0.521 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.8 | -42 | 169.8 | -68.3 | 164.6 | -163 | 177 | 1.3 | 109.6 | E869 E870 S876 H877 | E869-R873 WeakPolarHBondContact O-CB 3.35Å; E869-R873 WeakPolarHBondContact O-CG 3.02Å; E869-R873 PolarHBondContact O-N 3.4Å; E869-R873 IonicContact OE2-CZ 3.88Å; E869-R873 IonicContact OE2-NE 3.27Å; E869-R873 IonicContact OE2-NH2 2.78Å; E869-R873 PolarHBondContact OE2-NH2 2.97Å; E870-R873 PolarHBondContact O-N 3.09Å; R873-S876 CarbonylContact O-C 3.53Å; R873-S876 PolarHBondContact O-N 3.44Å; R873-H877 VanDerWaalsContact O-CB 3.27Å; R873-H877 WeakPolarHBondContact O-CB 3.33Å; R873-H877 PolarHBondContact O-N 3.37Å |
| 874 | R | 75.5 | Confident | 75.2 | Confident | 151 Ų | 151 | 93.2 Ų | 93.2 | 57% | 0.57 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -67.7 | -38.6 | 171.5 | -72.4 | 175.4 | -167.5 | -140.2 | -0.8 | 112.6 | E870 H877 I878 | E870-R874 VanDerWaalsContact O-CB 3.26Å; E870-R874 WeakPolarHBondContact O-CB 3.48Å; E870-R874 WeakPolarHBondContact O-CG 3.37Å; E870-R874 PolarHBondContact O-N 2.8Å; E870-R874 IonicContact OE1-CZ 2.7Å; E870-R874 IonicContact OE1-NE 3.58Å; E870-R874 PolarHBondContact OE1-NE 2.65Å; E870-R874 IonicContact OE1-NH2 3.53Å; E870-R874 PolarHBondContact OE1-NH2 2.77Å; R874-H877 PolarHBondContact O-N 3.41Å; R874-I878 WeakPolarHBondContact O-CB 3Å; R874-I878 WeakPolarHBondContact O-CD1 3.45Å; R874-I878 WeakPolarHBondContact O-CG1 3.16Å; R874-I878 PolarHBondContact O-N 2.72Å |
| 875 | K | 74.4 | Confident | 75.3 | Confident | 135 Ų | 135 | 93.4 Ų | 93.4 | 59% | 0.587 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.9 | -36.8 | 170.6 | -79 | 169.5 | 179.9 | 178.5 | 0 | 112 | V871 S872 A879 | V871-K875 HydrophobicContact CG1-CD 4.07Å; V871-K875 HydrophobicContact CG1-CG 4.47Å; V871-K875 VanDerWaalsContact O-CB 3.26Å; V871-K875 WeakPolarHBondContact O-CB 3.41Å; V871-K875 WeakPolarHBondContact O-CG 3.35Å; V871-K875 PolarHBondContact O-N 3.17Å; S872-K875 PolarHBondContact O-N 3.46Å; K875-A879 VanDerWaalsContact O-CB 3.25Å; K875-A879 WeakPolarHBondContact O-CB 3.37Å; K875-A879 PolarHBondContact O-N 3.38Å |
| 876 | S | 70.7 | Confident | 75.4 | Confident | 59 Ų | 59 | 96.1 Ų | 96.1 | 41% | 0.413 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.2 | -37.3 | 173.9 | -174.9 | 0 | 0 | 0 | 0 | 111.3 | S872 R873 A879 Q880 | S872-S876 WeakPolarHBondContact O-CB 3.25Å; S872-S876 PolarHBondContact O-N 3.11Å; R873-S876 CarbonylContact O-C 3.53Å; R873-S876 PolarHBondContact O-N 3.44Å; S876-A879 CarbonylContact O-C 3.51Å; S876-A879 PolarHBondContact O-N 2.93Å; S876-Q880 WeakPolarHBondContact O-CB 3.08Å; S876-Q880 WeakPolarHBondContact O-CG 3.33Å; S876-Q880 PolarHBondContact O-N 3.2Å |
| 877 | H | 79.2 | Confident | 75.4 | Confident | 102 Ų | 102 | 95.2 Ų | 95.2 | 47% | 0.472 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -71.5 | -38.9 | 174.4 | -171.3 | 54 | 0 | 0 | 0 | 112.1 | R873 R874 Q880 L881 | R873-H877 VanDerWaalsContact O-CB 3.27Å; R873-H877 WeakPolarHBondContact O-CB 3.33Å; R873-H877 PolarHBondContact O-N 3.37Å; R874-H877 PolarHBondContact O-N 3.41Å; H877-Q880 CarbonylContact O-C 3.54Å; H877-Q880 WeakPolarHBondContact O-CB 3.03Å; H877-Q880 PolarHBondContact O-N 3.27Å; H877-L881 WeakPolarHBondContact O-CB 3.27Å; H877-L881 VanDerWaalsContact O-CG 3.26Å; H877-L881 WeakPolarHBondContact O-CG 3.45Å; H877-L881 PolarHBondContact O-N 3.23Å |
| 878 | I | 78.4 | Confident | 75.5 | Confident | 94 Ų | 94 | 95.7 Ų | 95.7 | 48% | 0.482 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 168.8 | -71.3 | 162.4 | 0 | 0 | 0 | 109.6 | R874 Q880 L881 D882 | R874-I878 WeakPolarHBondContact O-CB 3Å; R874-I878 WeakPolarHBondContact O-CD1 3.45Å; R874-I878 WeakPolarHBondContact O-CG1 3.16Å; R874-I878 PolarHBondContact O-N 2.72Å; I878-Q880 VanDerWaalsContact C-N 3.3Å; I878-Q880 PolarHBondContact O-N 3.13Å; I878-L881 CarbonylContact O-C 3.59Å; I878-L881 WeakPolarHBondContact O-CA 3.23Å; I878-L881 WeakPolarHBondContact O-CB 3.07Å; I878-L881 PolarHBondContact O-N 2.84Å; I878-L881 VanDerWaalsContact O-N 3.09Å; I878-D882 WeakPolarHBondContact O-CB 3.11Å; I878-D882 PolarHBondContact O-N 3.49Å |
| 879 | A | 74 | Confident | 75.7 | Confident | 54 Ų | 54 | 94.5 Ų | 94.5 | 45% | 0.446 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.9 | -33.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K875 S876 H883 | K875-A879 VanDerWaalsContact O-CB 3.25Å; K875-A879 WeakPolarHBondContact O-CB 3.37Å; K875-A879 PolarHBondContact O-N 3.38Å; S876-A879 CarbonylContact O-C 3.51Å; S876-A879 PolarHBondContact O-N 2.93Å; A879-H883 VanDerWaalsContact O-CB 3.26Å; A879-H883 WeakPolarHBondContact O-CB 2.91Å; A879-H883 PolarHBondContact O-N 2.83Å |
| 880 | Q | 72.8 | Confident | 75.8 | Confident | 105 Ų | 105 | 94.9 Ų | 94.9 | 49% | 0.491 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.8 | -38.6 | 170.9 | -75.2 | 165.1 | 1.8 | 0 | 0 | 111.7 | S876 H877 I878 H883 Q884 | S876-Q880 WeakPolarHBondContact O-CB 3.08Å; S876-Q880 WeakPolarHBondContact O-CG 3.33Å; S876-Q880 PolarHBondContact O-N 3.2Å; H877-Q880 CarbonylContact O-C 3.54Å; H877-Q880 WeakPolarHBondContact O-CB 3.03Å; H877-Q880 PolarHBondContact O-N 3.27Å; I878-Q880 VanDerWaalsContact C-N 3.3Å; I878-Q880 PolarHBondContact O-N 3.13Å; Q880-H883 CarbonylContact O-C 3.6Å; Q880-H883 PolarHBondContact O-N 3.42Å; Q880-Q884 WeakPolarHBondContact O-CB 2.92Å; Q880-Q884 VanDerWaalsContact O-CG 3.28Å; Q880-Q884 WeakPolarHBondContact O-CG 3.42Å; Q880-Q884 PolarHBondContact O-N 2.65Å |
| 881 | L | 75.6 | Confident | 75.7 | Confident | 68 Ų | 68 | 96.3 Ų | 96.3 | 36% | 0.356 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.5 | -38.6 | 173.8 | -71.9 | 165.9 | 0 | 0 | 0 | 111.1 | H877 I878 H883 Q884 I885 | H877-L881 WeakPolarHBondContact O-CB 3.27Å; H877-L881 VanDerWaalsContact O-CG 3.26Å; H877-L881 WeakPolarHBondContact O-CG 3.45Å; H877-L881 PolarHBondContact O-N 3.23Å; I878-L881 CarbonylContact O-C 3.59Å; I878-L881 WeakPolarHBondContact O-CA 3.23Å; I878-L881 WeakPolarHBondContact O-CB 3.07Å; I878-L881 PolarHBondContact O-N 2.84Å; I878-L881 VanDerWaalsContact O-N 3.09Å; L881-H883 VanDerWaalsContact C-N 3.31Å; L881-H883 PolarHBondContact O-N 2.82Å; L881-Q884 CarbonylContact O-C 3.59Å; L881-Q884 PolarHBondContact O-N 2.66Å; L881-I885 WeakPolarHBondContact O-CB 3.17Å; L881-I885 WeakPolarHBondContact O-CD1 3.18Å; L881-I885 WeakPolarHBondContact O-CG1 3.45Å; L881-I885 PolarHBondContact O-N 3.33Å |
| 882 | D | 75 | Confident | 75.6 | Confident | 85 Ų | 85 | 97.4 Ų | 97.4 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.8 | -32.8 | 172.3 | -72.3 | -36.2 | 0 | 0 | 0 | 111.5 | I878 H886 | I878-D882 WeakPolarHBondContact O-CB 3.11Å; I878-D882 PolarHBondContact O-N 3.49Å; D882-H886 WeakPolarHBondContact O-CB 3.03Å; D882-H886 PolarHBondContact O-N 3.22Å; D882-H886 PolarHBondContact O-ND1 3.35Å |
| 883 | H | 76.2 | Confident | 75.6 | Confident | 132 Ų | 132 | 96.5 Ų | 96.5 | 61% | 0.611 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -75.7 | -33.1 | 173 | -151.3 | 61.9 | 0 | 0 | 0 | 112 | A879 Q880 L881 H886 T887 | A879-H883 VanDerWaalsContact O-CB 3.26Å; A879-H883 WeakPolarHBondContact O-CB 2.91Å; A879-H883 PolarHBondContact O-N 2.83Å; Q880-H883 CarbonylContact O-C 3.6Å; Q880-H883 PolarHBondContact O-N 3.42Å; L881-H883 VanDerWaalsContact C-N 3.31Å; L881-H883 PolarHBondContact O-N 2.82Å; H883-H886 PolarHBondContact O-N 2.82Å; H883-T887 WeakPolarHBondContact O-CG2 3.27Å; H883-T887 PolarHBondContact O-N 3.47Å; H883-T887 PolarHBondContact O-OG1 3.4Å; H883-T887 VanDerWaalsContact O-OG1 3.13Å |
| 884 | Q | 78.1 | Confident | 75.5 | Confident | 105 Ų | 105 | 93 Ų | 93 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.3 | -38 | 168.5 | -75.1 | 173 | 9.1 | 0 | 0 | 111.4 | Q880 L881 H886 T887 L888 | Q880-Q884 WeakPolarHBondContact O-CB 2.92Å; Q880-Q884 VanDerWaalsContact O-CG 3.28Å; Q880-Q884 WeakPolarHBondContact O-CG 3.42Å; Q880-Q884 PolarHBondContact O-N 2.65Å; L881-Q884 CarbonylContact O-C 3.59Å; L881-Q884 PolarHBondContact O-N 2.66Å; Q884-H886 VanDerWaalsContact C-N 3.34Å; Q884-T887 WeakPolarHBondContact CA-OG1 3.17Å; Q884-T887 PolarHBondContact O-N 2.98Å; Q884-T887 PolarHBondContact O-OG1 2.7Å; Q884-L888 WeakPolarHBondContact O-CB 3.26Å; Q884-L888 WeakPolarHBondContact O-CD1 2.95Å; Q884-L888 WeakPolarHBondContact O-CG 3.38Å; Q884-L888 PolarHBondContact O-N 2.68Å |
| 885 | I | 76.8 | Confident | 75.3 | Confident | 85 Ų | 85 | 90.5 Ų | 90.5 | 44% | 0.436 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.5 | -36.9 | 172.2 | -72 | 161.6 | 0 | 0 | 0 | 109.9 | L881 N889 | L881-I885 WeakPolarHBondContact O-CB 3.17Å; L881-I885 WeakPolarHBondContact O-CD1 3.18Å; L881-I885 WeakPolarHBondContact O-CG1 3.45Å; L881-I885 PolarHBondContact O-N 3.33Å; I885-N889 WeakPolarHBondContact CG2-ND2 3.39Å; I885-N889 WeakPolarHBondContact O-CB 3.16Å; I885-N889 PolarHBondContact O-N 2.71Å; I885-N889 PolarHBondContact O-ND2 3.45Å |
| 886 | H | 76.8 | Confident | 75.2 | Confident | 119 Ų | 119 | 87.4 Ų | 87.4 | 55% | 0.551 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.9 | -51.2 | 170.6 | -98.7 | 74.4 | 0 | 0 | 0 | 112 | D882 H883 Q884 L888 N889 E890 | D882-H886 WeakPolarHBondContact O-CB 3.03Å; D882-H886 PolarHBondContact O-N 3.22Å; D882-H886 PolarHBondContact O-ND1 3.35Å; H883-H886 PolarHBondContact O-N 2.82Å; Q884-H886 VanDerWaalsContact C-N 3.34Å; H886-L888 VanDerWaalsContact C-N 3.29Å; H886-L888 PolarHBondContact O-N 2.78Å; H886-N889 CarbonylContact O-C 3.58Å; H886-N889 PolarHBondContact O-N 3.17Å; H886-N889 VanDerWaalsContact O-N 3.1Å; H886-E890 WeakPolarHBondContact O-CB 3.36Å; H886-E890 WeakPolarHBondContact O-CG 3.31Å; H886-E890 PolarHBondContact O-N 2.92Å |
| 887 | T | 76.3 | Confident | 75.4 | Confident | 56 Ų | 56 | 90 Ų | 90 | 34% | 0.344 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68 | -29.2 | 179.1 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | H883 Q884 N891 | H883-T887 WeakPolarHBondContact O-CG2 3.27Å; H883-T887 PolarHBondContact O-N 3.47Å; H883-T887 PolarHBondContact O-OG1 3.4Å; H883-T887 VanDerWaalsContact O-OG1 3.13Å; Q884-T887 WeakPolarHBondContact CA-OG1 3.17Å; Q884-T887 PolarHBondContact O-N 2.98Å; Q884-T887 PolarHBondContact O-OG1 2.7Å; T887-N891 VanDerWaalsContact O-CB 3.25Å; T887-N891 WeakPolarHBondContact O-CB 3.49Å; T887-N891 PolarHBondContact O-N 2.74Å; T887-N891 PolarHBondContact O-ND2 3.4Å; T887-N891 VanDerWaalsContact O-ND2 3.09Å |
| 888 | L | 75 | Confident | 75.3 | Confident | 100 Ų | 100 | 90.5 Ų | 90.5 | 52% | 0.524 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.6 | -38.1 | 168.8 | -74.2 | 168.4 | 0 | 0 | 0 | 112 | Q884 H886 N891 I892 | Q884-L888 WeakPolarHBondContact O-CB 3.26Å; Q884-L888 WeakPolarHBondContact O-CD1 2.95Å; Q884-L888 WeakPolarHBondContact O-CG 3.38Å; Q884-L888 PolarHBondContact O-N 2.68Å; H886-L888 VanDerWaalsContact C-N 3.29Å; H886-L888 PolarHBondContact O-N 2.78Å; L888-N891 CarbonylContact O-C 3.57Å; L888-N891 PolarHBondContact O-N 3.43Å; L888-I892 WeakPolarHBondContact O-CB 3.34Å; L888-I892 WeakPolarHBondContact O-CD1 3.04Å; L888-I892 WeakPolarHBondContact O-CG1 3.45Å; L888-I892 PolarHBondContact O-N 3.49Å |
| 889 | N | 74.6 | Confident | 75 | Confident | 92 Ų | 92 | 92.2 Ų | 92.2 | 49% | 0.492 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.2 | -31.6 | 173.4 | -76.9 | -33.8 | 0 | 0 | 0 | 112.3 | I885 H886 S893 | I885-N889 WeakPolarHBondContact CG2-ND2 3.39Å; I885-N889 WeakPolarHBondContact O-CB 3.16Å; I885-N889 PolarHBondContact O-N 2.71Å; I885-N889 PolarHBondContact O-ND2 3.45Å; H886-N889 CarbonylContact O-C 3.58Å; H886-N889 PolarHBondContact O-N 3.17Å; H886-N889 VanDerWaalsContact O-N 3.1Å; N889-S893 VanDerWaalsContact O-CB 3.25Å; N889-S893 WeakPolarHBondContact O-CB 3.18Å; N889-S893 PolarHBondContact O-N 2.79Å |
| 890 | E | 75.9 | Confident | 74.9 | Confident | 116 Ų | 116 | 94.5 Ų | 94.5 | 54% | 0.542 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.9 | -42.7 | 169.5 | -73.2 | -178.5 | 150.6 | 0 | 0 | 110.6 | H886 S893 T894 | H886-E890 WeakPolarHBondContact O-CB 3.36Å; H886-E890 WeakPolarHBondContact O-CG 3.31Å; H886-E890 PolarHBondContact O-N 2.92Å; E890-S893 CarbonylContact O-C 3.58Å; E890-S893 WeakPolarHBondContact O-CA 3.19Å; E890-S893 WeakPolarHBondContact O-CB 3.22Å; E890-S893 PolarHBondContact O-N 2.69Å; E890-S893 VanDerWaalsContact O-N 3.08Å; E890-T894 PolarHBondContact O-N 3.11Å; E890-T894 PolarHBondContact O-OG1 3.36Å |
| 891 | N | 75.8 | Confident | 75 | Confident | 88 Ų | 88 | 94.7 Ų | 94.7 | 47% | 0.471 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.5 | -38 | 172.4 | -73 | -27.6 | 0 | 0 | 0 | 112 | T887 L888 S893 T894 L895 | T887-N891 VanDerWaalsContact O-CB 3.25Å; T887-N891 WeakPolarHBondContact O-CB 3.49Å; T887-N891 PolarHBondContact O-N 2.74Å; T887-N891 PolarHBondContact O-ND2 3.4Å; T887-N891 VanDerWaalsContact O-ND2 3.09Å; L888-N891 CarbonylContact O-C 3.57Å; L888-N891 PolarHBondContact O-N 3.43Å; N891-S893 VanDerWaalsContact C-N 3.34Å; N891-T894 WeakPolarHBondContact CA-OG1 3.18Å; N891-T894 PolarHBondContact O-OG1 3.38Å; N891-L895 WeakPolarHBondContact O-CB 3.22Å; N891-L895 WeakPolarHBondContact O-CD1 3.19Å; N891-L895 WeakPolarHBondContact O-CG 3.27Å; N891-L895 PolarHBondContact O-N 3.06Å |
| 892 | I | 75.8 | Confident | 74.9 | Confident | 95 Ų | 95 | 97.3 Ų | 97.3 | 49% | 0.487 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.9 | -36.4 | 171.1 | -71.5 | 161.9 | 0 | 0 | 0 | 109.8 | L888 T896 | L888-I892 WeakPolarHBondContact O-CB 3.34Å; L888-I892 WeakPolarHBondContact O-CD1 3.04Å; L888-I892 WeakPolarHBondContact O-CG1 3.45Å; L888-I892 PolarHBondContact O-N 3.49Å; I892-T896 WeakPolarHBondContact O-CB 2.95Å; I892-T896 PolarHBondContact O-N 3.2Å; I892-T896 PolarHBondContact O-OG1 2.6Å |
| 893 | S | 73.9 | Confident | 74.8 | Confident | 47 Ų | 47 | 94.8 Ų | 94.8 | 33% | 0.329 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.4 | -39.2 | 176.5 | -167.1 | 0 | 0 | 0 | 0 | 112.5 | N889 E890 N891 K897 | N889-S893 VanDerWaalsContact O-CB 3.25Å; N889-S893 WeakPolarHBondContact O-CB 3.18Å; N889-S893 PolarHBondContact O-N 2.79Å; E890-S893 CarbonylContact O-C 3.58Å; E890-S893 WeakPolarHBondContact O-CA 3.19Å; E890-S893 WeakPolarHBondContact O-CB 3.22Å; E890-S893 PolarHBondContact O-N 2.69Å; E890-S893 VanDerWaalsContact O-N 3.08Å; N891-S893 VanDerWaalsContact C-N 3.34Å; S893-K897 WeakPolarHBondContact O-CB 3.08Å; S893-K897 VanDerWaalsContact O-CD 3.31Å; S893-K897 WeakPolarHBondContact O-CD 3.1Å; S893-K897 WeakPolarHBondContact O-CG 3.19Å; S893-K897 PolarHBondContact O-N 2.67Å; S893-K897 PolarHBondContact OG-NZ 3.22Å |
| 894 | T | 73.9 | Confident | 74.7 | Confident | 64 Ų | 64 | 93.9 Ų | 93.9 | 39% | 0.393 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71.1 | -46.5 | 173.9 | 52.2 | 0 | 0 | 0 | 0 | 110.5 | E890 N891 T896 K897 E898 | E890-T894 PolarHBondContact O-N 3.11Å; E890-T894 PolarHBondContact O-OG1 3.36Å; N891-T894 WeakPolarHBondContact CA-OG1 3.18Å; N891-T894 PolarHBondContact O-OG1 3.38Å; T894-T896 VanDerWaalsContact C-N 3.26Å; T894-T896 PolarHBondContact O-N 2.75Å; T894-K897 CarbonylContact O-C 3.51Å; T894-K897 WeakPolarHBondContact O-CA 3.19Å; T894-K897 WeakPolarHBondContact O-CB 3.39Å; T894-K897 PolarHBondContact O-N 2.71Å; T894-K897 VanDerWaalsContact O-N 3.09Å; T894-E898 WeakPolarHBondContact O-CB 3.38Å; T894-E898 WeakPolarHBondContact O-CG 3Å; T894-E898 PolarHBondContact O-N 3.36Å |
| 895 | L | 71.8 | Confident | 74.6 | Confident | 100 Ų | 100 | 93 Ų | 93 | 52% | 0.524 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.4 | -35.2 | 172.6 | -74.3 | 168.1 | 0 | 0 | 0 | 112.3 | N891 E898 L899 | N891-L895 WeakPolarHBondContact O-CB 3.22Å; N891-L895 WeakPolarHBondContact O-CD1 3.19Å; N891-L895 WeakPolarHBondContact O-CG 3.27Å; N891-L895 PolarHBondContact O-N 3.06Å; L895-E898 PolarHBondContact O-N 3.3Å; L895-L899 WeakPolarHBondContact O-CB 2.9Å; L895-L899 PolarHBondContact O-N 3.09Å |
| 896 | T | 72.3 | Confident | 74.4 | Confident | 70 Ų | 70 | 93.3 Ų | 93.3 | 43% | 0.429 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.2 | -40.4 | 174.2 | -60.3 | 0 | 0 | 0 | 0 | 111.3 | I892 T894 E898 L899 E900 | I892-T896 WeakPolarHBondContact O-CB 2.95Å; I892-T896 PolarHBondContact O-N 3.2Å; I892-T896 PolarHBondContact O-OG1 2.6Å; T894-T896 VanDerWaalsContact C-N 3.26Å; T894-T896 PolarHBondContact O-N 2.75Å; T896-E898 VanDerWaalsContact C-N 3.32Å; T896-L899 PolarHBondContact O-N 2.99Å; T896-E900 WeakPolarHBondContact O-CB 3.27Å; T896-E900 PolarHBondContact O-N 3.02Å |
| 897 | K | 75.9 | Confident | 74.3 | Confident | 114 Ų | 114 | 92.8 Ų | 92.8 | 50% | 0.496 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.8 | -34.5 | 172.4 | -73.5 | 159.2 | -175.4 | 143.7 | 0 | 111.8 | S893 T894 E900 L901 | S893-K897 WeakPolarHBondContact O-CB 3.08Å; S893-K897 VanDerWaalsContact O-CD 3.31Å; S893-K897 WeakPolarHBondContact O-CD 3.1Å; S893-K897 WeakPolarHBondContact O-CG 3.19Å; S893-K897 PolarHBondContact O-N 2.67Å; S893-K897 PolarHBondContact OG-NZ 3.22Å; T894-K897 CarbonylContact O-C 3.51Å; T894-K897 WeakPolarHBondContact O-CA 3.19Å; T894-K897 WeakPolarHBondContact O-CB 3.39Å; T894-K897 PolarHBondContact O-N 2.71Å; T894-K897 VanDerWaalsContact O-N 3.09Å; K897-E900 PolarHBondContact O-N 3.04Å; K897-L901 VanDerWaalsContact O-CB 3.32Å; K897-L901 WeakPolarHBondContact O-CB 3.45Å; K897-L901 WeakPolarHBondContact O-CG 3.09Å; K897-L901 PolarHBondContact O-N 3.25Å |
| 898 | E | 75.8 | Confident | 74.3 | Confident | 111 Ų | 111 | 95.4 Ų | 95.4 | 52% | 0.519 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.7 | -38 | 172.5 | -74.2 | 179.2 | -173.7 | 0 | 0 | 111.5 | T894 L895 T896 L901 K902 | T894-E898 WeakPolarHBondContact O-CB 3.38Å; T894-E898 WeakPolarHBondContact O-CG 3Å; T894-E898 PolarHBondContact O-N 3.36Å; L895-E898 PolarHBondContact O-N 3.3Å; T896-E898 VanDerWaalsContact C-N 3.32Å; E898-L901 PolarHBondContact O-N 2.98Å; E898-K902 VanDerWaalsContact O-CB 3.24Å; E898-K902 WeakPolarHBondContact O-CB 2.96Å; E898-K902 WeakPolarHBondContact O-CG 3.01Å; E898-K902 PolarHBondContact O-N 2.82Å |
| 899 | L | 71.9 | Confident | 74.3 | Confident | 131 Ų | 131 | 95.3 Ų | 95.3 | 69% | 0.686 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.5 | -37.8 | 170.7 | -111.9 | 159.3 | 0 | 0 | 0 | 111.9 | L895 T896 G903 | L895-L899 WeakPolarHBondContact O-CB 2.9Å; L895-L899 PolarHBondContact O-N 3.09Å; T896-L899 PolarHBondContact O-N 2.99Å; L899-G903 WeakPolarHBondContact O-CA 2.95Å; L899-G903 PolarHBondContact O-N 2.85Å |
| 900 | E | 73 | Confident | 74.2 | Confident | 101 Ų | 101 | 99 Ų | 99 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 170.3 | -87.4 | -166.5 | -140.7 | 0 | 0 | 112.2 | T896 K897 G903 K904 | T896-E900 WeakPolarHBondContact O-CB 3.27Å; T896-E900 PolarHBondContact O-N 3.02Å; K897-E900 PolarHBondContact O-N 3.04Å; E900-G903 PolarHBondContact O-N 3.43Å; E900-K904 WeakPolarHBondContact O-CB 3.16Å; E900-K904 VanDerWaalsContact O-CD 3.27Å; E900-K904 WeakPolarHBondContact O-CD 3Å; E900-K904 WeakPolarHBondContact O-CG 3.31Å; E900-K904 PolarHBondContact O-N 3.13Å; E900-K904 IonicContact OE2-NZ 3.79Å; E900-K904 PolarHBondContact OE2-NZ 3.37Å |
| 901 | L | 74.6 | Confident | 74.2 | Confident | 109 Ų | 109 | 96.2 Ų | 96.2 | 57% | 0.571 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.8 | -42.2 | 177.7 | -77.1 | 166.8 | 0 | 0 | 0 | 110.8 | K897 E898 G903 K904 E905 | K897-L901 VanDerWaalsContact O-CB 3.32Å; K897-L901 WeakPolarHBondContact O-CB 3.45Å; K897-L901 WeakPolarHBondContact O-CG 3.09Å; K897-L901 PolarHBondContact O-N 3.25Å; E898-L901 PolarHBondContact O-N 2.98Å; L901-G903 VanDerWaalsContact C-N 3.34Å; L901-K904 CarbonylContact O-C 3.44Å; L901-K904 PolarHBondContact O-N 2.68Å; L901-E905 VanDerWaalsContact O-CB 3.23Å; L901-E905 WeakPolarHBondContact O-CB 3.5Å; L901-E905 PolarHBondContact O-N 3.43Å |
| 902 | K | 74.6 | Confident | 74.3 | Confident | 123 Ų | 123 | 95.6 Ų | 95.6 | 54% | 0.535 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.7 | -34 | 171.8 | -70.5 | -72.8 | 164.3 | -163.5 | 0 | 111.7 | E898 E905 V906 | E898-K902 VanDerWaalsContact O-CB 3.24Å; E898-K902 WeakPolarHBondContact O-CB 2.96Å; E898-K902 WeakPolarHBondContact O-CG 3.01Å; E898-K902 PolarHBondContact O-N 2.82Å; K902-E905 WeakPolarHBondContact CD-OE2 3.29Å; K902-E905 WeakPolarHBondContact CE-OE2 3.49Å; K902-E905 IonicContact NZ-OE2 2.92Å; K902-E905 PolarHBondContact NZ-OE2 2.7Å; K902-E905 PolarHBondContact O-N 3.48Å; K902-V906 WeakPolarHBondContact O-CB 3.39Å; K902-V906 VanDerWaalsContact O-CG2 3.26Å; K902-V906 WeakPolarHBondContact O-CG2 3.46Å; K902-V906 PolarHBondContact O-N 3.48Å |
| 903 | G | 72.9 | Confident | 74.2 | Confident | 33 Ų | 33 | 92.8 Ų | 92.8 | 34% | 0.34 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L899 E900 L901 E905 V906 L907 | L899-G903 WeakPolarHBondContact O-CA 2.95Å; L899-G903 PolarHBondContact O-N 2.85Å; E900-G903 PolarHBondContact O-N 3.43Å; L901-G903 VanDerWaalsContact C-N 3.34Å; G903-E905 VanDerWaalsContact C-N 3.33Å; G903-V906 PolarHBondContact O-N 3.23Å; G903-L907 WeakPolarHBondContact O-CB 3.39Å; G903-L907 VanDerWaalsContact O-CG 3.27Å; G903-L907 WeakPolarHBondContact O-CG 3.16Å; G903-L907 PolarHBondContact O-N 2.9Å |
| 904 | K | 73.9 | Confident | 74.3 | Confident | 112 Ų | 112 | 94 Ų | 94 | 49% | 0.487 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.8 | -34.8 | 173.1 | -69.4 | 156.7 | -163.8 | 164.9 | 0 | 111.5 | E900 L901 L907 K908 | E900-K904 WeakPolarHBondContact O-CB 3.16Å; E900-K904 VanDerWaalsContact O-CD 3.27Å; E900-K904 WeakPolarHBondContact O-CD 3Å; E900-K904 WeakPolarHBondContact O-CG 3.31Å; E900-K904 PolarHBondContact O-N 3.13Å; E900-K904 IonicContact OE2-NZ 3.79Å; E900-K904 PolarHBondContact OE2-NZ 3.37Å; L901-K904 CarbonylContact O-C 3.44Å; L901-K904 PolarHBondContact O-N 2.68Å; K904-L907 PolarHBondContact O-N 3.43Å; K904-K908 VanDerWaalsContact O-CB 3.26Å; K904-K908 WeakPolarHBondContact O-CB 3.44Å; K904-K908 PolarHBondContact O-N 3.44Å |
| 905 | E | 74.4 | Confident | 74.5 | Confident | 86 Ų | 86 | 97.2 Ų | 97.2 | 40% | 0.402 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -73.7 | -38.4 | 176.3 | -167.1 | 171.2 | -118.9 | 0 | 0 | 111.9 | L901 K902 G903 K908 I909 | L901-E905 VanDerWaalsContact O-CB 3.23Å; L901-E905 WeakPolarHBondContact O-CB 3.5Å; L901-E905 PolarHBondContact O-N 3.43Å; K902-E905 WeakPolarHBondContact CD-OE2 3.29Å; K902-E905 WeakPolarHBondContact CE-OE2 3.49Å; K902-E905 IonicContact NZ-OE2 2.92Å; K902-E905 PolarHBondContact NZ-OE2 2.7Å; K902-E905 PolarHBondContact O-N 3.48Å; G903-E905 VanDerWaalsContact C-N 3.33Å; E905-K908 CarbonylContact O-C 3.32Å; E905-K908 WeakPolarHBondContact O-CB 3.38Å; E905-K908 PolarHBondContact O-N 3.35Å; E905-I909 HydrophobicContact CG-CD1 4.18Å; E905-I909 WeakPolarHBondContact O-CB 3.15Å; E905-I909 VanDerWaalsContact O-CG1 3.25Å; E905-I909 WeakPolarHBondContact O-CG1 3.31Å; E905-I909 PolarHBondContact O-N 2.92Å |
| 906 | V | 74.1 | Confident | 74.6 | Confident | 92 Ų | 92 | 98.5 Ų | 98.5 | 56% | 0.558 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.4 | -39.4 | 170.2 | 165.5 | 0 | 0 | 0 | 0 | 110.8 | K902 G903 K908 R910 | K902-V906 WeakPolarHBondContact O-CB 3.39Å; K902-V906 VanDerWaalsContact O-CG2 3.26Å; K902-V906 WeakPolarHBondContact O-CG2 3.46Å; K902-V906 PolarHBondContact O-N 3.48Å; G903-V906 PolarHBondContact O-N 3.23Å; V906-K908 VanDerWaalsContact C-N 3.34Å; V906-R910 WeakPolarHBondContact O-CB 3.34Å; V906-R910 PolarHBondContact O-N 3.48Å |
| 907 | L | 74.4 | Confident | 74.8 | Confident | 108 Ų | 108 | 99.1 Ų | 99.1 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.6 | -38.1 | 171.3 | -74.5 | 169.2 | 0 | 0 | 0 | 111.8 | G903 K904 R910 S911 | G903-L907 WeakPolarHBondContact O-CB 3.39Å; G903-L907 VanDerWaalsContact O-CG 3.27Å; G903-L907 WeakPolarHBondContact O-CG 3.16Å; G903-L907 PolarHBondContact O-N 2.9Å; K904-L907 PolarHBondContact O-N 3.43Å; L907-R910 PolarHBondContact O-N 2.63Å; L907-S911 WeakPolarHBondContact O-CB 3.29Å; L907-S911 PolarHBondContact O-N 2.72Å |
| 908 | K | 75.7 | Confident | 75 | Confident | 111 Ų | 111 | 100.5 Ų | 100.5 | 48% | 0.483 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.1 | -52.3 | 174.7 | -177.8 | 176.4 | 175.1 | -65 | 0 | 111.1 | K904 E905 V906 R910 S911 E912 | K904-K908 VanDerWaalsContact O-CB 3.26Å; K904-K908 WeakPolarHBondContact O-CB 3.44Å; K904-K908 PolarHBondContact O-N 3.44Å; E905-K908 CarbonylContact O-C 3.32Å; E905-K908 WeakPolarHBondContact O-CB 3.38Å; E905-K908 PolarHBondContact O-N 3.35Å; V906-K908 VanDerWaalsContact C-N 3.34Å; K908-R910 VanDerWaalsContact C-N 3.29Å; K908-R910 PolarHBondContact O-N 2.84Å; K908-S911 CarbonylContact O-C 3.51Å; K908-S911 WeakPolarHBondContact O-CA 3.44Å; K908-S911 WeakPolarHBondContact O-CB 3.19Å; K908-S911 PolarHBondContact O-N 3.25Å; K908-S911 PolarHBondContact O-OG 2.75Å; K908-E912 WeakPolarHBondContact CE-OE1 3.31Å; K908-E912 VanDerWaalsContact NZ-CD 3.33Å; K908-E912 IonicContact NZ-OE1 2.66Å; K908-E912 PolarHBondContact NZ-OE1 3.06Å; K908-E912 IonicContact NZ-OE2 2.66Å; K908-E912 PolarHBondContact NZ-OE2 2.68Å; K908-E912 WeakPolarHBondContact O-CB 3.38Å; K908-E912 WeakPolarHBondContact O-CG 3.49Å; K908-E912 PolarHBondContact O-N 2.66Å |
| 909 | I | 75.8 | Confident | 74.9 | Confident | 99 Ų | 99 | 97.7 Ų | 97.7 | 51% | 0.508 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.5 | -41.9 | 174.6 | -69.9 | 163.7 | 0 | 0 | 0 | 110.5 | E905 S911 E912 A913 | E905-I909 HydrophobicContact CG-CD1 4.18Å; E905-I909 WeakPolarHBondContact O-CB 3.15Å; E905-I909 VanDerWaalsContact O-CG1 3.25Å; E905-I909 WeakPolarHBondContact O-CG1 3.31Å; E905-I909 PolarHBondContact O-N 2.92Å; I909-S911 VanDerWaalsContact C-N 3.35Å; I909-S911 PolarHBondContact O-N 2.79Å; I909-E912 PolarHBondContact O-N 2.74Å; I909-A913 WeakPolarHBondContact O-CB 3.29Å; I909-A913 PolarHBondContact O-N 2.71Å |
| 910 | R | 72.8 | Confident | 75.1 | Confident | 168 Ų | 168 | 97.4 Ų | 97.4 | 63% | 0.634 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.7 | -34.4 | 174.9 | -171.6 | 178.3 | -177.5 | -160.8 | 0.8 | 112.2 | V906 L907 K908 N914 | V906-R910 WeakPolarHBondContact O-CB 3.34Å; V906-R910 PolarHBondContact O-N 3.48Å; L907-R910 PolarHBondContact O-N 2.63Å; K908-R910 VanDerWaalsContact C-N 3.29Å; K908-R910 PolarHBondContact O-N 2.84Å; R910-N914 WeakPolarHBondContact O-CB 3.24Å; R910-N914 PolarHBondContact O-N 2.65Å; R910-N914 PolarHBondContact O-ND2 3.38Å |
| 911 | S | 74.1 | Confident | 75.2 | Confident | 59 Ų | 59 | 97.6 Ų | 97.6 | 41% | 0.413 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.9 | -39 | 174.6 | 77.6 | 0 | 0 | 0 | 0 | 112.2 | L907 K908 I909 N914 Q915 | L907-S911 WeakPolarHBondContact O-CB 3.29Å; L907-S911 PolarHBondContact O-N 2.72Å; K908-S911 CarbonylContact O-C 3.51Å; K908-S911 WeakPolarHBondContact O-CA 3.44Å; K908-S911 WeakPolarHBondContact O-CB 3.19Å; K908-S911 PolarHBondContact O-N 3.25Å; K908-S911 PolarHBondContact O-OG 2.75Å; I909-S911 VanDerWaalsContact C-N 3.35Å; I909-S911 PolarHBondContact O-N 2.79Å; S911-N914 CarbonylContact O-C 3.52Å; S911-N914 PolarHBondContact O-N 3.24Å; S911-Q915 VanDerWaalsContact O-CB 3.26Å; S911-Q915 WeakPolarHBondContact O-CB 3.14Å; S911-Q915 PolarHBondContact O-N 2.66Å |
| 912 | E | 77.8 | Confident | 75.3 | Confident | 74 Ų | 74 | 97.8 Ų | 97.8 | 35% | 0.346 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.5 | -43.6 | 177.3 | -72.7 | 169.4 | 163 | 0 | 0 | 110.3 | K908 I909 Q915 Q916 | K908-E912 WeakPolarHBondContact CE-OE1 3.31Å; K908-E912 VanDerWaalsContact NZ-CD 3.33Å; K908-E912 IonicContact NZ-OE1 2.66Å; K908-E912 PolarHBondContact NZ-OE1 3.06Å; K908-E912 IonicContact NZ-OE2 2.66Å; K908-E912 PolarHBondContact NZ-OE2 2.68Å; K908-E912 WeakPolarHBondContact O-CB 3.38Å; K908-E912 WeakPolarHBondContact O-CG 3.49Å; K908-E912 PolarHBondContact O-N 2.66Å; I909-E912 PolarHBondContact O-N 2.74Å; E912-Q915 CarbonylContact O-C 3.59Å; E912-Q915 WeakPolarHBondContact O-CA 3.24Å; E912-Q915 WeakPolarHBondContact O-CB 3.22Å; E912-Q915 PolarHBondContact O-N 2.68Å; E912-Q915 VanDerWaalsContact O-N 3.08Å; E912-Q916 WeakPolarHBondContact O-CG 3.5Å; E912-Q916 PolarHBondContact O-N 2.8Å |
| 913 | A | 73.9 | Confident | 75.5 | Confident | 36 Ų | 36 | 95.9 Ų | 95.9 | 30% | 0.298 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I909 Q915 Q916 I917 | I909-A913 WeakPolarHBondContact O-CB 3.29Å; I909-A913 PolarHBondContact O-N 2.71Å; A913-Q915 PolarHBondContact O-N 2.7Å; A913-Q916 PolarHBondContact O-N 2.81Å; A913-I917 WeakPolarHBondContact O-CB 3.36Å; A913-I917 VanDerWaalsContact O-CG1 3.25Å; A913-I917 WeakPolarHBondContact O-CG1 3.06Å; A913-I917 PolarHBondContact O-N 3.41Å |
| 914 | N | 75.8 | Confident | 75.7 | Confident | 72 Ų | 72 | 98.8 Ų | 98.8 | 39% | 0.385 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.8 | -15.3 | 173.1 | -76.1 | -17.9 | 0 | 0 | 0 | 113.5 | R910 S911 R918 | R910-N914 WeakPolarHBondContact O-CB 3.24Å; R910-N914 PolarHBondContact O-N 2.65Å; R910-N914 PolarHBondContact O-ND2 3.38Å; S911-N914 CarbonylContact O-C 3.52Å; S911-N914 PolarHBondContact O-N 3.24Å; N914-R918 WeakPolarHBondContact O-CB 2.87Å; N914-R918 WeakPolarHBondContact O-CG 3.32Å; N914-R918 PolarHBondContact O-N 2.79Å; N914-R918 PolarHBondContact O-NE 3.06Å |
| 915 | Q | 78.2 | Confident | 75.8 | Confident | 133 Ų | 133 | 97 Ų | 97 | 62% | 0.621 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -91.1 | -34.2 | 173.7 | -170.1 | 167.9 | 4.2 | 0 | 0 | 111.3 | S911 E912 A913 A919 | S911-Q915 VanDerWaalsContact O-CB 3.26Å; S911-Q915 WeakPolarHBondContact O-CB 3.14Å; S911-Q915 PolarHBondContact O-N 2.66Å; E912-Q915 CarbonylContact O-C 3.59Å; E912-Q915 WeakPolarHBondContact O-CA 3.24Å; E912-Q915 WeakPolarHBondContact O-CB 3.22Å; E912-Q915 PolarHBondContact O-N 2.68Å; E912-Q915 VanDerWaalsContact O-N 3.08Å; A913-Q915 PolarHBondContact O-N 2.7Å; Q915-A919 VanDerWaalsContact O-CB 3.24Å; Q915-A919 WeakPolarHBondContact O-CB 3.24Å; Q915-A919 PolarHBondContact O-N 3.12Å |
| 916 | Q | 75.6 | Confident | 76.1 | Confident | 126 Ų | 126 | 97.5 Ų | 97.5 | 59% | 0.589 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.9 | -42.9 | 169.7 | -72.7 | 171.5 | 1.6 | 0 | 0 | 111.7 | E912 A913 A919 H920 | E912-Q916 WeakPolarHBondContact O-CG 3.5Å; E912-Q916 PolarHBondContact O-N 2.8Å; A913-Q916 PolarHBondContact O-N 2.81Å; Q916-A919 PolarHBondContact O-N 2.82Å; Q916-H920 WeakPolarHBondContact O-CB 3.23Å; Q916-H920 PolarHBondContact O-CD2 3.12Å; Q916-H920 PolarHBondContact O-N 2.99Å |
| 917 | I | 76.2 | Confident | 76.3 | Confident | 84 Ų | 84 | 99 Ų | 99 | 43% | 0.431 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.7 | -53.1 | 171.9 | -70.6 | 164.4 | 0 | 0 | 0 | 109.3 | A913 A919 H920 E921 | A913-I917 WeakPolarHBondContact O-CB 3.36Å; A913-I917 VanDerWaalsContact O-CG1 3.25Å; A913-I917 WeakPolarHBondContact O-CG1 3.06Å; A913-I917 PolarHBondContact O-N 3.41Å; I917-A919 VanDerWaalsContact C-N 3.28Å; I917-A919 PolarHBondContact O-N 3.01Å; I917-H920 CarbonylContact O-C 3.55Å; I917-H920 PolarHBondContact O-N 3.25Å; I917-H920 VanDerWaalsContact O-N 3.15Å; I917-E921 HydrophobicContact CG2-CG 4.27Å; I917-E921 WeakPolarHBondContact O-CB 3.08Å; I917-E921 VanDerWaalsContact O-CG 3.3Å; I917-E921 WeakPolarHBondContact O-CG 3.14Å; I917-E921 PolarHBondContact O-N 3.13Å |
| 918 | R | 78.8 | Confident | 76.4 | Confident | 142 Ų | 142 | 98.3 Ų | 98.3 | 54% | 0.536 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.5 | -28.1 | 177.1 | -77.6 | 180 | -68.4 | 178 | 1.3 | 113.9 | N914 E921 Q922 | N914-R918 WeakPolarHBondContact O-CB 2.87Å; N914-R918 WeakPolarHBondContact O-CG 3.32Å; N914-R918 PolarHBondContact O-N 2.79Å; N914-R918 PolarHBondContact O-NE 3.06Å; R918-E921 WeakPolarHBondContact CA-OE2 3.31Å; R918-E921 WeakPolarHBondContact CG-OE2 2.8Å; R918-Q922 WeakPolarHBondContact O-CB 3.17Å; R918-Q922 VanDerWaalsContact O-CG 3.24Å; R918-Q922 WeakPolarHBondContact O-CG 3.31Å; R918-Q922 PolarHBondContact O-N 3.05Å |
| 919 | A | 75.3 | Confident | 76.5 | Confident | 53 Ų | 53 | 98.4 Ų | 98.4 | 44% | 0.438 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.4 | -44 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q915 Q916 I917 Q922 E923 | Q915-A919 VanDerWaalsContact O-CB 3.24Å; Q915-A919 WeakPolarHBondContact O-CB 3.24Å; Q915-A919 PolarHBondContact O-N 3.12Å; Q916-A919 PolarHBondContact O-N 2.82Å; I917-A919 VanDerWaalsContact C-N 3.28Å; I917-A919 PolarHBondContact O-N 3.01Å; A919-Q922 PolarHBondContact O-N 3.47Å; A919-E923 WeakPolarHBondContact O-CB 3.12Å; A919-E923 PolarHBondContact O-N 3.29Å |
| 920 | H | 74.6 | Confident | 76.7 | Confident | 124 Ų | 124 | 100.2 Ų | 100.2 | 57% | 0.574 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -69 | -36.4 | 174.9 | -74.2 | -46.2 | 0 | 0 | 0 | 112.7 | Q916 I917 E923 L924 | Q916-H920 WeakPolarHBondContact O-CB 3.23Å; Q916-H920 PolarHBondContact O-CD2 3.12Å; Q916-H920 PolarHBondContact O-N 2.99Å; I917-H920 CarbonylContact O-C 3.55Å; I917-H920 PolarHBondContact O-N 3.25Å; I917-H920 VanDerWaalsContact O-N 3.15Å; H920-E923 IonicContact ND1-OE2 3.2Å; H920-E923 PolarHBondContact O-N 2.91Å; H920-L924 WeakPolarHBondContact O-CB 2.98Å; H920-L924 PolarHBondContact O-N 3.4Å |
| 921 | E | 75.6 | Confident | 77.1 | Confident | 105 Ų | 105 | 97.4 Ų | 97.4 | 49% | 0.491 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 170.7 | -72.9 | 170 | 158.9 | 0 | 0 | 110.8 | I917 R918 T925 | I917-E921 HydrophobicContact CG2-CG 4.27Å; I917-E921 WeakPolarHBondContact O-CB 3.08Å; I917-E921 VanDerWaalsContact O-CG 3.3Å; I917-E921 WeakPolarHBondContact O-CG 3.14Å; I917-E921 PolarHBondContact O-N 3.13Å; R918-E921 WeakPolarHBondContact CA-OE2 3.31Å; R918-E921 WeakPolarHBondContact CG-OE2 2.8Å; E921-T925 VanDerWaalsContact O-CB 3.29Å; E921-T925 WeakPolarHBondContact O-CB 3.06Å; E921-T925 PolarHBondContact O-N 3.36Å; E921-T925 PolarHBondContact O-OG1 2.9Å |
| 922 | Q | 77.6 | Confident | 77.3 | Confident | 114 Ų | 114 | 100.2 Ų | 100.2 | 53% | 0.533 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.3 | -35.7 | 175.2 | -76.6 | -178 | 21.4 | 0 | 0 | 112.6 | R918 A919 K926 | R918-Q922 WeakPolarHBondContact O-CB 3.17Å; R918-Q922 VanDerWaalsContact O-CG 3.24Å; R918-Q922 WeakPolarHBondContact O-CG 3.31Å; R918-Q922 PolarHBondContact O-N 3.05Å; A919-Q922 PolarHBondContact O-N 3.47Å; Q922-K926 VanDerWaalsContact O-CB 3.29Å; Q922-K926 WeakPolarHBondContact O-CB 2.83Å; Q922-K926 WeakPolarHBondContact O-CD 3.19Å; Q922-K926 WeakPolarHBondContact O-CG 3.23Å; Q922-K926 PolarHBondContact O-N 2.95Å |
| 923 | E | 78.7 | Confident | 77.6 | Confident | 82 Ų | 82 | 100.9 Ų | 100.9 | 38% | 0.383 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.7 | -40.2 | 177.1 | -168.6 | -177.3 | -179.4 | 0 | 0 | 111.5 | A919 H920 K926 R927 | A919-E923 WeakPolarHBondContact O-CB 3.12Å; A919-E923 PolarHBondContact O-N 3.29Å; H920-E923 IonicContact ND1-OE2 3.2Å; H920-E923 PolarHBondContact O-N 2.91Å; E923-K926 CarbonylContact O-C 3.35Å; E923-K926 PolarHBondContact O-N 3.49Å; E923-R927 WeakPolarHBondContact O-CG 3.31Å; E923-R927 PolarHBondContact O-N 3.21Å; E923-R927 IonicContact OE1-CZ 2.86Å; E923-R927 IonicContact OE1-NE 2.64Å; E923-R927 IonicContact OE1-NH2 3.77Å; E923-R927 PolarHBondContact OE1-NH2 2.75Å |
| 924 | L | 76.8 | Confident | 78.1 | Confident | 94 Ų | 94 | 105.4 Ų | 105.4 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66 | -42.7 | 174.1 | -175.4 | 65.5 | 0 | 0 | 0 | 111 | H920 K926 R927 H928 | H920-L924 WeakPolarHBondContact O-CB 2.98Å; H920-L924 PolarHBondContact O-N 3.4Å; L924-K926 VanDerWaalsContact C-N 3.34Å; L924-K926 PolarHBondContact O-N 2.94Å; L924-R927 PolarHBondContact O-N 3.21Å; L924-R927 VanDerWaalsContact O-N 3.13Å; L924-H928 PolarHBondContact O-N 3.23Å; L924-H928 PolarHBondContact O-ND1 3.15Å |
| 925 | T | 76.1 | Confident | 78.3 | Confident | 75 Ų | 75 | 107.8 Ų | 107.8 | 46% | 0.46 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 172.4 | -55.9 | 0 | 0 | 0 | 0 | 110.6 | E921 R927 H928 E929 | E921-T925 VanDerWaalsContact O-CB 3.29Å; E921-T925 WeakPolarHBondContact O-CB 3.06Å; E921-T925 PolarHBondContact O-N 3.36Å; E921-T925 PolarHBondContact O-OG1 2.9Å; T925-R927 VanDerWaalsContact C-N 3.29Å; T925-R927 PolarHBondContact O-N 3.24Å; T925-H928 PolarHBondContact O-N 2.95Å; T925-E929 WeakPolarHBondContact O-CB 2.99Å; T925-E929 WeakPolarHBondContact O-CG 3.13Å; T925-E929 PolarHBondContact O-N 2.98Å |
| 926 | K | 79.8 | Confident | 78.4 | Confident | 96 Ų | 96 | 103.9 Ų | 103.9 | 42% | 0.417 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.4 | -24.2 | 174.8 | -74.6 | 167.7 | -171.5 | 167.7 | 0 | 113.7 | Q922 E923 L924 R930 | Q922-K926 VanDerWaalsContact O-CB 3.29Å; Q922-K926 WeakPolarHBondContact O-CB 2.83Å; Q922-K926 WeakPolarHBondContact O-CD 3.19Å; Q922-K926 WeakPolarHBondContact O-CG 3.23Å; Q922-K926 PolarHBondContact O-N 2.95Å; E923-K926 CarbonylContact O-C 3.35Å; E923-K926 PolarHBondContact O-N 3.49Å; L924-K926 VanDerWaalsContact C-N 3.34Å; L924-K926 PolarHBondContact O-N 2.94Å; K926-R930 WeakPolarHBondContact O-CB 3.13Å; K926-R930 VanDerWaalsContact O-CD 3.28Å; K926-R930 WeakPolarHBondContact O-CD 3.37Å; K926-R930 WeakPolarHBondContact O-CG 3.24Å; K926-R930 PolarHBondContact O-N 3.39Å; K926-R930 VanDerWaalsContact O-N 3.14Å |
| 927 | R | 78.5 | Confident | 78.7 | Confident | 123 Ų | 123 | 100 Ų | 100 | 46% | 0.464 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73.2 | -49.6 | 169.5 | -76.8 | -177.2 | -165.4 | 177 | 8 | 110.4 | E923 L924 T925 E929 R930 E931 | E923-R927 WeakPolarHBondContact O-CG 3.31Å; E923-R927 PolarHBondContact O-N 3.21Å; E923-R927 IonicContact OE1-CZ 2.86Å; E923-R927 IonicContact OE1-NE 2.64Å; E923-R927 IonicContact OE1-NH2 3.77Å; E923-R927 PolarHBondContact OE1-NH2 2.75Å; L924-R927 PolarHBondContact O-N 3.21Å; L924-R927 VanDerWaalsContact O-N 3.13Å; T925-R927 VanDerWaalsContact C-N 3.29Å; T925-R927 PolarHBondContact O-N 3.24Å; R927-E929 VanDerWaalsContact C-N 3.31Å; R927-E929 PolarHBondContact O-N 3.09Å; R927-R930 CarbonylContact O-C 3.48Å; R927-R930 WeakPolarHBondContact O-CA 3.36Å; R927-R930 WeakPolarHBondContact O-CB 3.07Å; R927-R930 PolarHBondContact O-N 3.46Å; R927-E931 WeakPolarHBondContact O-CB 3.47Å; R927-E931 WeakPolarHBondContact O-CG 3.45Å; R927-E931 PolarHBondContact O-N 3.32Å |
| 928 | H | 76.3 | Confident | 79 | Confident | 94 Ų | 94 | 97.7 Ų | 97.7 | 44% | 0.435 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.5 | -36.7 | 174.5 | -62.2 | 146.4 | 0 | 0 | 0 | 112.7 | L924 T925 E931 L932 | L924-H928 PolarHBondContact O-N 3.23Å; L924-H928 PolarHBondContact O-ND1 3.15Å; T925-H928 PolarHBondContact O-N 2.95Å; H928-E931 IonicContact CD2-OE2 2.65Å; H928-E931 PolarHBondContact O-N 2.8Å; H928-L932 WeakPolarHBondContact O-CB 3.47Å; H928-L932 WeakPolarHBondContact O-CD1 2.91Å; H928-L932 WeakPolarHBondContact O-CG 2.99Å; H928-L932 PolarHBondContact O-N 2.89Å |
| 929 | E | 78.6 | Confident | 79.1 | Confident | 113 Ų | 113 | 96.4 Ų | 96.4 | 53% | 0.528 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 172.1 | -75.7 | -179.7 | 141.6 | 0 | 0 | 112.3 | T925 R927 T933 | T925-E929 WeakPolarHBondContact O-CB 2.99Å; T925-E929 WeakPolarHBondContact O-CG 3.13Å; T925-E929 PolarHBondContact O-N 2.98Å; R927-E929 VanDerWaalsContact C-N 3.31Å; R927-E929 PolarHBondContact O-N 3.09Å; E929-T933 WeakPolarHBondContact O-CB 2.86Å; E929-T933 WeakPolarHBondContact O-CG2 3.39Å; E929-T933 PolarHBondContact O-N 3.03Å; E929-T933 PolarHBondContact O-OG1 3.34Å |
| 930 | R | 80.6 | Confident | 79.4 | Confident | 138 Ų | 138 | 96 Ų | 96 | 52% | 0.521 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.9 | -46.6 | 173.8 | -75.6 | 165.3 | -173.2 | 149.3 | -2.1 | 111.3 | K926 R927 L932 T933 E934 | K926-R930 WeakPolarHBondContact O-CB 3.13Å; K926-R930 VanDerWaalsContact O-CD 3.28Å; K926-R930 WeakPolarHBondContact O-CD 3.37Å; K926-R930 WeakPolarHBondContact O-CG 3.24Å; K926-R930 PolarHBondContact O-N 3.39Å; K926-R930 VanDerWaalsContact O-N 3.14Å; R927-R930 CarbonylContact O-C 3.48Å; R927-R930 WeakPolarHBondContact O-CA 3.36Å; R927-R930 WeakPolarHBondContact O-CB 3.07Å; R927-R930 PolarHBondContact O-N 3.46Å; R930-L932 PolarHBondContact O-N 3.38Å; R930-T933 WeakPolarHBondContact CA-OG1 3.46Å; R930-T933 PolarHBondContact O-N 2.96Å; R930-T933 PolarHBondContact O-OG1 2.84Å; R930-T933 VanDerWaalsContact O-OG1 3.11Å; R930-E934 VanDerWaalsContact O-CB 3.3Å; R930-E934 WeakPolarHBondContact O-CB 3.48Å; R930-E934 WeakPolarHBondContact O-CG 2.99Å; R930-E934 PolarHBondContact O-N 3.1Å |
| 931 | E | 79.9 | Confident | 79.9 | Confident | 108 Ų | 108 | 97.3 Ų | 97.3 | 51% | 0.505 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 177.8 | -70.9 | 159.2 | -156.2 | 0 | 0 | 111.1 | R927 H928 L935 | R927-E931 WeakPolarHBondContact O-CB 3.47Å; R927-E931 WeakPolarHBondContact O-CG 3.45Å; R927-E931 PolarHBondContact O-N 3.32Å; H928-E931 IonicContact CD2-OE2 2.65Å; H928-E931 PolarHBondContact O-N 2.8Å; E931-L935 WeakPolarHBondContact O-CB 3.44Å; E931-L935 PolarHBondContact O-N 2.71Å |
| 932 | L | 79.6 | Confident | 80.2 | Confident | 118 Ų | 118 | 98.3 Ų | 98.3 | 62% | 0.618 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.9 | -38.4 | 173.4 | -74.9 | 168.6 | 0 | 0 | 0 | 112.7 | H928 R930 S936 | H928-L932 WeakPolarHBondContact O-CB 3.47Å; H928-L932 WeakPolarHBondContact O-CD1 2.91Å; H928-L932 WeakPolarHBondContact O-CG 2.99Å; H928-L932 PolarHBondContact O-N 2.89Å; R930-L932 PolarHBondContact O-N 3.38Å; L932-S936 WeakPolarHBondContact O-CB 3.46Å; L932-S936 PolarHBondContact O-N 2.86Å |
| 933 | T | 83.3 | Confident | 80.4 | Confident | 89 Ų | 89 | 94.2 Ų | 94.2 | 55% | 0.546 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -75.7 | -34.3 | 177.2 | 48.1 | 0 | 0 | 0 | 0 | 112.6 | E929 R930 A937 | E929-T933 WeakPolarHBondContact O-CB 2.86Å; E929-T933 WeakPolarHBondContact O-CG2 3.39Å; E929-T933 PolarHBondContact O-N 3.03Å; E929-T933 PolarHBondContact O-OG1 3.34Å; R930-T933 WeakPolarHBondContact CA-OG1 3.46Å; R930-T933 PolarHBondContact O-N 2.96Å; R930-T933 PolarHBondContact O-OG1 2.84Å; R930-T933 VanDerWaalsContact O-OG1 3.11Å; T933-A937 WeakPolarHBondContact O-CB 3.17Å; T933-A937 PolarHBondContact O-N 3.32Å |
| 934 | E | 83.5 | Confident | 80.6 | Confident | 131 Ų | 131 | 95.9 Ų | 95.9 | 61% | 0.612 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68.3 | -42 | 171.4 | -76.3 | -177.8 | -161.1 | 0 | 0 | 111.7 | R930 A937 A938 | R930-E934 VanDerWaalsContact O-CB 3.3Å; R930-E934 WeakPolarHBondContact O-CB 3.48Å; R930-E934 WeakPolarHBondContact O-CG 2.99Å; R930-E934 PolarHBondContact O-N 3.1Å; E934-A937 CarbonylContact O-C 3.44Å; E934-A937 PolarHBondContact O-N 2.69Å; E934-A938 VanDerWaalsContact O-CB 3.25Å; E934-A938 WeakPolarHBondContact O-CB 3.35Å; E934-A938 PolarHBondContact O-N 3.41Å |
| 935 | L | 81.4 | Confident | 80.9 | Confident | 121 Ų | 121 | 96.1 Ų | 96.1 | 63% | 0.634 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.2 | -41.1 | 174.5 | -172.4 | 68.4 | 0 | 0 | 0 | 111.2 | E931 A938 H939 | E931-L935 WeakPolarHBondContact O-CB 3.44Å; E931-L935 PolarHBondContact O-N 2.71Å; L935-A938 PolarHBondContact O-N 3.36Å; L935-H939 WeakPolarHBondContact O-CB 3.45Å; L935-H939 PolarHBondContact O-N 3Å |
| 936 | S | 80.4 | Confident | 81.3 | Confident | 51 Ų | 51 | 95.9 Ų | 95.9 | 36% | 0.357 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 173 | -173 | 0 | 0 | 0 | 0 | 111.7 | L932 S940 | L932-S936 WeakPolarHBondContact O-CB 3.46Å; L932-S936 PolarHBondContact O-N 2.86Å; S936-S940 VanDerWaalsContact O-CB 3.23Å; S936-S940 WeakPolarHBondContact O-CB 3.43Å; S936-S940 PolarHBondContact O-N 3.37Å; S936-S940 PolarHBondContact O-OG 3.19Å |
| 937 | A | 82.1 | Confident | 81.4 | Confident | 44 Ų | 44 | 93.1 Ų | 93.1 | 36% | 0.364 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -72.3 | -30.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T933 E934 R941 | T933-A937 WeakPolarHBondContact O-CB 3.17Å; T933-A937 PolarHBondContact O-N 3.32Å; E934-A937 CarbonylContact O-C 3.44Å; E934-A937 PolarHBondContact O-N 2.69Å; A937-R941 WeakPolarHBondContact O-CB 3.4Å; A937-R941 VanDerWaalsContact O-CG 3.27Å; A937-R941 WeakPolarHBondContact O-CG 2.85Å; A937-R941 PolarHBondContact O-N 2.75Å; A937-R941 PolarHBondContact O-NE 2.98Å |
| 938 | A | 81.8 | Confident | 81.7 | Confident | 37 Ų | 37 | 89.7 Ų | 89.7 | 31% | 0.306 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.6 | -51.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | E934 L935 S940 R941 E942 | E934-A938 VanDerWaalsContact O-CB 3.25Å; E934-A938 WeakPolarHBondContact O-CB 3.35Å; E934-A938 PolarHBondContact O-N 3.41Å; L935-A938 PolarHBondContact O-N 3.36Å; A938-S940 VanDerWaalsContact C-N 3.29Å; A938-S940 PolarHBondContact O-N 3.42Å; A938-R941 PolarHBondContact O-N 2.68Å; A938-R941 VanDerWaalsContact O-N 3.11Å; A938-E942 WeakPolarHBondContact O-CB 3.42Å; A938-E942 PolarHBondContact O-N 3.48Å |
| 939 | H | 80.9 | Confident | 82.1 | Confident | 115 Ų | 115 | 89 Ų | 89 | 53% | 0.532 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 175.6 | -175.1 | 53.4 | 0 | 0 | 0 | 112 | L935 T943 | L935-H939 WeakPolarHBondContact O-CB 3.45Å; L935-H939 PolarHBondContact O-N 3Å; H939-T943 WeakPolarHBondContact O-CB 3.28Å; H939-T943 PolarHBondContact O-N 3.11Å; H939-T943 PolarHBondContact O-OG1 2.77Å |
| 940 | S | 80.5 | Confident | 82.3 | Confident | 43 Ų | 43 | 87.2 Ų | 87.2 | 30% | 0.301 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 174 | -59.9 | 0 | 0 | 0 | 0 | 112.3 | S936 A938 Q944 | S936-S940 VanDerWaalsContact O-CB 3.23Å; S936-S940 WeakPolarHBondContact O-CB 3.43Å; S936-S940 PolarHBondContact O-N 3.37Å; S936-S940 PolarHBondContact O-OG 3.19Å; A938-S940 VanDerWaalsContact C-N 3.29Å; A938-S940 PolarHBondContact O-N 3.42Å; S940-Q944 VanDerWaalsContact O-CB 3.27Å; S940-Q944 WeakPolarHBondContact O-CB 3.43Å; S940-Q944 PolarHBondContact O-N 3.24Å |
| 941 | R | 85.9 | Confident | 82.5 | Confident | 152 Ų | 152 | 84.3 Ų | 84.3 | 57% | 0.574 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -67.6 | -44.2 | 173.6 | -79.4 | 173 | -71.7 | 159.8 | -4.4 | 112.5 | A937 A938 T943 Q944 N945 | A937-R941 WeakPolarHBondContact O-CB 3.4Å; A937-R941 VanDerWaalsContact O-CG 3.27Å; A937-R941 WeakPolarHBondContact O-CG 2.85Å; A937-R941 PolarHBondContact O-N 2.75Å; A937-R941 PolarHBondContact O-NE 2.98Å; A938-R941 PolarHBondContact O-N 2.68Å; A938-R941 VanDerWaalsContact O-N 3.11Å; R941-T943 VanDerWaalsContact C-N 3.32Å; R941-Q944 PolarHBondContact O-N 3.07Å; R941-N945 WeakPolarHBondContact O-CB 3.09Å; R941-N945 PolarHBondContact O-N 3.1Å; R941-N945 PolarHBondContact O-ND2 3.47Å; R941-N945 PolarHBondContact O-OD1 2.98Å |
| 942 | E | 82.4 | Confident | 82.8 | Confident | 127 Ų | 127 | 83.7 Ų | 83.7 | 59% | 0.593 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.2 | -41.4 | 177.3 | -175.6 | 174.1 | -119.2 | 0 | 0 | 111.1 | A938 N945 M946 | A938-E942 WeakPolarHBondContact O-CB 3.42Å; A938-E942 PolarHBondContact O-N 3.48Å; E942-N945 PolarHBondContact O-N 3.4Å; E942-M946 VanDerWaalsContact O-CG 3.26Å; E942-M946 WeakPolarHBondContact O-CG 3.5Å; E942-M946 PolarHBondContact O-N 3.42Å |
| 943 | T | 81 | Confident | 82.8 | Confident | 28 Ų | 28 | 79.9 Ų | 79.9 | 17% | 0.172 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.8 | -55.6 | 169.3 | -63.6 | 0 | 0 | 0 | 0 | 110.5 | H939 R941 N945 M946 L947 T1082 | H939-T943 WeakPolarHBondContact O-CB 3.28Å; H939-T943 PolarHBondContact O-N 3.11Å; H939-T943 PolarHBondContact O-OG1 2.77Å; R941-T943 VanDerWaalsContact C-N 3.32Å; T943-N945 VanDerWaalsContact C-N 3.25Å; T943-N945 PolarHBondContact O-N 3.32Å; T943-M946 CarbonylContact O-C 2.8Å; T943-M946 WeakPolarHBondContact O-CA 3.34Å; T943-M946 VanDerWaalsContact O-CB 3.31Å; T943-M946 WeakPolarHBondContact O-CB 3.2Å; T943-M946 PolarHBondContact O-N 3.32Å; T943-L947 PolarHBondContact O-N 2.88Å; T943-T1082 CarbonylContact C-O 3.46Å; T943-T1082 VanDerWaalsContact C-O 3.32Å; T943-T1082 VanDerWaalsContact CG2-C 3.41Å; T943-T1082 WeakPolarHBondContact CG2-O 3.44Å |
| 944 | Q | 82.6 | Confident | 82.8 | Confident | 117 Ų | 117 | 79.1 Ų | 79.1 | 55% | 0.547 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -54.2 | -38.1 | 177.5 | -169.9 | 82.2 | 20.1 | 0 | 0 | 113.1 | S940 R941 L947 S948 | S940-Q944 VanDerWaalsContact O-CB 3.27Å; S940-Q944 WeakPolarHBondContact O-CB 3.43Å; S940-Q944 PolarHBondContact O-N 3.24Å; R941-Q944 PolarHBondContact O-N 3.07Å; Q944-L947 WeakPolarHBondContact O-CB 3.08Å; Q944-L947 PolarHBondContact O-N 3.46Å; Q944-S948 PolarHBondContact O-N 3.46Å |
| 945 | N | 84.8 | Confident | 82.9 | Confident | 99 Ų | 99 | 78.6 Ų | 78.6 | 53% | 0.529 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 174.2 | -71.3 | -15 | 0 | 0 | 0 | 110.9 | R941 E942 T943 L947 S948 D949 | R941-N945 WeakPolarHBondContact O-CB 3.09Å; R941-N945 PolarHBondContact O-N 3.1Å; R941-N945 PolarHBondContact O-ND2 3.47Å; R941-N945 PolarHBondContact O-OD1 2.98Å; E942-N945 PolarHBondContact O-N 3.4Å; T943-N945 VanDerWaalsContact C-N 3.25Å; T943-N945 PolarHBondContact O-N 3.32Å; N945-L947 VanDerWaalsContact C-N 3.29Å; N945-L947 PolarHBondContact O-N 2.94Å; N945-S948 CarbonylContact O-C 3.57Å; N945-S948 WeakPolarHBondContact O-CA 3.44Å; N945-S948 VanDerWaalsContact O-CB 3.26Å; N945-S948 WeakPolarHBondContact O-CB 3.22Å; N945-S948 PolarHBondContact O-N 3.26Å; N945-D949 PolarHBondContact O-N 2.93Å |
| 946 | M | 82.4 | Confident | 83 | Confident | 69 Ų | 69 | 78.7 Ų | 78.7 | 34% | 0.34 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.8 | -37.1 | 172.9 | -69.3 | -82.8 | -117.6 | 0 | 0 | 111.8 | E942 T943 D949 F950 S1083 P1084 | E942-M946 VanDerWaalsContact O-CG 3.26Å; E942-M946 WeakPolarHBondContact O-CG 3.5Å; E942-M946 PolarHBondContact O-N 3.42Å; T943-M946 CarbonylContact O-C 2.8Å; T943-M946 WeakPolarHBondContact O-CA 3.34Å; T943-M946 VanDerWaalsContact O-CB 3.31Å; T943-M946 WeakPolarHBondContact O-CB 3.2Å; T943-M946 PolarHBondContact O-N 3.32Å; M946-D949 PolarHBondContact O-N 3.42Å; M946-F950 VanDerWaalsContact O-CB 3.28Å; M946-F950 WeakPolarHBondContact O-CB 2.84Å; M946-F950 PolarHBondContact O-N 2.88Å; M946-S1083 CarbonylContact C-O 3.44Å; M946-S1083 WeakPolarHBondContact CB-O 3.35Å; M946-P1084 HydrophobicContact CE-CB 3.53Å; M946-P1084 HydrophobicContact SD-CB 4.29Å |
| 947 | L | 83.4 | Confident | 83.1 | Confident | 39 Ų | 39 | 81.5 Ų | 81.5 | 20% | 0.204 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 169.3 | -127.5 | -179.9 | 0 | 0 | 0 | 112.1 | T943 Q944 N945 D949 F950 N951 T1082 | T943-L947 PolarHBondContact O-N 2.88Å; Q944-L947 WeakPolarHBondContact O-CB 3.08Å; Q944-L947 PolarHBondContact O-N 3.46Å; N945-L947 VanDerWaalsContact C-N 3.29Å; N945-L947 PolarHBondContact O-N 2.94Å; L947-D949 VanDerWaalsContact C-N 3.31Å; L947-D949 PolarHBondContact O-N 3.41Å; L947-F950 PolarHBondContact O-N 3.21Å; L947-N951 WeakPolarHBondContact O-CB 3.48Å; L947-N951 VanDerWaalsContact O-CG 3.29Å; L947-N951 PolarHBondContact O-N 3.35Å; L947-T1082 WeakPolarHBondContact CA-O 3.3Å; L947-T1082 WeakPolarHBondContact CB-O 3.18Å; L947-T1082 WeakPolarHBondContact CD1-OG1 3.14Å; L947-T1082 WeakPolarHBondContact CG-O 3.48Å; L947-T1082 PolarHBondContact N-O 2.87Å |
| 948 | S | 84.4 | Confident | 83.2 | Confident | 51 Ų | 51 | 82.5 Ų | 82.5 | 36% | 0.357 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | 178.7 | -166.8 | 0 | 0 | 0 | 0 | 110.8 | Q944 N945 N951 K952 | Q944-S948 PolarHBondContact O-N 3.46Å; N945-S948 CarbonylContact O-C 3.57Å; N945-S948 WeakPolarHBondContact O-CA 3.44Å; N945-S948 VanDerWaalsContact O-CB 3.26Å; N945-S948 WeakPolarHBondContact O-CB 3.22Å; N945-S948 PolarHBondContact O-N 3.26Å; S948-N951 PolarHBondContact O-N 2.98Å; S948-K952 WeakPolarHBondContact O-CD 3.35Å; S948-K952 WeakPolarHBondContact O-CE 3.43Å; S948-K952 WeakPolarHBondContact O-CG 3.28Å; S948-K952 PolarHBondContact O-N 3.25Å; S948-K952 WeakPolarHBondContact OG-CE 3.34Å; S948-K952 PolarHBondContact OG-NZ 3.44Å |
| 949 | D | 84.9 | Confident | 83.3 | Confident | 78 Ų | 78 | 84.3 Ų | 84.3 | 42% | 0.417 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -77.7 | -31.9 | -179.7 | -66.8 | -23.3 | 0 | 0 | 0 | 112.6 | N945 M946 L947 K952 A953 | N945-D949 PolarHBondContact O-N 2.93Å; M946-D949 PolarHBondContact O-N 3.42Å; L947-D949 VanDerWaalsContact C-N 3.31Å; L947-D949 PolarHBondContact O-N 3.41Å; D949-K952 IonicContact OD1-NZ 3.23Å; D949-K952 PolarHBondContact OD1-NZ 3.26Å; D949-A953 WeakPolarHBondContact O-CB 3.31Å; D949-A953 PolarHBondContact O-N 2.98Å |
| 950 | F | 82.8 | Confident | 83.4 | Confident | 76 Ų | 76 | 85.7 Ų | 85.7 | 33% | 0.333 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 167.7 | -178.9 | -99.8 | 0 | 0 | 0 | 110.9 | M946 L947 A953 Q954 | M946-F950 VanDerWaalsContact O-CB 3.28Å; M946-F950 WeakPolarHBondContact O-CB 2.84Å; M946-F950 PolarHBondContact O-N 2.88Å; L947-F950 PolarHBondContact O-N 3.21Å; F950-A953 CarbonylContact O-C 3.51Å; F950-A953 PolarHBondContact O-N 3.12Å; F950-Q954 VanDerWaalsContact O-CB 3.23Å; F950-Q954 WeakPolarHBondContact O-CB 3.47Å; F950-Q954 PolarHBondContact O-N 2.71Å |
| 951 | N | 85.3 | Confident | 83.5 | Confident | 77 Ų | 77 | 85.2 Ų | 85.2 | 41% | 0.412 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 177.4 | -74.3 | -14 | 0 | 0 | 0 | 111.4 | L947 S948 A953 Q954 E955 | L947-N951 WeakPolarHBondContact O-CB 3.48Å; L947-N951 VanDerWaalsContact O-CG 3.29Å; L947-N951 PolarHBondContact O-N 3.35Å; S948-N951 PolarHBondContact O-N 2.98Å; N951-A953 PolarHBondContact O-N 3.36Å; N951-Q954 CarbonylContact O-C 3.57Å; N951-Q954 WeakPolarHBondContact O-CA 3.1Å; N951-Q954 PolarHBondContact O-N 3.21Å; N951-Q954 VanDerWaalsContact O-N 3.17Å; N951-E955 WeakPolarHBondContact O-CG 3.29Å; N951-E955 PolarHBondContact O-N 3.39Å |
| 952 | K | 85.1 | Confident | 83.3 | Confident | 96 Ų | 96 | 79 Ų | 79 | 42% | 0.417 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 171.4 | -70 | 163.2 | -149 | 155 | 0 | 112 | S948 D949 Q954 E955 L956 | S948-K952 WeakPolarHBondContact O-CD 3.35Å; S948-K952 WeakPolarHBondContact O-CE 3.43Å; S948-K952 WeakPolarHBondContact O-CG 3.28Å; S948-K952 PolarHBondContact O-N 3.25Å; S948-K952 WeakPolarHBondContact OG-CE 3.34Å; S948-K952 PolarHBondContact OG-NZ 3.44Å; D949-K952 IonicContact OD1-NZ 3.23Å; D949-K952 PolarHBondContact OD1-NZ 3.26Å; K952-Q954 VanDerWaalsContact C-N 3.28Å; K952-Q954 PolarHBondContact O-N 2.89Å; K952-E955 CarbonylContact O-C 3.53Å; K952-E955 PolarHBondContact O-N 3.01Å; K952-E955 VanDerWaalsContact O-N 3.1Å; K952-L956 WeakPolarHBondContact O-CB 3.17Å; K952-L956 WeakPolarHBondContact O-CG 3.44Å; K952-L956 PolarHBondContact O-N 3.19Å |
| 953 | A | 80.7 | Confident | 83.2 | Confident | 37 Ų | 37 | 75.6 Ų | 75.6 | 31% | 0.306 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.4 | -33.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | D949 F950 N951 E955 L957 | D949-A953 WeakPolarHBondContact O-CB 3.31Å; D949-A953 PolarHBondContact O-N 2.98Å; F950-A953 CarbonylContact O-C 3.51Å; F950-A953 PolarHBondContact O-N 3.12Å; N951-A953 PolarHBondContact O-N 3.36Å; A953-E955 VanDerWaalsContact C-N 3.33Å; A953-L957 WeakPolarHBondContact O-CB 3.36Å; A953-L957 WeakPolarHBondContact O-CG 3.46Å; A953-L957 PolarHBondContact O-N 3.31Å |
| 954 | Q | 83.3 | Confident | 83.2 | Confident | 74 Ų | 74 | 79.1 Ų | 79.1 | 35% | 0.346 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -78.8 | -12 | 173.3 | -148.7 | -146.2 | 63.6 | 0 | 0 | 112.8 | F950 N951 K952 L957 K958 | F950-Q954 VanDerWaalsContact O-CB 3.23Å; F950-Q954 WeakPolarHBondContact O-CB 3.47Å; F950-Q954 PolarHBondContact O-N 2.71Å; N951-Q954 CarbonylContact O-C 3.57Å; N951-Q954 WeakPolarHBondContact O-CA 3.1Å; N951-Q954 PolarHBondContact O-N 3.21Å; N951-Q954 VanDerWaalsContact O-N 3.17Å; K952-Q954 VanDerWaalsContact C-N 3.28Å; K952-Q954 PolarHBondContact O-N 2.89Å; Q954-L957 CarbonylContact C-O 3.49Å; Q954-L957 VanDerWaalsContact O-O 3.11Å; Q954-K958 HydrophobicContact CG-CD 4.11Å; Q954-K958 WeakPolarHBondContact O-CB 3.3Å; Q954-K958 WeakPolarHBondContact O-CD 3.07Å |
| 955 | E | 84.9 | Confident | 83.2 | Confident | 119 Ų | 119 | 76.9 Ų | 76.9 | 56% | 0.556 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -93.8 | -26 | 168.1 | -75 | -179.3 | 151.8 | 0 | 0 | 112 | N951 K952 A953 L957 D959 | N951-E955 WeakPolarHBondContact O-CG 3.29Å; N951-E955 PolarHBondContact O-N 3.39Å; K952-E955 CarbonylContact O-C 3.53Å; K952-E955 PolarHBondContact O-N 3.01Å; K952-E955 VanDerWaalsContact O-N 3.1Å; A953-E955 VanDerWaalsContact C-N 3.33Å; E955-L957 CarbonylContact C-O 3.59Å; E955-L957 WeakPolarHBondContact CA-O 3.46Å; E955-D959 WeakPolarHBondContact O-CB 3.35Å; E955-D959 PolarHBondContact O-N 3.29Å |
| 956 | L | 84.4 | Confident | 83.1 | Confident | 123 Ų | 123 | 77.8 Ų | 77.8 | 64% | 0.644 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -83.2 | -46.4 | 174.2 | -70.8 | 169.8 | 0 | 0 | 0 | 114.4 | K952 K960 | K952-L956 WeakPolarHBondContact O-CB 3.17Å; K952-L956 WeakPolarHBondContact O-CG 3.44Å; K952-L956 PolarHBondContact O-N 3.19Å; L956-K960 WeakPolarHBondContact O-CB 3.46Å; L956-K960 PolarHBondContact O-N 3.37Å; L956-K960 VanDerWaalsContact O-N 3.15Å |
| 957 | L | 81.6 | Confident | 83.1 | Confident | 111 Ų | 111 | 80.2 Ų | 80.2 | 58% | 0.581 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -56.6 | 166.3 | 142.8 | -67.4 | 169.4 | 0 | 0 | 0 | 107 | A953 Q954 E955 D959 | A953-L957 WeakPolarHBondContact O-CB 3.36Å; A953-L957 WeakPolarHBondContact O-CG 3.46Å; A953-L957 PolarHBondContact O-N 3.31Å; Q954-L957 CarbonylContact C-O 3.49Å; Q954-L957 VanDerWaalsContact O-O 3.11Å; E955-L957 CarbonylContact C-O 3.59Å; E955-L957 WeakPolarHBondContact CA-O 3.46Å; L957-D959 PolarHBondContact O-N 3.45Å |
| 958 | K | 83.7 | Confident | 83 | Confident | 65 Ų | 65 | 82.8 Ų | 82.8 | 28% | 0.283 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | 70.6 | -53.4 | 179.7 | -117 | -175.5 | 149.5 | -167.9 | 0 | 109.8 | Q954 I961 S962 P1057 N1058 | Q954-K958 HydrophobicContact CG-CD 4.11Å; Q954-K958 WeakPolarHBondContact O-CB 3.3Å; Q954-K958 WeakPolarHBondContact O-CD 3.07Å; K958-I961 CarbonylContact O-C 3.58Å; K958-I961 WeakPolarHBondContact O-CA 2.97Å; K958-I961 WeakPolarHBondContact O-CB 3.36Å; K958-I961 VanDerWaalsContact O-CG2 3.28Å; K958-I961 WeakPolarHBondContact O-CG2 3.31Å; K958-I961 PolarHBondContact O-N 3.05Å; K958-S962 PolarHBondContact O-N 3.27Å; K958-S962 PolarHBondContact O-OG 3.48Å; K958-P1057 HydrophobicContact CG-CB 4.38Å; K958-N1058 HydrophobicContact CB-CB 3.63Å; K958-N1058 WeakPolarHBondContact CB-ND2 3.26Å; K958-N1058 WeakPolarHBondContact CB-OD1 3.48Å; K958-N1058 HydrophobicContact CD-CB 4.39Å; K958-N1058 WeakPolarHBondContact CD-OD1 3.24Å; K958-N1058 WeakPolarHBondContact CE-OD1 3.47Å; K958-N1058 HydrophobicContact CG-CB 3.46Å; K958-N1058 VanDerWaalsContact CG-CB 3.46Å; K958-N1058 WeakPolarHBondContact CG-OD1 3.44Å; K958-N1058 WeakPolarHBondContact O-CB 3.31Å; K958-N1058 PolarHBondContact O-ND2 3.21Å |
| 959 | D | 84.4 | Confident | 82.9 | Confident | 75 Ų | 75 | 86.8 Ų | 86.8 | 40% | 0.401 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -68 | -49.5 | 172 | -90 | 7.5 | 0 | 0 | 0 | 111.8 | E955 L957 I961 S962 A963 N1058 L1059 | E955-D959 WeakPolarHBondContact O-CB 3.35Å; E955-D959 PolarHBondContact O-N 3.29Å; L957-D959 PolarHBondContact O-N 3.45Å; D959-I961 PolarHBondContact O-N 3.19Å; D959-S962 WeakPolarHBondContact CA-OG 3.44Å; D959-S962 PolarHBondContact O-N 2.76Å; D959-S962 PolarHBondContact O-OG 2.64Å; D959-A963 PolarHBondContact O-N 2.64Å; D959-N1058 PolarHBondContact N-ND2 3.49Å; D959-N1058 PolarHBondContact OD1-ND2 3.15Å; D959-N1058 VanDerWaalsContact OD1-ND2 3.17Å; D959-L1059 WeakPolarHBondContact OD1-CD2 3.36Å |
| 960 | K | 83.3 | Confident | 82.7 | Confident | 144 Ų | 144 | 84.2 Ų | 84.2 | 63% | 0.626 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -53.3 | -24.2 | 170.6 | -178.5 | 171.4 | -176.3 | 172.7 | 0 | 112.5 | L956 L964 | L956-K960 WeakPolarHBondContact O-CB 3.46Å; L956-K960 PolarHBondContact O-N 3.37Å; L956-K960 VanDerWaalsContact O-N 3.15Å; K960-L964 VanDerWaalsContact O-CG 3.27Å; K960-L964 WeakPolarHBondContact O-CG 3.04Å; K960-L964 PolarHBondContact O-N 3Å; K960-L964 VanDerWaalsContact O-N 3.14Å |
| 961 | I | 81.3 | Confident | 82.4 | Confident | 33 Ų | 33 | 84.2 Ų | 84.2 | 17% | 0.169 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -81.3 | -44 | 177.5 | -96.2 | 59.9 | 0 | 0 | 0 | 110.9 | K958 D959 A963 L964 Q965 P1057 N1058 | K958-I961 CarbonylContact O-C 3.58Å; K958-I961 WeakPolarHBondContact O-CA 2.97Å; K958-I961 WeakPolarHBondContact O-CB 3.36Å; K958-I961 VanDerWaalsContact O-CG2 3.28Å; K958-I961 WeakPolarHBondContact O-CG2 3.31Å; K958-I961 PolarHBondContact O-N 3.05Å; D959-I961 PolarHBondContact O-N 3.19Å; I961-A963 PolarHBondContact O-N 2.76Å; I961-L964 HydrophobicContact CD1-CD1 4.44Å; I961-L964 CarbonylContact O-C 3.58Å; I961-L964 WeakPolarHBondContact O-CA 3.07Å; I961-L964 WeakPolarHBondContact O-CB 3.06Å; I961-L964 PolarHBondContact O-N 3.44Å; I961-Q965 PolarHBondContact O-N 2.79Å; I961-P1057 VanDerWaalsContact CG2-C 3.44Å; I961-P1057 WeakPolarHBondContact CG2-O 3.35Å; I961-N1058 HydrophobicContact CG2-CB 4.12Å |
| 962 | S | 82.8 | Confident | 82.1 | Confident | 20 Ų | 20 | 84.5 Ų | 84.5 | 14% | 0.14 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -66 | -32.9 | 174.3 | 48.4 | 0 | 0 | 0 | 0 | 110.8 | K958 D959 Q965 I966 | K958-S962 PolarHBondContact O-N 3.27Å; K958-S962 PolarHBondContact O-OG 3.48Å; D959-S962 WeakPolarHBondContact CA-OG 3.44Å; D959-S962 PolarHBondContact O-N 2.76Å; D959-S962 PolarHBondContact O-OG 2.64Å; S962-Q965 PolarHBondContact O-N 2.83Å; S962-I966 WeakPolarHBondContact O-CB 3.3Å; S962-I966 WeakPolarHBondContact O-CD1 3.43Å; S962-I966 WeakPolarHBondContact O-CG1 3.41Å; S962-I966 PolarHBondContact O-N 3.3Å |
| 963 | A | 81.1 | Confident | 81.8 | Confident | 56 Ų | 56 | 85.7 Ų | 85.7 | 46% | 0.463 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 167 | 0 | 0 | 0 | 0 | 0 | 112.4 | D959 I961 L967 | D959-A963 PolarHBondContact O-N 2.64Å; I961-A963 PolarHBondContact O-N 2.76Å; A963-L967 WeakPolarHBondContact O-CB 3.37Å; A963-L967 PolarHBondContact O-N 3.07Å |
| 964 | L | 80.1 | Confident | 81.7 | Confident | 103 Ų | 103 | 91.8 Ų | 91.8 | 54% | 0.539 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.8 | -36.3 | 174.1 | -78.3 | 165.9 | 0 | 0 | 0 | 112.9 | K960 I961 L967 L968 | K960-L964 VanDerWaalsContact O-CG 3.27Å; K960-L964 WeakPolarHBondContact O-CG 3.04Å; K960-L964 PolarHBondContact O-N 3Å; K960-L964 VanDerWaalsContact O-N 3.14Å; I961-L964 HydrophobicContact CD1-CD1 4.44Å; I961-L964 CarbonylContact O-C 3.58Å; I961-L964 WeakPolarHBondContact O-CA 3.07Å; I961-L964 WeakPolarHBondContact O-CB 3.06Å; I961-L964 PolarHBondContact O-N 3.44Å; L964-L967 PolarHBondContact O-N 2.76Å; L964-L968 VanDerWaalsContact O-CB 3.3Å; L964-L968 WeakPolarHBondContact O-CB 3.03Å; L964-L968 PolarHBondContact O-N 2.87Å |
| 965 | Q | 81.8 | Confident | 81.2 | Confident | 69 Ų | 69 | 95.5 Ų | 95.5 | 32% | 0.322 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.2 | -44.6 | 174.4 | -74.2 | 162.8 | -13.8 | 0 | 0 | 111.3 | I961 S962 L967 L968 E969 S1056 P1057 | I961-Q965 PolarHBondContact O-N 2.79Å; S962-Q965 PolarHBondContact O-N 2.83Å; Q965-L967 VanDerWaalsContact C-N 3.26Å; Q965-L967 PolarHBondContact O-N 3.42Å; Q965-L968 CarbonylContact O-C 3.56Å; Q965-L968 WeakPolarHBondContact O-CB 3.31Å; Q965-L968 PolarHBondContact O-N 2.91Å; Q965-L968 VanDerWaalsContact O-N 3.09Å; Q965-E969 WeakPolarHBondContact O-CB 3.49Å; Q965-E969 WeakPolarHBondContact O-CG 3.49Å; Q965-E969 PolarHBondContact O-N 3.48Å; Q965-S1056 PolarHBondContact NE2-O 3.1Å; Q965-P1057 PolarHBondContact NE2-O 2.85Å; Q965-P1057 PolarHBondContact OE1-O 3.37Å |
| 966 | I | 82.7 | Confident | 80.7 | Confident | 118 Ų | 118 | 98.5 Ų | 98.5 | 61% | 0.605 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61 | -36.8 | 172.7 | -69.2 | 163.6 | 0 | 0 | 0 | 110.7 | S962 G970 | S962-I966 WeakPolarHBondContact O-CB 3.3Å; S962-I966 WeakPolarHBondContact O-CD1 3.43Å; S962-I966 WeakPolarHBondContact O-CG1 3.41Å; S962-I966 PolarHBondContact O-N 3.3Å; I966-G970 WeakPolarHBondContact O-CA 3.41Å; I966-G970 PolarHBondContact O-N 3.12Å |
| 967 | L | 82.8 | Confident | 80.2 | Confident | 121 Ų | 121 | 98.2 Ų | 98.2 | 63% | 0.634 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.3 | -41.5 | 173.2 | -144.8 | 81.8 | 0 | 0 | 0 | 111.7 | A963 L964 Q965 G970 T971 | A963-L967 WeakPolarHBondContact O-CB 3.37Å; A963-L967 PolarHBondContact O-N 3.07Å; L964-L967 PolarHBondContact O-N 2.76Å; Q965-L967 VanDerWaalsContact C-N 3.26Å; Q965-L967 PolarHBondContact O-N 3.42Å; L967-G970 CarbonylContact O-C 3.45Å; L967-G970 PolarHBondContact O-N 3.13Å; L967-T971 WeakPolarHBondContact O-CG2 3.36Å; L967-T971 PolarHBondContact O-N 3.18Å; L967-T971 PolarHBondContact O-OG1 2.88Å |
| 968 | L | 81.4 | Confident | 79.8 | Confident | 92 Ų | 92 | 101.1 Ų | 101.1 | 48% | 0.482 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.1 | -54.5 | 179 | -176.2 | 66.6 | 0 | 0 | 0 | 110.8 | L964 Q965 G970 T971 E972 | L964-L968 VanDerWaalsContact O-CB 3.3Å; L964-L968 WeakPolarHBondContact O-CB 3.03Å; L964-L968 PolarHBondContact O-N 2.87Å; Q965-L968 CarbonylContact O-C 3.56Å; Q965-L968 WeakPolarHBondContact O-CB 3.31Å; Q965-L968 PolarHBondContact O-N 2.91Å; Q965-L968 VanDerWaalsContact O-N 3.09Å; L968-G970 VanDerWaalsContact C-N 3.28Å; L968-G970 PolarHBondContact O-N 3.11Å; L968-T971 CarbonylContact O-C 3.58Å; L968-T971 WeakPolarHBondContact O-CA 3.47Å; L968-T971 PolarHBondContact O-N 2.93Å; L968-T971 PolarHBondContact O-OG1 3.39Å; L968-E972 PolarHBondContact O-N 2.83Å |
| 969 | E | 83 | Confident | 79.1 | Confident | 135 Ų | 135 | 106.5 Ų | 106.5 | 63% | 0.631 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -55.9 | -43.1 | 172.9 | -70.9 | -171.3 | 134.6 | 0 | 0 | 111 | Q965 T971 E972 E973 | Q965-E969 WeakPolarHBondContact O-CB 3.49Å; Q965-E969 WeakPolarHBondContact O-CG 3.49Å; Q965-E969 PolarHBondContact O-N 3.48Å; E969-T971 VanDerWaalsContact C-N 3.26Å; E969-T971 PolarHBondContact O-N 3.06Å; E969-E972 PolarHBondContact O-N 3.03Å; E969-E973 VanDerWaalsContact O-CB 3.28Å; E969-E973 WeakPolarHBondContact O-CB 3.46Å; E969-E973 PolarHBondContact O-N 3.03Å |
| 970 | G | 80.1 | Confident | 78.3 | Confident | 24 Ų | 24 | 106.5 Ų | 106.5 | 25% | 0.247 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -64.9 | -23.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | I966 L967 L968 K974 | I966-G970 WeakPolarHBondContact O-CA 3.41Å; I966-G970 PolarHBondContact O-N 3.12Å; L967-G970 CarbonylContact O-C 3.45Å; L967-G970 PolarHBondContact O-N 3.13Å; L968-G970 VanDerWaalsContact C-N 3.28Å; L968-G970 PolarHBondContact O-N 3.11Å; G970-K974 VanDerWaalsContact O-CD 3.25Å; G970-K974 WeakPolarHBondContact O-CD 3.08Å; G970-K974 WeakPolarHBondContact O-CG 3.43Å; G970-K974 PolarHBondContact O-N 3.05Å |
| 971 | T | 77.2 | Confident | 77.9 | Confident | 77 Ų | 77 | 106.1 Ų | 106.1 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -85.5 | -35.1 | 169.7 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | L967 L968 E969 K974 F975 | L967-T971 WeakPolarHBondContact O-CG2 3.36Å; L967-T971 PolarHBondContact O-N 3.18Å; L967-T971 PolarHBondContact O-OG1 2.88Å; L968-T971 CarbonylContact O-C 3.58Å; L968-T971 WeakPolarHBondContact O-CA 3.47Å; L968-T971 PolarHBondContact O-N 2.93Å; L968-T971 PolarHBondContact O-OG1 3.39Å; E969-T971 VanDerWaalsContact C-N 3.26Å; E969-T971 PolarHBondContact O-N 3.06Å; T971-K974 PolarHBondContact O-N 3Å; T971-F975 WeakPolarHBondContact O-CB 3.4Å; T971-F975 PolarHBondContact O-N 2.7Å |
| 972 | E | 79.7 | Confident | 77.4 | Confident | 83 Ų | 83 | 109.3 Ų | 109.3 | 39% | 0.388 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 172.7 | -75.7 | -160.5 | -150.4 | 0 | 0 | 111.7 | L968 E969 F975 R976 | L968-E972 PolarHBondContact O-N 2.83Å; E969-E972 PolarHBondContact O-N 3.03Å; E972-F975 CarbonylContact O-C 3.59Å; E972-F975 WeakPolarHBondContact O-CB 3.47Å; E972-F975 PolarHBondContact O-N 2.76Å; E972-F975 VanDerWaalsContact O-N 3.12Å; E972-R976 WeakPolarHBondContact O-CB 3.34Å; E972-R976 VanDerWaalsContact O-CG 3.23Å; E972-R976 WeakPolarHBondContact O-CG 3.38Å; E972-R976 PolarHBondContact O-N 2.84Å; E972-R976 IonicContact OE2-CZ 2.68Å; E972-R976 IonicContact OE2-NE 3.77Å; E972-R976 IonicContact OE2-NH2 2.67Å; E972-R976 PolarHBondContact OE2-NH2 2.73Å |
| 973 | E | 78.3 | Confident | 77.1 | Confident | 121 Ų | 121 | 113.5 Ų | 113.5 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.8 | -40.9 | 176.2 | -172.3 | 170.7 | -128.4 | 0 | 0 | 110.8 | E969 F975 R976 N977 | E969-E973 VanDerWaalsContact O-CB 3.28Å; E969-E973 WeakPolarHBondContact O-CB 3.46Å; E969-E973 PolarHBondContact O-N 3.03Å; E973-F975 PolarHBondContact O-N 2.74Å; E973-R976 PolarHBondContact O-N 2.78Å; E973-N977 VanDerWaalsContact CG-ND2 3.27Å; E973-N977 WeakPolarHBondContact CG-ND2 3.44Å; E973-N977 VanDerWaalsContact O-CB 3.24Å; E973-N977 WeakPolarHBondContact O-CB 2.95Å; E973-N977 PolarHBondContact O-N 3.18Å |
| 974 | K | 77.4 | Confident | 76.8 | Confident | 164 Ų | 164 | 114.3 Ų | 114.3 | 71% | 0.713 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.2 | -27.5 | 169.5 | -74.4 | 170.1 | -171.3 | 171.4 | 0 | 113.4 | G970 T971 R978 | G970-K974 VanDerWaalsContact O-CD 3.25Å; G970-K974 WeakPolarHBondContact O-CD 3.08Å; G970-K974 WeakPolarHBondContact O-CG 3.43Å; G970-K974 PolarHBondContact O-N 3.05Å; T971-K974 PolarHBondContact O-N 3Å; K974-R978 PolarHBondContact O-N 3.45Å |
| 975 | F | 73.3 | Confident | 76.7 | Confident | 153 Ų | 153 | 114.2 Ų | 114.2 | 67% | 0.671 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -79.5 | -40.1 | 175 | -176.7 | -94.5 | 0 | 0 | 0 | 112.2 | T971 E972 E973 R978 | T971-F975 WeakPolarHBondContact O-CB 3.4Å; T971-F975 PolarHBondContact O-N 2.7Å; E972-F975 CarbonylContact O-C 3.59Å; E972-F975 WeakPolarHBondContact O-CB 3.47Å; E972-F975 PolarHBondContact O-N 2.76Å; E972-F975 VanDerWaalsContact O-N 3.12Å; E973-F975 PolarHBondContact O-N 2.74Å; F975-R978 WeakPolarHBondContact O-CB 3.37Å |
| 976 | R | 74.5 | Confident | 76.5 | Confident | 181 Ų | 181 | 116.7 Ų | 116.7 | 68% | 0.683 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -73 | -39.9 | 178.2 | -68 | 170.2 | -165.8 | -167.2 | 7.3 | 112.3 | E972 E973 R978 | E972-R976 WeakPolarHBondContact O-CB 3.34Å; E972-R976 VanDerWaalsContact O-CG 3.23Å; E972-R976 WeakPolarHBondContact O-CG 3.38Å; E972-R976 PolarHBondContact O-N 2.84Å; E972-R976 IonicContact OE2-CZ 2.68Å; E972-R976 IonicContact OE2-NE 3.77Å; E972-R976 IonicContact OE2-NH2 2.67Å; E972-R976 PolarHBondContact OE2-NH2 2.73Å; E973-R976 PolarHBondContact O-N 2.78Å; R976-R978 VanDerWaalsContact C-N 3.27Å; R976-R978 PolarHBondContact O-N 3.41Å |
| 977 | N | 73.1 | Confident | 76.5 | Confident | 118 Ų | 118 | 114.5 Ų | 114.5 | 63% | 0.631 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 20.6 | 177.9 | -60.7 | -21.3 | 0 | 0 | 0 | 112.5 | E973 E979 | E973-N977 VanDerWaalsContact CG-ND2 3.27Å; E973-N977 WeakPolarHBondContact CG-ND2 3.44Å; E973-N977 VanDerWaalsContact O-CB 3.24Å; E973-N977 WeakPolarHBondContact O-CB 2.95Å; E973-N977 PolarHBondContact O-N 3.18Å; N977-E979 PolarHBondContact O-N 2.93Å |
| 978 | R | 73.2 | Confident | 76.3 | Confident | 172 Ų | 172 | 112.6 Ų | 112.6 | 65% | 0.649 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 126.7 | 174.4 | 178.8 | 177.3 | 175.2 | 166.2 | 2.2 | 109.8 | K974 F975 R976 | K974-R978 PolarHBondContact O-N 3.45Å; F975-R978 WeakPolarHBondContact O-CB 3.37Å; R976-R978 VanDerWaalsContact C-N 3.27Å; R976-R978 PolarHBondContact O-N 3.41Å |
| 979 | E | 69.1 | Low | 76.3 | Confident | 177 Ų | 177 | 110.8 Ų | 110.8 | 83% | 0.827 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 138.6 | 176.1 | -61.2 | -177.9 | 152.1 | 0 | 0 | 111.5 | N977 | N977-E979 PolarHBondContact O-N 2.93Š|
| 980 | S | 69.3 | Low | 76.2 | Confident | 76 Ų | 76 | 108.8 Ų | 108.8 | 53% | 0.531 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -63 | 150.6 | 171.9 | -53.2 | 0 | 0 | 0 | 0 | 110.1 | ||
| 981 | R | 74.3 | Confident | 76.3 | Confident | 136 Ų | 136 | 112.1 Ų | 112.1 | 51% | 0.513 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 153.7 | -171.8 | -55.3 | -174.3 | -173.5 | -167.3 | 2.1 | 111 | E983 D984 L985 | R981-E983 HydrophobicContact CB-CB 4.09Å; R981-E983 WeakPolarHBondContact CD-OE2 3.08Å; R981-E983 IonicContact CZ-OE2 2.74Å; R981-E983 IonicContact NE-OE2 2.75Å; R981-E983 IonicContact NH1-OE2 3.96Å; R981-E983 PolarHBondContact NH1-OE2 2.81Å; R981-E983 PolarHBondContact O-N 3.23Å; R981-D984 HydrophobicContact CB-CB 4.47Å; R981-D984 VanDerWaalsContact CB-OD2 3.23Å; R981-D984 WeakPolarHBondContact CB-OD2 3.38Å; R981-D984 VanDerWaalsContact CG-OD2 3.31Å; R981-D984 WeakPolarHBondContact CG-OD2 3.49Å; R981-D984 PolarHBondContact N-OD2 3.35Å; R981-D984 PolarHBondContact O-N 2.73Å; R981-L985 WeakPolarHBondContact O-CG 3.45Å; R981-L985 PolarHBondContact O-N 3.47Å |
| 982 | P | 71.1 | Confident | 76.4 | Confident | 99 Ų | 99 | 115.1 Ų | 115.1 | 64% | 0.643 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -56.5 | -34.8 | 168.9 | 24.5 | -34 | 0 | 0 | 0 | 111.4 | L985 Q986 | P982-L985 PolarHBondContact O-N 2.96Å; P982-Q986 WeakPolarHBondContact O-CB 3.26Å; P982-Q986 PolarHBondContact O-N 2.82Å |
| 983 | E | 76.6 | Confident | 76.6 | Confident | 108 Ų | 108 | 117.4 Ų | 117.4 | 51% | 0.505 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -51.1 | -54.8 | 168.7 | -61.4 | 127.2 | -114.8 | 0 | 0 | 112.1 | R981 V987 | R981-E983 HydrophobicContact CB-CB 4.09Å; R981-E983 WeakPolarHBondContact CD-OE2 3.08Å; R981-E983 IonicContact CZ-OE2 2.74Å; R981-E983 IonicContact NE-OE2 2.75Å; R981-E983 IonicContact NH1-OE2 3.96Å; R981-E983 PolarHBondContact NH1-OE2 2.81Å; R981-E983 PolarHBondContact O-N 3.23Å; E983-V987 WeakPolarHBondContact O-CG2 3.4Å; E983-V987 PolarHBondContact O-N 2.87Å; E983-V987 VanDerWaalsContact O-N 3.08Å |
| 984 | D | 74.9 | Confident | 76.8 | Confident | 74 Ų | 74 | 115.4 Ų | 115.4 | 40% | 0.396 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.5 | -41.8 | -177.2 | -55.4 | -47 | 0 | 0 | 0 | 111.3 | R981 I988 | R981-D984 HydrophobicContact CB-CB 4.47Å; R981-D984 VanDerWaalsContact CB-OD2 3.23Å; R981-D984 WeakPolarHBondContact CB-OD2 3.38Å; R981-D984 VanDerWaalsContact CG-OD2 3.31Å; R981-D984 WeakPolarHBondContact CG-OD2 3.49Å; R981-D984 PolarHBondContact N-OD2 3.35Å; R981-D984 PolarHBondContact O-N 2.73Å; D984-I988 WeakPolarHBondContact O-CB 3.48Å; D984-I988 WeakPolarHBondContact O-CD1 3.42Å; D984-I988 WeakPolarHBondContact O-CG1 3.45Å; D984-I988 PolarHBondContact O-N 3.31Å |
| 985 | L | 77.1 | Confident | 77.1 | Confident | 101 Ų | 101 | 111.2 Ų | 111.2 | 53% | 0.529 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.2 | -39.9 | -178.7 | -69 | 173.7 | 0 | 0 | 0 | 112.2 | R981 P982 I988 A989 | R981-L985 WeakPolarHBondContact O-CG 3.45Å; R981-L985 PolarHBondContact O-N 3.47Å; P982-L985 PolarHBondContact O-N 2.96Å; L985-I988 PolarHBondContact O-N 3.16Å; L985-A989 PolarHBondContact O-N 3.3Å |
| 986 | Q | 78.3 | Confident | 77.5 | Confident | 120 Ų | 120 | 107.9 Ų | 107.9 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.1 | -46 | 175.7 | -179.2 | 171 | -19.5 | 0 | 0 | 111.1 | P982 I988 A989 E990 | P982-Q986 WeakPolarHBondContact O-CB 3.26Å; P982-Q986 PolarHBondContact O-N 2.82Å; Q986-I988 VanDerWaalsContact C-N 3.26Å; Q986-I988 PolarHBondContact O-N 3.41Å; Q986-A989 WeakPolarHBondContact O-CA 3.42Å; Q986-A989 WeakPolarHBondContact O-CB 3.39Å; Q986-A989 PolarHBondContact O-N 3.07Å; Q986-E990 HydrophobicContact CG-CG 4.42Å; Q986-E990 VanDerWaalsContact CG-OE1 3.3Å; Q986-E990 WeakPolarHBondContact CG-OE1 3.37Å; Q986-E990 PolarHBondContact NE2-OE1 3.25Å; Q986-E990 PolarHBondContact O-N 2.85Å |
| 987 | V | 82.6 | Confident | 77.9 | Confident | 73 Ų | 73 | 105.2 Ų | 105.2 | 44% | 0.442 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.3 | -37.9 | 174.6 | 169.6 | 0 | 0 | 0 | 0 | 111.4 | E983 A989 L991 | E983-V987 WeakPolarHBondContact O-CG2 3.4Å; E983-V987 PolarHBondContact O-N 2.87Å; E983-V987 VanDerWaalsContact O-N 3.08Å; V987-A989 VanDerWaalsContact C-N 3.33Å; V987-A989 PolarHBondContact O-N 3.16Å; V987-L991 HydrophobicContact CG1-CD1 3.71Å; V987-L991 HydrophobicContact CG1-CG 4.24Å; V987-L991 VanDerWaalsContact O-CB 3.23Å; V987-L991 WeakPolarHBondContact O-CB 3.22Å; V987-L991 WeakPolarHBondContact O-CD1 3.43Å; V987-L991 WeakPolarHBondContact O-CG 3.4Å; V987-L991 PolarHBondContact O-N 2.88Å |
| 988 | I | 77.6 | Confident | 78.3 | Confident | 80 Ų | 80 | 106.7 Ų | 106.7 | 41% | 0.41 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.2 | -30.3 | 174.4 | -73.5 | 166.3 | 0 | 0 | 0 | 112.6 | D984 L985 Q986 K992 | D984-I988 WeakPolarHBondContact O-CB 3.48Å; D984-I988 WeakPolarHBondContact O-CD1 3.42Å; D984-I988 WeakPolarHBondContact O-CG1 3.45Å; D984-I988 PolarHBondContact O-N 3.31Å; L985-I988 PolarHBondContact O-N 3.16Å; Q986-I988 VanDerWaalsContact C-N 3.26Å; Q986-I988 PolarHBondContact O-N 3.41Å; I988-K992 HydrophobicContact CG2-CD 4.35Å; I988-K992 WeakPolarHBondContact O-CD 3.41Å; I988-K992 VanDerWaalsContact O-CG 3.23Å; I988-K992 WeakPolarHBondContact O-CG 3.38Å; I988-K992 PolarHBondContact O-N 3.48Å |
| 989 | A | 81.3 | Confident | 78.7 | Confident | 54 Ų | 54 | 104.7 Ų | 104.7 | 45% | 0.446 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72.6 | -52.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L985 Q986 V987 L991 K992 E993 | L985-A989 PolarHBondContact O-N 3.3Å; Q986-A989 WeakPolarHBondContact O-CA 3.42Å; Q986-A989 WeakPolarHBondContact O-CB 3.39Å; Q986-A989 PolarHBondContact O-N 3.07Å; V987-A989 VanDerWaalsContact C-N 3.33Å; V987-A989 PolarHBondContact O-N 3.16Å; A989-L991 VanDerWaalsContact C-N 3.31Å; A989-L991 PolarHBondContact O-N 3.04Å; A989-K992 WeakPolarHBondContact O-CB 3.44Å; A989-K992 PolarHBondContact O-N 2.9Å; A989-E993 PolarHBondContact O-N 2.97Å |
| 990 | E | 82.3 | Confident | 79.1 | Confident | 94 Ų | 94 | 99.5 Ų | 99.5 | 44% | 0.439 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.8 | -40.2 | 178.6 | -68.1 | 171.9 | -171.2 | 0 | 0 | 111.9 | Q986 K992 E993 M994 | Q986-E990 HydrophobicContact CG-CG 4.42Å; Q986-E990 VanDerWaalsContact CG-OE1 3.3Å; Q986-E990 WeakPolarHBondContact CG-OE1 3.37Å; Q986-E990 PolarHBondContact NE2-OE1 3.25Å; Q986-E990 PolarHBondContact O-N 2.85Å; E990-K992 PolarHBondContact O-N 3.37Å; E990-E993 PolarHBondContact O-N 3.43Å; E990-M994 WeakPolarHBondContact O-CB 3.43Å; E990-M994 PolarHBondContact O-N 3.49Å |
| 991 | L | 81.1 | Confident | 79.7 | Confident | 94 Ų | 94 | 100.5 Ų | 100.5 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -35 | 174.3 | -75.2 | 171 | 0 | 0 | 0 | 113.1 | V987 A989 M994 V995 | V987-L991 HydrophobicContact CG1-CD1 3.71Å; V987-L991 HydrophobicContact CG1-CG 4.24Å; V987-L991 VanDerWaalsContact O-CB 3.23Å; V987-L991 WeakPolarHBondContact O-CB 3.22Å; V987-L991 WeakPolarHBondContact O-CD1 3.43Å; V987-L991 WeakPolarHBondContact O-CG 3.4Å; V987-L991 PolarHBondContact O-N 2.88Å; A989-L991 VanDerWaalsContact C-N 3.31Å; A989-L991 PolarHBondContact O-N 3.04Å; L991-M994 HydrophobicContact CD2-CE 3.92Å; L991-V995 VanDerWaalsContact O-CG2 3.26Å; L991-V995 WeakPolarHBondContact O-CG2 3.38Å; L991-V995 PolarHBondContact O-N 3.31Å |
| 992 | K | 80.4 | Confident | 80 | Confident | 139 Ų | 139 | 98.4 Ų | 98.4 | 60% | 0.604 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.7 | -44 | 175.8 | -77.7 | 167.5 | -177.5 | 170.7 | 0 | 111.2 | I988 A989 E990 V995 T996 | I988-K992 HydrophobicContact CG2-CD 4.35Å; I988-K992 WeakPolarHBondContact O-CD 3.41Å; I988-K992 VanDerWaalsContact O-CG 3.23Å; I988-K992 WeakPolarHBondContact O-CG 3.38Å; I988-K992 PolarHBondContact O-N 3.48Å; A989-K992 WeakPolarHBondContact O-CB 3.44Å; A989-K992 PolarHBondContact O-N 2.9Å; E990-K992 PolarHBondContact O-N 3.37Å; K992-V995 PolarHBondContact O-N 3.06Å; K992-T996 PolarHBondContact O-N 3.15Å; K992-T996 PolarHBondContact O-OG1 3.28Å |
| 993 | E | 83.6 | Confident | 80.5 | Confident | 132 Ų | 132 | 100.7 Ų | 100.7 | 62% | 0.617 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.4 | -52 | 178 | -167.7 | 159.7 | -140.4 | 0 | 0 | 110.5 | A989 E990 V995 T996 E997 | A989-E993 PolarHBondContact O-N 2.97Å; E990-E993 PolarHBondContact O-N 3.43Å; E993-V995 PolarHBondContact O-N 2.95Å; E993-V995 VanDerWaalsContact O-N 3.12Å; E993-T996 PolarHBondContact O-N 3.14Å; E993-T996 PolarHBondContact O-OG1 2.85Å; E993-E997 PolarHBondContact O-N 3.42Å |
| 994 | M | 82 | Confident | 80.7 | Confident | 78 Ų | 78 | 102 Ų | 102 | 38% | 0.384 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.9 | -26.1 | 173.8 | -89.9 | -150.9 | -63.6 | 0 | 0 | 115.3 | E990 L991 R998 | E990-M994 WeakPolarHBondContact O-CB 3.43Å; E990-M994 PolarHBondContact O-N 3.49Å; L991-M994 HydrophobicContact CD2-CE 3.92Å; M994-R998 WeakPolarHBondContact O-CG 3.15Å; M994-R998 PolarHBondContact O-N 3.12Å; M994-R998 PolarHBondContact O-NH1 3.23Å; M994-R998 PolarHBondContact SD-NH1 3.45Å; M994-R998 VanDerWaalsContact SD-NH1 3.44Å |
| 995 | V | 83.6 | Confident | 80.9 | Confident | 76 Ų | 76 | 103.6 Ų | 103.6 | 46% | 0.461 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -75.8 | -48.2 | 173 | 164.2 | 0 | 0 | 0 | 0 | 109.8 | L991 K992 E993 E997 R998 E999 | L991-V995 VanDerWaalsContact O-CG2 3.26Å; L991-V995 WeakPolarHBondContact O-CG2 3.38Å; L991-V995 PolarHBondContact O-N 3.31Å; K992-V995 PolarHBondContact O-N 3.06Å; E993-V995 PolarHBondContact O-N 2.95Å; E993-V995 VanDerWaalsContact O-N 3.12Å; V995-E997 VanDerWaalsContact C-N 3.32Å; V995-E997 PolarHBondContact O-N 2.76Å; V995-R998 PolarHBondContact O-N 3.3Å; V995-R998 VanDerWaalsContact O-N 3.16Å; V995-E999 HydrophobicContact CG1-CG 4.45Å; V995-E999 WeakPolarHBondContact O-CG 3.43Å; V995-E999 PolarHBondContact O-N 2.74Å |
| 996 | T | 81 | Confident | 81 | Confident | 84 Ų | 84 | 102.4 Ų | 102.4 | 52% | 0.515 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -36.8 | 178 | 57.6 | 0 | 0 | 0 | 0 | 113 | K992 E993 E999 S1000 | K992-T996 PolarHBondContact O-N 3.15Å; K992-T996 PolarHBondContact O-OG1 3.28Å; E993-T996 PolarHBondContact O-N 3.14Å; E993-T996 PolarHBondContact O-OG1 2.85Å; T996-E999 PolarHBondContact O-N 3.17Å; T996-S1000 PolarHBondContact O-N 3.45Å |
| 997 | E | 83.3 | Confident | 81 | Confident | 124 Ų | 124 | 100.4 Ų | 100.4 | 58% | 0.579 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.2 | -49.2 | 171.7 | -71.3 | -168.5 | 130.6 | 0 | 0 | 111.8 | E993 V995 E999 S1000 L1001 | E993-E997 PolarHBondContact O-N 3.42Å; V995-E997 VanDerWaalsContact C-N 3.32Å; V995-E997 PolarHBondContact O-N 2.76Å; E997-E999 PolarHBondContact O-N 3.21Å; E997-S1000 WeakPolarHBondContact O-CB 3.1Å; E997-S1000 PolarHBondContact O-N 2.7Å; E997-S1000 PolarHBondContact O-OG 3Å; E997-L1001 PolarHBondContact O-N 3.49Å |
| 998 | R | 81.6 | Confident | 80.8 | Confident | 149 Ų | 149 | 100.9 Ų | 100.9 | 56% | 0.562 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.9 | -39.9 | 179.4 | -79.8 | -177.3 | 175.9 | 82.8 | -2.9 | 112.4 | M994 V995 S1000 L1001 V1002 | M994-R998 WeakPolarHBondContact O-CG 3.15Å; M994-R998 PolarHBondContact O-N 3.12Å; M994-R998 PolarHBondContact O-NH1 3.23Å; M994-R998 PolarHBondContact SD-NH1 3.45Å; M994-R998 VanDerWaalsContact SD-NH1 3.44Å; V995-R998 PolarHBondContact O-N 3.3Å; V995-R998 VanDerWaalsContact O-N 3.16Å; R998-S1000 VanDerWaalsContact C-N 3.3Å; R998-S1000 PolarHBondContact O-N 3.12Å; R998-L1001 PolarHBondContact O-N 3.03Å; R998-V1002 WeakPolarHBondContact O-CG2 3.26Å; R998-V1002 PolarHBondContact O-N 2.96Å |
| 999 | E | 81.4 | Confident | 80.7 | Confident | 130 Ų | 130 | 103.3 Ų | 103.3 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.7 | -39.1 | 174 | -72.1 | -178.2 | 165.8 | 0 | 0 | 111.5 | V995 T996 E997 K1003 | V995-E999 HydrophobicContact CG1-CG 4.45Å; V995-E999 WeakPolarHBondContact O-CG 3.43Å; V995-E999 PolarHBondContact O-N 2.74Å; T996-E999 PolarHBondContact O-N 3.17Å; E997-E999 PolarHBondContact O-N 3.21Å; E999-K1003 PolarHBondContact O-N 3.47Å |
| 1000 | S | 78.2 | Confident | 80.3 | Confident | 68 Ų | 68 | 106.8 Ų | 106.8 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.7 | -37.4 | 174.6 | 87.6 | 0 | 0 | 0 | 0 | 113.1 | T996 E997 R998 K1004 | T996-S1000 PolarHBondContact O-N 3.45Å; E997-S1000 WeakPolarHBondContact O-CB 3.1Å; E997-S1000 PolarHBondContact O-N 2.7Å; E997-S1000 PolarHBondContact O-OG 3Å; R998-S1000 VanDerWaalsContact C-N 3.3Å; R998-S1000 PolarHBondContact O-N 3.12Å; S1000-K1004 PolarHBondContact O-N 3.03Å |
| 1001 | L | 81.9 | Confident | 80 | Confident | 98 Ų | 98 | 108.7 Ų | 108.7 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.9 | -43.5 | -179.7 | -175.5 | 64.6 | 0 | 0 | 0 | 111.8 | E997 R998 K1003 K1004 L1005 | E997-L1001 PolarHBondContact O-N 3.49Å; R998-L1001 PolarHBondContact O-N 3.03Å; L1001-K1003 PolarHBondContact O-N 2.68Å; L1001-K1004 PolarHBondContact O-N 3.12Å; L1001-L1005 HydrophobicContact CG-CD1 4.32Å; L1001-L1005 WeakPolarHBondContact O-CG 3.39Å; L1001-L1005 PolarHBondContact O-N 3.08Å |
| 1002 | V | 81.1 | Confident | 79.8 | Confident | 91 Ų | 91 | 111.2 Ų | 111.2 | 55% | 0.552 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -58.3 | -38.5 | 174.6 | 168.6 | 0 | 0 | 0 | 0 | 110.8 | R998 L1005 V1006 | R998-V1002 WeakPolarHBondContact O-CG2 3.26Å; R998-V1002 PolarHBondContact O-N 2.96Å; V1002-L1005 PolarHBondContact O-N 2.7Å; V1002-V1006 HydrophobicContact CG1-CG2 4.49Å; V1002-V1006 WeakPolarHBondContact O-CG2 3.49Å; V1002-V1006 PolarHBondContact O-N 3.33Å; V1002-V1006 VanDerWaalsContact O-N 3.13Å |
| 1003 | K | 80.3 | Confident | 79.2 | Confident | 147 Ų | 147 | 110 Ų | 110 | 64% | 0.639 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.1 | -47.6 | 177.1 | -168.9 | 176.4 | -180 | -178.6 | 0 | 112.3 | E999 L1001 V1006 D1007 | E999-K1003 PolarHBondContact O-N 3.47Å; L1001-K1003 PolarHBondContact O-N 2.68Å; K1003-V1006 PolarHBondContact O-N 2.64Å; K1003-D1007 PolarHBondContact O-N 3.2Å |
| 1004 | K | 81.2 | Confident | 78.8 | Confident | 137 Ų | 137 | 109.9 Ų | 109.9 | 60% | 0.596 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -57.7 | -50.7 | 176.7 | -68.6 | 179.1 | 179.4 | 176.4 | 0 | 111.8 | S1000 L1001 V1006 D1007 D1008 | S1000-K1004 PolarHBondContact O-N 3.03Å; L1001-K1004 PolarHBondContact O-N 3.12Å; K1004-V1006 PolarHBondContact O-N 3.4Å; K1004-D1007 PolarHBondContact O-N 2.76Å; K1004-D1008 PolarHBondContact O-N 2.63Å |
| 1005 | L | 79.7 | Confident | 78.5 | Confident | 107 Ų | 107 | 110 Ų | 110 | 56% | 0.56 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.1 | -27.5 | -178 | -65.8 | 171.1 | 0 | 0 | 0 | 113.5 | L1001 V1002 K1009 | L1001-L1005 HydrophobicContact CG-CD1 4.32Å; L1001-L1005 WeakPolarHBondContact O-CG 3.39Å; L1001-L1005 PolarHBondContact O-N 3.08Å; V1002-L1005 PolarHBondContact O-N 2.7Å; L1005-K1009 WeakPolarHBondContact O-CB 3.21Å; L1005-K1009 PolarHBondContact O-N 3.05Å |
| 1006 | V | 78.2 | Confident | 77.7 | Confident | 76 Ų | 76 | 112.4 Ų | 112.4 | 46% | 0.461 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -73.8 | -34.6 | 174.2 | 167.1 | 0 | 0 | 0 | 0 | 112.2 | V1002 K1003 K1004 | V1002-V1006 HydrophobicContact CG1-CG2 4.49Å; V1002-V1006 WeakPolarHBondContact O-CG2 3.49Å; V1002-V1006 PolarHBondContact O-N 3.33Å; V1002-V1006 VanDerWaalsContact O-N 3.13Å; K1003-V1006 PolarHBondContact O-N 2.64Å; K1004-V1006 PolarHBondContact O-N 3.4Å |
| 1007 | D | 78.6 | Confident | 77.1 | Confident | 78 Ų | 78 | 112.2 Ų | 112.2 | 42% | 0.417 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -79.4 | -39.1 | 177.8 | -69.9 | -35.3 | 0 | 0 | 0 | 111.5 | K1003 K1004 K1009 K1010 F1011 | K1003-D1007 PolarHBondContact O-N 3.2Å; K1004-D1007 PolarHBondContact O-N 2.76Å; D1007-K1009 VanDerWaalsContact C-N 3.29Å; D1007-K1009 PolarHBondContact O-N 3.11Å; D1007-K1010 WeakPolarHBondContact O-CB 3.23Å; D1007-K1010 PolarHBondContact O-N 3.04Å; D1007-K1010 VanDerWaalsContact O-N 3.1Å; D1007-K1010 IonicContact OD1-NZ 3.68Å; D1007-K1010 PolarHBondContact OD1-NZ 2.79Å; D1007-F1011 PolarHBondContact O-N 3.01Å |
| 1008 | D | 78.1 | Confident | 76.3 | Confident | 83 Ų | 83 | 112.5 Ų | 112.5 | 44% | 0.444 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -57.5 | -41.6 | 171.4 | -65.7 | -33 | 0 | 0 | 0 | 111.6 | K1004 K1010 F1011 Y1012 | K1004-D1008 PolarHBondContact O-N 2.63Å; D1008-K1010 VanDerWaalsContact C-N 3.31Å; D1008-K1010 PolarHBondContact O-N 3.28Å; D1008-F1011 WeakPolarHBondContact O-CB 3.4Å; D1008-F1011 PolarHBondContact O-N 3.07Å; D1008-Y1012 VanDerWaalsContact O-CD2 3.26Å; D1008-Y1012 WeakPolarHBondContact O-CD2 3.39Å; D1008-Y1012 PolarHBondContact O-N 3.48Å |
| 1009 | K | 75.6 | Confident | 75.5 | Confident | 131 Ų | 131 | 113.4 Ų | 113.4 | 57% | 0.57 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -56.9 | -42.4 | 175.2 | 178.4 | -174.7 | 171.6 | -175.1 | 0 | 112.2 | L1005 D1007 F1011 Q1013 | L1005-K1009 WeakPolarHBondContact O-CB 3.21Å; L1005-K1009 PolarHBondContact O-N 3.05Å; D1007-K1009 VanDerWaalsContact C-N 3.29Å; D1007-K1009 PolarHBondContact O-N 3.11Å; K1009-F1011 VanDerWaalsContact C-N 3.32Å; K1009-F1011 PolarHBondContact O-N 3.01Å; K1009-Q1013 VanDerWaalsContact CE-OE1 3.23Å; K1009-Q1013 WeakPolarHBondContact O-CG 3.34Å; K1009-Q1013 PolarHBondContact O-N 3.32Å |
| 1010 | K | 73.6 | Confident | 74.1 | Confident | 127 Ų | 127 | 113 Ų | 113 | 55% | 0.552 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.8 | -37.5 | 179.4 | -73.1 | 172 | -176.5 | 157.8 | 0 | 111.8 | D1007 D1008 L1014 | D1007-K1010 WeakPolarHBondContact O-CB 3.23Å; D1007-K1010 PolarHBondContact O-N 3.04Å; D1007-K1010 VanDerWaalsContact O-N 3.1Å; D1007-K1010 IonicContact OD1-NZ 3.68Å; D1007-K1010 PolarHBondContact OD1-NZ 2.79Å; D1008-K1010 VanDerWaalsContact C-N 3.31Å; D1008-K1010 PolarHBondContact O-N 3.28Å; K1010-L1014 PolarHBondContact O-N 3.03Å |
| 1011 | F | 76.6 | Confident | 73.2 | Confident | 134 Ų | 134 | 115 Ų | 115 | 59% | 0.588 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.8 | -55.9 | -179.8 | -177 | -93.9 | 0 | 0 | 0 | 111.2 | D1007 D1008 K1009 Q1013 L1014 E1015 | D1007-F1011 PolarHBondContact O-N 3.01Å; D1008-F1011 WeakPolarHBondContact O-CB 3.4Å; D1008-F1011 PolarHBondContact O-N 3.07Å; K1009-F1011 VanDerWaalsContact C-N 3.32Å; K1009-F1011 PolarHBondContact O-N 3.01Å; F1011-Q1013 VanDerWaalsContact C-N 3.32Å; F1011-Q1013 PolarHBondContact O-N 3.42Å; F1011-L1014 PolarHBondContact O-N 3.02Å; F1011-L1014 VanDerWaalsContact O-N 3.12Å; F1011-E1015 PolarHBondContact O-N 2.85Å |
| 1012 | Y | 75 | Confident | 71.8 | Confident | 146 Ų | 146 | 117.2 Ų | 117.2 | 57% | 0.573 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.1 | -31.3 | -177.7 | -65.6 | -63.1 | 0 | 0 | 0 | 113.8 | D1008 L1014 E1015 L1016 | D1008-Y1012 VanDerWaalsContact O-CD2 3.26Å; D1008-Y1012 WeakPolarHBondContact O-CD2 3.39Å; D1008-Y1012 PolarHBondContact O-N 3.48Å; Y1012-L1014 VanDerWaalsContact C-N 3.28Å; Y1012-L1014 PolarHBondContact O-N 3.07Å; Y1012-E1015 PolarHBondContact O-N 3.14Å; Y1012-L1016 PolarHBondContact O-N 3.48Å |
| 1013 | Q | 69.8 | Low | 70.4 | Confident | 115 Ų | 115 | 119.7 Ų | 119.7 | 54% | 0.537 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.2 | -26.6 | 175.3 | -71.7 | -167.2 | -72.2 | 0 | 0 | 113.1 | K1009 F1011 V1017 | K1009-Q1013 VanDerWaalsContact CE-OE1 3.23Å; K1009-Q1013 WeakPolarHBondContact O-CG 3.34Å; K1009-Q1013 PolarHBondContact O-N 3.32Å; F1011-Q1013 VanDerWaalsContact C-N 3.32Å; F1011-Q1013 PolarHBondContact O-N 3.42Å; Q1013-V1017 WeakPolarHBondContact O-CG2 2.97Å |
| 1014 | L | 73.4 | Confident | 69 | Low | 129 Ų | 129 | 117.6 Ų | 117.6 | 68% | 0.675 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -78.5 | -36.4 | 174 | -112.2 | 69 | 0 | 0 | 0 | 112.9 | K1010 F1011 Y1012 N1018 | K1010-L1014 PolarHBondContact O-N 3.03Å; F1011-L1014 PolarHBondContact O-N 3.02Å; F1011-L1014 VanDerWaalsContact O-N 3.12Å; Y1012-L1014 VanDerWaalsContact C-N 3.28Å; Y1012-L1014 PolarHBondContact O-N 3.07Å; L1014-N1018 PolarHBondContact O-N 3.09Å |
| 1015 | E | 76.1 | Confident | 67.6 | Low | 81 Ų | 81 | 120.9 Ų | 120.9 | 38% | 0.379 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -72.5 | -36.4 | -177 | -160.5 | -173 | 166.9 | 0 | 0 | 112.6 | F1011 Y1012 N1018 R1019 | F1011-E1015 PolarHBondContact O-N 2.85Å; Y1012-E1015 PolarHBondContact O-N 3.14Å; E1015-N1018 PolarHBondContact O-N 2.97Å; E1015-R1019 PolarHBondContact O-N 3.18Å; E1015-R1019 IonicContact OE1-CZ 2.72Å; E1015-R1019 IonicContact OE1-NH1 3.79Å; E1015-R1019 PolarHBondContact OE1-NH1 3.23Å; E1015-R1019 IonicContact OE1-NH2 3.18Å |
| 1016 | L | 67.9 | Low | 66 | Low | 125 Ų | 125 | 120.4 Ų | 120.4 | 65% | 0.654 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.1 | -47.9 | 178.6 | -89.7 | 155.8 | 0 | 0 | 0 | 112.5 | Y1012 N1018 R1019 E1020 | Y1012-L1016 PolarHBondContact O-N 3.48Å; L1016-N1018 PolarHBondContact O-N 3.28Å; L1016-R1019 PolarHBondContact O-N 3.48Å; L1016-E1020 PolarHBondContact O-N 3.38Å; L1016-E1020 VanDerWaalsContact O-N 3.09Å |
| 1017 | V | 68.2 | Low | 64.8 | Low | 81 Ų | 81 | 123.5 Ų | 123.5 | 49% | 0.491 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.9 | -30.9 | -179.7 | 176.4 | 0 | 0 | 0 | 0 | 111.9 | Q1013 R1019 E1020 | Q1013-V1017 WeakPolarHBondContact O-CG2 2.97Å; V1017-R1019 VanDerWaalsContact C-N 3.32Å; V1017-R1019 PolarHBondContact O-N 3.15Å; V1017-E1020 WeakPolarHBondContact O-CB 3.44Å; V1017-E1020 PolarHBondContact O-N 2.99Å |
| 1018 | N | 66 | Low | 63.6 | Low | 130 Ų | 130 | 126.3 Ų | 126.3 | 70% | 0.695 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.6 | -20.4 | 173.7 | -90.8 | -29.1 | 0 | 0 | 0 | 114.1 | L1014 E1015 L1016 | L1014-N1018 PolarHBondContact O-N 3.09Å; E1015-N1018 PolarHBondContact O-N 2.97Å; L1016-N1018 PolarHBondContact O-N 3.28Å |
| 1019 | R | 64.2 | Low | 62.6 | Low | 168 Ų | 168 | 127.3 Ų | 127.3 | 63% | 0.634 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -88.4 | -27.1 | 171.1 | -77.7 | -171.9 | 169.2 | 88.2 | -6.7 | 113 | E1015 L1016 V1017 T1021 | E1015-R1019 PolarHBondContact O-N 3.18Å; E1015-R1019 IonicContact OE1-CZ 2.72Å; E1015-R1019 IonicContact OE1-NH1 3.79Å; E1015-R1019 PolarHBondContact OE1-NH1 3.23Å; E1015-R1019 IonicContact OE1-NH2 3.18Å; L1016-R1019 PolarHBondContact O-N 3.48Å; V1017-R1019 VanDerWaalsContact C-N 3.32Å; V1017-R1019 PolarHBondContact O-N 3.15Å; R1019-T1021 PolarHBondContact O-N 3.35Å |
| 1020 | E | 52 | Low | 61.2 | Low | 122 Ų | 122 | 126.8 Ų | 126.8 | 57% | 0.57 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -58.7 | -26.8 | -177.4 | -165.4 | 169.7 | -172.8 | 0 | 0 | 113.9 | L1016 V1017 N1024 | L1016-E1020 PolarHBondContact O-N 3.38Å; L1016-E1020 VanDerWaalsContact O-N 3.09Å; V1017-E1020 WeakPolarHBondContact O-CB 3.44Å; V1017-E1020 PolarHBondContact O-N 2.99Å; E1020-N1024 PolarHBondContact O-ND2 2.91Å |
| 1021 | T | 59.7 | Low | 60.5 | Low | 110 Ų | 110 | 126.7 Ų | 126.7 | 68% | 0.675 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -13.8 | -170.4 | 51.6 | 0 | 0 | 0 | 0 | 116.3 | R1019 | R1019-T1021 PolarHBondContact O-N 3.35Š|
| 1022 | N | 53.2 | Low | 58.8 | Low | 143 Ų | 143 | 127.7 Ų | 127.7 | 77% | 0.765 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | -31.8 | -167.2 | -131.2 | -24.1 | 0 | 0 | 0 | 115.4 | ||
| 1023 | F | 51.7 | Low | 57.4 | Low | 143 Ų | 143 | 127.6 Ų | 127.6 | 63% | 0.627 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -87.2 | -10.8 | 178.5 | -154.3 | -100.8 | 0 | 0 | 0 | 113.9 | K1025 V1026 | F1023-K1025 PolarHBondContact O-N 2.93Å; F1023-V1026 HydrophobicContact CE1-CB 4.25Å; F1023-V1026 HydrophobicContact CZ-CB 4.43Å; F1023-V1026 PolarHBondContact O-N 2.67Å |
| 1024 | N | 50.9 | Low | 56.2 | Low | 103 Ų | 103 | 125.5 Ų | 125.5 | 55% | 0.551 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 22.6 | 178.2 | -95.1 | -50.9 | 0 | 0 | 0 | 115 | E1020 | E1020-N1024 PolarHBondContact O-ND2 2.91Š|
| 1025 | K | 50.7 | Low | 54.9 | Low | 206 Ų | 206 | 126.4 Ų | 126.4 | 90% | 0.896 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | 6.1 | 161 | -77.7 | -175.1 | 175.1 | 177.3 | 0 | 113.3 | F1023 | F1023-K1025 PolarHBondContact O-N 2.93Š|
| 1026 | V | 45.8 | Very low | 53.1 | Low | 97 Ų | 97 | 130.4 Ų | 130.4 | 59% | 0.588 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.6 | -38.4 | 176.9 | -159.8 | 0 | 0 | 0 | 0 | 114.5 | F1023 | F1023-V1026 HydrophobicContact CE1-CB 4.25Å; F1023-V1026 HydrophobicContact CZ-CB 4.43Å; F1023-V1026 PolarHBondContact O-N 2.67Å |
| 1027 | F | 53.4 | Low | 51.7 | Low | 141 Ų | 141 | 129.6 Ų | 129.6 | 62% | 0.618 | 72% | 0.72 | S | S | * | * | trans | -156.3 | 132.4 | -178.4 | -86.4 | -78.2 | 0 | 0 | 0 | 117.7 | ||||
| 1028 | N | 53.1 | Low | 50.6 | Low | 138 Ų | 138 | 131.6 Ų | 131.6 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | trans | 47.8 | 136.5 | 139.5 | -66.7 | -4.4 | 0 | 0 | 0 | 128.5 | ||||
| 1029 | A | 57.3 | Low | 49.6 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 85% | 0.851 | 74% | 0.735 | S | S | * | * | trans | 86.9 | 147 | 135.8 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 1030 | S | 46.9 | Very low | 48.3 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | trans | -166.1 | 170.8 | 176.7 | 56.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1031 | P | 57.6 | Low | 47.7 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -137.8 | -165.2 | -161.3 | 45.9 | -28.8 | 0 | 0 | 0 | 119 | ||||
| 1032 | N | 42.5 | Very low | 46.6 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | trans | 147.5 | 153.4 | 134.8 | -163.5 | 28.4 | 0 | 0 | 0 | 119.9 | ||||
| 1033 | V | 44.7 | Very low | 45.8 | Very low | 143 Ų | 143 | 136 Ų | 136 | 87% | 0.867 | 75% | 0.747 | S | S | * | * | trans | -159 | 159.5 | 175.7 | -160.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1034 | G | 43.8 | Very low | 44.9 | Very low | 72 Ų | 72 | 137.4 Ų | 137.4 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | -178.2 | 167.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1035 | V | 46.6 | Very low | 44 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | -156.5 | 143.4 | -176.7 | -175.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1036 | I | 39.2 | Very low | 43 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | trans | -174.4 | 168.5 | 163.9 | -115.2 | 169.4 | 0 | 0 | 0 | 110.7 | ||||
| 1037 | N | 37.8 | Very low | 42.3 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 58% | 0.578 | 76% | 0.762 | S | S | * | * | cis | -157.8 | 165.8 | 18.2 | -155.5 | 6.2 | 0 | 0 | 0 | 112.4 | ||||
| 1038 | P | 45.7 | Very low | 41.5 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | -153.3 | 163.2 | 114.8 | 38.2 | -19.6 | 0 | 0 | 0 | 118.3 | |||||
| 1039 | L | 44 | Very low | 40.6 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | trans | -152 | 174.3 | -167.3 | -63.9 | 173.4 | 0 | 0 | 0 | 116 | ||||
| 1040 | I | 36.7 | Very low | 39.4 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 61% | 0.61 | 77% | 0.766 | S | S | * | * | cis | -172.7 | 139.3 | -48.9 | -150.2 | 173.7 | 0 | 0 | 0 | 114.3 | ||||
| 1041 | K | 39.7 | Very low | 38.5 | Very low | 180 Ų | 180 | 137.6 Ų | 137.6 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | 61 | 174.2 | 166.4 | -65.3 | 151.5 | -172.2 | 177.4 | 0 | 117.3 | ||||
| 1042 | Q | 37.9 | Very low | 37.3 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 73% | 0.729 | 76% | 0.762 | S | S | * | * | cis | -125.9 | -147.3 | 1.8 | -60.7 | 175.4 | 18.8 | 0 | 0 | 109.7 | ||||
| 1043 | K | 35.8 | Very low | 36.8 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | cis | -166.1 | -172.6 | -5.5 | -134.5 | -178.9 | -177.5 | 109.2 | 0 | 106.2 | ||||
| 1044 | K | 33.4 | Very low | 35.9 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | cis | -168.3 | 123.8 | -4.9 | 172.5 | -164.4 | 176.8 | -171.8 | 0 | 110.5 | ||||
| 1045 | K | 32.1 | Very low | 35.4 | Very low | 196 Ų | 196 | 142.6 Ų | 142.6 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | trans | 57.4 | 142.8 | 171.4 | -77.2 | -161.9 | 173.5 | -165.7 | 0 | 119 | ||||
| 1046 | S | 28.5 | Very low | 35 | Very low | 95 Ų | 95 | 139.7 Ų | 139.7 | 66% | 0.664 | 74% | 0.744 | S | S | * | * | cis | -165.2 | 120.7 | -19.3 | 46.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1047 | E | 31.8 | Very low | 35.4 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 72% | 0.715 | 73% | 0.726 | S | S | * | * | trans | 50.3 | 116.9 | 140.6 | -56.3 | -159.4 | 111.9 | 0 | 0 | 121.2 | ||||
| 1048 | K | 35.8 | Very low | 35.5 | Very low | 181 Ų | 181 | 131.9 Ų | 131.9 | 79% | 0.787 | 71% | 0.708 | S | S | * | * | 89.5 | 155.2 | 74.4 | -78.6 | 176.7 | -173.8 | 164.7 | 0 | 113.1 | |||||
| 1049 | A | 33.7 | Very low | 35.3 | Very low | 91 Ų | 91 | 130.2 Ų | 130.2 | 75% | 0.752 | 69% | 0.692 | S | S | * | * | cis | -176.8 | 155.3 | -33.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1050 | A | 32.3 | Very low | 35 | Very low | 93 Ų | 93 | 134 Ų | 134 | 77% | 0.769 | 70% | 0.697 | S | S | * | * | trans | 73.3 | 109 | 151 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1051 | S | 29.4 | Very low | 35.1 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 72% | 0.72 | 70% | 0.701 | S | S | * | * | 81.4 | 135.7 | 111 | -148.6 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1052 | R | 31.7 | Very low | 35 | Very low | 222 Ų | 222 | 130.4 Ų | 130.4 | 84% | 0.838 | 70% | 0.698 | S | S | * | * | trans | 76.2 | 116.6 | 157.8 | -71.8 | 172 | -176.4 | -168.3 | 0.2 | 121.5 | ||||
| 1053 | L | 31.6 | Very low | 35 | Very low | 165 Ų | 165 | 131.2 Ų | 131.2 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | 34.5 | 105.6 | 126.3 | -60.6 | 169.2 | 0 | 0 | 0 | 119 | |||||
| 1054 | S | 27 | Very low | 35.1 | Very low | 117 Ų | 117 | 127 Ų | 127 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | 175.7 | -178.7 | 119.9 | 53 | 0 | 0 | 0 | 0 | 113 | |||||
| 1055 | S | 33.4 | Very low | 35 | Very low | 98 Ų | 98 | 124 Ų | 124 | 69% | 0.685 | 71% | 0.708 | S | S | * | * | trans | -43.9 | 125.8 | -174 | 46.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 1056 | S | 36.6 | Very low | 34.9 | Very low | 87 Ų | 87 | 117.8 Ų | 117.8 | 61% | 0.608 | 70% | 0.699 | S | S | * | * | 81 | 178.2 | 120.6 | -40.8 | 0 | 0 | 0 | 0 | 119.3 | Q965 | Q965-S1056 PolarHBondContact NE2-O 3.1Š| |||
| 1057 | P | 48 | Very low | 35.1 | Very low | 70 Ų | 70 | 122.4 Ų | 122.4 | 46% | 0.455 | 72% | 0.715 | S | S | . | * | -117.5 | -148.4 | -113.7 | 0.8 | 26.6 | 0 | 0 | 0 | 120.6 | K958 I961 Q965 | K958-P1057 HydrophobicContact CG-CB 4.38Å; I961-P1057 VanDerWaalsContact CG2-C 3.44Å; I961-P1057 WeakPolarHBondContact CG2-O 3.35Å; Q965-P1057 PolarHBondContact NE2-O 2.85Å; Q965-P1057 PolarHBondContact OE1-O 3.37Å | |||
| 1058 | N | 39.9 | Very low | 34.9 | Very low | 39 Ų | 39 | 118.3 Ų | 118.3 | 21% | 0.209 | 71% | 0.714 | C | S | . | * | trans | 94.9 | 150.7 | 159.5 | -141.3 | 22.5 | 0 | 0 | 0 | 126.8 | K958 D959 I961 | K958-N1058 HydrophobicContact CB-CB 3.63Å; K958-N1058 WeakPolarHBondContact CB-ND2 3.26Å; K958-N1058 WeakPolarHBondContact CB-OD1 3.48Å; K958-N1058 HydrophobicContact CD-CB 4.39Å; K958-N1058 WeakPolarHBondContact CD-OD1 3.24Å; K958-N1058 WeakPolarHBondContact CE-OD1 3.47Å; K958-N1058 HydrophobicContact CG-CB 3.46Å; K958-N1058 VanDerWaalsContact CG-CB 3.46Å; K958-N1058 WeakPolarHBondContact CG-OD1 3.44Å; K958-N1058 WeakPolarHBondContact O-CB 3.31Å; K958-N1058 PolarHBondContact O-ND2 3.21Å; D959-N1058 PolarHBondContact N-ND2 3.49Å; D959-N1058 PolarHBondContact OD1-ND2 3.15Å; D959-N1058 VanDerWaalsContact OD1-ND2 3.17Å; I961-N1058 HydrophobicContact CG2-CB 4.12Å | ||
| 1059 | L | 42 | Very low | 34.8 | Very low | 88 Ų | 88 | 118.8 Ų | 118.8 | 46% | 0.461 | 72% | 0.724 | S | S | . | * | trans | 76.2 | 149.4 | 163.2 | -66.6 | -169.3 | 0 | 0 | 0 | 118.1 | D959 | D959-L1059 WeakPolarHBondContact OD1-CD2 3.36Š| ||
| 1060 | R | 38.1 | Very low | 34.7 | Very low | 214 Ų | 214 | 117.9 Ų | 117.9 | 81% | 0.808 | 72% | 0.724 | S | S | * | * | cis | -158.7 | 147.3 | 8.5 | -139.9 | 179.2 | -168.5 | 176.5 | 3 | 113.3 | ||||
| 1061 | A | 37.9 | Very low | 34.9 | Very low | 85 Ų | 85 | 120.3 Ų | 120.3 | 70% | 0.702 | 73% | 0.729 | S | S | * | * | trans | 48.6 | -179.9 | 142.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1062 | L | 38.7 | Very low | 35.3 | Very low | 139 Ų | 139 | 122.3 Ų | 122.3 | 73% | 0.728 | 74% | 0.736 | S | S | * | * | cis | -161.5 | 166 | 6.6 | -160.9 | 66.7 | 0 | 0 | 0 | 112.3 | ||||
| 1063 | E | 38.3 | Very low | 35.3 | Very low | 173 Ų | 173 | 114.2 Ų | 114.2 | 81% | 0.808 | 72% | 0.722 | S | S | * | * | trans | 67 | 157.2 | 154 | -88 | 162.1 | -159 | 0 | 0 | 121.3 | ||||
| 1064 | A | 36.1 | Very low | 35.4 | Very low | 86 Ų | 86 | 113.7 Ų | 113.7 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | cis | -164.3 | 161.5 | -7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1065 | A | 32.1 | Very low | 35.6 | Very low | 110 Ų | 110 | 111.8 Ų | 111.8 | 91% | 0.909 | 73% | 0.725 | S | S | * | * | trans | 61.9 | 160.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1066 | G | 29.6 | Very low | 36 | Very low | 65 Ų | 65 | 114.2 Ų | 114.2 | 67% | 0.67 | 74% | 0.735 | S | S | * | * | cis | 164.7 | 143.9 | -12.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1067 | L | 32.8 | Very low | 35.8 | Very low | 192 Ų | 192 | 113.3 Ų | 113.3 | 100% | 1.005 | 74% | 0.74 | S | S | * | * | trans | 66 | 161.8 | 178.6 | -56.4 | 167.2 | 0 | 0 | 0 | 116.4 | ||||
| 1068 | G | 29 | Very low | 35.1 | Very low | 66 Ų | 66 | 119.6 Ų | 119.6 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | cis | 162.1 | 110.7 | -14.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1069 | L | 32.7 | Very low | 34.9 | Very low | 191 Ų | 191 | 122.4 Ų | 122.4 | 100% | 1 | 78% | 0.782 | S | S | * | * | trans | 63.9 | 138.3 | 169.6 | -96.7 | 72.9 | 0 | 0 | 0 | 120.8 | ||||
| 1070 | G | 31.3 | Very low | 35.6 | Very low | 73 Ų | 73 | 123.1 Ų | 123.1 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | 128.2 | 89.2 | 146.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1071 | V | 37.3 | Very low | 35.3 | Very low | 143 Ų | 143 | 119.4 Ų | 119.4 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | 5.9 | 131.9 | 133.7 | 173.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1072 | V | 38.1 | Very low | 35.1 | Very low | 145 Ų | 145 | 117.9 Ų | 117.9 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | cis | -169.7 | 170 | -1.4 | 106.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1073 | G | 30.7 | Very low | 35.3 | Very low | 52 Ų | 52 | 113.4 Ų | 113.4 | 54% | 0.536 | 75% | 0.746 | S | S | . | * | cis | 173.9 | 164.9 | -3.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1074 | T | 34.8 | Very low | 36.6 | Very low | 155 Ų | 155 | 109.3 Ų | 109.3 | 95% | 0.951 | 73% | 0.734 | S | S | * | * | trans | 51.3 | 121.3 | 167.5 | 58.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1075 | G | 31.1 | Very low | 38 | Very low | 77 Ų | 77 | 108.1 Ų | 108.1 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | cis | 175.5 | 134.1 | -6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1076 | T | 40.7 | Very low | 39.2 | Very low | 148 Ų | 148 | 108.6 Ų | 108.6 | 91% | 0.908 | 71% | 0.713 | S | S | * | * | trans | -131.6 | 178.3 | -172.5 | 53.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1077 | G | 33.3 | Very low | 39.6 | Very low | 68 Ų | 68 | 113.4 Ų | 113.4 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | cis | 137.1 | 116.6 | -3.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1078 | Q | 32.9 | Very low | 40.6 | Very low | 202 Ų | 202 | 109.5 Ų | 109.5 | 94% | 0.944 | 71% | 0.709 | S | S | * | * | trans | 67.7 | 161.7 | 165.9 | -69.4 | -175 | -11.3 | 0 | 0 | 122 | ||||
| 1079 | T | 35 | Very low | 40.7 | Very low | 98 Ų | 98 | 111.6 Ų | 111.6 | 60% | 0.601 | 71% | 0.713 | S | S | * | * | trans | -92.2 | -171.2 | -166 | 52.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1080 | P | 56.3 | Low | 40.8 | Very low | 103 Ų | 103 | 113.2 Ų | 113.2 | 67% | 0.669 | 71% | 0.706 | S | S | * | * | cis | -140 | -163 | -16.1 | 28.1 | -1.9 | 0 | 0 | 0 | 116.4 | ||||
| 1081 | Q | 33.2 | Very low | 40.8 | Very low | 137 Ų | 137 | 117.3 Ų | 117.3 | 64% | 0.64 | 71% | 0.71 | S | S | * | * | trans | 92.4 | 147.9 | 162.9 | -63.9 | -157.1 | -20.4 | 0 | 0 | 119.3 | ||||
| 1082 | T | 33.4 | Very low | 41.2 | Very low | 53 Ų | 53 | 118 Ų | 118 | 33% | 0.325 | 70% | 0.704 | S | S | . | * | cis | -155.5 | -179.3 | -21.3 | 23.6 | 0 | 0 | 0 | 0 | 106.8 | T943 L947 | T943-T1082 CarbonylContact C-O 3.46Å; T943-T1082 VanDerWaalsContact C-O 3.32Å; T943-T1082 VanDerWaalsContact CG2-C 3.41Å; T943-T1082 WeakPolarHBondContact CG2-O 3.44Å; L947-T1082 WeakPolarHBondContact CA-O 3.3Å; L947-T1082 WeakPolarHBondContact CB-O 3.18Å; L947-T1082 WeakPolarHBondContact CD1-OG1 3.14Å; L947-T1082 WeakPolarHBondContact CG-O 3.48Å; L947-T1082 PolarHBondContact N-O 2.87Å | ||
| 1083 | S | 42.1 | Very low | 41.9 | Very low | 44 Ų | 44 | 115.9 Ų | 115.9 | 31% | 0.308 | 69% | 0.692 | S | S | . | * | cis | -171.2 | 152.7 | -13.2 | 45.7 | 0 | 0 | 0 | 0 | 111 | M946 | M946-S1083 CarbonylContact C-O 3.44Å; M946-S1083 WeakPolarHBondContact CB-O 3.35Å | ||
| 1084 | P | 66.3 | Low | 42.2 | Very low | 88 Ų | 88 | 120.1 Ų | 120.1 | 57% | 0.571 | 70% | 0.701 | S | S | * | * | trans | -82.6 | 156.6 | -164.5 | 34.1 | -41.1 | 0 | 0 | 0 | 119.7 | M946 | M946-P1084 HydrophobicContact CE-CB 3.53Å; M946-P1084 HydrophobicContact SD-CB 4.29Å | ||
| 1085 | P | 65.8 | Low | 43.1 | Very low | 61 Ų | 61 | 118.1 Ų | 118.1 | 40% | 0.396 | 69% | 0.691 | S | S | . | * | -151.8 | -153 | 92.3 | 41.2 | -19.9 | 0 | 0 | 0 | 113.5 | |||||
| 1086 | P | 56.8 | Low | 43.2 | Very low | 119 Ų | 119 | 122 Ų | 122 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | cis | -134.2 | -138 | -7.5 | 44.1 | -21.7 | 0 | 0 | 0 | 116.4 | ||||
| 1087 | L | 37.5 | Very low | 44.4 | Very low | 166 Ų | 166 | 119.9 Ų | 119.9 | 87% | 0.869 | 68% | 0.682 | S | S | * | * | trans | -153.2 | -170.4 | -169.6 | -83.4 | 169.7 | 0 | 0 | 0 | 111.4 | ||||
| 1088 | P | 53.6 | Low | 45.5 | Very low | 111 Ų | 111 | 122.1 Ų | 122.1 | 72% | 0.721 | 68% | 0.684 | S | S | * | * | cis | -151.9 | 179.4 | 11.8 | 47.8 | -26.3 | 0 | 0 | 0 | 122 | ||||
| 1089 | S | 32.8 | Very low | 45.7 | Very low | 110 Ų | 110 | 119.4 Ų | 119.4 | 77% | 0.769 | 68% | 0.676 | S | S | * | * | trans | 67 | 110.9 | 139.3 | -67.6 | 0 | 0 | 0 | 0 | 129.8 | ||||
| 1090 | R | 33.8 | Very low | 45.7 | Very low | 225 Ų | 225 | 121.4 Ų | 121.4 | 85% | 0.849 | 68% | 0.678 | S | S | * | * | 66.3 | 121.8 | 110 | -157.2 | -160.4 | -169.6 | -176 | 4.4 | 125.3 | |||||
| 1091 | L | 31.7 | Very low | 44.6 | Very low | 159 Ų | 159 | 123.3 Ų | 123.3 | 83% | 0.832 | 68% | 0.678 | S | S | * | * | 167.2 | 174 | 122.4 | -89.4 | 175.8 | 0 | 0 | 0 | 116.6 | |||||
| 1092 | E | 45.2 | Very low | 44.8 | Very low | 158 Ų | 158 | 123.5 Ų | 123.5 | 74% | 0.738 | 68% | 0.682 | S | S | * | * | trans | -113.1 | -153.9 | -164.3 | -133.8 | -157.7 | -71.1 | 0 | 0 | 113.1 | ||||
| 1093 | P | 52.5 | Low | 44.9 | Very low | 99 Ų | 99 | 128.4 Ų | 128.4 | 64% | 0.643 | 70% | 0.701 | S | S | * | * | cis | -146.9 | 167.3 | 7.8 | 47 | -27.4 | 0 | 0 | 0 | 121.3 | ||||
| 1094 | I | 38.7 | Very low | 44.4 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 73% | 0.728 | 73% | 0.725 | S | S | * | * | trans | 55.6 | 168.8 | 135 | -66.8 | 171.9 | 0 | 0 | 0 | 121 | ||||
| 1095 | P | 52.2 | Low | 42.7 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | cis | -133.3 | 143.5 | -14.9 | 30 | -7.3 | 0 | 0 | 0 | 120.5 | ||||
| 1096 | N | 32.7 | Very low | 41.4 | Very low | 160 Ų | 160 | 138.2 Ų | 138.2 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | 59.5 | 172.5 | 119.1 | -108.1 | 10.4 | 0 | 0 | 0 | 127 | |||||
| 1097 | P | 66.3 | Low | 40.5 | Very low | 103 Ų | 103 | 140 Ų | 140 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | trans | -132.4 | -162.9 | -130.7 | 42.6 | -19.3 | 0 | 0 | 0 | 117 | ||||
| 1098 | P | 56.5 | Low | 40.8 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | -162.2 | 148.8 | 104.9 | 38.8 | -17.2 | 0 | 0 | 0 | 122.6 | |||||
| 1099 | L | 36.7 | Very low | 40.9 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | trans | 62.6 | 174.9 | 147.2 | -57.9 | 177.2 | 0 | 0 | 0 | 120.6 | ||||
| 1100 | H | 35.5 | Very low | 41.1 | Very low | 139 Ų | 139 | 144 Ų | 144 | 64% | 0.644 | 76% | 0.755 | S | S | * | * | cis | -168.4 | -177.5 | -6.8 | -114.8 | -14.2 | 0 | 0 | 0 | 108.8 | ||||
| 1101 | H | 34.3 | Very low | 41.5 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 67% | 0.667 | 75% | 0.748 | S | S | * | * | cis | -172.8 | 153.1 | -46.5 | -111.5 | -147.3 | 0 | 0 | 0 | 114.4 | ||||
| 1102 | L | 37.4 | Very low | 43.2 | Very low | 140 Ų | 140 | 135.5 Ų | 135.5 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | trans | 63.7 | 160.5 | 154.6 | -62.3 | 167.2 | 0 | 0 | 0 | 122.1 | ||||
| 1103 | E | 33.8 | Very low | 43.9 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | cis | -172.5 | 172.7 | -38.1 | -148.3 | 176 | -122.8 | 0 | 0 | 113.4 | ||||
| 1104 | L | 31.5 | Very low | 43.6 | Very low | 155 Ų | 155 | 135 Ų | 135 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | trans | 84 | -177.6 | 158.6 | -64.7 | 170.1 | 0 | 0 | 0 | 122.6 | ||||
| 1105 | N | 31.7 | Very low | 45 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | -146.1 | 160.8 | -127.8 | -160.1 | -1.6 | 0 | 0 | 0 | 118 | |||||
| 1106 | S | 37.5 | Very low | 45.6 | Very low | 94 Ų | 94 | 133.7 Ų | 133.7 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | trans | 86.7 | 125 | 151.9 | 74.2 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 1107 | N | 39.6 | Very low | 45.9 | Very low | 156 Ų | 156 | 132.3 Ų | 132.3 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | trans | 46.1 | 124.1 | 137.6 | -61.9 | -25 | 0 | 0 | 0 | 128 | ||||
| 1108 | K | 43.8 | Very low | 44.5 | Very low | 206 Ų | 206 | 133.8 Ų | 133.8 | 90% | 0.896 | 75% | 0.749 | S | S | * | * | trans | 13.3 | 165.8 | 133.1 | -96 | -179.2 | -179.7 | 178.2 | 0 | 123.2 | ||||
| 1109 | P | 55.5 | Low | 44.3 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | cis | -147.5 | 172.5 | 8.8 | 41.2 | -19.4 | 0 | 0 | 0 | 121.7 | ||||
| 1110 | L | 35.8 | Very low | 44.4 | Very low | 160 Ų | 160 | 134.3 Ų | 134.3 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | trans | 61.6 | 118.9 | 139.7 | -75.7 | 166.7 | 0 | 0 | 0 | 128.4 | ||||
| 1111 | A | 41.9 | Very low | 44.4 | Very low | 85 Ų | 85 | 136.3 Ų | 136.3 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | 55.1 | 166.4 | 124.7 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 1112 | P | 68.7 | Low | 44.4 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | cis | -118.9 | -144.3 | 0.8 | 42.4 | -24.5 | 0 | 0 | 0 | 111.9 | ||||
| 1113 | P | 60.6 | Low | 44.1 | Very low | 115 Ų | 115 | 138 Ų | 138 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | cis | -134.9 | -160.7 | -12 | 42.2 | -21.4 | 0 | 0 | 0 | 116 | ||||
| 1114 | T | 45.2 | Very low | 44.3 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -147.4 | -169.7 | 171.9 | 63 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1115 | P | 68.4 | Low | 45.5 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | cis | -124.3 | -138.3 | 4 | 45.1 | -24.6 | 0 | 0 | 0 | 111.1 | ||||
| 1116 | P | 64.4 | Low | 46.7 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | cis | -118.5 | -148.2 | -14.8 | 25.2 | 2.8 | 0 | 0 | 0 | 112.3 | ||||
| 1117 | T | 38.2 | Very low | 46.7 | Very low | 130 Ų | 130 | 135 Ų | 135 | 80% | 0.798 | 75% | 0.753 | S | S | * | * | cis | -155.6 | -147.2 | 15.3 | -31.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1118 | E | 37.8 | Very low | 46.8 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 63% | 0.626 | 75% | 0.749 | S | S | * | * | trans | -157.3 | -179.2 | -166.4 | -112.9 | -154.3 | -140.4 | 0 | 0 | 111 | K1120 | E1118-K1120 VanDerWaalsContact CD-NZ 3.34Å; E1118-K1120 IonicContact OE1-NZ 2.67Å; E1118-K1120 PolarHBondContact OE1-NZ 3.44Å; E1118-K1120 VanDerWaalsContact OE1-NZ 3.17Å; E1118-K1120 WeakPolarHBondContact OE2-CE 3.37Å; E1118-K1120 IonicContact OE2-NZ 3.65Å; E1118-K1120 PolarHBondContact OE2-NZ 2.96Å | ||
| 1119 | P | 51.4 | Low | 46.6 | Very low | 107 Ų | 107 | 132 Ų | 132 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | cis | -142.9 | 153.7 | 12.7 | 40.8 | -20.1 | 0 | 0 | 0 | 120.8 | ||||
| 1120 | K | 40 | Very low | 45.9 | Very low | 164 Ų | 164 | 132.5 Ų | 132.5 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | trans | 45.1 | 127.2 | 134.3 | -66.3 | 167.5 | 177.4 | 114.8 | 0 | 126.8 | E1118 | E1118-K1120 VanDerWaalsContact CD-NZ 3.34Å; E1118-K1120 IonicContact OE1-NZ 2.67Å; E1118-K1120 PolarHBondContact OE1-NZ 3.44Å; E1118-K1120 VanDerWaalsContact OE1-NZ 3.17Å; E1118-K1120 WeakPolarHBondContact OE2-CE 3.37Å; E1118-K1120 IonicContact OE2-NZ 3.65Å; E1118-K1120 PolarHBondContact OE2-NZ 2.96Å | ||
| 1121 | K | 35.8 | Very low | 46 | Very low | 182 Ų | 182 | 129.3 Ų | 129.3 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | trans | 97.2 | 123.9 | 130.6 | -85.7 | -164.1 | 173.1 | -171.6 | 0 | 125.2 | ||||
| 1122 | F | 32.7 | Very low | 47.2 | Very low | 169 Ų | 169 | 130.2 Ų | 130.2 | 74% | 0.741 | 73% | 0.729 | S | S | * | * | trans | 91.9 | 124.5 | 134 | -96.8 | -125.6 | 0 | 0 | 0 | 125.3 | ||||
| 1123 | M | 31.2 | Very low | 45.7 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 74% | 0.744 | 73% | 0.729 | S | S | * | * | trans | 71.4 | 110.4 | 145.7 | -65.6 | -87.3 | 83.8 | 0 | 0 | 125.1 | ||||
| 1124 | S | 38 | Very low | 44.7 | Very low | 95 Ų | 95 | 132.5 Ų | 132.5 | 66% | 0.664 | 73% | 0.727 | S | S | * | * | trans | 79.5 | -177.9 | 130.7 | -44 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1125 | P | 58.3 | Low | 45.6 | Very low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 73% | 0.726 | S | S | * | * | -129 | -156.3 | -109.3 | 43 | -21.7 | 0 | 0 | 0 | 113.1 | |||||
| 1126 | P | 55.9 | Low | 44.2 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 71% | 0.708 | 73% | 0.726 | S | S | * | * | cis | -133.6 | -156.8 | -11.2 | 38.3 | -15.4 | 0 | 0 | 0 | 115.1 | ||||
| 1127 | E | 36.7 | Very low | 43 | Very low | 169 Ų | 169 | 133 Ų | 133 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | 87.8 | 96.5 | 153.7 | -76.4 | -179.7 | -173.3 | 0 | 0 | 124.9 | ||||
| 1128 | T | 41.8 | Very low | 43.2 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 76% | 0.761 | 73% | 0.725 | S | S | * | * | 36.3 | 136.1 | 124.3 | 54 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 1129 | K | 39.7 | Very low | 43.4 | Very low | 174 Ų | 174 | 131.9 Ų | 131.9 | 76% | 0.757 | 73% | 0.731 | S | S | * | * | 173.2 | 168.1 | 126.6 | -96.9 | -175.7 | 156.7 | -70.3 | 0 | 109 | |||||
| 1130 | D | 41.6 | Very low | 43.1 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 63% | 0.631 | 73% | 0.733 | S | S | * | * | cis | -163.5 | -177.3 | -5.5 | -110.7 | -8.3 | 0 | 0 | 0 | 105.3 | ||||
| 1131 | S | 38.4 | Very low | 43 | Very low | 94 Ų | 94 | 133.8 Ų | 133.8 | 66% | 0.657 | 73% | 0.725 | S | S | * | * | cis | -179.2 | -175.8 | -6.8 | -97.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1132 | P | 65.9 | Low | 43.2 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | cis | -134.2 | 149.3 | -25 | 33.5 | -13.8 | 0 | 0 | 0 | 117.1 | ||||
| 1133 | I | 37.1 | Very low | 43.5 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | trans | 64.9 | 135.4 | 131.2 | -64.2 | 171.8 | 0 | 0 | 0 | 119.7 | ||||
| 1134 | D | 40.4 | Very low | 43.7 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | cis | -167 | 167.6 | -11 | -106.4 | -12.7 | 0 | 0 | 0 | 108.7 | ||||
| 1135 | P | 64.2 | Low | 43.8 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | cis | -115.3 | -131.9 | -10.7 | 21.9 | 3.9 | 0 | 0 | 0 | 109.1 | ||||
| 1136 | A | 38.3 | Very low | 42.9 | Very low | 88 Ų | 88 | 134.1 Ų | 134.1 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | cis | -161.3 | 179.9 | 3.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1137 | D | 39.7 | Very low | 42.4 | Very low | 162 Ų | 162 | 138 Ų | 138 | 87% | 0.866 | 71% | 0.712 | S | S | * | * | trans | -75.5 | 154.7 | -179.4 | -70.3 | -50 | 0 | 0 | 0 | 114.8 | ||||
| 1138 | A | 43.1 | Very low | 42.2 | Very low | 80 Ų | 80 | 138.7 Ų | 138.7 | 66% | 0.661 | 71% | 0.713 | S | S | * | * | cis | -173.7 | -162.2 | -18 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1139 | Q | 42.1 | Very low | 41.7 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | cis | -160.3 | 103.6 | 3.8 | -171.4 | 175.7 | -44.3 | 0 | 0 | 112.7 | ||||
| 1140 | R | 43.5 | Very low | 41.4 | Very low | 197 Ų | 197 | 143.3 Ų | 143.3 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | trans | 64.4 | 166.8 | 153.9 | -63.4 | 174.6 | 175.3 | -87.3 | -4 | 117 | ||||
| 1141 | Q | 39.4 | Very low | 41.4 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 54% | 0.537 | 74% | 0.741 | S | S | . | * | cis | -172.1 | 161.8 | -22.2 | -98.4 | 177.8 | -64.4 | 0 | 0 | 106 | ||||
| 1142 | E | 39.4 | Very low | 41.6 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | cis | -161.1 | 136.2 | -15.8 | -117.8 | 160.4 | -155 | 0 | 0 | 107.4 | ||||
| 1143 | W | 38.4 | Very low | 40.2 | Very low | 208 Ų | 208 | 149.7 Ų | 149.7 | 79% | 0.788 | 75% | 0.75 | S | S | * | * | 73.5 | 113.5 | 102.9 | -84.8 | 53.8 | 0 | 0 | 0 | 118.6 | |||||
| 1144 | F | 36 | Very low | 40.4 | Very low | 151 Ų | 151 | 149.8 Ų | 149.8 | 66% | 0.662 | 75% | 0.749 | S | S | * | * | 82.4 | 149.6 | 102 | -93.2 | -102.2 | 0 | 0 | 0 | 114.2 | |||||
| 1145 | A | 40.1 | Very low | 40.4 | Very low | 71 Ų | 71 | 150.7 Ų | 150.7 | 59% | 0.587 | 75% | 0.751 | S | S | * | * | cis | -148.3 | 160.6 | 6.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1146 | Q | 39.3 | Very low | 38.8 | Very low | 149 Ų | 149 | 152.8 Ų | 152.8 | 70% | 0.696 | 75% | 0.749 | S | S | * | * | 52.7 | 144.8 | 93.4 | -59.2 | -175 | -22.9 | 0 | 0 | 116.8 | |||||
| 1147 | Y | 46.3 | Very low | 38.9 | Very low | 190 Ų | 190 | 157.4 Ų | 157.4 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | cis | -161.7 | 160 | -5.3 | -127.9 | -65.9 | 0 | 0 | 0 | 108.3 | ||||
| 1148 | F | 32.4 | Very low | 38.8 | Very low | 185 Ų | 185 | 157.1 Ų | 157.1 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | trans | 67.5 | 126.4 | 169.4 | -86.3 | -86.8 | 0 | 0 | 0 | 119.8 | ||||
| 1149 | S | 31.3 | Very low | 38.4 | Very low | 104 Ų | 104 | 163.5 Ų | 163.5 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | 35.7 | 130.7 | 154.8 | 61.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1150 | F | 33.2 | Very low | 38.1 | Very low | 291 Ų | 291 | 163.9 Ų | 163.9 | 100% | 1.276 | 75% | 0.749 | S | S | * | * | cis | -67.3 | 0 | 7.3 | -105.3 | -111.1 | 0 | 0 | 0 | 114.4 |
Retrieved 1,150 of 1,150 residues in 2810.4 ms
(Link to these results)