| 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 | 39.8 | Very low | 36.2 | Very low | 252 Ų | 252 | 142.5 Ų | 142.5 | 100% | 1.241 | 83% | 0.834 | S | S | * | * | 0 | 103 | 0 | -70.1 | -176.9 | 177.6 | 0 | 0 | 106.9 | |||||
| 2 | A | 39.4 | Very low | 35.8 | Very low | 82 Ų | 82 | 145.1 Ų | 145.1 | 68% | 0.678 | 84% | 0.841 | S | S | * | * | trans | -127.5 | 117.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 3 | F | 38 | Very low | 35.4 | Very low | 220 Ų | 220 | 142.2 Ų | 142.2 | 97% | 0.965 | 83% | 0.834 | S | S | * | * | trans | -167.7 | 133.9 | 163 | -64.8 | -70.1 | 0 | 0 | 0 | 104.9 | ||||
| 4 | G | 35 | Very low | 34.9 | Very low | 74 Ų | 74 | 144 Ų | 144 | 76% | 0.763 | 84% | 0.836 | S | S | * | * | cis | -170.6 | 145.9 | 1.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 5 | L | 37.3 | Very low | 34.6 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 89% | 0.89 | 84% | 0.837 | S | S | * | * | trans | -61.4 | 132.3 | 165.9 | -72.1 | 154.9 | 0 | 0 | 0 | 109 | ||||
| 6 | A | 34.3 | Very low | 34.6 | Very low | 100 Ų | 100 | 148.8 Ų | 148.8 | 83% | 0.826 | 84% | 0.838 | S | S | * | * | trans | -103.3 | 89.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 7 | T | 33.1 | Very low | 34.3 | Very low | 121 Ų | 121 | 148.9 Ų | 148.9 | 74% | 0.742 | 84% | 0.836 | S | S | * | * | trans | -86.4 | 125.5 | 158.4 | -51.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 8 | I | 34.5 | Very low | 34.2 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | trans | -130.5 | 127.4 | 162.2 | -60.4 | -179.4 | 0 | 0 | 0 | 107.7 | ||||
| 9 | P | 43.1 | Very low | 34.9 | Very low | 103 Ų | 103 | 144.7 Ų | 144.7 | 67% | 0.669 | 83% | 0.828 | S | S | * | * | trans | -96 | 161.6 | -179.7 | 38.9 | -33 | 0 | 0 | 0 | 112.3 | ||||
| 10 | E | 31.5 | Very low | 35 | Very low | 178 Ų | 178 | 143.2 Ų | 143.2 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | trans | 153.9 | 92.1 | 146.9 | -94.3 | -176.1 | 141.8 | 0 | 0 | 107.3 | ||||
| 11 | S | 32.3 | Very low | 35.5 | Very low | 109 Ų | 109 | 144.4 Ų | 144.4 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | 47.7 | 82 | 84.5 | 73.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 12 | L | 31.5 | Very low | 35.5 | Very low | 174 Ų | 174 | 138.4 Ų | 138.4 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -94 | 102.5 | 152.3 | -79.7 | 168.1 | 0 | 0 | 0 | 107.9 | ||||
| 13 | S | 30.2 | Very low | 36 | Very low | 107 Ų | 107 | 145.8 Ų | 145.8 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | -62.3 | 125.5 | 165.2 | 49.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 14 | I | 28.5 | Very low | 36.5 | Very low | 168 Ų | 168 | 145 Ų | 145 | 86% | 0.862 | 81% | 0.811 | S | S | * | * | trans | -128.4 | 112.8 | 150.7 | -63.2 | 179.8 | 0 | 0 | 0 | 105.5 | ||||
| 15 | E | 30.2 | Very low | 37 | Very low | 182 Ų | 182 | 147.3 Ų | 147.3 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -54.9 | 149.2 | 174.1 | -77.2 | 177.8 | 139.9 | 0 | 0 | 111.6 | ||||
| 16 | E | 34.5 | Very low | 37.5 | Very low | 183 Ų | 183 | 147.7 Ų | 147.7 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | -48.1 | 143.4 | 168.2 | -60.2 | 176.3 | 131.1 | 0 | 0 | 111.4 | ||||
| 17 | D | 29.4 | Very low | 38.3 | Very low | 151 Ų | 151 | 147.4 Ų | 147.4 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | -161.8 | 133.2 | 118.7 | -122.6 | -22.6 | 0 | 0 | 0 | 115.7 | |||||
| 18 | S | 33.8 | Very low | 39.2 | Very low | 101 Ų | 101 | 148.1 Ų | 148.1 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | 69.9 | 124.3 | 146.8 | 78.3 | 0 | 0 | 0 | 0 | 120.9 | S20 | S18-S20 PolarHBondContact O-N 2.75Š| ||
| 19 | S | 46 | Very low | 39.8 | Very low | 116 Ų | 116 | 150.6 Ų | 150.6 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -48 | 117.4 | 173.6 | 61.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 20 | S | 38 | Very low | 40.3 | Very low | 115 Ų | 115 | 151.3 Ų | 151.3 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -97.1 | 101.7 | 158.4 | 68 | 0 | 0 | 0 | 0 | 109.2 | S18 | S18-S20 PolarHBondContact O-N 2.75Š| ||
| 21 | Q | 44.9 | Very low | 41.2 | Very low | 169 Ų | 169 | 150.3 Ų | 150.3 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -48 | 146 | 168.8 | -69.7 | -179.7 | -36 | 0 | 0 | 110.9 | R23 | Q21-R23 PolarHBondContact O-N 3.33Š| ||
| 22 | P | 40.2 | Very low | 41.5 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -60.9 | 114.7 | 174.4 | 24.1 | -31.3 | 0 | 0 | 0 | 109.4 | K24 | P22-K24 PolarHBondContact O-N 3.17Š| ||
| 23 | R | 50.2 | Low | 42 | Very low | 238 Ų | 238 | 145.8 Ų | 145.8 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | trans | -59.5 | 111 | 175.8 | -71.1 | -179.8 | 178.1 | -177.8 | -0 | 108.5 | Q21 T25 | Q21-R23 PolarHBondContact O-N 3.33Å; R23-T25 PolarHBondContact O-N 3.32Å | ||
| 24 | K | 49.1 | Very low | 42.4 | Very low | 203 Ų | 203 | 149.6 Ų | 149.6 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -61.3 | 105 | 173.7 | -77.7 | 179.1 | 177 | 174.6 | 0 | 109 | P22 F26 | P22-K24 PolarHBondContact O-N 3.17Å; K24-F26 PolarHBondContact O-N 2.87Å | ||
| 25 | T | 44.2 | Very low | 42.8 | Very low | 122 Ų | 122 | 149.5 Ų | 149.5 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -72.3 | 112.3 | 168 | 50.2 | 0 | 0 | 0 | 0 | 108.1 | R23 V27 | R23-T25 PolarHBondContact O-N 3.32Å; T25-V27 PolarHBondContact O-N 3.02Å | ||
| 26 | F | 48.3 | Very low | 43.2 | Very low | 178 Ų | 178 | 149 Ų | 149 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | -78.2 | 111.7 | 173.9 | -172.9 | -103.4 | 0 | 0 | 0 | 108.9 | K24 K28 | K24-F26 PolarHBondContact O-N 2.87Å; F26-K28 HydrophobicContact CD1-CB 4.18Å; F26-K28 HydrophobicContact CE1-CB 3.85Å; F26-K28 HydrophobicContact CE1-CD 4.49Å; F26-K28 HydrophobicContact CE1-CG 4.06Å | ||
| 27 | V | 50.3 | Low | 43.7 | Very low | 94 Ų | 94 | 145 Ų | 145 | 57% | 0.57 | 77% | 0.771 | S | S | * | * | trans | -90.6 | 108.7 | 173.6 | 178.8 | 0 | 0 | 0 | 0 | 107.3 | T25 W29 | T25-V27 PolarHBondContact O-N 3.02Å; V27-W29 HydrophobicContact CG1-CD2 4.47Å; V27-W29 HydrophobicContact CG1-CZ2 4.21Å | ||
| 28 | K | 52.9 | Low | 44.3 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 60% | 0.596 | 77% | 0.774 | S | S | * | * | trans | -94.5 | 114.1 | 173.4 | -161.7 | -174.7 | 177.4 | -137.8 | 0 | 108.9 | F26 D30 | F26-K28 HydrophobicContact CD1-CB 4.18Å; F26-K28 HydrophobicContact CE1-CB 3.85Å; F26-K28 HydrophobicContact CE1-CD 4.49Å; F26-K28 HydrophobicContact CE1-CG 4.06Å; K28-D30 WeakPolarHBondContact CD-OD1 2.9Å; K28-D30 WeakPolarHBondContact CE-OD1 3.42Å; K28-D30 IonicContact NZ-OD1 2.8Å; K28-D30 PolarHBondContact NZ-OD1 2.98Å; K28-D30 IonicContact NZ-OD2 2.84Å; K28-D30 PolarHBondContact NZ-OD2 3.07Å; K28-D30 PolarHBondContact O-N 3.32Å | ||
| 29 | W | 46.7 | Very low | 44.3 | Very low | 209 Ų | 209 | 144.6 Ų | 144.6 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | -84.4 | 91.4 | 168.6 | -63.8 | 103.1 | 0 | 0 | 0 | 108.4 | V27 L31 | V27-W29 HydrophobicContact CG1-CD2 4.47Å; V27-W29 HydrophobicContact CG1-CZ2 4.21Å; W29-L31 HydrophobicContact CB-CD1 4.46Å; W29-L31 PolarHBondContact O-N 3.31Å | ||
| 30 | D | 53.1 | Low | 44 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 63% | 0.631 | 78% | 0.779 | S | S | * | * | trans | -79.4 | 73.6 | 167.6 | -75.3 | -21.4 | 0 | 0 | 0 | 108.8 | K28 G32 | K28-D30 WeakPolarHBondContact CD-OD1 2.9Å; K28-D30 WeakPolarHBondContact CE-OD1 3.42Å; K28-D30 IonicContact NZ-OD1 2.8Å; K28-D30 PolarHBondContact NZ-OD1 2.98Å; K28-D30 IonicContact NZ-OD2 2.84Å; K28-D30 PolarHBondContact NZ-OD2 3.07Å; K28-D30 PolarHBondContact O-N 3.32Å; D30-G32 PolarHBondContact O-N 2.98Å | ||
| 31 | L | 51.8 | Low | 43.7 | Very low | 157 Ų | 157 | 150.1 Ų | 150.1 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -79.4 | 66 | 161.6 | -75.6 | 157.1 | 0 | 0 | 0 | 108 | W29 S33 | W29-L31 HydrophobicContact CB-CD1 4.46Å; W29-L31 PolarHBondContact O-N 3.31Å; L31-S33 PolarHBondContact O-N 3.28Å | ||
| 32 | G | 37.7 | Very low | 43.1 | Very low | 74 Ų | 74 | 148.7 Ų | 148.7 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | trans | -66.8 | 113.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | D30 | D30-G32 PolarHBondContact O-N 2.98Š| ||
| 33 | S | 42.1 | Very low | 42.8 | Very low | 114 Ų | 114 | 148.8 Ų | 148.8 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -60.9 | 133.8 | -178.9 | 53.3 | 0 | 0 | 0 | 0 | 115.2 | L31 | L31-S33 PolarHBondContact O-N 3.28Š| ||
| 34 | K | 39.1 | Very low | 42 | Very low | 188 Ų | 188 | 144 Ų | 144 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | -159.2 | 89.3 | 127.3 | -142.1 | 179.4 | -173.8 | -176.1 | 0 | 109.8 | |||||
| 35 | L | 37 | Very low | 42 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | -132.4 | 74.2 | 158.7 | -151.2 | 89.6 | 0 | 0 | 0 | 107.1 | S37 | L35-S37 PolarHBondContact O-N 3.36Š| ||
| 36 | E | 38.7 | Very low | 41.4 | Very low | 172 Ų | 172 | 137.9 Ų | 137.9 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -65.9 | 118.6 | 157.8 | -87.5 | -174 | 153.4 | 0 | 0 | 107.8 | ||||
| 37 | S | 43.8 | Very low | 41.1 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | trans | 130.4 | 131.2 | 147.8 | 68.7 | 0 | 0 | 0 | 0 | 112.7 | L35 | L35-S37 PolarHBondContact O-N 3.36Š| ||
| 38 | V | 43 | Very low | 40.7 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 87% | 0.873 | 78% | 0.782 | S | S | * | * | trans | 84.1 | 75.3 | 170.5 | -159.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 39 | A | 34.2 | Very low | 39.8 | Very low | 100 Ų | 100 | 140.4 Ų | 140.4 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | -168.4 | 107.9 | 122.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 40 | K | 38.1 | Very low | 39.7 | Very low | 184 Ų | 184 | 141.9 Ų | 141.9 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | -66.2 | 146.8 | 168 | -70 | -178.3 | 174 | -174.6 | 0 | 109.9 | ||||
| 41 | E | 33.3 | Very low | 38.9 | Very low | 163 Ų | 163 | 147.3 Ų | 147.3 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | 57.9 | 117.6 | 145.1 | -66.7 | 157.7 | -159.2 | 0 | 0 | 116.2 | ||||
| 42 | T | 30.8 | Very low | 38.1 | Very low | 139 Ų | 139 | 148.1 Ų | 148.1 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | -160.1 | 130.5 | 81.7 | -54.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 43 | T | 34.8 | Very low | 38.2 | Very low | 127 Ų | 127 | 156 Ų | 156 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | trans | -80.4 | 138.6 | -179.2 | -23.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 44 | T | 32.9 | Very low | 38.2 | Very low | 137 Ų | 137 | 157 Ų | 157 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -152.2 | 132.6 | 149.1 | -24.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 45 | P | 48.8 | Very low | 37.9 | Very low | 125 Ų | 125 | 155 Ų | 155 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -106.5 | 151.7 | -166.4 | 37.8 | -31 | 0 | 0 | 0 | 115.4 | ||||
| 46 | G | 31.4 | Very low | 38.1 | Very low | 73 Ų | 73 | 152.2 Ų | 152.2 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | 121.9 | 158.8 | 147.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 47 | P | 42.3 | Very low | 38.9 | Very low | 120 Ų | 120 | 149.5 Ų | 149.5 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | cis | -126.5 | 173.5 | -31 | 37.4 | -21.3 | 0 | 0 | 0 | 113.2 | ||||
| 48 | D | 43.4 | Very low | 38.7 | Very low | 144 Ų | 144 | 150.2 Ų | 150.2 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -54.6 | 138.9 | -176.2 | -60.7 | -68.9 | 0 | 0 | 0 | 116.7 | ||||
| 49 | F | 33 | Very low | 38.9 | Very low | 198 Ų | 198 | 151 Ų | 151 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | trans | -116.1 | 83.5 | 146.1 | -77.4 | -78.9 | 0 | 0 | 0 | 109 | R51 | F49-R51 PolarHBondContact O-N 2.84Š| ||
| 50 | R | 44 | Very low | 39.4 | Very low | 240 Ų | 240 | 153.2 Ų | 153.2 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | -58.1 | 119.2 | 154.1 | -88.7 | -98 | -154.5 | 167.1 | 5.9 | 107.8 | ||||
| 51 | R | 37.7 | Very low | 39.5 | Very low | 232 Ų | 232 | 147.4 Ų | 147.4 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | trans | -127.4 | 128.4 | 155.5 | -145 | 179 | -83.1 | -129.1 | 3.1 | 108.1 | F49 | F49-R51 PolarHBondContact O-N 2.84Š| ||
| 52 | E | 34.7 | Very low | 40.4 | Very low | 173 Ų | 173 | 149 Ų | 149 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | trans | -55.6 | 142.9 | -167.9 | -82.3 | 157.9 | 124.8 | 0 | 0 | 113.8 | ||||
| 53 | R | 39.3 | Very low | 41.2 | Very low | 240 Ų | 240 | 152.6 Ų | 152.6 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | -83.6 | 110.6 | 168.9 | -161.1 | -175.5 | -154.8 | -179.8 | 5.1 | 106.5 | ||||
| 54 | I | 42.1 | Very low | 42.5 | Very low | 134 Ų | 134 | 153.2 Ų | 153.2 | 69% | 0.687 | 80% | 0.802 | S | S | * | * | trans | -104.4 | 113.8 | 168.3 | -66.9 | 176.1 | 0 | 0 | 0 | 106.8 | ||||
| 55 | D | 33.3 | Very low | 43.8 | Very low | 148 Ų | 148 | 153 Ų | 153 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | 63.2 | 124 | 150.1 | -50 | -22.8 | 0 | 0 | 0 | 120.3 | ||||
| 56 | S | 41.2 | Very low | 44.3 | Very low | 105 Ų | 105 | 152.4 Ų | 152.4 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -102.4 | 175.1 | 162.5 | -30 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 57 | P | 54.4 | Low | 46.2 | Very low | 115 Ų | 115 | 156.2 Ų | 156.2 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | cis | -121.1 | -175.8 | -49.6 | 33.8 | -15.6 | 0 | 0 | 0 | 110.1 | ||||
| 58 | P | 40.1 | Very low | 47.4 | Very low | 113 Ų | 113 | 156.6 Ų | 156.6 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | -135.2 | 140.6 | 110.9 | 35.9 | -25.7 | 0 | 0 | 0 | 113.5 | L60 | P58-L60 PolarHBondContact O-N 2.8Š| |||
| 59 | D | 47.1 | Very low | 48.6 | Very low | 161 Ų | 161 | 156 Ų | 156 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | trans | -58 | 110.1 | 166.4 | -158.3 | 12.9 | 0 | 0 | 0 | 109.5 | ||||
| 60 | L | 44.6 | Very low | 50.2 | Low | 146 Ų | 146 | 155.6 Ų | 155.6 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -159.3 | 97.1 | 174.5 | -107.2 | 138.8 | 0 | 0 | 0 | 111.2 | P58 | P58-L60 PolarHBondContact O-N 2.8Š| ||
| 61 | G | 40.1 | Very low | 51.6 | Low | 62 Ų | 62 | 152 Ų | 152 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | trans | 83 | 125.6 | 153 | 0 | 0 | 0 | 0 | 0 | 115.7 | R63 | G61-R63 VanDerWaalsContact C-N 3.29Å; G61-R63 PolarHBondContact O-N 3.37Å | ||
| 62 | E | 52.6 | Low | 53.3 | Low | 196 Ų | 196 | 152.3 Ų | 152.3 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | trans | -52.4 | 88.9 | 166.2 | -78 | 171.1 | 133 | 0 | 0 | 111 | V64 | E62-V64 PolarHBondContact O-N 3.31Å; E62-V64 VanDerWaalsContact O-N 3.17Å | ||
| 63 | R | 48.2 | Very low | 54.9 | Low | 216 Ų | 216 | 149.7 Ų | 149.7 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | trans | -78.6 | 94.7 | 165.2 | -68.6 | -175.2 | -173.3 | -101.8 | 2.5 | 107 | G61 L65 | G61-R63 VanDerWaalsContact C-N 3.29Å; G61-R63 PolarHBondContact O-N 3.37Å; R63-L65 VanDerWaalsContact C-N 3.29Å; R63-L65 PolarHBondContact O-N 3.34Å | ||
| 64 | V | 62.1 | Low | 56.3 | Low | 139 Ų | 139 | 148.7 Ų | 148.7 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | -63.9 | 93.1 | 168.5 | -179 | 0 | 0 | 0 | 0 | 108.1 | E62 | E62-V64 PolarHBondContact O-N 3.31Å; E62-V64 VanDerWaalsContact O-N 3.17Å | ||
| 65 | L | 59.7 | Low | 57.3 | Low | 134 Ų | 134 | 147.7 Ų | 147.7 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | trans | -74.5 | 133.6 | 168.9 | -82.5 | 146 | 0 | 0 | 0 | 108.3 | R63 Q67 | R63-L65 VanDerWaalsContact C-N 3.29Å; R63-L65 PolarHBondContact O-N 3.34Å; L65-Q67 PolarHBondContact O-N 2.95Å | ||
| 66 | P | 60 | Low | 58.7 | Low | 112 Ų | 112 | 145.4 Ų | 145.4 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -66.1 | 107.3 | 176.2 | 26.7 | -32.6 | 0 | 0 | 0 | 109.3 | I68 | P66-I68 PolarHBondContact O-N 3.04Š| ||
| 67 | Q | 70.4 | Confident | 59.9 | Low | 152 Ų | 152 | 146 Ų | 146 | 71% | 0.71 | 77% | 0.765 | S | S | * | * | trans | -80.3 | 104.9 | 175.4 | -166.2 | 171.3 | 5 | 0 | 0 | 108.9 | L65 H69 | L65-Q67 PolarHBondContact O-N 2.95Å; Q67-H69 WeakPolarHBondContact CG-NE2 3.44Å; Q67-H69 PolarHBondContact NE2-CE1 3.31Å; Q67-H69 VanDerWaalsContact NE2-CE1 3.34Å; Q67-H69 PolarHBondContact O-N 3.27Å | ||
| 68 | I | 66.8 | Low | 60.3 | Low | 128 Ų | 128 | 144.9 Ų | 144.9 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | trans | -81.5 | 109.7 | 176.5 | -58.7 | 173.4 | 0 | 0 | 0 | 108 | P66 F70 | P66-I68 PolarHBondContact O-N 3.04Å; I68-F70 HydrophobicContact CG2-CD2 4.19Å; I68-F70 HydrophobicContact CG2-CE2 3.72Å; I68-F70 HydrophobicContact CG2-CZ 3.94Å | ||
| 69 | H | 68.4 | Low | 61.1 | Low | 133 Ų | 133 | 146.9 Ų | 146.9 | 62% | 0.616 | 76% | 0.759 | S | S | * | * | trans | -94.5 | 114.8 | 172.5 | -65.4 | -77.9 | 0 | 0 | 0 | 110.1 | Q67 | Q67-H69 WeakPolarHBondContact CG-NE2 3.44Å; Q67-H69 PolarHBondContact NE2-CE1 3.31Å; Q67-H69 VanDerWaalsContact NE2-CE1 3.34Å; Q67-H69 PolarHBondContact O-N 3.27Å | ||
| 70 | F | 67 | Low | 61.5 | Low | 188 Ų | 188 | 147.9 Ų | 147.9 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 119.5 | 168.9 | -70.6 | -82.7 | 0 | 0 | 0 | 109.5 | I68 | I68-F70 HydrophobicContact CG2-CD2 4.19Å; I68-F70 HydrophobicContact CG2-CE2 3.72Å; I68-F70 HydrophobicContact CG2-CZ 3.94Å |
| 71 | L | 74 | Confident | 62.1 | Low | 164 Ų | 164 | 143.9 Ų | 143.9 | 86% | 0.859 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 136.8 | 174.4 | -64 | 176.7 | 0 | 0 | 0 | 110.1 | ||
| 72 | R | 73.4 | Confident | 62.9 | Low | 239 Ų | 239 | 147.5 Ų | 147.5 | 90% | 0.902 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 127.7 | 172.7 | -176.6 | 177.9 | -179.7 | 178.5 | 1.1 | 109.3 | R74 | R72-R74 PolarHBondContact O-N 3.27Š|
| 73 | P | 67.3 | Low | 63.1 | Low | 118 Ų | 118 | 142.5 Ų | 142.5 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 132.2 | 178.5 | 19.7 | -28.8 | 0 | 0 | 0 | 110.7 | ||
| 74 | R | 69 | Low | 63.5 | Low | 220 Ų | 220 | 135 Ų | 135 | 83% | 0.83 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 141.5 | 179.7 | -167.6 | 176.2 | -172.7 | 179.6 | 1.8 | 110 | R72 | R72-R74 PolarHBondContact O-N 3.27Š|
| 75 | P | 62.7 | Low | 63.2 | Low | 113 Ų | 113 | 131.7 Ų | 131.7 | 73% | 0.734 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 148 | 177 | 24 | -34.2 | 0 | 0 | 0 | 111.4 | I77 | P75-I77 PolarHBondContact O-N 2.72Š|
| 76 | A | 64.2 | Low | 63.1 | Low | 99 Ų | 99 | 132.4 Ų | 132.4 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 125.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 77 | I | 65.1 | Low | 62.9 | Low | 119 Ų | 119 | 131 Ų | 131 | 61% | 0.61 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 129.9 | 173.8 | -61.7 | 171.1 | 0 | 0 | 0 | 107.7 | P75 M79 L81 | P75-I77 PolarHBondContact O-N 2.72Å; I77-M79 PolarHBondContact O-N 2.88Å; I77-L81 HydrophobicContact CG2-CD1 3.52Å |
| 78 | P | 62.7 | Low | 62.6 | Low | 90 Ų | 90 | 126 Ų | 126 | 58% | 0.584 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 135.1 | -173 | 21.1 | -31.1 | 0 | 0 | 0 | 112.3 | F80 L81 | P78-F80 PolarHBondContact O-N 3.14Å; P78-L81 PolarHBondContact O-N 3.34Å |
| 79 | M | 58.5 | Low | 62.6 | Low | 155 Ų | 155 | 123.9 Ų | 123.9 | 76% | 0.764 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -12.1 | -176 | -80.4 | -179 | -86.5 | 0 | 0 | 115.3 | I77 L81 F82 | I77-M79 PolarHBondContact O-N 2.88Å; M79-L81 PolarHBondContact O-N 3.41Å; M79-F82 HydrophobicContact CB-CD2 4.42Å; M79-F82 HydrophobicContact CG-CD2 4.46Å; M79-F82 HydrophobicContact CG-CE2 4.39Å; M79-F82 WeakPolarHBondContact O-CD2 3.42Å; M79-F82 PolarHBondContact O-N 3.27Å |
| 80 | F | 54.9 | Low | 62.5 | Low | 183 Ų | 183 | 120.4 Ų | 120.4 | 80% | 0.803 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -16.7 | 176.4 | -84.3 | -84.4 | 0 | 0 | 0 | 114.4 | P78 F82 | P78-F80 PolarHBondContact O-N 3.14Å; F80-F82 VanDerWaalsContact C-N 3.34Å |
| 81 | L | 57.1 | Low | 62.5 | Low | 62 Ų | 62 | 114.1 Ų | 114.1 | 33% | 0.325 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -76.1 | -19.3 | 177.2 | -62.7 | -178.8 | 0 | 0 | 0 | 113.3 | I77 P78 M79 S83 V84 L85 | I77-L81 HydrophobicContact CG2-CD1 3.52Å; P78-L81 PolarHBondContact O-N 3.34Å; M79-L81 PolarHBondContact O-N 3.41Å; L81-S83 PolarHBondContact O-N 2.97Å; L81-V84 PolarHBondContact O-N 3.13Å; L81-L85 HydrophobicContact CB-CD1 4.23Å; L81-L85 WeakPolarHBondContact O-CD1 3.47Å; L81-L85 PolarHBondContact O-N 3.38Å |
| 82 | F | 56.7 | Low | 62.2 | Low | 138 Ų | 138 | 107.4 Ų | 107.4 | 61% | 0.605 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.8 | -38.2 | -178.9 | -75.9 | -79.7 | 0 | 0 | 0 | 112.7 | M79 F80 V84 L85 N86 | M79-F82 HydrophobicContact CB-CD2 4.42Å; M79-F82 HydrophobicContact CG-CD2 4.46Å; M79-F82 HydrophobicContact CG-CE2 4.39Å; M79-F82 WeakPolarHBondContact O-CD2 3.42Å; M79-F82 PolarHBondContact O-N 3.27Å; F80-F82 VanDerWaalsContact C-N 3.34Å; F82-V84 VanDerWaalsContact C-N 3.31Å; F82-V84 PolarHBondContact O-N 3.26Å; F82-L85 PolarHBondContact O-N 3.46Å; F82-N86 PolarHBondContact O-N 2.61Å |
| 83 | S | 57.7 | Low | 62 | Low | 91 Ų | 91 | 101.2 Ų | 101.2 | 64% | 0.636 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.7 | -30 | 176 | -47.1 | 0 | 0 | 0 | 0 | 112.7 | L81 | L81-S83 PolarHBondContact O-N 2.97Å |
| 84 | V | 55.9 | Low | 62.2 | Low | 59 Ų | 59 | 103 Ų | 103 | 36% | 0.358 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -78.4 | -32 | 174.7 | 177.7 | 0 | 0 | 0 | 0 | 111.5 | L81 F82 N86 S87 | L81-V84 PolarHBondContact O-N 3.13Å; F82-V84 VanDerWaalsContact C-N 3.31Å; F82-V84 PolarHBondContact O-N 3.26Å; V84-N86 PolarHBondContact O-N 3.17Å; V84-S87 PolarHBondContact O-N 2.88Å; V84-S87 PolarHBondContact O-OG 3.25Å |
| 85 | L | 55.8 | Low | 62.3 | Low | 68 Ų | 68 | 96.7 Ų | 96.7 | 36% | 0.356 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.5 | -30 | 173.5 | -101.3 | 108.4 | 0 | 0 | 0 | 112.4 | L81 F82 S87 V92 L95 | L81-L85 HydrophobicContact CB-CD1 4.23Å; L81-L85 WeakPolarHBondContact O-CD1 3.47Å; L81-L85 PolarHBondContact O-N 3.38Å; F82-L85 PolarHBondContact O-N 3.46Å; L85-S87 VanDerWaalsContact C-N 3.32Å; L85-S87 PolarHBondContact O-N 2.99Å; L85-V92 HydrophobicContact CB-CG2 4.25Å; L85-V92 HydrophobicContact CD2-CG1 3.95Å; L85-V92 HydrophobicContact CD2-CG2 4.05Å; L85-V92 HydrophobicContact CG-CG2 3.96Å; L85-V92 VanDerWaalsContact O-CG2 3.25Å; L85-V92 WeakPolarHBondContact O-CG2 3.49Å; L85-L95 HydrophobicContact CD1-CD1 4.22Å |
| 86 | N | 57.3 | Low | 62.8 | Low | 149 Ų | 149 | 94.3 Ų | 94.3 | 80% | 0.797 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -8.9 | 177.4 | -77.4 | -29.8 | 0 | 0 | 0 | 114.3 | F82 V84 | F82-N86 PolarHBondContact O-N 2.61Å; V84-N86 PolarHBondContact O-N 3.17Å |
| 87 | S | 55.6 | Low | 63.5 | Low | 82 Ų | 82 | 93.8 Ų | 93.8 | 57% | 0.573 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -12.6 | -169.1 | 62.9 | 0 | 0 | 0 | 0 | 116.6 | V84 L85 | V84-S87 PolarHBondContact O-N 2.88Å; V84-S87 PolarHBondContact O-OG 3.25Å; L85-S87 VanDerWaalsContact C-N 3.32Å; L85-S87 PolarHBondContact O-N 2.99Å |
| 88 | S | 64.6 | Low | 64.3 | Low | 47 Ų | 47 | 96.5 Ų | 96.5 | 33% | 0.329 | 51% | 0.514 | S | S | . | . | trans | -172.8 | 136.3 | 163.6 | 55.1 | 0 | 0 | 0 | 0 | 112.3 | A90 N91 V92 | S88-A90 PolarHBondContact O-N 3.45Å; S88-A90 VanDerWaalsContact O-N 3.11Å; S88-N91 PolarHBondContact O-N 2.79Å; S88-V92 PolarHBondContact O-N 3.38Å | ||
| 89 | D | 66.6 | Low | 65.6 | Low | 84 Ų | 84 | 94.9 Ų | 94.9 | 45% | 0.449 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.2 | -29.2 | 174.8 | -175.4 | 40.1 | 0 | 0 | 0 | 112.2 | N91 V92 K93 | D89-N91 PolarHBondContact O-N 3.35Å; D89-V92 PolarHBondContact O-N 3.34Å; D89-K93 WeakPolarHBondContact O-CG 3.5Å; D89-K93 PolarHBondContact O-N 3.29Å; D89-K93 VanDerWaalsContact O-N 3.13Å; D89-K93 VanDerWaalsContact OD2-CE 3.23Å; D89-K93 WeakPolarHBondContact OD2-CE 3.42Å; D89-K93 IonicContact OD2-NZ 2.74Å; D89-K93 PolarHBondContact OD2-NZ 3.4Å |
| 90 | A | 66.9 | Low | 67 | Low | 60 Ų | 60 | 94.1 Ų | 94.1 | 50% | 0.496 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -34.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | S88 K94 | S88-A90 PolarHBondContact O-N 3.45Å; S88-A90 VanDerWaalsContact O-N 3.11Å; A90-K94 WeakPolarHBondContact O-CG 3.46Å |
| 91 | N | 66.8 | Low | 68.6 | Low | 56 Ų | 56 | 91 Ų | 91 | 30% | 0.299 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -79.6 | -33.9 | 176.9 | -85.5 | -10.6 | 0 | 0 | 0 | 112.1 | S88 D89 K93 K94 L95 | S88-N91 PolarHBondContact O-N 2.79Å; D89-N91 PolarHBondContact O-N 3.35Å; N91-K93 VanDerWaalsContact C-N 3.31Å; N91-K93 PolarHBondContact O-N 3.49Å; N91-K94 WeakPolarHBondContact O-CB 3.3Å; N91-K94 PolarHBondContact O-N 3.4Å; N91-K94 VanDerWaalsContact O-N 3.09Å; N91-L95 WeakPolarHBondContact O-CG 3.28Å; N91-L95 PolarHBondContact O-N 3.46Å |
| 92 | V | 67 | Low | 70 | Confident | 24 Ų | 24 | 89 Ų | 89 | 15% | 0.145 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -59.7 | -44 | 173.8 | -178.3 | 0 | 0 | 0 | 0 | 110.4 | L85 S88 D89 K94 L95 L96 | L85-V92 HydrophobicContact CB-CG2 4.25Å; L85-V92 HydrophobicContact CD2-CG1 3.95Å; L85-V92 HydrophobicContact CD2-CG2 4.05Å; L85-V92 HydrophobicContact CG-CG2 3.96Å; L85-V92 VanDerWaalsContact O-CG2 3.25Å; L85-V92 WeakPolarHBondContact O-CG2 3.49Å; S88-V92 PolarHBondContact O-N 3.38Å; D89-V92 PolarHBondContact O-N 3.34Å; V92-K94 PolarHBondContact O-N 2.95Å; V92-L95 PolarHBondContact O-N 3.11Å; V92-L95 VanDerWaalsContact O-N 3.11Å; V92-L96 HydrophobicContact CG1-CD1 3.52Å; V92-L96 HydrophobicContact CG1-CG 3.97Å; V92-L96 WeakPolarHBondContact O-CB 3.39Å; V92-L96 VanDerWaalsContact O-CG 3.27Å; V92-L96 WeakPolarHBondContact O-CG 3.44Å; V92-L96 PolarHBondContact O-N 3.05Å |
| 93 | K | 69 | Low | 71.4 | Confident | 108 Ų | 108 | 88.8 Ų | 88.8 | 47% | 0.47 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.3 | -25.6 | 175.9 | -72.2 | 173.8 | -176 | 161.6 | 0 | 114.2 | D89 N91 | D89-K93 WeakPolarHBondContact O-CG 3.5Å; D89-K93 PolarHBondContact O-N 3.29Å; D89-K93 VanDerWaalsContact O-N 3.13Å; D89-K93 VanDerWaalsContact OD2-CE 3.23Å; D89-K93 WeakPolarHBondContact OD2-CE 3.42Å; D89-K93 IonicContact OD2-NZ 2.74Å; D89-K93 PolarHBondContact OD2-NZ 3.4Å; N91-K93 VanDerWaalsContact C-N 3.31Å; N91-K93 PolarHBondContact O-N 3.49Å |
| 94 | K | 72.9 | Confident | 73.1 | Confident | 155 Ų | 155 | 87 Ų | 87 | 67% | 0.674 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -79.5 | -29.8 | 175.7 | -67.1 | 176.8 | -173.7 | 177.9 | 0 | 112.6 | A90 N91 V92 | A90-K94 WeakPolarHBondContact O-CG 3.46Å; N91-K94 WeakPolarHBondContact O-CB 3.3Å; N91-K94 PolarHBondContact O-N 3.4Å; N91-K94 VanDerWaalsContact O-N 3.09Å; V92-K94 PolarHBondContact O-N 2.95Å |
| 95 | L | 70.4 | Confident | 74.7 | Confident | 89 Ų | 89 | 88 Ų | 88 | 47% | 0.466 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -89.3 | -24.7 | -178.5 | -64.9 | 173.7 | 0 | 0 | 0 | 113 | L85 N91 V92 | L85-L95 HydrophobicContact CD1-CD1 4.22Å; N91-L95 WeakPolarHBondContact O-CG 3.28Å; N91-L95 PolarHBondContact O-N 3.46Å; V92-L95 PolarHBondContact O-N 3.11Å; V92-L95 VanDerWaalsContact O-N 3.11Å |
| 96 | L | 73.7 | Confident | 76.3 | Confident | 63 Ų | 63 | 87 Ų | 87 | 33% | 0.33 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -75.7 | 147.1 | 179.3 | -72.5 | 175.5 | 0 | 0 | 0 | 111.6 | V92 K98 I106 | V92-L96 HydrophobicContact CG1-CD1 3.52Å; V92-L96 HydrophobicContact CG1-CG 3.97Å; V92-L96 WeakPolarHBondContact O-CB 3.39Å; V92-L96 VanDerWaalsContact O-CG 3.27Å; V92-L96 WeakPolarHBondContact O-CG 3.44Å; V92-L96 PolarHBondContact O-N 3.05Å; L96-K98 PolarHBondContact O-N 2.98Å; L96-I106 HydrophobicContact CD1-CD1 3.37Å; L96-I106 HydrophobicContact CD1-CG1 4.05Å |
| 97 | P | 78.8 | Confident | 77.8 | Confident | 88 Ų | 88 | 88.2 Ų | 88.2 | 57% | 0.571 | 45% | 0.452 | S | S | * | . | trans | -52.7 | 130.2 | 174.7 | -24.9 | 33.4 | 0 | 0 | 0 | 110.3 | S99 S102 | P97-S99 PolarHBondContact O-N 3.35Å; P97-S102 PolarHBondContact O-OG 3.31Å | ||
| 98 | K | 81.9 | Confident | 79.6 | Confident | 176 Ų | 176 | 88.3 Ų | 88.3 | 77% | 0.765 | 45% | 0.446 | S | S | * | . | trans | -73.4 | 26.2 | 177 | -62.7 | -179.6 | -178.1 | 175.2 | 0 | 112.8 | L96 R103 | L96-K98 PolarHBondContact O-N 2.98Å; K98-R103 PolarHBondContact O-NH1 3.39Å; K98-R103 PolarHBondContact O-NH2 2.91Å | ||
| 99 | S | 89.4 | Confident | 80.9 | Confident | 56 Ų | 56 | 91 Ų | 91 | 39% | 0.392 | 46% | 0.457 | S | S | . | . | trans | -67.9 | 157.3 | 175.5 | 65.6 | 0 | 0 | 0 | 0 | 110.4 | P97 L101 S102 | P97-S99 PolarHBondContact O-N 3.35Å; S99-L101 VanDerWaalsContact C-N 3.34Å; S99-S102 PolarHBondContact O-OG 2.74Å; S99-S102 WeakPolarHBondContact OG-CB 3.23Å; S99-S102 PolarHBondContact OG-N 2.93Å; S99-S102 PolarHBondContact OG-OG 3.25Å | ||
| 100 | H | 87.2 | Confident | 82 | Confident | 138 Ų | 138 | 91.6 Ų | 91.6 | 64% | 0.639 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -66.2 | -41.1 | 176.2 | -176.7 | 76 | 0 | 0 | 0 | 111.1 | S102 R103 V104 | H100-S102 PolarHBondContact O-N 2.96Å; H100-R103 PolarHBondContact O-N 2.92Å; H100-V104 WeakPolarHBondContact O-CG2 3.4Å; H100-V104 PolarHBondContact O-N 3.36Å; H100-V104 VanDerWaalsContact O-N 3.13Å |
| 101 | L | 89 | Confident | 83.2 | Confident | 119 Ų | 119 | 92.1 Ų | 92.1 | 62% | 0.623 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60 | -45.5 | -179.8 | -178.5 | 60.9 | 0 | 0 | 0 | 112.9 | S99 R103 V104 I105 | S99-L101 VanDerWaalsContact C-N 3.34Å; L101-R103 VanDerWaalsContact C-N 3.31Å; L101-R103 PolarHBondContact O-N 3.18Å; L101-V104 PolarHBondContact O-N 3.19Å; L101-I105 HydrophobicContact CD1-CD1 3.93Å; L101-I105 HydrophobicContact CD1-CG1 4.2Å; L101-I105 HydrophobicContact CD2-CD1 4.46Å; L101-I105 HydrophobicContact CG-CD1 3.75Å; L101-I105 HydrophobicContact CG-CG1 4.44Å; L101-I105 VanDerWaalsContact O-CG1 3.28Å; L101-I105 WeakPolarHBondContact O-CG1 3.27Å; L101-I105 PolarHBondContact O-N 2.92Å |
| 102 | S | 86.5 | Confident | 84.5 | Confident | 20 Ų | 20 | 91.2 Ų | 91.2 | 14% | 0.14 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 178.9 | 63.3 | 0 | 0 | 0 | 0 | 111.8 | P97 S99 H100 I105 I106 | P97-S102 PolarHBondContact O-OG 3.31Å; S99-S102 PolarHBondContact O-OG 2.74Å; S99-S102 WeakPolarHBondContact OG-CB 3.23Å; S99-S102 PolarHBondContact OG-N 2.93Å; S99-S102 PolarHBondContact OG-OG 3.25Å; H100-S102 PolarHBondContact O-N 2.96Å; S102-I105 PolarHBondContact O-N 3.41Å; S102-I106 VanDerWaalsContact O-CD1 3.23Å; S102-I106 WeakPolarHBondContact O-CD1 3.49Å; S102-I106 WeakPolarHBondContact O-CG1 3.14Å; S102-I106 PolarHBondContact O-N 3.27Å |
| 103 | R | 87.4 | Confident | 85.9 | Confident | 132 Ų | 132 | 95.2 Ų | 95.2 | 50% | 0.498 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 177.2 | -74.3 | -170.6 | -74.1 | -91.7 | -1.9 | 112.3 | K98 H100 L101 R107 | K98-R103 PolarHBondContact O-NH1 3.39Å; K98-R103 PolarHBondContact O-NH2 2.91Å; H100-R103 PolarHBondContact O-N 2.92Å; L101-R103 VanDerWaalsContact C-N 3.31Å; L101-R103 PolarHBondContact O-N 3.18Å; R103-R107 WeakPolarHBondContact O-CB 3.42Å; R103-R107 PolarHBondContact O-N 3.13Å; R103-R107 VanDerWaalsContact O-N 3.11Å |
| 104 | V | 92.1 | Very high | 87.1 | Confident | 53 Ų | 53 | 98.2 Ų | 98.2 | 32% | 0.321 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.1 | -50.4 | 177 | 174.5 | 0 | 0 | 0 | 0 | 109.8 | H100 L101 I106 R107 D108 | H100-V104 WeakPolarHBondContact O-CG2 3.4Å; H100-V104 PolarHBondContact O-N 3.36Å; H100-V104 VanDerWaalsContact O-N 3.13Å; L101-V104 PolarHBondContact O-N 3.19Å; V104-I106 PolarHBondContact O-N 2.91Å; V104-R107 PolarHBondContact O-N 3.05Å; V104-R107 VanDerWaalsContact O-N 3.14Å; V104-D108 WeakPolarHBondContact CG1-OD2 3.23Å; V104-D108 WeakPolarHBondContact O-CB 3.01Å; V104-D108 PolarHBondContact O-N 3.49Å |
| 105 | I | 90.2 | Very high | 88.2 | Confident | 82 Ų | 82 | 96.9 Ų | 96.9 | 42% | 0.421 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -56.6 | -47.3 | 179.5 | -67.6 | 167.6 | 0 | 0 | 0 | 111.8 | L101 S102 R107 D108 N109 | L101-I105 HydrophobicContact CD1-CD1 3.93Å; L101-I105 HydrophobicContact CD1-CG1 4.2Å; L101-I105 HydrophobicContact CD2-CD1 4.46Å; L101-I105 HydrophobicContact CG-CD1 3.75Å; L101-I105 HydrophobicContact CG-CG1 4.44Å; L101-I105 VanDerWaalsContact O-CG1 3.28Å; L101-I105 WeakPolarHBondContact O-CG1 3.27Å; L101-I105 PolarHBondContact O-N 2.92Å; S102-I105 PolarHBondContact O-N 3.41Å; I105-R107 VanDerWaalsContact C-N 3.34Å; I105-R107 PolarHBondContact O-N 3.43Å; I105-D108 PolarHBondContact O-N 3.17Å; I105-N109 WeakPolarHBondContact O-CB 3.42Å; I105-N109 VanDerWaalsContact O-CG 3.25Å; I105-N109 PolarHBondContact O-N 3.23Å; I105-N109 PolarHBondContact O-ND2 2.87Å |
| 106 | I | 88.6 | Confident | 89.5 | Confident | 46 Ų | 46 | 100.5 Ų | 100.5 | 24% | 0.236 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -62.3 | -44 | 179.8 | -64.5 | 156.8 | 0 | 0 | 0 | 110.7 | L96 S102 V104 L110 | L96-I106 HydrophobicContact CD1-CD1 3.37Å; L96-I106 HydrophobicContact CD1-CG1 4.05Å; S102-I106 VanDerWaalsContact O-CD1 3.23Å; S102-I106 WeakPolarHBondContact O-CD1 3.49Å; S102-I106 WeakPolarHBondContact O-CG1 3.14Å; S102-I106 PolarHBondContact O-N 3.27Å; V104-I106 PolarHBondContact O-N 2.91Å; I106-L110 WeakPolarHBondContact O-CB 3.47Å; I106-L110 PolarHBondContact O-N 2.96Å |
| 107 | R | 89.6 | Confident | 90.6 | Very high | 174 Ų | 174 | 101.1 Ų | 101.1 | 66% | 0.657 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.3 | -43.9 | -179.9 | -173.7 | -176.9 | -177.9 | -169.3 | -1.6 | 111.1 | R103 V104 I105 L110 N111 | R103-R107 WeakPolarHBondContact O-CB 3.42Å; R103-R107 PolarHBondContact O-N 3.13Å; R103-R107 VanDerWaalsContact O-N 3.11Å; V104-R107 PolarHBondContact O-N 3.05Å; V104-R107 VanDerWaalsContact O-N 3.14Å; I105-R107 VanDerWaalsContact C-N 3.34Å; I105-R107 PolarHBondContact O-N 3.43Å; R107-L110 PolarHBondContact O-N 3.42Å; R107-N111 WeakPolarHBondContact O-CB 3.43Å; R107-N111 VanDerWaalsContact O-CG 3.28Å; R107-N111 PolarHBondContact O-N 3.46Å; R107-N111 PolarHBondContact O-ND2 3.46Å |
| 108 | D | 93.4 | Very high | 91.5 | Very high | 85 Ų | 85 | 102 Ų | 102 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.4 | -41.5 | -178.6 | -70.1 | -9.4 | 0 | 0 | 0 | 111.2 | V104 I105 L110 N111 A112 | V104-D108 WeakPolarHBondContact CG1-OD2 3.23Å; V104-D108 WeakPolarHBondContact O-CB 3.01Å; V104-D108 PolarHBondContact O-N 3.49Å; I105-D108 PolarHBondContact O-N 3.17Å; D108-L110 PolarHBondContact O-N 3.11Å; D108-N111 PolarHBondContact O-N 3.09Å; D108-A112 VanDerWaalsContact O-CB 3.3Å; D108-A112 WeakPolarHBondContact O-CB 3.41Å; D108-A112 PolarHBondContact O-N 3.3Å |
| 109 | N | 92.1 | Very high | 92.2 | Very high | 102 Ų | 102 | 99.9 Ų | 99.9 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 175 | -72.7 | -20.1 | 0 | 0 | 0 | 112.3 | I105 N111 A112 Q113 | I105-N109 WeakPolarHBondContact O-CB 3.42Å; I105-N109 VanDerWaalsContact O-CG 3.25Å; I105-N109 PolarHBondContact O-N 3.23Å; I105-N109 PolarHBondContact O-ND2 2.87Å; N109-N111 VanDerWaalsContact C-N 3.34Å; N109-A112 PolarHBondContact O-N 2.86Å; N109-Q113 WeakPolarHBondContact O-CB 3.44Å; N109-Q113 PolarHBondContact O-N 3.3Å |
| 110 | L | 89.2 | Confident | 92.6 | Very high | 97 Ų | 97 | 102.7 Ų | 102.7 | 51% | 0.508 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 176.2 | -176.3 | 70.3 | 0 | 0 | 0 | 111.3 | I106 R107 D108 R114 | I106-L110 WeakPolarHBondContact O-CB 3.47Å; I106-L110 PolarHBondContact O-N 2.96Å; R107-L110 PolarHBondContact O-N 3.42Å; D108-L110 PolarHBondContact O-N 3.11Å; L110-R114 WeakPolarHBondContact O-CB 3.32Å; L110-R114 PolarHBondContact O-N 2.96Å |
| 111 | N | 92.9 | Very high | 93 | Very high | 71 Ų | 71 | 102.5 Ų | 102.5 | 38% | 0.38 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 176.3 | -75.7 | -18.8 | 0 | 0 | 0 | 111.6 | R107 D108 N109 R114 M115 | R107-N111 WeakPolarHBondContact O-CB 3.43Å; R107-N111 VanDerWaalsContact O-CG 3.28Å; R107-N111 PolarHBondContact O-N 3.46Å; R107-N111 PolarHBondContact O-ND2 3.46Å; D108-N111 PolarHBondContact O-N 3.09Å; N109-N111 VanDerWaalsContact C-N 3.34Å; N111-R114 PolarHBondContact O-N 3.41Å; N111-M115 WeakPolarHBondContact O-CG 3.45Å; N111-M115 PolarHBondContact O-N 3.02Å |
| 112 | A | 94.1 | Very high | 93.4 | Very high | 37 Ų | 37 | 99.6 Ų | 99.6 | 31% | 0.306 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.1 | -47.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | D108 N109 R114 M115 Y116 | D108-A112 VanDerWaalsContact O-CB 3.3Å; D108-A112 WeakPolarHBondContact O-CB 3.41Å; D108-A112 PolarHBondContact O-N 3.3Å; N109-A112 PolarHBondContact O-N 2.86Å; A112-R114 VanDerWaalsContact C-N 3.34Å; A112-R114 PolarHBondContact O-N 3.28Å; A112-M115 PolarHBondContact O-N 2.87Å; A112-Y116 HydrophobicContact CB-CE2 4.24Å; A112-Y116 WeakPolarHBondContact O-CD2 3.47Å; A112-Y116 PolarHBondContact O-N 2.99Å |
| 113 | Q | 94.7 | Very high | 93.8 | Very high | 109 Ų | 109 | 102.1 Ų | 102.1 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.6 | -47.3 | 175.3 | -176.9 | -179.4 | -14.5 | 0 | 0 | 111.5 | N109 M115 Y116 E117 | N109-Q113 WeakPolarHBondContact O-CB 3.44Å; N109-Q113 PolarHBondContact O-N 3.3Å; Q113-M115 VanDerWaalsContact C-N 3.29Å; Q113-M115 PolarHBondContact O-N 3.4Å; Q113-Y116 PolarHBondContact O-N 3.11Å; Q113-E117 PolarHBondContact NE2-OE1 2.85Å; Q113-E117 WeakPolarHBondContact O-CG 3.38Å; Q113-E117 PolarHBondContact O-N 3.23Å |
| 114 | R | 95.9 | Very high | 94.3 | Very high | 171 Ų | 171 | 98.4 Ų | 98.4 | 65% | 0.645 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.4 | -41.7 | 178.2 | -165.8 | -178 | -144.9 | -177.3 | 5.7 | 111.9 | L110 N111 A112 E117 M118 | L110-R114 WeakPolarHBondContact O-CB 3.32Å; L110-R114 PolarHBondContact O-N 2.96Å; N111-R114 PolarHBondContact O-N 3.41Å; A112-R114 VanDerWaalsContact C-N 3.34Å; A112-R114 PolarHBondContact O-N 3.28Å; R114-E117 PolarHBondContact O-N 3.45Å; R114-M118 HydrophobicContact CG-CE 4.33Å; R114-M118 VanDerWaalsContact O-CG 3.32Å; R114-M118 WeakPolarHBondContact O-CG 3.25Å; R114-M118 PolarHBondContact O-N 3.36Å |
| 115 | M | 95.9 | Very high | 94.5 | Very high | 126 Ų | 126 | 102.4 Ų | 102.4 | 62% | 0.621 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.4 | -48 | 176.2 | -79.8 | -166.1 | 49 | 0 | 0 | 112 | N111 A112 Q113 E117 M118 E119 | N111-M115 WeakPolarHBondContact O-CG 3.45Å; N111-M115 PolarHBondContact O-N 3.02Å; A112-M115 PolarHBondContact O-N 2.87Å; Q113-M115 VanDerWaalsContact C-N 3.29Å; Q113-M115 PolarHBondContact O-N 3.4Å; M115-E117 VanDerWaalsContact C-N 3.32Å; M115-E117 PolarHBondContact O-N 3.48Å; M115-M118 HydrophobicContact CG-CE 4.16Å; M115-M118 PolarHBondContact O-N 3.01Å; M115-E119 WeakPolarHBondContact O-CB 3.41Å; M115-E119 PolarHBondContact O-N 3.34Å |
| 116 | Y | 96.9 | Very high | 94.8 | Very high | 165 Ų | 165 | 102.9 Ų | 102.9 | 65% | 0.647 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.1 | -42 | 176.4 | -72.1 | -57 | 0 | 0 | 0 | 112.3 | A112 Q113 M118 E119 M120 | A112-Y116 HydrophobicContact CB-CE2 4.24Å; A112-Y116 WeakPolarHBondContact O-CD2 3.47Å; A112-Y116 PolarHBondContact O-N 2.99Å; Q113-Y116 PolarHBondContact O-N 3.11Å; Y116-M118 PolarHBondContact O-N 3.47Å; Y116-E119 PolarHBondContact O-N 3.31Å; Y116-M120 VanDerWaalsContact O-CB 3.28Å; Y116-M120 WeakPolarHBondContact O-CB 3.28Å; Y116-M120 PolarHBondContact O-N 2.86Å |
| 117 | E | 96.8 | Very high | 95.3 | Very high | 77 Ų | 77 | 107.7 Ų | 107.7 | 36% | 0.36 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 176.7 | -73.9 | 178.8 | -160.1 | 0 | 0 | 112.6 | Q113 R114 M115 K121 | Q113-E117 PolarHBondContact NE2-OE1 2.85Å; Q113-E117 WeakPolarHBondContact O-CG 3.38Å; Q113-E117 PolarHBondContact O-N 3.23Å; R114-E117 PolarHBondContact O-N 3.45Å; M115-E117 VanDerWaalsContact C-N 3.32Å; M115-E117 PolarHBondContact O-N 3.48Å; E117-K121 WeakPolarHBondContact O-CB 3.46Å; E117-K121 VanDerWaalsContact O-CG 3.25Å; E117-K121 WeakPolarHBondContact O-CG 3.39Å; E117-K121 PolarHBondContact O-N 3.2Å |
| 118 | M | 97.7 | Very high | 95.7 | Very high | 107 Ų | 107 | 107.5 Ų | 107.5 | 53% | 0.527 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 176.3 | -74.1 | -173.3 | -60.8 | 0 | 0 | 111.4 | R114 M115 Y116 K121 A122 | R114-M118 HydrophobicContact CG-CE 4.33Å; R114-M118 VanDerWaalsContact O-CG 3.32Å; R114-M118 WeakPolarHBondContact O-CG 3.25Å; R114-M118 PolarHBondContact O-N 3.36Å; M115-M118 HydrophobicContact CG-CE 4.16Å; M115-M118 PolarHBondContact O-N 3.01Å; Y116-M118 PolarHBondContact O-N 3.47Å; M118-K121 PolarHBondContact O-N 3.43Å; M118-A122 WeakPolarHBondContact O-CB 3.21Å; M118-A122 PolarHBondContact O-N 3.29Å |
| 119 | E | 96.8 | Very high | 95.8 | Very high | 131 Ų | 131 | 110 Ų | 110 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.3 | -45.8 | 177.2 | -174.5 | 179.8 | 175.8 | 0 | 0 | 111.3 | M115 Y116 K121 A122 S123 | M115-E119 WeakPolarHBondContact O-CB 3.41Å; M115-E119 PolarHBondContact O-N 3.34Å; Y116-E119 PolarHBondContact O-N 3.31Å; E119-K121 PolarHBondContact O-N 3.22Å; E119-A122 PolarHBondContact O-N 2.94Å; E119-S123 WeakPolarHBondContact O-CB 3.36Å; E119-S123 PolarHBondContact O-N 3.21Å |
| 120 | M | 97.1 | Very high | 96.1 | Very high | 114 Ų | 114 | 110.9 Ų | 110.9 | 56% | 0.562 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.1 | -46.2 | 177.1 | -170.2 | -179 | 72.8 | 0 | 0 | 111.3 | Y116 A122 S123 D124 | Y116-M120 VanDerWaalsContact O-CB 3.28Å; Y116-M120 WeakPolarHBondContact O-CB 3.28Å; Y116-M120 PolarHBondContact O-N 2.86Å; M120-A122 VanDerWaalsContact C-N 3.33Å; M120-A122 PolarHBondContact O-N 3.46Å; M120-S123 PolarHBondContact O-N 3.39Å; M120-D124 WeakPolarHBondContact O-CB 3.25Å; M120-D124 PolarHBondContact O-N 3.29Å |
| 121 | K | 96.4 | Very high | 96.6 | Very high | 134 Ų | 134 | 109 Ų | 109 | 58% | 0.583 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.7 | -39.7 | 176.9 | -76.1 | 169.8 | -179.1 | 165.7 | 0 | 112.4 | E117 M118 E119 K125 | E117-K121 WeakPolarHBondContact O-CB 3.46Å; E117-K121 VanDerWaalsContact O-CG 3.25Å; E117-K121 WeakPolarHBondContact O-CG 3.39Å; E117-K121 PolarHBondContact O-N 3.2Å; M118-K121 PolarHBondContact O-N 3.43Å; E119-K121 PolarHBondContact O-N 3.22Å; K121-K125 PolarHBondContact O-N 3.12Å |
| 122 | A | 96.4 | Very high | 96.8 | Very high | 58 Ų | 58 | 110.8 Ų | 110.8 | 48% | 0.479 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.7 | -45.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | M118 E119 M120 K125 T126 | M118-A122 WeakPolarHBondContact O-CB 3.21Å; M118-A122 PolarHBondContact O-N 3.29Å; E119-A122 PolarHBondContact O-N 2.94Å; M120-A122 VanDerWaalsContact C-N 3.33Å; M120-A122 PolarHBondContact O-N 3.46Å; A122-K125 WeakPolarHBondContact O-CB 3.45Å; A122-K125 PolarHBondContact O-N 3.36Å; A122-T126 PolarHBondContact O-N 2.89Å |
| 123 | S | 96.3 | Very high | 97 | Very high | 74 Ų | 74 | 113.1 Ų | 113.1 | 52% | 0.517 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 177 | -175 | 0 | 0 | 0 | 0 | 111.9 | E119 M120 K125 T126 K127 | E119-S123 WeakPolarHBondContact O-CB 3.36Å; E119-S123 PolarHBondContact O-N 3.21Å; M120-S123 PolarHBondContact O-N 3.39Å; S123-K125 VanDerWaalsContact C-N 3.28Å; S123-K125 PolarHBondContact O-N 3.21Å; S123-T126 PolarHBondContact O-N 2.9Å; S123-T126 VanDerWaalsContact O-N 3.1Å; S123-K127 WeakPolarHBondContact O-CB 3.41Å; S123-K127 PolarHBondContact O-N 3.01Å |
| 124 | D | 97.4 | Very high | 97.2 | Very high | 54 Ų | 54 | 114.7 Ų | 114.7 | 29% | 0.289 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.1 | -38.7 | 177 | -84.6 | -21 | 0 | 0 | 0 | 112.5 | M120 T126 K127 R128 | M120-D124 WeakPolarHBondContact O-CB 3.25Å; M120-D124 PolarHBondContact O-N 3.29Å; D124-T126 VanDerWaalsContact C-N 3.33Å; D124-T126 PolarHBondContact O-N 3.42Å; D124-K127 PolarHBondContact O-N 3.1Å; D124-R128 WeakPolarHBondContact O-CB 3.39Å; D124-R128 VanDerWaalsContact O-CG 3.22Å; D124-R128 WeakPolarHBondContact O-CG 3.48Å; D124-R128 PolarHBondContact O-N 3.47Å |
| 125 | K | 96.9 | Very high | 97.3 | Very high | 137 Ų | 137 | 109.7 Ų | 109.7 | 60% | 0.596 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.7 | -43.8 | 176.5 | -171.5 | 176.5 | -176.2 | 177 | 0 | 111.1 | K121 A122 S123 K129 | K121-K125 PolarHBondContact O-N 3.12Å; A122-K125 WeakPolarHBondContact O-CB 3.45Å; A122-K125 PolarHBondContact O-N 3.36Å; S123-K125 VanDerWaalsContact C-N 3.28Å; S123-K125 PolarHBondContact O-N 3.21Å; K125-K129 WeakPolarHBondContact O-CG 3.47Å; K125-K129 PolarHBondContact O-N 3.3Å; K125-K129 VanDerWaalsContact O-N 3.12Å |
| 126 | T | 96.5 | Very high | 97.4 | Very high | 91 Ų | 91 | 109.8 Ų | 109.8 | 56% | 0.558 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.5 | -44.4 | 177.9 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | A122 S123 D124 R128 K129 M130 | A122-T126 PolarHBondContact O-N 2.89Å; S123-T126 PolarHBondContact O-N 2.9Å; S123-T126 VanDerWaalsContact O-N 3.1Å; D124-T126 VanDerWaalsContact C-N 3.33Å; D124-T126 PolarHBondContact O-N 3.42Å; T126-R128 VanDerWaalsContact C-N 3.33Å; T126-R128 PolarHBondContact O-N 2.85Å; T126-K129 PolarHBondContact O-N 2.85Å; T126-M130 WeakPolarHBondContact O-CB 3.22Å; T126-M130 PolarHBondContact O-N 3.35Å |
| 127 | K | 97.7 | Very high | 97.5 | Very high | 147 Ų | 147 | 106.5 Ų | 106.5 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -56.9 | -45.2 | 175.8 | -177.1 | 179.7 | 176.5 | -178.6 | 0 | 111.9 | S123 D124 M130 S131 | S123-K127 WeakPolarHBondContact O-CB 3.41Å; S123-K127 PolarHBondContact O-N 3.01Å; D124-K127 PolarHBondContact O-N 3.1Å; K127-M130 PolarHBondContact O-N 2.94Å; K127-S131 WeakPolarHBondContact O-CB 3.36Å; K127-S131 PolarHBondContact O-N 3.27Å |
| 128 | R | 97.6 | Very high | 97.6 | Very high | 170 Ų | 170 | 108.2 Ų | 108.2 | 64% | 0.642 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.9 | -45 | 176.4 | -71.7 | 173.5 | -166.1 | -176.2 | 5.6 | 112.1 | D124 T126 M130 S131 N132 | D124-R128 WeakPolarHBondContact O-CB 3.39Å; D124-R128 VanDerWaalsContact O-CG 3.22Å; D124-R128 WeakPolarHBondContact O-CG 3.48Å; D124-R128 PolarHBondContact O-N 3.47Å; T126-R128 VanDerWaalsContact C-N 3.33Å; T126-R128 PolarHBondContact O-N 2.85Å; R128-M130 VanDerWaalsContact C-N 3.34Å; R128-M130 PolarHBondContact O-N 3.36Å; R128-S131 PolarHBondContact O-N 3.41Å; R128-N132 WeakPolarHBondContact O-CB 3.46Å; R128-N132 PolarHBondContact O-N 3.26Å; R128-N132 PolarHBondContact O-OD1 3.46Å |
| 129 | K | 97.3 | Very high | 97.6 | Very high | 137 Ų | 137 | 110.4 Ų | 110.4 | 60% | 0.596 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59.4 | -45.4 | 175.7 | -74.8 | 179.5 | 176.5 | -171.5 | 0 | 111.7 | K125 T126 N132 L133 | K125-K129 WeakPolarHBondContact O-CG 3.47Å; K125-K129 PolarHBondContact O-N 3.3Å; K125-K129 VanDerWaalsContact O-N 3.12Å; T126-K129 PolarHBondContact O-N 2.85Å; K129-N132 PolarHBondContact O-N 3Å; K129-L133 PolarHBondContact O-N 3.39Å |
| 130 | M | 98.3 | Very high | 97.7 | Very high | 121 Ų | 121 | 108.7 Ų | 108.7 | 60% | 0.596 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.9 | -43.4 | 178.9 | -170 | 60.4 | 71.7 | 0 | 0 | 111.7 | T126 K127 R128 N132 L133 Y134 | T126-M130 WeakPolarHBondContact O-CB 3.22Å; T126-M130 PolarHBondContact O-N 3.35Å; K127-M130 PolarHBondContact O-N 2.94Å; R128-M130 VanDerWaalsContact C-N 3.34Å; R128-M130 PolarHBondContact O-N 3.36Å; M130-N132 PolarHBondContact O-N 3.32Å; M130-L133 PolarHBondContact O-N 3.42Å; M130-L133 HydrophobicContact SD-CD2 4.46Å; M130-Y134 WeakPolarHBondContact O-CB 3.29Å; M130-Y134 PolarHBondContact O-N 2.91Å |
| 131 | S | 98.4 | Very high | 97.8 | Very high | 58 Ų | 58 | 109.5 Ų | 109.5 | 41% | 0.406 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.9 | -47.8 | 174.7 | -169.5 | 0 | 0 | 0 | 0 | 111.5 | K127 R128 L133 Y134 D135 | K127-S131 WeakPolarHBondContact O-CB 3.36Å; K127-S131 PolarHBondContact O-N 3.27Å; R128-S131 PolarHBondContact O-N 3.41Å; S131-L133 VanDerWaalsContact C-N 3.33Å; S131-L133 PolarHBondContact O-N 2.87Å; S131-Y134 WeakPolarHBondContact O-CB 3.43Å; S131-Y134 PolarHBondContact O-N 3.42Å; S131-D135 PolarHBondContact O-N 2.84Å |
| 132 | N | 98.3 | Very high | 97.9 | Very high | 108 Ų | 108 | 106.5 Ų | 106.5 | 58% | 0.578 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63 | -40.5 | 179.5 | -68.7 | -6.6 | 0 | 0 | 0 | 112 | R128 K129 M130 D135 Y136 | R128-N132 WeakPolarHBondContact O-CB 3.46Å; R128-N132 PolarHBondContact O-N 3.26Å; R128-N132 PolarHBondContact O-OD1 3.46Å; K129-N132 PolarHBondContact O-N 3Å; M130-N132 PolarHBondContact O-N 3.32Å; N132-D135 PolarHBondContact O-N 2.84Å; N132-Y136 WeakPolarHBondContact O-CB 3.46Å; N132-Y136 PolarHBondContact O-N 3.47Å |
| 133 | L | 98.3 | Very high | 98 | Very high | 86 Ų | 86 | 105.3 Ų | 105.3 | 45% | 0.45 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 175.6 | 177.1 | 61.5 | 0 | 0 | 0 | 111.1 | K129 M130 S131 D135 Y136 L137 | K129-L133 PolarHBondContact O-N 3.39Å; M130-L133 PolarHBondContact O-N 3.42Å; M130-L133 HydrophobicContact SD-CD2 4.46Å; S131-L133 VanDerWaalsContact C-N 3.33Å; S131-L133 PolarHBondContact O-N 2.87Å; L133-D135 PolarHBondContact O-N 3.29Å; L133-Y136 PolarHBondContact O-N 3.48Å; L133-L137 HydrophobicContact CD1-CD1 3.93Å; L133-L137 HydrophobicContact CD1-CG 3.97Å; L133-L137 HydrophobicContact CG-CD1 3.91Å; L133-L137 HydrophobicContact CG-CG 4.35Å; L133-L137 WeakPolarHBondContact O-CB 3.35Å; L133-L137 VanDerWaalsContact O-CG 3.29Å; L133-L137 WeakPolarHBondContact O-CG 3.28Å; L133-L137 PolarHBondContact O-N 3.25Å |
| 134 | Y | 98.4 | Very high | 98.1 | Very high | 142 Ų | 142 | 105.1 Ų | 105.1 | 56% | 0.557 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.1 | -48.5 | 176.5 | 172.7 | -100.1 | 0 | 0 | 0 | 111.6 | M130 S131 Y136 L137 K138 | M130-Y134 WeakPolarHBondContact O-CB 3.29Å; M130-Y134 PolarHBondContact O-N 2.91Å; S131-Y134 WeakPolarHBondContact O-CB 3.43Å; S131-Y134 PolarHBondContact O-N 3.42Å; Y134-Y136 VanDerWaalsContact C-N 3.33Å; Y134-Y136 PolarHBondContact O-N 3.29Å; Y134-L137 PolarHBondContact O-N 3.47Å; Y134-K138 HydrophobicContact CE1-CD 4.17Å; Y134-K138 VanDerWaalsContact O-CB 3.25Å; Y134-K138 WeakPolarHBondContact O-CB 3.25Å; Y134-K138 PolarHBondContact O-N 2.94Å |
| 135 | D | 98.4 | Very high | 98.1 | Very high | 66 Ų | 66 | 106.2 Ų | 106.2 | 35% | 0.353 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 178.4 | -73.1 | -28.4 | 0 | 0 | 0 | 112.1 | S131 N132 L133 K139 | S131-D135 PolarHBondContact O-N 2.84Å; N132-D135 PolarHBondContact O-N 2.84Å; L133-D135 PolarHBondContact O-N 3.29Å; D135-K139 WeakPolarHBondContact O-CB 3.48Å; D135-K139 VanDerWaalsContact O-CG 3.23Å; D135-K139 WeakPolarHBondContact O-CG 3.47Å; D135-K139 PolarHBondContact O-N 3.3Å |
| 136 | Y | 98.4 | Very high | 98.2 | Very high | 128 Ų | 128 | 104.6 Ų | 104.6 | 50% | 0.502 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -50.2 | 175.7 | 172.9 | -102.6 | 0 | 0 | 0 | 111.7 | N132 L133 Y134 K138 K139 K140 | N132-Y136 WeakPolarHBondContact O-CB 3.46Å; N132-Y136 PolarHBondContact O-N 3.47Å; L133-Y136 PolarHBondContact O-N 3.48Å; Y134-Y136 VanDerWaalsContact C-N 3.33Å; Y134-Y136 PolarHBondContact O-N 3.29Å; Y136-K138 PolarHBondContact O-N 2.88Å; Y136-K139 PolarHBondContact O-N 2.93Å; Y136-K140 HydrophobicContact CD1-CG 4.47Å; Y136-K140 HydrophobicContact CD2-CG 4.25Å; Y136-K140 HydrophobicContact CE1-CG 4.01Å; Y136-K140 HydrophobicContact CE2-CD 4.31Å; Y136-K140 HydrophobicContact CE2-CG 3.76Å; Y136-K140 WeakPolarHBondContact O-CB 3.33Å; Y136-K140 WeakPolarHBondContact O-CG 3.29Å; Y136-K140 PolarHBondContact O-N 2.95Å; Y136-K140 VanDerWaalsContact OH-CE 3.27Å; Y136-K140 WeakPolarHBondContact OH-CE 3.27Å |
| 137 | L | 98.5 | Very high | 98.3 | Very high | 96 Ų | 96 | 106.6 Ų | 106.6 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 179.6 | -70.9 | 175.1 | 0 | 0 | 0 | 111.2 | L133 Y134 K139 K140 F141 | L133-L137 HydrophobicContact CD1-CD1 3.93Å; L133-L137 HydrophobicContact CD1-CG 3.97Å; L133-L137 HydrophobicContact CG-CD1 3.91Å; L133-L137 HydrophobicContact CG-CG 4.35Å; L133-L137 WeakPolarHBondContact O-CB 3.35Å; L133-L137 VanDerWaalsContact O-CG 3.29Å; L133-L137 WeakPolarHBondContact O-CG 3.28Å; L133-L137 PolarHBondContact O-N 3.25Å; Y134-L137 PolarHBondContact O-N 3.47Å; L137-K139 PolarHBondContact O-N 3.34Å; L137-K140 PolarHBondContact O-N 3.48Å; L137-F141 VanDerWaalsContact O-CB 3.28Å; L137-F141 WeakPolarHBondContact O-CB 3.44Å; L137-F141 PolarHBondContact O-N 3.38Å |
| 138 | K | 98.5 | Very high | 98.3 | Very high | 114 Ų | 114 | 104.6 Ų | 104.6 | 50% | 0.496 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.7 | -48.8 | 175.3 | -175.7 | 179.1 | 177 | 179.6 | 0 | 111.3 | Y134 Y136 F141 V142 | Y134-K138 HydrophobicContact CE1-CD 4.17Å; Y134-K138 VanDerWaalsContact O-CB 3.25Å; Y134-K138 WeakPolarHBondContact O-CB 3.25Å; Y134-K138 PolarHBondContact O-N 2.94Å; Y136-K138 PolarHBondContact O-N 2.88Å; K138-F141 PolarHBondContact O-N 2.98Å; K138-V142 WeakPolarHBondContact O-CB 3.23Å; K138-V142 VanDerWaalsContact O-CG2 3.29Å; K138-V142 WeakPolarHBondContact O-CG2 3.35Å; K138-V142 PolarHBondContact O-N 3.49Å |
| 139 | K | 98.6 | Very high | 98.3 | Very high | 153 Ų | 153 | 101.5 Ų | 101.5 | 67% | 0.665 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.1 | -46 | 177.6 | -75.8 | 173.2 | -177 | 177.4 | 0 | 111.7 | D135 Y136 L137 A143 | D135-K139 WeakPolarHBondContact O-CB 3.48Å; D135-K139 VanDerWaalsContact O-CG 3.23Å; D135-K139 WeakPolarHBondContact O-CG 3.47Å; D135-K139 PolarHBondContact O-N 3.3Å; Y136-K139 PolarHBondContact O-N 2.93Å; L137-K139 PolarHBondContact O-N 3.34Å; K139-A143 WeakPolarHBondContact O-CB 3.32Å; K139-A143 PolarHBondContact O-N 3.49Å |
| 140 | K | 98.4 | Very high | 98.3 | Very high | 94 Ų | 94 | 100.3 Ų | 100.3 | 41% | 0.409 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.6 | -47.5 | 178.7 | -80.1 | -75.7 | 176.6 | 165.3 | 0 | 111.8 | Y136 L137 A143 D144 | Y136-K140 HydrophobicContact CD1-CG 4.47Å; Y136-K140 HydrophobicContact CD2-CG 4.25Å; Y136-K140 HydrophobicContact CE1-CG 4.01Å; Y136-K140 HydrophobicContact CE2-CD 4.31Å; Y136-K140 HydrophobicContact CE2-CG 3.76Å; Y136-K140 WeakPolarHBondContact O-CB 3.33Å; Y136-K140 WeakPolarHBondContact O-CG 3.29Å; Y136-K140 PolarHBondContact O-N 2.95Å; Y136-K140 VanDerWaalsContact OH-CE 3.27Å; Y136-K140 WeakPolarHBondContact OH-CE 3.27Å; L137-K140 PolarHBondContact O-N 3.48Å; K140-A143 PolarHBondContact O-N 2.91Å; K140-D144 WeakPolarHBondContact O-CB 3.38Å; K140-D144 PolarHBondContact O-N 2.92Å |
| 141 | F | 98.7 | Very high | 98.3 | Very high | 131 Ų | 131 | 102.3 Ų | 102.3 | 58% | 0.575 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -58.1 | -53.8 | 177.5 | 178.3 | -98.5 | 0 | 0 | 0 | 111.1 | L137 K138 A143 D144 Q145 | L137-F141 VanDerWaalsContact O-CB 3.28Å; L137-F141 WeakPolarHBondContact O-CB 3.44Å; L137-F141 PolarHBondContact O-N 3.38Å; K138-F141 PolarHBondContact O-N 2.98Å; F141-A143 VanDerWaalsContact C-N 3.33Å; F141-A143 PolarHBondContact O-N 2.74Å; F141-D144 PolarHBondContact O-N 2.96Å; F141-Q145 HydrophobicContact CD1-CG 4.17Å; F141-Q145 HydrophobicContact CD2-CG 4.39Å; F141-Q145 HydrophobicContact CE1-CG 3.77Å; F141-Q145 HydrophobicContact CE2-CG 4.02Å; F141-Q145 VanDerWaalsContact CE2-NE2 3.32Å; F141-Q145 HydrophobicContact CG-CG 4.46Å; F141-Q145 HydrophobicContact CZ-CG 3.69Å; F141-Q145 WeakPolarHBondContact O-CG 3.33Å; F141-Q145 PolarHBondContact O-N 3.2Å |
| 142 | V | 98.4 | Very high | 98.3 | Very high | 72 Ų | 72 | 106.6 Ų | 106.6 | 44% | 0.436 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.9 | -44.5 | -179.7 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | K138 D144 Q145 L146 | K138-V142 WeakPolarHBondContact O-CB 3.23Å; K138-V142 VanDerWaalsContact O-CG2 3.29Å; K138-V142 WeakPolarHBondContact O-CG2 3.35Å; K138-V142 PolarHBondContact O-N 3.49Å; V142-D144 VanDerWaalsContact C-N 3.33Å; V142-D144 PolarHBondContact O-N 3.37Å; V142-Q145 PolarHBondContact O-N 3.49Å; V142-L146 HydrophobicContact CG1-CD1 3.95Å; V142-L146 HydrophobicContact CG1-CG 4.43Å; V142-L146 WeakPolarHBondContact O-CB 3.47Å; V142-L146 WeakPolarHBondContact O-CG 3.42Å; V142-L146 PolarHBondContact O-N 3.5Å |
| 143 | A | 98.5 | Very high | 98.2 | Very high | 33 Ų | 33 | 109.8 Ų | 109.8 | 27% | 0.273 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K139 K140 F141 R147 | K139-A143 WeakPolarHBondContact O-CB 3.32Å; K139-A143 PolarHBondContact O-N 3.49Å; K140-A143 PolarHBondContact O-N 2.91Å; F141-A143 VanDerWaalsContact C-N 3.33Å; F141-A143 PolarHBondContact O-N 2.74Å; A143-R147 WeakPolarHBondContact O-CG 3.21Å; A143-R147 PolarHBondContact O-N 3.43Å |
| 144 | D | 98.5 | Very high | 98.2 | Very high | 70 Ų | 70 | 114.9 Ų | 114.9 | 37% | 0.374 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.1 | -40.2 | 179 | -75.7 | -12.7 | 0 | 0 | 0 | 112.1 | K140 F141 V142 L146 R147 K148 | K140-D144 WeakPolarHBondContact O-CB 3.38Å; K140-D144 PolarHBondContact O-N 2.92Å; F141-D144 PolarHBondContact O-N 2.96Å; V142-D144 VanDerWaalsContact C-N 3.33Å; V142-D144 PolarHBondContact O-N 3.37Å; D144-L146 PolarHBondContact O-N 2.95Å; D144-R147 PolarHBondContact O-N 2.93Å; D144-R147 IonicContact OD1-CZ 3.12Å; D144-R147 IonicContact OD1-NH1 2.74Å; D144-R147 PolarHBondContact OD1-NH1 3.44Å; D144-K148 WeakPolarHBondContact O-CG 3.48Å; D144-K148 PolarHBondContact O-N 2.93Å |
| 145 | Q | 98.1 | Very high | 98.1 | Very high | 76 Ų | 76 | 113.5 Ų | 113.5 | 36% | 0.355 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 173.2 | -65.4 | -52.8 | -33.6 | 0 | 0 | 111.1 | F141 V142 R147 K148 M149 | F141-Q145 HydrophobicContact CD1-CG 4.17Å; F141-Q145 HydrophobicContact CD2-CG 4.39Å; F141-Q145 HydrophobicContact CE1-CG 3.77Å; F141-Q145 HydrophobicContact CE2-CG 4.02Å; F141-Q145 VanDerWaalsContact CE2-NE2 3.32Å; F141-Q145 HydrophobicContact CG-CG 4.46Å; F141-Q145 HydrophobicContact CZ-CG 3.69Å; F141-Q145 WeakPolarHBondContact O-CG 3.33Å; F141-Q145 PolarHBondContact O-N 3.2Å; V142-Q145 PolarHBondContact O-N 3.49Å; Q145-R147 PolarHBondContact O-N 3.27Å; Q145-K148 PolarHBondContact O-N 3.39Å; Q145-M149 WeakPolarHBondContact O-CB 3.49Å; Q145-M149 WeakPolarHBondContact O-CG 3.37Å; Q145-M149 PolarHBondContact O-N 2.95Å |
| 146 | L | 98.2 | Very high | 98 | Very high | 103 Ų | 103 | 113.4 Ų | 113.4 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 176.9 | -72.9 | 172.9 | 0 | 0 | 0 | 112.2 | V142 D144 K148 M149 L150 | V142-L146 HydrophobicContact CG1-CD1 3.95Å; V142-L146 HydrophobicContact CG1-CG 4.43Å; V142-L146 WeakPolarHBondContact O-CB 3.47Å; V142-L146 WeakPolarHBondContact O-CG 3.42Å; V142-L146 PolarHBondContact O-N 3.5Å; D144-L146 PolarHBondContact O-N 2.95Å; L146-K148 PolarHBondContact O-N 3.32Å; L146-M149 PolarHBondContact O-N 2.91Å; L146-L150 WeakPolarHBondContact O-CB 3.47Å; L146-L150 VanDerWaalsContact O-CG 3.31Å; L146-L150 WeakPolarHBondContact O-CG 3.37Å; L146-L150 PolarHBondContact O-N 3.03Å |
| 147 | R | 98.3 | Very high | 97.9 | Very high | 133 Ų | 133 | 111.2 Ų | 111.2 | 50% | 0.502 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 175.8 | -77 | 179.3 | -165.4 | 129.4 | -0.2 | 112.1 | A143 D144 Q145 L150 R151 | A143-R147 WeakPolarHBondContact O-CG 3.21Å; A143-R147 PolarHBondContact O-N 3.43Å; D144-R147 PolarHBondContact O-N 2.93Å; D144-R147 IonicContact OD1-CZ 3.12Å; D144-R147 IonicContact OD1-NH1 2.74Å; D144-R147 PolarHBondContact OD1-NH1 3.44Å; Q145-R147 PolarHBondContact O-N 3.27Å; R147-L150 PolarHBondContact O-N 3.35Å; R147-R151 WeakPolarHBondContact O-CG 3.31Å; R147-R151 PolarHBondContact O-N 3.01Å |
| 148 | K | 98.3 | Very high | 97.7 | Very high | 105 Ų | 105 | 110.3 Ų | 110.3 | 46% | 0.457 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.7 | -49 | 176.9 | -74 | 178 | 179.4 | -177.8 | 0 | 110.8 | D144 Q145 L146 L150 R151 W152 | D144-K148 WeakPolarHBondContact O-CG 3.48Å; D144-K148 PolarHBondContact O-N 2.93Å; Q145-K148 PolarHBondContact O-N 3.39Å; L146-K148 PolarHBondContact O-N 3.32Å; K148-L150 VanDerWaalsContact C-N 3.32Å; K148-L150 PolarHBondContact O-N 3.15Å; K148-R151 PolarHBondContact O-N 3.34Å; K148-R151 VanDerWaalsContact O-N 3.15Å; K148-W152 VanDerWaalsContact O-CG 3.31Å; K148-W152 PolarHBondContact O-N 3.4Å |
| 149 | M | 97.9 | Very high | 97.6 | Very high | 106 Ų | 106 | 108.7 Ų | 108.7 | 52% | 0.522 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56.5 | -43.9 | 176.4 | -75.5 | -56.8 | -47.4 | 0 | 0 | 112.8 | Q145 L146 W152 R153 | Q145-M149 WeakPolarHBondContact O-CB 3.49Å; Q145-M149 WeakPolarHBondContact O-CG 3.37Å; Q145-M149 PolarHBondContact O-N 2.95Å; L146-M149 PolarHBondContact O-N 2.91Å; M149-W152 HydrophobicContact SD-CE3 3.94Å; M149-W152 HydrophobicContact SD-CZ3 4.17Å; M149-R153 WeakPolarHBondContact O-CB 3.43Å; M149-R153 PolarHBondContact O-N 2.92Å |
| 150 | L | 97.7 | Very high | 97.4 | Very high | 112 Ų | 112 | 106.5 Ų | 106.5 | 59% | 0.586 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66 | -39.1 | 177.8 | -74.1 | 170 | 0 | 0 | 0 | 112.6 | L146 R147 K148 R154 | L146-L150 WeakPolarHBondContact O-CB 3.47Å; L146-L150 VanDerWaalsContact O-CG 3.31Å; L146-L150 WeakPolarHBondContact O-CG 3.37Å; L146-L150 PolarHBondContact O-N 3.03Å; R147-L150 PolarHBondContact O-N 3.35Å; K148-L150 VanDerWaalsContact C-N 3.32Å; K148-L150 PolarHBondContact O-N 3.15Å; L150-R154 PolarHBondContact O-N 2.94Å; L150-R154 VanDerWaalsContact O-N 3.15Å |
| 151 | R | 97.8 | Very high | 97.3 | Very high | 162 Ų | 162 | 110.5 Ų | 110.5 | 61% | 0.611 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.8 | -51.4 | 175 | -74.2 | -178.8 | -172.2 | -79.9 | 1.1 | 111.1 | R147 K148 R153 R154 E155 | R147-R151 WeakPolarHBondContact O-CG 3.31Å; R147-R151 PolarHBondContact O-N 3.01Å; K148-R151 PolarHBondContact O-N 3.34Å; K148-R151 VanDerWaalsContact O-N 3.15Å; R151-R153 VanDerWaalsContact C-N 3.32Å; R151-R153 PolarHBondContact O-N 3.41Å; R151-R154 WeakPolarHBondContact O-CB 3.35Å; R151-R154 PolarHBondContact O-N 2.93Å; R151-E155 WeakPolarHBondContact O-CG 3.37Å; R151-E155 PolarHBondContact O-N 2.95Å |
| 152 | W | 98 | Very high | 97.1 | Very high | 148 Ų | 148 | 110.8 Ų | 110.8 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.7 | -42.5 | 178.8 | -65.4 | -18.7 | 0 | 0 | 0 | 112.2 | K148 M149 R154 E155 S156 | K148-W152 VanDerWaalsContact O-CG 3.31Å; K148-W152 PolarHBondContact O-N 3.4Å; M149-W152 HydrophobicContact SD-CE3 3.94Å; M149-W152 HydrophobicContact SD-CZ3 4.17Å; W152-R154 VanDerWaalsContact C-N 3.29Å; W152-R154 PolarHBondContact O-N 2.82Å; W152-E155 PolarHBondContact O-N 3.35Å; W152-S156 VanDerWaalsContact O-CB 3.29Å; W152-S156 WeakPolarHBondContact O-CB 3.35Å; W152-S156 PolarHBondContact O-N 3.31Å; W152-S156 PolarHBondContact O-OG 2.82Å |
| 153 | R | 97.1 | Very high | 97 | Very high | 175 Ų | 175 | 110.9 Ų | 110.9 | 66% | 0.66 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.8 | -36.7 | 175.9 | -172.5 | 177.7 | -177.1 | -177.2 | 1.8 | 112.5 | M149 R151 S156 L157 | M149-R153 WeakPolarHBondContact O-CB 3.43Å; M149-R153 PolarHBondContact O-N 2.92Å; R151-R153 VanDerWaalsContact C-N 3.32Å; R151-R153 PolarHBondContact O-N 3.41Å; R153-S156 PolarHBondContact O-OG 3.3Å; R153-L157 HydrophobicContact CG-CD1 4.36Å; R153-L157 WeakPolarHBondContact O-CB 3.45Å; R153-L157 WeakPolarHBondContact O-CD1 3.44Å; R153-L157 WeakPolarHBondContact O-CG 3.29Å; R153-L157 PolarHBondContact O-N 3.47Å; R153-L157 VanDerWaalsContact O-N 3.16Å |
| 154 | R | 96.5 | Very high | 96.8 | Very high | 193 Ų | 193 | 112 Ų | 112 | 73% | 0.728 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.7 | -45.2 | 177.7 | -172.4 | -179.1 | -63.9 | -179.8 | -1.4 | 111.3 | L150 R151 W152 L157 S158 | L150-R154 PolarHBondContact O-N 2.94Å; L150-R154 VanDerWaalsContact O-N 3.15Å; R151-R154 WeakPolarHBondContact O-CB 3.35Å; R151-R154 PolarHBondContact O-N 2.93Å; W152-R154 VanDerWaalsContact C-N 3.29Å; W152-R154 PolarHBondContact O-N 2.82Å; R154-L157 PolarHBondContact O-N 2.9Å; R154-S158 WeakPolarHBondContact O-CB 3.47Å; R154-S158 PolarHBondContact O-N 2.96Å |
| 155 | E | 96.8 | Very high | 96.7 | Very high | 113 Ų | 113 | 115.1 Ų | 115.1 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 178 | -72.5 | 167.1 | -166.1 | 0 | 0 | 111.6 | R151 W152 S158 T159 | R151-E155 WeakPolarHBondContact O-CG 3.37Å; R151-E155 PolarHBondContact O-N 2.95Å; W152-E155 PolarHBondContact O-N 3.35Å; E155-S158 PolarHBondContact O-N 3.34Å; E155-T159 WeakPolarHBondContact O-CB 3.45Å; E155-T159 PolarHBondContact O-N 2.88Å; E155-T159 PolarHBondContact O-OG1 3Å |
| 156 | S | 96.1 | Very high | 96.4 | Very high | 65 Ų | 65 | 115.9 Ų | 115.9 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 176.7 | 74.4 | 0 | 0 | 0 | 0 | 111.4 | W152 R153 S158 T159 Q160 | W152-S156 VanDerWaalsContact O-CB 3.29Å; W152-S156 WeakPolarHBondContact O-CB 3.35Å; W152-S156 PolarHBondContact O-N 3.31Å; W152-S156 PolarHBondContact O-OG 2.82Å; R153-S156 PolarHBondContact O-OG 3.3Å; S156-S158 VanDerWaalsContact C-N 3.33Å; S156-S158 PolarHBondContact O-N 3.45Å; S156-T159 PolarHBondContact O-N 2.96Å; S156-Q160 WeakPolarHBondContact O-CB 3.32Å; S156-Q160 PolarHBondContact O-N 3.08Å |
| 157 | L | 96.5 | Very high | 96.2 | Very high | 82 Ų | 82 | 118.3 Ų | 118.3 | 43% | 0.429 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 175.4 | -79.7 | 167.8 | 0 | 0 | 0 | 111.9 | R153 R154 R161 | R153-L157 HydrophobicContact CG-CD1 4.36Å; R153-L157 WeakPolarHBondContact O-CB 3.45Å; R153-L157 WeakPolarHBondContact O-CD1 3.44Å; R153-L157 WeakPolarHBondContact O-CG 3.29Å; R153-L157 PolarHBondContact O-N 3.47Å; R153-L157 VanDerWaalsContact O-N 3.16Å; R154-L157 PolarHBondContact O-N 2.9Å; L157-R161 WeakPolarHBondContact O-CB 3.44Å; L157-R161 VanDerWaalsContact O-CG 3.3Å; L157-R161 WeakPolarHBondContact O-CG 3.49Å; L157-R161 PolarHBondContact O-N 3.41Å |
| 158 | S | 95.3 | Very high | 95.9 | Very high | 77 Ų | 77 | 117.9 Ų | 117.9 | 54% | 0.538 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.3 | -47 | 176.8 | -172.6 | 0 | 0 | 0 | 0 | 111.6 | R154 E155 S156 R161 Y162 | R154-S158 WeakPolarHBondContact O-CB 3.47Å; R154-S158 PolarHBondContact O-N 2.96Å; E155-S158 PolarHBondContact O-N 3.34Å; S156-S158 VanDerWaalsContact C-N 3.33Å; S156-S158 PolarHBondContact O-N 3.45Å; S158-R161 PolarHBondContact O-N 3.37Å; S158-Y162 PolarHBondContact O-N 3.15Å; S158-Y162 VanDerWaalsContact O-N 3.08Å |
| 159 | T | 95.9 | Very high | 95.5 | Very high | 79 Ų | 79 | 120.3 Ų | 120.3 | 49% | 0.485 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 178.5 | -53.8 | 0 | 0 | 0 | 0 | 111.2 | E155 S156 R161 Y162 L163 | E155-T159 WeakPolarHBondContact O-CB 3.45Å; E155-T159 PolarHBondContact O-N 2.88Å; E155-T159 PolarHBondContact O-OG1 3Å; S156-T159 PolarHBondContact O-N 2.96Å; T159-R161 PolarHBondContact O-N 3.19Å; T159-Y162 WeakPolarHBondContact O-CB 3.33Å; T159-Y162 PolarHBondContact O-N 3.47Å; T159-L163 HydrophobicContact CG2-CD1 4.25Å; T159-L163 WeakPolarHBondContact O-CG 3.3Å; T159-L163 PolarHBondContact O-N 3.16Å |
| 160 | Q | 95.6 | Very high | 94.7 | Very high | 108 Ų | 108 | 125.5 Ų | 125.5 | 51% | 0.505 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60 | -47.1 | 177.4 | -174.3 | 173.1 | 1.6 | 0 | 0 | 111.6 | S156 Y162 L163 D164 | S156-Q160 WeakPolarHBondContact O-CB 3.32Å; S156-Q160 PolarHBondContact O-N 3.08Å; Q160-Y162 VanDerWaalsContact C-N 3.27Å; Q160-Y162 PolarHBondContact O-N 3.04Å; Q160-L163 PolarHBondContact O-N 3.49Å; Q160-D164 WeakPolarHBondContact O-CB 3.43Å; Q160-D164 VanDerWaalsContact O-CG 3.25Å; Q160-D164 PolarHBondContact O-N 3.25Å |
| 161 | R | 94.9 | Very high | 93.6 | Very high | 178 Ų | 178 | 128.1 Ų | 128.1 | 67% | 0.672 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -58.9 | -38.3 | 175.8 | -75.4 | 177.1 | 176.7 | -175.9 | -1.1 | 112.7 | L157 S158 T159 K165 | L157-R161 WeakPolarHBondContact O-CB 3.44Å; L157-R161 VanDerWaalsContact O-CG 3.3Å; L157-R161 WeakPolarHBondContact O-CG 3.49Å; L157-R161 PolarHBondContact O-N 3.41Å; S158-R161 PolarHBondContact O-N 3.37Å; T159-R161 PolarHBondContact O-N 3.19Å; R161-K165 WeakPolarHBondContact O-CG 3.41Å; R161-K165 PolarHBondContact O-N 3.28Å; R161-K165 VanDerWaalsContact O-N 3.09Å |
| 162 | Y | 95.3 | Very high | 92.1 | Very high | 137 Ų | 137 | 124.9 Ų | 124.9 | 54% | 0.537 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.9 | -47.7 | 175.8 | 172.9 | -98.1 | 0 | 0 | 0 | 111.6 | S158 T159 Q160 D164 K165 Q166 | S158-Y162 PolarHBondContact O-N 3.15Å; S158-Y162 VanDerWaalsContact O-N 3.08Å; T159-Y162 WeakPolarHBondContact O-CB 3.33Å; T159-Y162 PolarHBondContact O-N 3.47Å; Q160-Y162 VanDerWaalsContact C-N 3.27Å; Q160-Y162 PolarHBondContact O-N 3.04Å; Y162-D164 VanDerWaalsContact C-N 3.33Å; Y162-D164 PolarHBondContact O-N 3.45Å; Y162-K165 WeakPolarHBondContact O-CB 3.49Å; Y162-K165 PolarHBondContact O-N 3.09Å; Y162-Q166 VanDerWaalsContact CE1-CD 3.46Å; Y162-Q166 HydrophobicContact CE1-CG 4.08Å; Y162-Q166 HydrophobicContact CE2-CG 4.44Å; Y162-Q166 PolarHBondContact O-N 3.31Å; Y162-Q166 PolarHBondContact OH-NE2 3.01Å |
| 163 | L | 95.5 | Very high | 90 | Very high | 74 Ų | 74 | 124.6 Ų | 124.6 | 39% | 0.387 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.9 | -40.4 | 177.5 | -67.5 | 173.9 | 0 | 0 | 0 | 112 | T159 Q160 Q166 R167 | T159-L163 HydrophobicContact CG2-CD1 4.25Å; T159-L163 WeakPolarHBondContact O-CG 3.3Å; T159-L163 PolarHBondContact O-N 3.16Å; Q160-L163 PolarHBondContact O-N 3.49Å; L163-Q166 PolarHBondContact O-N 3.01Å; L163-R167 WeakPolarHBondContact O-CG 3.39Å; L163-R167 PolarHBondContact O-N 3.22Å |
| 164 | D | 95.6 | Very high | 89.6 | Confident | 57 Ų | 57 | 122.1 Ų | 122.1 | 31% | 0.305 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.4 | -40.6 | 177.7 | -68 | -25.2 | 0 | 0 | 0 | 111.5 | Q160 Y162 Q166 R167 L168 | Q160-D164 WeakPolarHBondContact O-CB 3.43Å; Q160-D164 VanDerWaalsContact O-CG 3.25Å; Q160-D164 PolarHBondContact O-N 3.25Å; Y162-D164 VanDerWaalsContact C-N 3.33Å; Y162-D164 PolarHBondContact O-N 3.45Å; D164-Q166 PolarHBondContact O-N 2.93Å; D164-R167 PolarHBondContact O-N 3.42Å; D164-R167 IonicContact OD1-NH1 3.94Å; D164-R167 PolarHBondContact OD1-NH1 3.41Å; D164-R167 VanDerWaalsContact OD1-NH1 3.12Å; D164-L168 WeakPolarHBondContact O-CG 3.21Å; D164-L168 PolarHBondContact O-N 3.29Å |
| 165 | K | 94.9 | Very high | 89.2 | Confident | 134 Ų | 134 | 118.3 Ų | 118.3 | 58% | 0.583 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -59.1 | -46.7 | 171.3 | -74.6 | 176.4 | 179.9 | -172.7 | 0 | 111.6 | R161 Y162 R167 L168 F169 | R161-K165 WeakPolarHBondContact O-CG 3.41Å; R161-K165 PolarHBondContact O-N 3.28Å; R161-K165 VanDerWaalsContact O-N 3.09Å; Y162-K165 WeakPolarHBondContact O-CB 3.49Å; Y162-K165 PolarHBondContact O-N 3.09Å; K165-R167 VanDerWaalsContact C-N 3.32Å; K165-R167 PolarHBondContact O-N 3.44Å; K165-L168 PolarHBondContact O-N 2.86Å; K165-F169 WeakPolarHBondContact O-CD2 3.35Å; K165-F169 PolarHBondContact O-N 3.18Å |
| 166 | Q | 93.4 | Very high | 88.8 | Confident | 93 Ų | 93 | 118.6 Ų | 118.6 | 44% | 0.435 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.4 | -40.8 | 177.6 | -74.7 | -166.4 | -41.6 | 0 | 0 | 112.4 | Y162 L163 D164 F169 R170 | Y162-Q166 VanDerWaalsContact CE1-CD 3.46Å; Y162-Q166 HydrophobicContact CE1-CG 4.08Å; Y162-Q166 HydrophobicContact CE2-CG 4.44Å; Y162-Q166 PolarHBondContact O-N 3.31Å; Y162-Q166 PolarHBondContact OH-NE2 3.01Å; L163-Q166 PolarHBondContact O-N 3.01Å; D164-Q166 PolarHBondContact O-N 2.93Å; Q166-F169 PolarHBondContact O-N 3.29Å; Q166-R170 WeakPolarHBondContact O-CB 3.48Å; Q166-R170 PolarHBondContact O-N 3.12Å |
| 167 | R | 93.9 | Very high | 88.4 | Confident | 154 Ų | 154 | 121.8 Ų | 121.8 | 58% | 0.581 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -60.9 | -44.6 | 174.9 | -72.2 | 170.4 | -179.5 | 165.2 | -6.4 | 111.6 | L163 D164 K165 R170 H171 | L163-R167 WeakPolarHBondContact O-CG 3.39Å; L163-R167 PolarHBondContact O-N 3.22Å; D164-R167 PolarHBondContact O-N 3.42Å; D164-R167 IonicContact OD1-NH1 3.94Å; D164-R167 PolarHBondContact OD1-NH1 3.41Å; D164-R167 VanDerWaalsContact OD1-NH1 3.12Å; K165-R167 VanDerWaalsContact C-N 3.32Å; K165-R167 PolarHBondContact O-N 3.44Å; R167-R170 PolarHBondContact O-N 3.41Å; R167-H171 PolarHBondContact O-CD2 2.99Å; R167-H171 PolarHBondContact O-N 3.2Å; R167-H171 VanDerWaalsContact O-N 3.12Å |
| 168 | L | 91.6 | Very high | 87.9 | Confident | 124 Ų | 124 | 124.3 Ų | 124.3 | 65% | 0.649 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.1 | -44.4 | 178.3 | -69.2 | 170 | 0 | 0 | 0 | 112.2 | D164 K165 R170 H171 S172 | D164-L168 WeakPolarHBondContact O-CG 3.21Å; D164-L168 PolarHBondContact O-N 3.29Å; K165-L168 PolarHBondContact O-N 2.86Å; L168-R170 VanDerWaalsContact C-N 3.3Å; L168-R170 PolarHBondContact O-N 3.27Å; L168-H171 PolarHBondContact O-N 2.71Å; L168-S172 PolarHBondContact O-N 3.21Å; L168-S172 PolarHBondContact O-OG 3.32Å |
| 169 | F | 88.4 | Confident | 87.4 | Confident | 155 Ų | 155 | 127.4 Ų | 127.4 | 68% | 0.68 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -60.9 | -37.9 | 174.9 | -84.9 | -70.1 | 0 | 0 | 0 | 112.5 | K165 Q166 H171 S172 | K165-F169 WeakPolarHBondContact O-CD2 3.35Å; K165-F169 PolarHBondContact O-N 3.18Å; Q166-F169 PolarHBondContact O-N 3.29Å; F169-H171 VanDerWaalsContact C-N 3.34Å; F169-S172 WeakPolarHBondContact CA-OG 3.43Å; F169-S172 PolarHBondContact O-N 3.01Å; F169-S172 PolarHBondContact O-OG 3.12Å |
| 170 | R | 82.8 | Confident | 86.8 | Confident | 216 Ų | 216 | 130.9 Ų | 130.9 | 82% | 0.815 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -76.1 | -20 | -178.6 | -151.3 | 177.9 | -171.4 | -165.8 | 2.2 | 113.9 | Q166 R167 L168 | Q166-R170 WeakPolarHBondContact O-CB 3.48Å; Q166-R170 PolarHBondContact O-N 3.12Å; R167-R170 PolarHBondContact O-N 3.41Å; L168-R170 VanDerWaalsContact C-N 3.3Å; L168-R170 PolarHBondContact O-N 3.27Å |
| 171 | H | 73.2 | Confident | 86.1 | Confident | 166 Ų | 166 | 132.6 Ų | 132.6 | 77% | 0.769 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -90.6 | -9.8 | 174.3 | -82.3 | -67.9 | 0 | 0 | 0 | 113.5 | R167 L168 F169 | R167-H171 PolarHBondContact O-CD2 2.99Å; R167-H171 PolarHBondContact O-N 3.2Å; R167-H171 VanDerWaalsContact O-N 3.12Å; L168-H171 PolarHBondContact O-N 2.71Å; F169-H171 VanDerWaalsContact C-N 3.34Å |
| 172 | S | 65.9 | Low | 85.4 | Confident | 95 Ų | 95 | 128.8 Ų | 128.8 | 66% | 0.664 | 63% | 0.631 | S | S | * | * | trans | -106.7 | 0.4 | -178.8 | 41.6 | 0 | 0 | 0 | 0 | 113.9 | L168 F169 | L168-S172 PolarHBondContact O-N 3.21Å; L168-S172 PolarHBondContact O-OG 3.32Å; F169-S172 WeakPolarHBondContact CA-OG 3.43Å; F169-S172 PolarHBondContact O-N 3.01Å; F169-S172 PolarHBondContact O-OG 3.12Å | ||
| 173 | A | 54 | Low | 84.5 | Confident | 141 Ų | 141 | 128.1 Ų | 128.1 | 100% | 1.165 | 64% | 0.639 | S | S | * | * | trans | -109.5 | 0 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.4 |
Retrieved 173 of 173 residues in 164.6 ms
(Link to these results)